A0A5K4F3S4_SCHMA Loading...

Pericentrin, putative

AlphaFold DB , UniProt , Accession A0A5K4F3S4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,578 aa.

>A0A5K4F3S4_SCHMA|A0A5K4F3S4
MEVVYHELSAGKDTSLSQVLSEWSRRYEEKYAALQLRFSGLFSGENYGITNTSRPRSGDVRQPSYNELLEEIQSALQLKANLSVELEALQQIRSELEDSECMSEVHFRLERATENNRRLHAALQAADEQITELVLSKRLLEAQMNELRNSRDAELVEAKERVRAAERAVIAATRSVNSCKPVSEKDKQAHSREPGILGHQNVISNPSQTFMPLAFKKPLQNHSRNYTTLTAFSYDDFDSLDEDTDDETDKHLSEMTAAVDLGENNLDLLVENKESNVEAEKEISTAANNDADIRHNQECPMESSMEDNVFSKDMDNVTSSSSPSFVGEVLDSVSPALSSTPRKSLPNETVVTPFSCANLSDLTNDVLGWNSDLKTTPYIKQEEEKEVNEVVSKVDYLRLLDEMEELRQELDLLRQNAQLSQLSHNNNISKPVINNRMHLTSDNPGLTTQLLELKDELVSISNEPSSQKPSSLLPALPPGSTRLYDWSLNKSDLQLENEMSANKSSDSETSTDKLTPVPISLSPCDHCVELQAKIMAYEAIHAAQEDFLTEKIIEQSILNTEAGTQCDETLQEVDNNTTENYKLLHIPNNDIFTQIDPEVKNVLSHSVCLQTEPNLTMNDDDQIKNYTVCLEFYHKMILSIIDASTKLKHELTAHINDQNSWMNNDLLLDYAMKHSEQDRENELKVQLLNDYLNECDHLLVTNVISDTKYLDHFRTDCKSLTSIFGQLLPEIDRLLTLCKIGCEKLIRSTDTSRLNQVDVDIENCELVRNLREQLLTAHQLLTEKLPVETKIALLETSQIVETERIQLQAEMDRRLSEFERNHTASLVELETSRHDLMQQLDEMELINRELKNEIFSVQQKLQAKEKFLNEQTEERELEREEFRIELNRLKSELEMKKSQMMSYKLLDTSDTDSCTTPLNIKETGQNNFVPHWISDLKMGHLCQNDTIKSNIQTLVQSKSWDIVSWNKPNDSDEDMISGNINNKRSQNQYKYVDQQNDWQPYTIPTISEHSNFVDSVTNTSGNYDIQNYPDEIDTKQVKVIDDSNAYIQQHQVNLCDACTQVEVITFDKFVEATIDSVDMEVQVAIDDEVKNLETMNSHEQLNLVQSSPKDNTNHSDNTRYSNQPTRTTKTITRSRTWNTTSAAAVLSHIVVKEEEEESIVTVVDESDTRNDSKINNNNNNQKFYQDQIEKCKLEISNLRKQLDRINTCHKEMEQTKQSLEFMQHKQDKGIQTMVFCQNLSNDIKLKTSLTHHMSSSIHRMHHHSLPALFSPSFSSNNEDTGVEMSQGLLDLESIESISPPTAKSPIIQDLILMGHEKCSSPEDENLQTLMGSPISDKDDELENEIPEIMLSSEHLDTTPSLCVSENACCKTDSVDSDPQTVCAISNDDVENPGAVVPLSEVSTLIEQLMDSEVLIKTLRNEISGLTKYQIELQHDYDTVHEMLVERQNDLTRVTEQLLETENKCKSLSKQLLERKDVILERDEDIFLLSEDKKSLEIKVTQLELEIEELKTQVKYIDRDKLMSSAFVQTDLMNSRSLFSTKIVQTDDIPISLESQPSVYSDPSKNVNLNILYDRKNFHPNIEQEHIHQIWATSTPKEEESPNSTFLSSENDTLSGAVSSELNNLSNRLREESVRLATATAIATARQSICDRPGSILINKTNDNEETTIKVECNECAPWIIEIRNSYGDLKEAVNEVAKIIHNNPWINEDQYKLEDSEETMRMFMNRLLVSLTKALDTDEKLWISVITSSINQTCDILRSRTSSVPNLALQLPTENILCQIIQHLTERVSAFMRREDEFRKCLIDVLHVEEASFKSELKTYVNRSDALVGEMNRLTKVVSSLSEQLNHANNRTNEVQGQLHDLQVDLVHTQNELQLKEDEVQRQRTDVEQLRLQLCEENTQTERFRTELETLQSAKVQAENELSSSNNLIQELKISLTNEKNRAQSLKIELDQLYDQIRKNTYQTTPTPNNNNNAIGGNMTTTNENKAPNDCSSNLNPRVYEAINLATTQLASTRRDTIKLQNQVKELQATAHSLRLNIAEAELRLMPTLTSVLPGTFNLSGINNTSQSSMIKQSAAKKKSLVYGDQSALTSAKFTKLKNVCVDLLSRVGVDERDDDDLQKGDDNDDHNSDSHSSDDDSIEENIFIGSGIINSLNRDGGYRIDAERDESSLNNGNNNCDILNKGSCRSNKATNRRSTDTLNNSLQSTSNSHVKTVNVLNSNKIHNSVQTFPIMTTNVISSSPNAHINQTVSMEQYFSLYVRFLRAQSYRRSLSFQKHYLLLLLGNFQYAENVVVAILGCPESRVTSQTDSKDRSSQVNLSPLRRFRTIGRVVQVIHRMKHLVNKWRRLDIPSMESTPINNKILYMHTNTPTSYYAPPFQHRSFSSTLDRSNQTNRIPNGSLRIPLKELHAEESNNIYSSALQNSSLFNGKQYLSNYPVHTPRLSHIQTSPSGYSSLLENQTISTGSSHRRQPHSSFNLSTTTSAVNSTGIPISRQFPITCIPINKSNFSYDRSFTRNSHQQSSSSSSSLSIENRHRVSSVSSSIFCRVDSIQTQTVRTSSHSHHSRNQIISTNKRPSYS
Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   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
1M50.5Low66Low207 Ų20791 Ų91100%1.0252%0.519SS*.  0-45.50-163.3165.5-81.600110.2V3 V4 Y5M1-V3 VanDerWaalsContact C-N 3.3Å; M1-V3 PolarHBondContact O-N 3.31Å; M1-V4 WeakPolarHBondContact O-CA 3.43Å; M1-V4 WeakPolarHBondContact O-CB 3.44Å; M1-V4 PolarHBondContact O-N 2.68Å; M1-Y5 PolarHBondContact O-N 2.92Å
2E57.4Low66.8Low149 Ų14990.4 Ų90.470%0.69651%0.506SS*.Hα-helixtrans-51-39.7175.8-63.5160.413100114.7V4 Y5 H6E2-V4 VanDerWaalsContact C-N 3.27Å; E2-V4 PolarHBondContact O-N 3.21Å; E2-Y5 CarbonylContact O-C 3.58Å; E2-Y5 WeakPolarHBondContact O-CA 3.07Å; E2-Y5 WeakPolarHBondContact O-CB 3.43Å; E2-Y5 PolarHBondContact O-N 2.97Å; E2-H6 PolarHBondContact O-CD2 2.64Å; E2-H6 PolarHBondContact O-N 3.46Å
3V72.6Confident67.9Low93 Ų9390.9 Ų90.956%0.56451%0.507SS*.Hα-helixtrans-57.2-40.3174.9-178.20000112.1M1 H6 E7M1-V3 VanDerWaalsContact C-N 3.3Å; M1-V3 PolarHBondContact O-N 3.31Å; V3-H6 PolarHBondContact O-N 3.32Å; V3-E7 WeakPolarHBondContact O-CB 3.25Å; V3-E7 WeakPolarHBondContact O-CG 3.08Å; V3-E7 PolarHBondContact O-N 3.36Å
4V72.6Confident68.9Low30 Ų3090.4 Ų90.418%0.18251%0.507CS..Hα-helixtrans-69.4-36.4176.7-179.90000110.9M1 E2 L8 S15 L16M1-V4 WeakPolarHBondContact O-CA 3.43Å; M1-V4 WeakPolarHBondContact O-CB 3.44Å; M1-V4 PolarHBondContact O-N 2.68Å; E2-V4 VanDerWaalsContact C-N 3.27Å; E2-V4 PolarHBondContact O-N 3.21Å; V4-L8 HydrophobicContact CG1-CD1 3.81Å; V4-L8 HydrophobicContact CG1-CG 4.31Å; V4-L8 VanDerWaalsContact O-CB 3.28Å; V4-L8 WeakPolarHBondContact O-CB 3.46Å; V4-L8 WeakPolarHBondContact O-CG 3.3Å; V4-L8 PolarHBondContact O-N 2.96Å; V4-S15 WeakPolarHBondContact CA-OG 3.26Å; V4-L16 HydrophobicContact CG1-CB 3.99Å; V4-L16 HydrophobicContact CG1-CD1 4.18Å
5Y56.9Low69.4Low61 Ų6184.9 Ų84.924%0.23948%0.478CS..Hα-helixtrans-67-44.9174.4172.5-99.6000112.3M1 E2 L8 S9 L109M1-Y5 PolarHBondContact O-N 2.92Å; E2-Y5 CarbonylContact O-C 3.58Å; E2-Y5 WeakPolarHBondContact O-CA 3.07Å; E2-Y5 WeakPolarHBondContact O-CB 3.43Å; E2-Y5 PolarHBondContact O-N 2.97Å; Y5-L8 PolarHBondContact O-N 2.99Å; Y5-S9 WeakPolarHBondContact O-CB 3.33Å; Y5-S9 PolarHBondContact O-N 3.11Å; Y5-S9 PolarHBondContact O-OG 3.47Å; Y5-L109 HydrophobicContact CD2-CD2 4.19Å; Y5-L109 HydrophobicContact CE2-CD2 3.71Å; Y5-L109 HydrophobicContact CE2-CG 3.88Å
6H70.8Confident69.7Low116 Ų11683 Ų8354%0.53747%0.465SS..Hα-helixtrans-67.1-36.4177.4-82.1-61.7000113.1E2 V3 S9 A10E2-H6 PolarHBondContact O-CD2 2.64Å; E2-H6 PolarHBondContact O-N 3.46Å; V3-H6 PolarHBondContact O-N 3.32Å; H6-S9 WeakPolarHBondContact CA-OG 3.09Å; H6-S9 PolarHBondContact O-OG 2.73Å; H6-A10 WeakPolarHBondContact O-CB 3.15Å; H6-A10 PolarHBondContact O-N 2.69Å
7E72.9Confident70.2Confident47 Ų4780.8 Ų80.822%0.2246%0.456CS..Hα-helixtrans-71.3-46.4173.6-74.8-175.3-172.300111.7V3 S9 A10 G11 K12 T14 S15V3-E7 WeakPolarHBondContact O-CB 3.25Å; V3-E7 WeakPolarHBondContact O-CG 3.08Å; V3-E7 PolarHBondContact O-N 3.36Å; E7-S9 VanDerWaalsContact C-N 3.32Å; E7-S9 PolarHBondContact O-N 3.16Å; E7-A10 CarbonylContact O-C 3.57Å; E7-A10 VanDerWaalsContact O-C 3.27Å; E7-A10 WeakPolarHBondContact O-CA 3.19Å; E7-A10 PolarHBondContact O-N 3.4Å; E7-G11 PolarHBondContact O-N 3.47Å; E7-K12 CarbonylContact C-O 3.57Å; E7-K12 HydrophobicContact CB-CB 3.96Å; E7-K12 WeakPolarHBondContact CB-O 3.06Å; E7-K12 HydrophobicContact CG-CB 4.32Å; E7-K12 PolarHBondContact O-N 3.49Å; E7-T14 VanDerWaalsContact CD-OG1 3.24Å; E7-T14 WeakPolarHBondContact OE2-CB 3.26Å; E7-T14 PolarHBondContact OE2-OG1 3.22Å; E7-S15 WeakPolarHBondContact OE2-CA 3.44Å; E7-S15 WeakPolarHBondContact OE2-CB 3.28Å; E7-S15 PolarHBondContact OE2-N 2.86Å; E7-S15 PolarHBondContact OE2-OG 3.34Å
8L69.1Low70.7Confident92 Ų9283.8 Ų83.848%0.48247%0.466SS..Hα-helixtrans-62.1-37.7178.9-73172.8000112.6V4 Y5 A10 G11 K12 L16V4-L8 HydrophobicContact CG1-CD1 3.81Å; V4-L8 HydrophobicContact CG1-CG 4.31Å; V4-L8 VanDerWaalsContact O-CB 3.28Å; V4-L8 WeakPolarHBondContact O-CB 3.46Å; V4-L8 WeakPolarHBondContact O-CG 3.3Å; V4-L8 PolarHBondContact O-N 2.96Å; Y5-L8 PolarHBondContact O-N 2.99Å; L8-A10 VanDerWaalsContact C-N 3.35Å; L8-G11 PolarHBondContact O-N 2.75Å; L8-K12 PolarHBondContact N-O 2.98Å; L8-L16 HydrophobicContact CD1-CD2 4.41Å; L8-L16 HydrophobicContact CD2-CD2 4.11Å
9S65.8Low70.9Confident66 Ų6684 Ų8446%0.46247%0.47SS..Hα-helixtrans-70.4-28.7172.250.70000113.1Y5 H6 E7 G11Y5-S9 WeakPolarHBondContact O-CB 3.33Å; Y5-S9 PolarHBondContact O-N 3.11Å; Y5-S9 PolarHBondContact O-OG 3.47Å; H6-S9 WeakPolarHBondContact CA-OG 3.09Å; H6-S9 PolarHBondContact O-OG 2.73Å; E7-S9 VanDerWaalsContact C-N 3.32Å; E7-S9 PolarHBondContact O-N 3.16Å; S9-G11 VanDerWaalsContact C-N 3.26Å; S9-G11 PolarHBondContact O-N 2.98Å
10A72.9Confident71Confident67 Ų6784.5 Ų84.555%0.55447%0.471SS*.THydrogen-bonded Turntrans-82.58.1169.200000114.2H6 E7 L8 K12H6-A10 WeakPolarHBondContact O-CB 3.15Å; H6-A10 PolarHBondContact O-N 2.69Å; E7-A10 CarbonylContact O-C 3.57Å; E7-A10 VanDerWaalsContact O-C 3.27Å; E7-A10 WeakPolarHBondContact O-CA 3.19Å; E7-A10 PolarHBondContact O-N 3.4Å; L8-A10 VanDerWaalsContact C-N 3.35Å; A10-K12 VanDerWaalsContact C-N 3.27Å; A10-K12 PolarHBondContact O-N 2.79Å
11G64.1Low71.3Confident73 Ų7384.1 Ų84.175%0.75347%0.474SS*.THydrogen-bonded Turntrans70.815.8-179.500000115.2E7 L8 S9E7-G11 PolarHBondContact O-N 3.47Å; L8-G11 PolarHBondContact O-N 2.75Å; S9-G11 VanDerWaalsContact C-N 3.26Å; S9-G11 PolarHBondContact O-N 2.98Å
12K75.7Confident72.5Confident84 Ų8477.4 Ų77.437%0.36544%0.44SS..  trans-104.2135.8177.7-65.3173.1177.5176.80109.5E7 L8 A10 E650E7-K12 CarbonylContact C-O 3.57Å; E7-K12 HydrophobicContact CB-CB 3.96Å; E7-K12 WeakPolarHBondContact CB-O 3.06Å; E7-K12 HydrophobicContact CG-CB 4.32Å; E7-K12 PolarHBondContact O-N 3.49Å; L8-K12 PolarHBondContact N-O 2.98Å; A10-K12 VanDerWaalsContact C-N 3.27Å; A10-K12 PolarHBondContact O-N 2.79Å; K12-E650 IonicContact NZ-OE1 3.48Å; K12-E650 PolarHBondContact NZ-OE1 3.07Å; K12-E650 IonicContact NZ-OE2 3.77Å; K12-E650 PolarHBondContact NZ-OE2 3.08Å
13D81.1Confident73.1Confident97 Ų9775.2 Ų75.252%0.51943%0.426SS..  trans-106.55.5176.368.1-21.9000113.1S15 L16 S17D13-S15 PolarHBondContact O-N 2.69Å; D13-L16 CarbonylContact O-C 3.59Å; D13-L16 WeakPolarHBondContact O-CA 3.43Å; D13-L16 WeakPolarHBondContact O-CB 3.38Å; D13-L16 PolarHBondContact O-N 2.94Å; D13-L16 VanDerWaalsContact O-N 3.08Å; D13-S17 WeakPolarHBondContact O-CB 3.19Å; D13-S17 PolarHBondContact O-N 2.93Å; D13-S17 PolarHBondContact O-OG 2.83Å; D13-S17 VanDerWaalsContact O-OG 3.07Å
14T81.8Confident73Confident83 Ų8373.2 Ų73.251%0.50942%0.415SS..Hα-helixtrans-53-49-168.9270000115E7 S17 Q18E7-T14 VanDerWaalsContact CD-OG1 3.24Å; E7-T14 WeakPolarHBondContact OE2-CB 3.26Å; E7-T14 PolarHBondContact OE2-OG1 3.22Å; T14-S17 PolarHBondContact O-N 3.44Å; T14-Q18 WeakPolarHBondContact O-CB 3.22Å; T14-Q18 PolarHBondContact O-N 2.65Å
15S76.3Confident73.3Confident9 Ų976.6 Ų76.66%0.06343%0.425CS..Hα-helixtrans-77.5-29.4179.456.30000112.5V4 E7 D13 Q18 V19V4-S15 WeakPolarHBondContact CA-OG 3.26Å; E7-S15 WeakPolarHBondContact OE2-CA 3.44Å; E7-S15 WeakPolarHBondContact OE2-CB 3.28Å; E7-S15 PolarHBondContact OE2-N 2.86Å; E7-S15 PolarHBondContact OE2-OG 3.34Å; D13-S15 PolarHBondContact O-N 2.69Å; S15-Q18 PolarHBondContact O-N 2.84Å; S15-V19 WeakPolarHBondContact O-CB 3.47Å; S15-V19 VanDerWaalsContact O-CG2 3.26Å; S15-V19 WeakPolarHBondContact O-CG2 3.49Å; S15-V19 PolarHBondContact O-N 3.39Å
16L75Confident74.1Confident54 Ų5481 Ų8128%0.28344%0.441SS..Hα-helixtrans-63.6-48.7168.3-17962.2000109.7V4 L8 D13 Q18 V19 L20V4-L16 HydrophobicContact CG1-CB 3.99Å; V4-L16 HydrophobicContact CG1-CD1 4.18Å; L8-L16 HydrophobicContact CD1-CD2 4.41Å; L8-L16 HydrophobicContact CD2-CD2 4.11Å; D13-L16 CarbonylContact O-C 3.59Å; D13-L16 WeakPolarHBondContact O-CA 3.43Å; D13-L16 WeakPolarHBondContact O-CB 3.38Å; D13-L16 PolarHBondContact O-N 2.94Å; D13-L16 VanDerWaalsContact O-N 3.08Å; L16-Q18 VanDerWaalsContact C-N 3.33Å; L16-Q18 PolarHBondContact O-N 3.18Å; L16-V19 PolarHBondContact O-N 2.79Å; L16-L20 HydrophobicContact CD1-CD1 4.25Å; L16-L20 HydrophobicContact CD1-CG 4.41Å; L16-L20 HydrophobicContact CG-CD1 4Å; L16-L20 WeakPolarHBondContact O-CB 3.29Å; L16-L20 VanDerWaalsContact O-CG 3.26Å; L16-L20 WeakPolarHBondContact O-CG 3.48Å; L16-L20 PolarHBondContact O-N 3.38Å
17S77Confident73.9Confident45 Ų4580.7 Ų80.732%0.31544%0.436SS..Hα-helixtrans-62.7-36.6175.7-57.50000112.3D13 T14 S21D13-S17 WeakPolarHBondContact O-CB 3.19Å; D13-S17 PolarHBondContact O-N 2.93Å; D13-S17 PolarHBondContact O-OG 2.83Å; D13-S17 VanDerWaalsContact O-OG 3.07Å; T14-S17 PolarHBondContact O-N 3.44Å; S17-S21 VanDerWaalsContact O-CB 3.24Å; S17-S21 WeakPolarHBondContact O-CB 3.18Å; S17-S21 PolarHBondContact O-N 2.78Å; S17-S21 PolarHBondContact O-OG 2.67Å
18Q80.2Confident74Confident135 Ų13584.6 Ų84.663%0.63145%0.454SS*.Hα-helixtrans-67.7-44.4175-169.9178.610.400111.7T14 S15 L16 S21 E22T14-Q18 WeakPolarHBondContact O-CB 3.22Å; T14-Q18 PolarHBondContact O-N 2.65Å; S15-Q18 PolarHBondContact O-N 2.84Å; L16-Q18 VanDerWaalsContact C-N 3.33Å; L16-Q18 PolarHBondContact O-N 3.18Å; Q18-S21 PolarHBondContact O-N 2.87Å; Q18-E22 PolarHBondContact O-N 2.74Å
19V74.5Confident74.3Confident88 Ų8884.8 Ų84.853%0.53345%0.453SS..Hα-helixtrans-62.6-45.1174.9167.40000110.8S15 L16 S21 E22 W23S15-V19 WeakPolarHBondContact O-CB 3.47Å; S15-V19 VanDerWaalsContact O-CG2 3.26Å; S15-V19 WeakPolarHBondContact O-CG2 3.49Å; S15-V19 PolarHBondContact O-N 3.39Å; L16-V19 PolarHBondContact O-N 2.79Å; V19-S21 VanDerWaalsContact C-N 3.32Å; V19-S21 PolarHBondContact O-N 2.68Å; V19-E22 PolarHBondContact O-N 3.48Å; V19-W23 WeakPolarHBondContact O-CB 3.05Å; V19-W23 PolarHBondContact O-N 2.81Å
20L73Confident74.4Confident94 Ų9488 Ų8849%0.49246%0.458SS..Hα-helixtrans-63.1-36.4175.4-71.4171.2000112.2L16 S24L16-L20 HydrophobicContact CD1-CD1 4.25Å; L16-L20 HydrophobicContact CD1-CG 4.41Å; L16-L20 HydrophobicContact CG-CD1 4Å; L16-L20 WeakPolarHBondContact O-CB 3.29Å; L16-L20 VanDerWaalsContact O-CG 3.26Å; L16-L20 WeakPolarHBondContact O-CG 3.48Å; L16-L20 PolarHBondContact O-N 3.38Å; L20-S24 WeakPolarHBondContact O-CB 3.07Å; L20-S24 PolarHBondContact O-N 3.33Å
21S76.8Confident74.3Confident77 Ų7790.9 Ų90.954%0.53846%0.456SS..Hα-helixtrans-70.2-46.8177.1-61.10000112.2S17 Q18 V19 W23 S24 R25S17-S21 VanDerWaalsContact O-CB 3.24Å; S17-S21 WeakPolarHBondContact O-CB 3.18Å; S17-S21 PolarHBondContact O-N 2.78Å; S17-S21 PolarHBondContact O-OG 2.67Å; Q18-S21 PolarHBondContact O-N 2.87Å; V19-S21 VanDerWaalsContact C-N 3.32Å; V19-S21 PolarHBondContact O-N 2.68Å; S21-W23 VanDerWaalsContact C-N 3.31Å; S21-W23 PolarHBondContact O-N 2.7Å; S21-S24 PolarHBondContact O-N 2.78Å; S21-R25 WeakPolarHBondContact O-CB 3.24Å; S21-R25 PolarHBondContact O-N 3.46Å
22E75.7Confident74.8Confident65 Ų6589.4 Ų89.430%0.30444%0.437SS..Hα-helixtrans-62.2-38.7173.6-95.4-66.5108.900111.9Q18 V19 R25 R26Q18-E22 PolarHBondContact O-N 2.74Å; V19-E22 PolarHBondContact O-N 3.48Å; E22-R25 PolarHBondContact O-N 2.88Å; E22-R25 IonicContact OE1-CZ 3.68Å; E22-R25 IonicContact OE1-NE 3.72Å; E22-R25 PolarHBondContact OE1-NE 2.76Å; E22-R25 IonicContact OE1-NH2 3.94Å; E22-R25 PolarHBondContact OE1-NH2 3.09Å; E22-R25 IonicContact OE2-CZ 2.63Å; E22-R25 IonicContact OE2-NE 3.68Å; E22-R25 IonicContact OE2-NH2 2.84Å; E22-R25 PolarHBondContact OE2-NH2 2.78Å; E22-R26 WeakPolarHBondContact O-CB 3.2Å; E22-R26 VanDerWaalsContact O-CG 3.3Å; E22-R26 WeakPolarHBondContact O-CG 3.3Å; E22-R26 PolarHBondContact O-N 2.84Å; E22-R26 IonicContact OE2-CZ 2.7Å; E22-R26 IonicContact OE2-NE 3.55Å; E22-R26 PolarHBondContact OE2-NE 3.46Å; E22-R26 IonicContact OE2-NH2 3.6Å; E22-R26 PolarHBondContact OE2-NH2 2.83Å
23W69.5Low74.6Confident104 Ų10488 Ų8839%0.39444%0.44SS..Hα-helixtrans-66-44.9175.6179.589000111.7V19 S21 R25 R26 Y27 L82V19-W23 WeakPolarHBondContact O-CB 3.05Å; V19-W23 PolarHBondContact O-N 2.81Å; S21-W23 VanDerWaalsContact C-N 3.31Å; S21-W23 PolarHBondContact O-N 2.7Å; W23-R25 PolarHBondContact O-N 2.72Å; W23-R26 PolarHBondContact O-N 2.98Å; W23-Y27 VanDerWaalsContact O-CB 3.3Å; W23-Y27 WeakPolarHBondContact O-CB 3.32Å; W23-Y27 PolarHBondContact O-N 3.31Å; W23-L82 HydrophobicContact CZ2-CB 4.22Å; W23-L82 HydrophobicContact CZ2-CD1 3.85Å; W23-L82 HydrophobicContact CZ2-CD2 4.26Å; W23-L82 HydrophobicContact CZ2-CG 4.33Å; W23-L82 VanDerWaalsContact NE1-CD1 3.33Å
24S71.6Confident74Confident50 Ų5085.5 Ų85.535%0.3543%0.427SS..Hα-helixtrans-60.4-45174.2-162.40000111L20 S21 Y27 E28L20-S24 WeakPolarHBondContact O-CB 3.07Å; L20-S24 PolarHBondContact O-N 3.33Å; S21-S24 PolarHBondContact O-N 2.78Å; S24-Y27 PolarHBondContact O-N 3.49Å; S24-E28 WeakPolarHBondContact O-CB 3.4Å; S24-E28 WeakPolarHBondContact O-CG 3.23Å; S24-E28 PolarHBondContact O-N 3.45Å
25R79.3Confident73.5Confident102 Ų10286.5 Ų86.539%0.38543%0.426SS..Hα-helixtrans-58.7-50.3175.2-175.3-179.368.285-2.6111.7S21 E22 W23 Y27 E28 E29S21-R25 WeakPolarHBondContact O-CB 3.24Å; S21-R25 PolarHBondContact O-N 3.46Å; E22-R25 PolarHBondContact O-N 2.88Å; E22-R25 IonicContact OE1-CZ 3.68Å; E22-R25 IonicContact OE1-NE 3.72Å; E22-R25 PolarHBondContact OE1-NE 2.76Å; E22-R25 IonicContact OE1-NH2 3.94Å; E22-R25 PolarHBondContact OE1-NH2 3.09Å; E22-R25 IonicContact OE2-CZ 2.63Å; E22-R25 IonicContact OE2-NE 3.68Å; E22-R25 IonicContact OE2-NH2 2.84Å; E22-R25 PolarHBondContact OE2-NH2 2.78Å; W23-R25 PolarHBondContact O-N 2.72Å; R25-Y27 VanDerWaalsContact C-N 3.31Å; R25-Y27 PolarHBondContact O-N 2.92Å; R25-E28 PolarHBondContact O-N 3.18Å; R25-E29 HydrophobicContact CG-CG 4.45Å; R25-E29 WeakPolarHBondContact CG-OE1 3.15Å; R25-E29 IonicContact CZ-OE1 2.67Å; R25-E29 IonicContact NH1-OE1 3.25Å; R25-E29 PolarHBondContact NH1-OE1 3.33Å; R25-E29 IonicContact NH1-OE2 2.72Å; R25-E29 PolarHBondContact NH1-OE2 2.78Å; R25-E29 WeakPolarHBondContact O-CB 3.26Å; R25-E29 WeakPolarHBondContact O-CG 3.32Å; R25-E29 PolarHBondContact O-N 2.74Å
26R72.8Confident73.3Confident153 Ų15392.2 Ų92.258%0.57746%0.455SS*.Hα-helixtrans-67.2-30.4179.6-70.8177-172.1-141.30.6112.9E22 W23 K30E22-R26 WeakPolarHBondContact O-CB 3.2Å; E22-R26 VanDerWaalsContact O-CG 3.3Å; E22-R26 WeakPolarHBondContact O-CG 3.3Å; E22-R26 PolarHBondContact O-N 2.84Å; E22-R26 IonicContact OE2-CZ 2.7Å; E22-R26 IonicContact OE2-NE 3.55Å; E22-R26 PolarHBondContact OE2-NE 3.46Å; E22-R26 IonicContact OE2-NH2 3.6Å; E22-R26 PolarHBondContact OE2-NH2 2.83Å; W23-R26 PolarHBondContact O-N 2.98Å; R26-K30 WeakPolarHBondContact O-CB 3.47Å; R26-K30 WeakPolarHBondContact O-CG 3.24Å; R26-K30 PolarHBondContact O-N 3.14Å; R26-K30 VanDerWaalsContact O-N 3.1Å
27Y66.9Low72.9Confident109 Ų10995.9 Ų95.943%0.42747%0.465SS..Hα-helixtrans-68.5-48.5172.2-179.1-94.3000110.9W23 S24 R25 K30 Y31W23-Y27 VanDerWaalsContact O-CB 3.3Å; W23-Y27 WeakPolarHBondContact O-CB 3.32Å; W23-Y27 PolarHBondContact O-N 3.31Å; S24-Y27 PolarHBondContact O-N 3.49Å; R25-Y27 VanDerWaalsContact C-N 3.31Å; R25-Y27 PolarHBondContact O-N 2.92Å; Y27-K30 PolarHBondContact O-N 2.81Å; Y27-Y31 VanDerWaalsContact O-CB 3.25Å; Y27-Y31 WeakPolarHBondContact O-CB 3.48Å; Y27-Y31 PolarHBondContact O-N 2.74Å
28E74.1Confident72Confident130 Ų13096.8 Ų96.861%0.60746%0.463SS*.Hα-helixtrans-62.3-41175.7-75.4-175-176.500112.2S24 R25 Y31 A32S24-E28 WeakPolarHBondContact O-CB 3.4Å; S24-E28 WeakPolarHBondContact O-CG 3.23Å; S24-E28 PolarHBondContact O-N 3.45Å; R25-E28 PolarHBondContact O-N 3.18Å; E28-Y31 PolarHBondContact O-N 3.11Å; E28-A32 WeakPolarHBondContact O-CB 3.18Å; E28-A32 PolarHBondContact O-N 2.77Å
29E75.5Confident71.2Confident96 Ų9693.5 Ų93.545%0.44946%0.455SS..Hα-helixtrans-62.6-45.7175.6-77.6170.3-178.600112.1R25 A32 A33R25-E29 HydrophobicContact CG-CG 4.45Å; R25-E29 WeakPolarHBondContact CG-OE1 3.15Å; R25-E29 IonicContact CZ-OE1 2.67Å; R25-E29 IonicContact NH1-OE1 3.25Å; R25-E29 PolarHBondContact NH1-OE1 3.33Å; R25-E29 IonicContact NH1-OE2 2.72Å; R25-E29 PolarHBondContact NH1-OE2 2.78Å; R25-E29 WeakPolarHBondContact O-CB 3.26Å; R25-E29 WeakPolarHBondContact O-CG 3.32Å; R25-E29 PolarHBondContact O-N 2.74Å; E29-A32 PolarHBondContact O-N 2.78Å; E29-A33 VanDerWaalsContact O-CB 3.3Å; E29-A33 WeakPolarHBondContact O-CB 3.46Å; E29-A33 PolarHBondContact O-N 2.81Å
30K69Low70.3Confident133 Ų13391.9 Ų91.958%0.57846%0.457SS*.Hα-helixtrans-65.8-41.3174.7-77.3-173.6176.7-1750111.8R26 Y27 A33 L34 L78R26-K30 WeakPolarHBondContact O-CB 3.47Å; R26-K30 WeakPolarHBondContact O-CG 3.24Å; R26-K30 PolarHBondContact O-N 3.14Å; R26-K30 VanDerWaalsContact O-N 3.1Å; Y27-K30 PolarHBondContact O-N 2.81Å; K30-A33 PolarHBondContact O-N 2.76Å; K30-L34 WeakPolarHBondContact O-CB 3.17Å; K30-L34 PolarHBondContact O-N 2.74Å; K30-L78 HydrophobicContact CD-CD2 4.32Å
31Y69.6Low69.2Low128 Ų12891.6 Ų91.650%0.50246%0.455SS..Hα-helixtrans-65.2-42.1177.5-173.1-91.8000111.5Y27 E28 L34 Q35Y27-Y31 VanDerWaalsContact O-CB 3.25Å; Y27-Y31 WeakPolarHBondContact O-CB 3.48Å; Y27-Y31 PolarHBondContact O-N 2.74Å; E28-Y31 PolarHBondContact O-N 3.11Å; Y31-L34 WeakPolarHBondContact O-CB 3.36Å; Y31-L34 PolarHBondContact O-N 2.92Å; Y31-Q35 WeakPolarHBondContact O-CB 3.42Å; Y31-Q35 PolarHBondContact O-N 2.91Å
32A74.9Confident67.7Low42 Ų4295.8 Ų95.835%0.34746%0.464SS..Hα-helixtrans-67-39.917600000112.1E28 E29 Q35 L36E28-A32 WeakPolarHBondContact O-CB 3.18Å; E28-A32 PolarHBondContact O-N 2.77Å; E29-A32 PolarHBondContact O-N 2.78Å; A32-Q35 PolarHBondContact O-N 3.4Å; A32-L36 WeakPolarHBondContact O-CB 3.43Å; A32-L36 WeakPolarHBondContact O-CG 3.31Å; A32-L36 PolarHBondContact O-N 3.26Å
33A72.2Confident66.1Low53 Ų5397.6 Ų97.644%0.43848%0.483SS..Hα-helixtrans-63.1-42.8172.800000111.8E29 K30 L36 R37E29-A33 VanDerWaalsContact O-CB 3.3Å; E29-A33 WeakPolarHBondContact O-CB 3.46Å; E29-A33 PolarHBondContact O-N 2.81Å; K30-A33 PolarHBondContact O-N 2.76Å; A33-L36 PolarHBondContact O-N 3.36Å; A33-R37 PolarHBondContact O-N 3.19Å
34L67.8Low64.5Low46 Ų4695.7 Ų95.724%0.24150%0.496CS..Hα-helixtrans-63-45.2173.9-152.382.3000110.9K30 Y31 L36 R37 F38K30-L34 WeakPolarHBondContact O-CB 3.17Å; K30-L34 PolarHBondContact O-N 2.74Å; Y31-L34 WeakPolarHBondContact O-CB 3.36Å; Y31-L34 PolarHBondContact O-N 2.92Å; L34-L36 PolarHBondContact O-N 3.08Å; L34-R37 PolarHBondContact O-N 3.37Å; L34-F38 HydrophobicContact CD1-CE2 4.49Å; L34-F38 HydrophobicContact CD2-CD2 4.32Å; L34-F38 HydrophobicContact CD2-CE2 3.89Å; L34-F38 HydrophobicContact CG-CD2 3.95Å; L34-F38 HydrophobicContact CG-CE2 3.77Å; L34-F38 WeakPolarHBondContact O-CB 3.03Å; L34-F38 VanDerWaalsContact O-CD2 3.26Å; L34-F38 WeakPolarHBondContact O-CD2 3.49Å; L34-F38 PolarHBondContact O-N 2.96Å
35Q71.2Confident62.8Low104 Ų104101.7 Ų101.749%0.48652%0.519SS..Hα-helixtrans-66.9-33.6179.3-170.1174.615.400112.2Y31 A32 S39Y31-Q35 WeakPolarHBondContact O-CB 3.42Å; Y31-Q35 PolarHBondContact O-N 2.91Å; A32-Q35 PolarHBondContact O-N 3.4Å; Q35-S39 WeakPolarHBondContact O-CB 3.22Å; Q35-S39 PolarHBondContact O-N 3.47Å; Q35-S39 PolarHBondContact O-OG 2.79Å
36L73.1Confident60.8Low128 Ų128104.4 Ų104.467%0.6754%0.541SS*.Hα-helixtrans-67.6-46.2171.5-81.2164.4000111.4A32 A33 L34 S39 G40A32-L36 WeakPolarHBondContact O-CB 3.43Å; A32-L36 WeakPolarHBondContact O-CG 3.31Å; A32-L36 PolarHBondContact O-N 3.26Å; A33-L36 PolarHBondContact O-N 3.36Å; L34-L36 PolarHBondContact O-N 3.08Å; L36-S39 PolarHBondContact O-N 3.1Å; L36-G40 PolarHBondContact O-N 3.09Å
37R65.7Low58.9Low131 Ų131108.3 Ų108.349%0.49456%0.557SS.*Hα-helixtrans-60.1-46.1174-76.9-171.8172.9-162.33.9111.8A33 L34 G40 L41 E71A33-R37 PolarHBondContact O-N 3.19Å; L34-R37 PolarHBondContact O-N 3.37Å; R37-G40 PolarHBondContact O-N 3.33Å; R37-L41 WeakPolarHBondContact O-CG 3.4Å; R37-L41 PolarHBondContact O-N 2.82Å; R37-L41 VanDerWaalsContact O-N 3.15Å; R37-E71 IonicContact CZ-OE1 2.94Å; R37-E71 IonicContact CZ-OE2 2.75Å; R37-E71 IonicContact NH1-OE1 3.83Å; R37-E71 PolarHBondContact NH1-OE1 3.24Å; R37-E71 IonicContact NH1-OE2 3.16Å; R37-E71 PolarHBondContact NH1-OE2 3.34Å; R37-E71 IonicContact NH2-OE1 2.65Å
38F59.4Low57.2Low64 Ų64106 Ų10628%0.28157%0.567SS.*Hα-helixtrans-66-36.6175-81.7-61.2000113.1L34 G40 L41 F42 L68 I72L34-F38 HydrophobicContact CD1-CE2 4.49Å; L34-F38 HydrophobicContact CD2-CD2 4.32Å; L34-F38 HydrophobicContact CD2-CE2 3.89Å; L34-F38 HydrophobicContact CG-CD2 3.95Å; L34-F38 HydrophobicContact CG-CE2 3.77Å; L34-F38 WeakPolarHBondContact O-CB 3.03Å; L34-F38 VanDerWaalsContact O-CD2 3.26Å; L34-F38 WeakPolarHBondContact O-CD2 3.49Å; L34-F38 PolarHBondContact O-N 2.96Å; F38-G40 VanDerWaalsContact C-N 3.29Å; F38-G40 PolarHBondContact O-N 2.74Å; F38-L41 HydrophobicContact CD1-CD1 4.13Å; F38-L41 HydrophobicContact CE1-CD1 4.46Å; F38-L41 PolarHBondContact O-N 3.35Å; F38-F42 HydrophobicContact CB-CD2 4.47Å; F38-F42 HydrophobicContact CD1-CD2 4.43Å; F38-F42 AromaticContact CD1-CE2 3.96Å; F38-F42 HydrophobicContact CD1-CE2 3.96Å; F38-F42 WeakPolarHBondContact O-CD2 3.49Å; F38-F42 PolarHBondContact O-N 2.93Å; F38-L68 HydrophobicContact CZ-CD1 4.48Å; F38-I72 HydrophobicContact CZ-CD1 3.95Å; F38-I72 HydrophobicContact CZ-CG1 4.18Å
39S62.9Low55.2Low66 Ų66107.3 Ų107.346%0.46258%0.576SS.*Hα-helixtrans-62.4-38174.9-63.40000111.6Q35 L36 L41 F42 S43Q35-S39 WeakPolarHBondContact O-CB 3.22Å; Q35-S39 PolarHBondContact O-N 3.47Å; Q35-S39 PolarHBondContact O-OG 2.79Å; L36-S39 PolarHBondContact O-N 3.1Å; S39-L41 VanDerWaalsContact C-N 3.31Å; S39-L41 PolarHBondContact O-N 3.45Å; S39-F42 PolarHBondContact O-N 2.99Å; S39-S43 WeakPolarHBondContact O-CB 3.13Å; S39-S43 PolarHBondContact O-N 2.83Å; S39-S43 PolarHBondContact O-OG 3.34Å
40G54.6Low53.1Low55 Ų55108.2 Ų108.257%0.56759%0.588SS**Hα-helixtrans-68.9-23.8172.400000114.7L36 R37 F38L36-G40 PolarHBondContact O-N 3.09Å; R37-G40 PolarHBondContact O-N 3.33Å; F38-G40 VanDerWaalsContact C-N 3.29Å; F38-G40 PolarHBondContact O-N 2.74Å
41L49.8Very low51.3Low87 Ų87108.7 Ų108.746%0.45560%0.597SS.*Hα-helixtrans-82.8-32.8173.6-70.9168.8000112.7R37 F38 S39 L68R37-L41 WeakPolarHBondContact O-CG 3.4Å; R37-L41 PolarHBondContact O-N 2.82Å; R37-L41 VanDerWaalsContact O-N 3.15Å; F38-L41 HydrophobicContact CD1-CD1 4.13Å; F38-L41 HydrophobicContact CE1-CD1 4.46Å; F38-L41 PolarHBondContact O-N 3.35Å; S39-L41 VanDerWaalsContact C-N 3.31Å; S39-L41 PolarHBondContact O-N 3.45Å; L41-L68 HydrophobicContact CD1-CD1 4.23Å; L41-L68 HydrophobicContact CD1-CD2 4.13Å
42F46Very low49.6Very low166 Ų166109 Ų10973%0.72861%0.613SS**Hα-helixtrans-96.5-7.9-178.2-73.5-69000114.9F38 S39 G44F38-F42 HydrophobicContact CB-CD2 4.47Å; F38-F42 HydrophobicContact CD1-CD2 4.43Å; F38-F42 AromaticContact CD1-CE2 3.96Å; F38-F42 HydrophobicContact CD1-CE2 3.96Å; F38-F42 WeakPolarHBondContact O-CD2 3.49Å; F38-F42 PolarHBondContact O-N 2.93Å; S39-F42 PolarHBondContact O-N 2.99Å; F42-G44 PolarHBondContact O-N 3.41Å
43S42.8Very low47.6Very low102 Ų102112.8 Ų112.871%0.71364%0.637SS**THydrogen-bonded Turntrans-74.846.4169.267.30000112.8S39S39-S43 WeakPolarHBondContact O-CB 3.13Å; S39-S43 PolarHBondContact O-N 2.83Å; S39-S43 PolarHBondContact O-OG 3.34Å
44G34.8Very low45.7Very low64 Ų64119.1 Ų119.166%0.6665%0.649SS**THydrogen-bonded Turntrans-124-20.1-165.300000117F42F42-G44 PolarHBondContact O-N 3.41Å
45E36.9Very low44.2Very low177 Ų177123 Ų12383%0.82768%0.677SS**  trans-117105.2-176.8-67.6-154.9139.700113.3
46N36Very low42.4Very low159 Ų159127.2 Ų127.285%0.8569%0.689SS**  trans-145.994.1165.9-133.5-28.9000109.8G48N46-G48 PolarHBondContact O-N 2.71Å
47Y32.9Very low40.5Very low235 Ų235126.9 Ų126.992%0.92270%0.697SS**  trans-70.987.2-178.8-101.3-92.8000110.9
48G31.7Very low39.1Very low61 Ų61123.8 Ų123.863%0.62971%0.706SS**  trans-132.6-1.3-157.800000120.7N46N46-G48 PolarHBondContact O-N 2.71Å
49I33Very low37.9Very low157 Ų157128.4 Ų128.481%0.80573%0.734SS**  trans64.2139.2167-62.7176.3000118.1
50T30.9Very low36.8Very low114 Ų114131.4 Ų131.470%0.69975%0.749SS**  trans69.395.3167.943.30000121.2
51N30.1Very low36.3Very low143 Ų143139.5 Ų139.577%0.76576%0.763SS**  51.2109.3123.4-52.5-14.2000120.5
52T34.5Very low36Very low135 Ų135143.3 Ų143.383%0.82878%0.778SS**  -173.3150.5103.319.30000113.7
53S33.3Very low36.1Very low122 Ų122138.5 Ų138.585%0.85376%0.764SS**  trans58.8137164.831.90000120.2
54R33.2Very low36.9Very low185 Ų185136 Ų13670%0.69875%0.746SS**  trans-142.7130-174.9168-171.8-169-179.316.1110.5
55P34.7Very low38.3Very low128 Ų128141.4 Ų141.483%0.83175%0.748SS**  trans-90.1165.5149.8-9.228.5000111.5
56R34.6Very low39.7Very low192 Ų192138.1 Ų138.173%0.72574%0.736SS**  trans-147147.8-172.8-168.7-180-172.3178.91.6111.8
57S33.5Very low41.2Very low121 Ų121135.7 Ų135.785%0.84672%0.719SS**  trans63.9107.2166.447.10000118.2
58G35Very low42.8Very low67 Ų67126.2 Ų126.269%0.69169%0.685SS**  trans-161.5130.2155.900000105.3V60G58-V60 PolarHBondContact O-N 2.78Å; G58-V60 VanDerWaalsContact O-N 3.08Å
59D33.8Very low44.7Very low160 Ų160126.8 Ų126.886%0.85667%0.673SS**  trans-88.881.8-156.3-159.525.8000113.6R61D59-R61 PolarHBondContact O-N 3.36Å
60V41.5Very low46.5Very low130 Ų130125.6 Ų125.679%0.78866%0.664SS**  trans-82.6100.8173.2-176.70000109G58 Q62G58-V60 PolarHBondContact O-N 2.78Å; G58-V60 VanDerWaalsContact O-N 3.08Å; V60-Q62 PolarHBondContact O-N 3.33Å
61R43.3Very low48.2Very low224 Ų224123.5 Ų123.585%0.84565%0.646SS**PPolyproline II helixtrans-54.7124.6166.8-72-174.3177.9-174.60.7109D59D59-R61 PolarHBondContact O-N 3.36Å
62Q44.1Very low50.1Low167 Ų167119.2 Ų119.278%0.7862%0.623SS**PPolyproline II helixtrans-61.6138.2161.3-68.1-176.4-48.400107.7V60 S64V60-Q62 PolarHBondContact O-N 3.33Å; Q62-S64 PolarHBondContact O-N 2.75Å
63P47.3Very low51.9Low66 Ų66118.5 Ų118.543%0.42961%0.61SS.*PPolyproline II helixtrans-56.3131166.226.4-33.1000107.2E67P63-E67 HydrophobicContact CB-CB 4.28Å
64S60.3Low53.5Low49 Ų49116.3 Ų116.334%0.34360%0.595SS.*PPolyproline II helixtrans-59.4155.4-179.361.90000110.3Q62 N66 E67 L68Q62-S64 PolarHBondContact O-N 2.75Å; S64-N66 PolarHBondContact O-N 3.43Å; S64-E67 VanDerWaalsContact CB-OE2 3.28Å; S64-E67 WeakPolarHBondContact CB-OE2 3.12Å; S64-E67 PolarHBondContact N-OE2 2.76Å; S64-E67 PolarHBondContact O-N 2.81Å; S64-E67 WeakPolarHBondContact OG-CG 3.44Å; S64-E67 PolarHBondContact OG-N 2.78Å; S64-E67 VanDerWaalsContact OG-N 3.1Å; S64-E67 PolarHBondContact OG-OE2 3.46Å; S64-L68 PolarHBondContact O-N 2.99Å
65Y63.2Low55Low177 Ų177109.6 Ų109.669%0.69458%0.579SS**Hα-helixtrans-53.3-31.6173.1-178.8-96.2000111.3L69Y65-L69 HydrophobicContact CE1-CD1 4.17Å; Y65-L69 VanDerWaalsContact O-CB 3.3Å; Y65-L69 WeakPolarHBondContact O-CB 3.41Å; Y65-L69 PolarHBondContact O-N 2.77Å
66N67Low56.7Low109 Ų109108.7 Ų108.758%0.58357%0.566SS**Hα-helixtrans-70.9-43.2176.5-60.4-2.2000112.7S64 L68 L69 E70S64-N66 PolarHBondContact O-N 3.43Å; N66-L68 VanDerWaalsContact C-N 3.34Å; N66-L68 PolarHBondContact O-N 2.81Å; N66-L69 CarbonylContact O-C 3.59Å; N66-L69 WeakPolarHBondContact O-CB 3.25Å; N66-L69 PolarHBondContact O-N 3.06Å; N66-E70 PolarHBondContact O-N 2.73Å
67E68Low58.3Low107 Ų107104.8 Ų104.850%0.556%0.556SS.*Hα-helixtrans-62.2-40.9173.5-78.1159.1105.800111.8P63 S64 L69 E70 E71P63-E67 HydrophobicContact CB-CB 4.28Å; S64-E67 VanDerWaalsContact CB-OE2 3.28Å; S64-E67 WeakPolarHBondContact CB-OE2 3.12Å; S64-E67 PolarHBondContact N-OE2 2.76Å; S64-E67 PolarHBondContact O-N 2.81Å; S64-E67 WeakPolarHBondContact OG-CG 3.44Å; S64-E67 PolarHBondContact OG-N 2.78Å; S64-E67 VanDerWaalsContact OG-N 3.1Å; S64-E67 PolarHBondContact OG-OE2 3.46Å; E67-L69 VanDerWaalsContact C-N 3.32Å; E67-E70 PolarHBondContact O-N 2.8Å; E67-E71 PolarHBondContact O-N 3.06Å
68L65.7Low59.9Low36 Ų36102.4 Ų102.419%0.18853%0.534CS..Hα-helixtrans-65.1-38.9174.3-170.271.3000111.1F38 L41 S64 N66 I72F38-L68 HydrophobicContact CZ-CD1 4.48Å; L41-L68 HydrophobicContact CD1-CD1 4.23Å; L41-L68 HydrophobicContact CD1-CD2 4.13Å; S64-L68 PolarHBondContact O-N 2.99Å; N66-L68 VanDerWaalsContact C-N 3.34Å; N66-L68 PolarHBondContact O-N 2.81Å; L68-I72 HydrophobicContact CG-CD1 4.04Å; L68-I72 WeakPolarHBondContact O-CB 3.27Å; L68-I72 WeakPolarHBondContact O-CD1 3.26Å; L68-I72 WeakPolarHBondContact O-CG1 3.24Å; L68-I72 PolarHBondContact O-N 3.31Å
69L71.4Confident61.4Low73 Ų73105.4 Ų105.438%0.38253%0.528SS..Hα-helixtrans-65.1-43175.4-153.777.2000111.4Y65 N66 E67 I72 Q73Y65-L69 HydrophobicContact CE1-CD1 4.17Å; Y65-L69 VanDerWaalsContact O-CB 3.3Å; Y65-L69 WeakPolarHBondContact O-CB 3.41Å; Y65-L69 PolarHBondContact O-N 2.77Å; N66-L69 CarbonylContact O-C 3.59Å; N66-L69 WeakPolarHBondContact O-CB 3.25Å; N66-L69 PolarHBondContact O-N 3.06Å; E67-L69 VanDerWaalsContact C-N 3.32Å; L69-I72 PolarHBondContact O-N 3.09Å; L69-Q73 WeakPolarHBondContact O-CB 3.33Å; L69-Q73 PolarHBondContact O-N 2.79Å
70E70.7Confident63.2Low132 Ų132100.2 Ų100.262%0.61751%0.507SS*.Hα-helixtrans-67.2-36.6177.4-77.4-173.7-16900112.6N66 E67 S74N66-E70 PolarHBondContact O-N 2.73Å; E67-E70 PolarHBondContact O-N 2.8Å; E70-S74 WeakPolarHBondContact O-CB 3.29Å; E70-S74 PolarHBondContact O-N 2.73Å; E70-S74 PolarHBondContact O-OG 2.81Å
71E67.8Low64.3Low71 Ų7197.5 Ų97.533%0.33249%0.488SS..Hα-helixtrans-66.5-44.5171.8-86-173.6176.700112.2R37 E67 S74 A75R37-E71 IonicContact CZ-OE1 2.94Å; R37-E71 IonicContact CZ-OE2 2.75Å; R37-E71 IonicContact NH1-OE1 3.83Å; R37-E71 PolarHBondContact NH1-OE1 3.24Å; R37-E71 IonicContact NH1-OE2 3.16Å; R37-E71 PolarHBondContact NH1-OE2 3.34Å; R37-E71 IonicContact NH2-OE1 2.65Å; E67-E71 PolarHBondContact O-N 3.06Å; E71-S74 PolarHBondContact O-N 3.42Å; E71-A75 WeakPolarHBondContact O-CB 3.29Å; E71-A75 PolarHBondContact O-N 2.6Å
72I69.2Low65Low53 Ų5388.4 Ų88.427%0.27246%0.456SS..Hα-helixtrans-62.1-45.5175.2-67.6163.5000110.3F38 L68 L69 A75 L76F38-I72 HydrophobicContact CZ-CD1 3.95Å; F38-I72 HydrophobicContact CZ-CG1 4.18Å; L68-I72 HydrophobicContact CG-CD1 4.04Å; L68-I72 WeakPolarHBondContact O-CB 3.27Å; L68-I72 WeakPolarHBondContact O-CD1 3.26Å; L68-I72 WeakPolarHBondContact O-CG1 3.24Å; L68-I72 PolarHBondContact O-N 3.31Å; L69-I72 PolarHBondContact O-N 3.09Å; I72-A75 PolarHBondContact O-N 3.37Å; I72-L76 HydrophobicContact CG2-CD1 3.9Å; I72-L76 HydrophobicContact CG2-CG 4.4Å; I72-L76 WeakPolarHBondContact O-CB 3.19Å; I72-L76 VanDerWaalsContact O-CG 3.32Å; I72-L76 WeakPolarHBondContact O-CG 3.42Å; I72-L76 PolarHBondContact O-N 3.27Å
73Q72.6Confident66.1Low119 Ų11983.3 Ų83.356%0.55644%0.439SS*.Hα-helixtrans-68.2-36.4-178.8-170.2166.1-9.300111.2L69 L76 Q77L69-Q73 WeakPolarHBondContact O-CB 3.33Å; L69-Q73 PolarHBondContact O-N 2.79Å; Q73-L76 PolarHBondContact O-N 3.17Å; Q73-Q77 VanDerWaalsContact O-CB 3.26Å; Q73-Q77 WeakPolarHBondContact O-CB 3.49Å; Q73-Q77 PolarHBondContact O-N 2.81Å
74S67.3Low67.2Low77 Ų7784.6 Ų84.654%0.53845%0.445SS..Hα-helixtrans-65.4-40.5171.2-630000112.3E70 E71 Q77 L78E70-S74 WeakPolarHBondContact O-CB 3.29Å; E70-S74 PolarHBondContact O-N 2.73Å; E70-S74 PolarHBondContact O-OG 2.81Å; E71-S74 PolarHBondContact O-N 3.42Å; S74-Q77 PolarHBondContact O-N 3.11Å; S74-L78 VanDerWaalsContact O-CB 3.31Å; S74-L78 WeakPolarHBondContact O-CB 3.35Å; S74-L78 PolarHBondContact O-N 2.73Å
75A63.7Low67.3Low43 Ų4387.9 Ų87.936%0.35546%0.455SS..Hα-helixtrans-68-38.2175.800000112.3E71 I72 K79E71-A75 WeakPolarHBondContact O-CB 3.29Å; E71-A75 PolarHBondContact O-N 2.6Å; I72-A75 PolarHBondContact O-N 3.37Å; A75-K79 WeakPolarHBondContact O-CB 3.12Å; A75-K79 PolarHBondContact O-N 3.48Å
76L70.7Confident67.5Low110 Ų11083.7 Ų83.758%0.57644%0.444SS*.Hα-helixtrans-68.5-40.9173.7-72.3172.2000112I72 Q73 K79 A80I72-L76 HydrophobicContact CG2-CD1 3.9Å; I72-L76 HydrophobicContact CG2-CG 4.4Å; I72-L76 WeakPolarHBondContact O-CB 3.19Å; I72-L76 VanDerWaalsContact O-CG 3.32Å; I72-L76 WeakPolarHBondContact O-CG 3.42Å; I72-L76 PolarHBondContact O-N 3.27Å; Q73-L76 PolarHBondContact O-N 3.17Å; L76-K79 PolarHBondContact O-N 3.38Å; L76-A80 WeakPolarHBondContact O-CB 3.45Å; L76-A80 PolarHBondContact O-N 2.82Å
77Q68.9Low67.6Low109 Ų10984.7 Ų84.751%0.50945%0.445SS..Hα-helixtrans-63.8-44.4175.3-168.868.15400111Q73 S74 K79 A80 N81Q73-Q77 VanDerWaalsContact O-CB 3.26Å; Q73-Q77 WeakPolarHBondContact O-CB 3.49Å; Q73-Q77 PolarHBondContact O-N 2.81Å; S74-Q77 PolarHBondContact O-N 3.11Å; Q77-K79 VanDerWaalsContact C-N 3.34Å; Q77-K79 PolarHBondContact O-N 2.81Å; Q77-A80 PolarHBondContact O-N 2.72Å; Q77-N81 PolarHBondContact NE2-OD1 2.85Å; Q77-N81 VanDerWaalsContact NE2-OD1 3.08Å; Q77-N81 VanDerWaalsContact O-CG 3.29Å; Q77-N81 PolarHBondContact O-N 3.38Å; Q77-N81 PolarHBondContact O-OD1 3.33Å; Q77-N81 VanDerWaalsContact O-OD1 3.07Å
78L65.9Low67.4Low71 Ų7181.8 Ų81.837%0.37244%0.44SS..Hα-helixtrans-58.4-46.7174-168.677.7000110.8K30 S74 A80 N81 L82K30-L78 HydrophobicContact CD-CD2 4.32Å; S74-L78 VanDerWaalsContact O-CB 3.31Å; S74-L78 WeakPolarHBondContact O-CB 3.35Å; S74-L78 PolarHBondContact O-N 2.73Å; L78-A80 PolarHBondContact O-N 2.73Å; L78-N81 PolarHBondContact O-N 2.78Å; L78-L82 HydrophobicContact CD1-CD1 4.48Å; L78-L82 HydrophobicContact CD2-CD1 4.38Å; L78-L82 HydrophobicContact CG-CD1 3.85Å; L78-L82 WeakPolarHBondContact O-CB 3.36Å; L78-L82 WeakPolarHBondContact O-CD1 3.49Å; L78-L82 WeakPolarHBondContact O-CG 3.31Å; L78-L82 PolarHBondContact O-N 3.21Å
79K68.2Low67.1Low131 Ų13185.4 Ų85.457%0.5746%0.459SS*.Hα-helixtrans-62.5-39.7176.5-176.1178.6177.6-179.30112.5A75 L76 Q77 S83A75-K79 WeakPolarHBondContact O-CB 3.12Å; A75-K79 PolarHBondContact O-N 3.48Å; L76-K79 PolarHBondContact O-N 3.38Å; Q77-K79 VanDerWaalsContact C-N 3.34Å; Q77-K79 PolarHBondContact O-N 2.81Å; K79-S83 WeakPolarHBondContact O-CB 3.23Å; K79-S83 PolarHBondContact O-N 2.83Å
80A70.4Confident66.8Low50 Ų5087.8 Ų87.841%0.41347%0.468SS..Hα-helixtrans-64.9-49.2178.600000111.4L76 Q77 L78 L82 S83 V84L76-A80 WeakPolarHBondContact O-CB 3.45Å; L76-A80 PolarHBondContact O-N 2.82Å; Q77-A80 PolarHBondContact O-N 2.72Å; L78-A80 PolarHBondContact O-N 2.73Å; A80-L82 VanDerWaalsContact C-N 3.34Å; A80-L82 PolarHBondContact O-N 2.81Å; A80-S83 WeakPolarHBondContact O-CB 3.32Å; A80-S83 PolarHBondContact O-N 3.36Å; A80-V84 PolarHBondContact O-N 2.78Å
81N65.5Low66.7Low74 Ų7485.5 Ų85.540%0.39646%0.457SS..Hα-helixtrans-57.8-47176.7-66.115.4000111.2Q77 L78 S83 V84 E85Q77-N81 PolarHBondContact NE2-OD1 2.85Å; Q77-N81 VanDerWaalsContact NE2-OD1 3.08Å; Q77-N81 VanDerWaalsContact O-CG 3.29Å; Q77-N81 PolarHBondContact O-N 3.38Å; Q77-N81 PolarHBondContact O-OD1 3.33Å; Q77-N81 VanDerWaalsContact O-OD1 3.07Å; L78-N81 PolarHBondContact O-N 2.78Å; N81-S83 VanDerWaalsContact C-N 3.31Å; N81-S83 PolarHBondContact O-N 3.4Å; N81-V84 PolarHBondContact O-N 2.68Å; N81-V84 VanDerWaalsContact O-N 3.14Å; N81-E85 PolarHBondContact O-N 3.45Å
82L57.1Low66.4Low33 Ų3386.4 Ų86.417%0.17346%0.464CS..Hα-helixtrans-67.5-28.3179.5-69.7167.8000113.4W23 L78 A80 V84 L86W23-L82 HydrophobicContact CZ2-CB 4.22Å; W23-L82 HydrophobicContact CZ2-CD1 3.85Å; W23-L82 HydrophobicContact CZ2-CD2 4.26Å; W23-L82 HydrophobicContact CZ2-CG 4.33Å; W23-L82 VanDerWaalsContact NE1-CD1 3.33Å; L78-L82 HydrophobicContact CD1-CD1 4.48Å; L78-L82 HydrophobicContact CD2-CD1 4.38Å; L78-L82 HydrophobicContact CG-CD1 3.85Å; L78-L82 WeakPolarHBondContact O-CB 3.36Å; L78-L82 WeakPolarHBondContact O-CD1 3.49Å; L78-L82 WeakPolarHBondContact O-CG 3.31Å; L78-L82 PolarHBondContact O-N 3.21Å; A80-L82 VanDerWaalsContact C-N 3.34Å; A80-L82 PolarHBondContact O-N 2.81Å; L82-V84 VanDerWaalsContact C-N 3.35Å; L82-L86 VanDerWaalsContact O-CB 3.3Å; L82-L86 WeakPolarHBondContact O-CB 3.33Å; L82-L86 PolarHBondContact O-N 2.76Å
83S67.9Low66.2Low59 Ų5990.7 Ų90.741%0.41348%0.476SS..Hα-helixtrans-67.1-38172.1-158.60000111.3K79 A80 N81 L86 E87K79-S83 WeakPolarHBondContact O-CB 3.23Å; K79-S83 PolarHBondContact O-N 2.83Å; A80-S83 WeakPolarHBondContact O-CB 3.32Å; A80-S83 PolarHBondContact O-N 3.36Å; N81-S83 VanDerWaalsContact C-N 3.31Å; N81-S83 PolarHBondContact O-N 3.4Å; S83-L86 PolarHBondContact O-N 2.75Å; S83-E87 WeakPolarHBondContact O-CB 3.46Å; S83-E87 WeakPolarHBondContact O-CG 3.17Å; S83-E87 PolarHBondContact O-N 2.66Å
84V70.3Confident65.9Low93 Ų9387.3 Ų87.356%0.56447%0.466SS*.Hα-helixtrans-71.8-39.7177.2175.70000111.4A80 N81 L82 L86 E87 A88A80-V84 PolarHBondContact O-N 2.78Å; N81-V84 PolarHBondContact O-N 2.68Å; N81-V84 VanDerWaalsContact O-N 3.14Å; L82-V84 VanDerWaalsContact C-N 3.35Å; V84-L86 VanDerWaalsContact C-N 3.34Å; V84-E87 PolarHBondContact O-N 2.66Å; V84-A88 VanDerWaalsContact O-CB 3.3Å; V84-A88 WeakPolarHBondContact O-CB 3.22Å; V84-A88 PolarHBondContact O-N 2.74Å
85E61.8Low65.6Low118 Ų11888.7 Ų88.755%0.55146%0.463SS*.Hα-helixtrans-63.2-39.4172.7-72.6178.3-179.500112N81 A88 L89N81-E85 PolarHBondContact O-N 3.45Å; E85-A88 PolarHBondContact O-N 2.69Å; E85-L89 WeakPolarHBondContact O-CB 3.46Å; E85-L89 WeakPolarHBondContact O-CG 3.13Å; E85-L89 PolarHBondContact O-N 2.75Å
86L68Low65.4Low90 Ų9089.8 Ų89.847%0.47146%0.463SS..Hα-helixtrans-72.3-39.7178.2-161.5155000111.8L82 S83 V84 L89 Q90L82-L86 VanDerWaalsContact O-CB 3.3Å; L82-L86 WeakPolarHBondContact O-CB 3.33Å; L82-L86 PolarHBondContact O-N 2.76Å; S83-L86 PolarHBondContact O-N 2.75Å; V84-L86 VanDerWaalsContact C-N 3.34Å; L86-L89 PolarHBondContact O-N 2.77Å; L86-Q90 WeakPolarHBondContact O-CB 3.3Å; L86-Q90 PolarHBondContact O-N 3.17Å
87E69.4Low65Low129 Ų12990.5 Ų90.560%0.60346%0.463SS*.Hα-helixtrans-61.1-42170.2-78.5174.6-176.100111.5S83 V84 Q90 Q91S83-E87 WeakPolarHBondContact O-CB 3.46Å; S83-E87 WeakPolarHBondContact O-CG 3.17Å; S83-E87 PolarHBondContact O-N 2.66Å; V84-E87 PolarHBondContact O-N 2.66Å; E87-Q90 PolarHBondContact O-N 2.74Å; E87-Q91 WeakPolarHBondContact O-CB 3.14Å; E87-Q91 PolarHBondContact O-N 3.39Å
88A62.5Low64.6Low47 Ų4792.1 Ų92.139%0.38848%0.476SS..Hα-helixtrans-65.7-45.3176.400000112.6V84 E85 Q90 Q91 I92V84-A88 VanDerWaalsContact O-CB 3.3Å; V84-A88 WeakPolarHBondContact O-CB 3.22Å; V84-A88 PolarHBondContact O-N 2.74Å; E85-A88 PolarHBondContact O-N 2.69Å; A88-Q90 VanDerWaalsContact C-N 3.32Å; A88-Q90 PolarHBondContact O-N 3.31Å; A88-Q91 PolarHBondContact O-N 2.71Å; A88-I92 WeakPolarHBondContact O-CB 2.9Å; A88-I92 VanDerWaalsContact O-CG1 3.29Å; A88-I92 WeakPolarHBondContact O-CG1 3.04Å; A88-I92 PolarHBondContact O-N 3.46Å
89L58.9Low63.8Low112 Ų11290 Ų9059%0.58647%0.467SS*.Hα-helixtrans-64.2-36.9175-75.1170.7000112E85 L86 R93E85-L89 WeakPolarHBondContact O-CB 3.46Å; E85-L89 WeakPolarHBondContact O-CG 3.13Å; E85-L89 PolarHBondContact O-N 2.75Å; L86-L89 PolarHBondContact O-N 2.77Å; L89-R93 WeakPolarHBondContact O-CB 3.42Å; L89-R93 PolarHBondContact O-N 2.72Å
90Q66.9Low63Low123 Ų12393.6 Ų93.658%0.57549%0.486SS*.Hα-helixtrans-75.7-29.1177.6-169.7158-17.600112.2L86 E87 A88 R93 S94L86-Q90 WeakPolarHBondContact O-CB 3.3Å; L86-Q90 PolarHBondContact O-N 3.17Å; E87-Q90 PolarHBondContact O-N 2.74Å; A88-Q90 VanDerWaalsContact C-N 3.32Å; A88-Q90 PolarHBondContact O-N 3.31Å; Q90-R93 PolarHBondContact O-N 2.78Å; Q90-S94 PolarHBondContact O-N 3.19Å; Q90-S94 PolarHBondContact O-OG 3.36Å
91Q67.8Low61.9Low84 Ų8493.9 Ų93.939%0.39348%0.484SS..Hα-helixtrans-70.3-45169.6-178.5170.1-20.300111.6E87 A88 R93 S94 E95E87-Q91 WeakPolarHBondContact O-CB 3.14Å; E87-Q91 PolarHBondContact O-N 3.39Å; A88-Q91 PolarHBondContact O-N 2.71Å; Q91-R93 PolarHBondContact O-N 3.45Å; Q91-S94 WeakPolarHBondContact CA-OG 3.47Å; Q91-S94 PolarHBondContact O-N 2.79Å; Q91-S94 VanDerWaalsContact O-N 3.12Å; Q91-S94 PolarHBondContact O-OG 3.41Å; Q91-E95 HydrophobicContact CG-CG 4.4Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.43Å; Q91-E95 PolarHBondContact NE2-OE1 3.33Å; Q91-E95 WeakPolarHBondContact O-CB 3.45Å; Q91-E95 WeakPolarHBondContact O-CG 3.26Å; Q91-E95 PolarHBondContact O-N 2.99Å
92I62.2Low60.9Low90 Ų9096.9 Ų96.946%0.46250%0.497SS..Hα-helixtrans-56.8-38.5171.3-70.3163.9000110.2A88 E95 L96A88-I92 WeakPolarHBondContact O-CB 2.9Å; A88-I92 VanDerWaalsContact O-CG1 3.29Å; A88-I92 WeakPolarHBondContact O-CG1 3.04Å; A88-I92 PolarHBondContact O-N 3.46Å; I92-E95 PolarHBondContact O-N 2.86Å; I92-L96 HydrophobicContact CG2-CD1 4.14Å; I92-L96 WeakPolarHBondContact O-CB 3.35Å; I92-L96 WeakPolarHBondContact O-CG 3.36Å; I92-L96 PolarHBondContact O-N 2.73Å
93R63.5Low60.8Low143 Ų14399 Ų9954%0.5452%0.515SS..Hα-helixtrans-66.8-42174.6-176.9177.5167.9-157.5-11.3113.1L89 Q90 Q91 L96 E97L89-R93 WeakPolarHBondContact O-CB 3.42Å; L89-R93 PolarHBondContact O-N 2.72Å; Q90-R93 PolarHBondContact O-N 2.78Å; Q91-R93 PolarHBondContact O-N 3.45Å; R93-L96 WeakPolarHBondContact O-CB 3.21Å; R93-L96 PolarHBondContact O-N 3.16Å; R93-E97 HydrophobicContact CG-CG 4.38Å; R93-E97 IonicContact CZ-OE1 3.82Å; R93-E97 IonicContact NE-OE1 2.68Å; R93-E97 PolarHBondContact NE-OE1 2.71Å; R93-E97 IonicContact NE-OE2 3.7Å; R93-E97 IonicContact NH2-OE1 2.79Å; R93-E97 PolarHBondContact NH2-OE1 3.33Å; R93-E97 IonicContact NH2-OE2 2.97Å; R93-E97 WeakPolarHBondContact O-CB 3.48Å; R93-E97 WeakPolarHBondContact O-CG 3.48Å; R93-E97 PolarHBondContact O-N 2.87Å
94S67.3Low60.4Low47 Ų47100 Ų10033%0.32951%0.513SS..Hα-helixtrans-68-35.6173.348.50000112Q90 Q91 L96 E97 D98Q90-S94 PolarHBondContact O-N 3.19Å; Q90-S94 PolarHBondContact O-OG 3.36Å; Q91-S94 WeakPolarHBondContact CA-OG 3.47Å; Q91-S94 PolarHBondContact O-N 2.79Å; Q91-S94 VanDerWaalsContact O-N 3.12Å; Q91-S94 PolarHBondContact O-OG 3.41Å; S94-L96 VanDerWaalsContact C-N 3.29Å; S94-L96 PolarHBondContact O-N 2.67Å; S94-E97 PolarHBondContact O-N 3.31Å; S94-D98 VanDerWaalsContact O-CB 3.3Å; S94-D98 WeakPolarHBondContact O-CB 3.07Å; S94-D98 PolarHBondContact O-N 2.76Å
95E60.7Low59.7Low106 Ų10696.8 Ų96.850%0.49549%0.494SS..Hα-helixtrans-67.6-29.1174.6-71.3175.7-162.100112.1Q91 I92 S99Q91-E95 HydrophobicContact CG-CG 4.4Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.43Å; Q91-E95 PolarHBondContact NE2-OE1 3.33Å; Q91-E95 WeakPolarHBondContact O-CB 3.45Å; Q91-E95 WeakPolarHBondContact O-CG 3.26Å; Q91-E95 PolarHBondContact O-N 2.99Å; I92-E95 PolarHBondContact O-N 2.86Å; E95-S99 VanDerWaalsContact O-CB 3.23Å; E95-S99 WeakPolarHBondContact O-CB 3.09Å; E95-S99 PolarHBondContact O-N 3.35Å
96L58.6Low59.8Low66 Ų6695.3 Ų95.335%0.34649%0.487SS..Hα-helixtrans-69.4-50165.9-80.9160.1000112.1I92 R93 S94 S99 M102 V105I92-L96 HydrophobicContact CG2-CD1 4.14Å; I92-L96 WeakPolarHBondContact O-CB 3.35Å; I92-L96 WeakPolarHBondContact O-CG 3.36Å; I92-L96 PolarHBondContact O-N 2.73Å; R93-L96 WeakPolarHBondContact O-CB 3.21Å; R93-L96 PolarHBondContact O-N 3.16Å; S94-L96 VanDerWaalsContact C-N 3.29Å; S94-L96 PolarHBondContact O-N 2.67Å; L96-S99 PolarHBondContact O-N 3.21Å; L96-S99 PolarHBondContact O-OG 2.79Å; L96-M102 HydrophobicContact CD2-SD 3.97Å; L96-V105 HydrophobicContact CD2-CB 3.88Å; L96-V105 HydrophobicContact CD2-CG1 3.46Å; L96-V105 VanDerWaalsContact CD2-CG1 3.46Å; L96-V105 HydrophobicContact CD2-CG2 4.44Å; L96-V105 HydrophobicContact CG-CG1 3.97Å
97E64.3Low59.8Low125 Ų12594.6 Ų94.658%0.58448%0.48SS*.Hα-helixtrans-71.3-29.6-174.8-73.3179.7174.500113.9R93 S94R93-E97 HydrophobicContact CG-CG 4.38Å; R93-E97 IonicContact CZ-OE1 3.82Å; R93-E97 IonicContact NE-OE1 2.68Å; R93-E97 PolarHBondContact NE-OE1 2.71Å; R93-E97 IonicContact NE-OE2 3.7Å; R93-E97 IonicContact NH2-OE1 2.79Å; R93-E97 PolarHBondContact NH2-OE1 3.33Å; R93-E97 IonicContact NH2-OE2 2.97Å; R93-E97 WeakPolarHBondContact O-CB 3.48Å; R93-E97 WeakPolarHBondContact O-CG 3.48Å; R93-E97 PolarHBondContact O-N 2.87Å; S94-E97 PolarHBondContact O-N 3.31Å
98D59.1Low59.7Low143 Ų14396 Ų9677%0.76548%0.48SS*.THydrogen-bonded Turntrans-92.7-4.2175.2-68.7-38.7000112.9S94 E100S94-D98 VanDerWaalsContact O-CB 3.3Å; S94-D98 WeakPolarHBondContact O-CB 3.07Å; S94-D98 PolarHBondContact O-N 2.76Å; D98-E100 PolarHBondContact O-N 2.8Å
99S48.6Very low59.9Low28 Ų2897.5 Ų97.520%0.19648%0.481CS..  trans-75.1119.4174.268.40000111.5E95 L96 C101 V105E95-S99 VanDerWaalsContact O-CB 3.23Å; E95-S99 WeakPolarHBondContact O-CB 3.09Å; E95-S99 PolarHBondContact O-N 3.35Å; L96-S99 PolarHBondContact O-N 3.21Å; L96-S99 PolarHBondContact O-OG 2.79Å; S99-C101 PolarHBondContact O-N 3.46Å; S99-V105 VanDerWaalsContact CB-CG2 3.49Å; S99-V105 WeakPolarHBondContact OG-CG2 3.44Å
100E51.9Low60.5Low205 Ų20596.3 Ų96.396%0.95847%0.472SS*.SBendtrans-67.6-5.9-176.7-154.4169.8-156.600113.4D98D98-E100 PolarHBondContact O-N 2.8Å
101C47.9Very low60.8Low57 Ų5793.2 Ų93.239%0.38546%0.455SS..  trans-148.8134.3156.463.10000113.2S99 S103 E104S99-C101 PolarHBondContact O-N 3.46Å; C101-S103 WeakPolarHBondContact CB-OG 3.24Å; C101-S103 PolarHBondContact O-N 2.69Å; C101-S103 VanDerWaalsContact O-N 3.09Å; C101-S103 PolarHBondContact SG-OG 2.7Å; C101-E104 PolarHBondContact O-N 2.71Å
102M44.6Very low61Low136 Ų13691.4 Ų91.467%0.6746%0.455SS*.Hα-helixtrans-50.9-30.4169.8-97.2-78.7-70.500113.1L96 V105 H106L96-M102 HydrophobicContact CD2-SD 3.97Å; M102-V105 PolarHBondContact O-N 2.72Å; M102-H106 WeakPolarHBondContact O-CB 3.26Å; M102-H106 PolarHBondContact O-N 2.75Å
103S55.6Low61.5Low79 Ų7988.9 Ų88.955%0.55244%0.444SS*.Hα-helixtrans-67.7-30.1177.843.40000113.9C101 F107C101-S103 WeakPolarHBondContact CB-OG 3.24Å; C101-S103 PolarHBondContact O-N 2.69Å; C101-S103 VanDerWaalsContact O-N 3.09Å; C101-S103 PolarHBondContact SG-OG 2.7Å; S103-F107 WeakPolarHBondContact O-CB 3.32Å; S103-F107 PolarHBondContact O-N 3.41Å
104E58.6Low62.1Low79 Ų7984.4 Ų84.437%0.36943%0.429SS..Hα-helixtrans-69-40.6174.8177.469.9-169.700110.5C101 R108C101-E104 PolarHBondContact O-N 2.71Å; E104-R108 WeakPolarHBondContact O-CB 3.41Å; E104-R108 WeakPolarHBondContact O-CG 3.26Å; E104-R108 PolarHBondContact O-N 3.49Å; E104-R108 IonicContact OE1-CZ 3.89Å; E104-R108 IonicContact OE1-NE 3.41Å; E104-R108 PolarHBondContact OE1-NE 2.72Å; E104-R108 IonicContact OE1-NH2 3.86Å; E104-R108 PolarHBondContact OE1-NH2 3.12Å
105V55.8Low62.6Low26 Ų2686.1 Ų86.116%0.15844%0.435CS..Hα-helixtrans-76.1-35.9177.3-176.80000111.7L96 S99 M102 R108 L109L96-V105 HydrophobicContact CD2-CB 3.88Å; L96-V105 HydrophobicContact CD2-CG1 3.46Å; L96-V105 VanDerWaalsContact CD2-CG1 3.46Å; L96-V105 HydrophobicContact CD2-CG2 4.44Å; L96-V105 HydrophobicContact CG-CG1 3.97Å; S99-V105 VanDerWaalsContact CB-CG2 3.49Å; S99-V105 WeakPolarHBondContact OG-CG2 3.44Å; M102-V105 PolarHBondContact O-N 2.72Å; V105-R108 PolarHBondContact O-N 2.7Å; V105-L109 WeakPolarHBondContact O-CB 3.03Å; V105-L109 PolarHBondContact O-N 2.73Å
106H64.3Low63.3Low87 Ų8785.4 Ų85.440%0.40343%0.434SS..Hα-helixtrans-55.4-56.5168.1-166.4-75.9000109.8M102 R108 L109 E110M102-H106 WeakPolarHBondContact O-CB 3.26Å; M102-H106 PolarHBondContact O-N 2.75Å; H106-R108 VanDerWaalsContact C-N 3.32Å; H106-R108 PolarHBondContact O-N 3.5Å; H106-L109 PolarHBondContact O-N 2.78Å; H106-L109 VanDerWaalsContact O-N 3.08Å; H106-E110 VanDerWaalsContact CE1-CD 3.49Å; H106-E110 IonicContact CE1-OE1 3.19Å; H106-E110 PolarHBondContact CE1-OE1 2.82Å; H106-E110 IonicContact CE1-OE2 3.77Å; H106-E110 PolarHBondContact CE1-OE2 2.73Å; H106-E110 VanDerWaalsContact CE1-OE2 3.3Å; H106-E110 IonicContact ND1-OE1 2.95Å; H106-E110 IonicContact ND1-OE2 3.42Å; H106-E110 PolarHBondContact ND1-OE2 3.01Å; H106-E110 WeakPolarHBondContact O-CB 3.21Å; H106-E110 PolarHBondContact O-N 3.32Å
107F67.7Low64.4Low74 Ų7488.7 Ų88.733%0.32544%0.442SS..Hα-helixtrans-61.6-36.2-178.2-167.8-106.1000112.7S103 R111 I540 A543S103-F107 WeakPolarHBondContact O-CB 3.32Å; S103-F107 PolarHBondContact O-N 3.41Å; F107-R111 WeakPolarHBondContact O-CB 3.3Å; F107-R111 PolarHBondContact O-N 3.39Å; F107-I540 HydrophobicContact CE1-CG1 3.88Å; F107-I540 HydrophobicContact CZ-CG1 4.33Å; F107-A543 HydrophobicContact CE2-CB 4.49Å; F107-A543 HydrophobicContact CZ-CB 3.89Å
108R67.7Low65.1Low159 Ų15988.1 Ų88.160%0.643%0.434SS*.Hα-helixtrans-68.2-38173.4-76.6176.3-172.9-164.78113.2E104 V105 H106 A112E104-R108 WeakPolarHBondContact O-CB 3.41Å; E104-R108 WeakPolarHBondContact O-CG 3.26Å; E104-R108 PolarHBondContact O-N 3.49Å; E104-R108 IonicContact OE1-CZ 3.89Å; E104-R108 IonicContact OE1-NE 3.41Å; E104-R108 PolarHBondContact OE1-NE 2.72Å; E104-R108 IonicContact OE1-NH2 3.86Å; E104-R108 PolarHBondContact OE1-NH2 3.12Å; V105-R108 PolarHBondContact O-N 2.7Å; H106-R108 VanDerWaalsContact C-N 3.32Å; H106-R108 PolarHBondContact O-N 3.5Å; R108-A112 VanDerWaalsContact O-CB 3.28Å; R108-A112 WeakPolarHBondContact O-CB 3.2Å; R108-A112 PolarHBondContact O-N 2.81Å
109L65.8Low66.2Low79 Ų7985.9 Ų85.941%0.41442%0.422SS..Hα-helixtrans-83.4-35.4-176.4-171.258.8000112.2Y5 V105 H106 A112 T113Y5-L109 HydrophobicContact CD2-CD2 4.19Å; Y5-L109 HydrophobicContact CE2-CD2 3.71Å; Y5-L109 HydrophobicContact CE2-CG 3.88Å; V105-L109 WeakPolarHBondContact O-CB 3.03Å; V105-L109 PolarHBondContact O-N 2.73Å; H106-L109 PolarHBondContact O-N 2.78Å; H106-L109 VanDerWaalsContact O-N 3.08Å; L109-A112 PolarHBondContact O-N 2.97Å; L109-T113 WeakPolarHBondContact O-CB 3.18Å; L109-T113 WeakPolarHBondContact O-CG2 3.49Å; L109-T113 PolarHBondContact O-N 3.47Å; L109-T113 PolarHBondContact O-OG1 2.88Å
110E71.1Confident67.8Low86 Ų8690.7 Ų90.740%0.40244%0.441SS..Hα-helixtrans-59.8-48.4165.2-174.8166.2-137.300109.9H106 A112 T113 E114H106-E110 VanDerWaalsContact CE1-CD 3.49Å; H106-E110 IonicContact CE1-OE1 3.19Å; H106-E110 PolarHBondContact CE1-OE1 2.82Å; H106-E110 IonicContact CE1-OE2 3.77Å; H106-E110 PolarHBondContact CE1-OE2 2.73Å; H106-E110 VanDerWaalsContact CE1-OE2 3.3Å; H106-E110 IonicContact ND1-OE1 2.95Å; H106-E110 IonicContact ND1-OE2 3.42Å; H106-E110 PolarHBondContact ND1-OE2 3.01Å; H106-E110 WeakPolarHBondContact O-CB 3.21Å; H106-E110 PolarHBondContact O-N 3.32Å; E110-A112 VanDerWaalsContact C-N 3.33Å; E110-A112 PolarHBondContact O-N 3.27Å; E110-T113 WeakPolarHBondContact CA-OG1 3.4Å; E110-T113 PolarHBondContact O-N 2.87Å; E110-T113 PolarHBondContact O-OG1 3.24Å; E110-E114 VanDerWaalsContact O-CB 3.28Å; E110-E114 WeakPolarHBondContact O-CB 3.45Å; E110-E114 PolarHBondContact O-N 2.74Å
111R73.8Confident69.2Low58 Ų5883.8 Ų83.822%0.21942%0.419CS..Hα-helixtrans-59.8-37.7170.1179.8-179.7-145.891.127.1113.7F107 N115 A539 A543F107-R111 WeakPolarHBondContact O-CB 3.3Å; F107-R111 PolarHBondContact O-N 3.39Å; R111-N115 VanDerWaalsContact O-CB 3.23Å; R111-N115 WeakPolarHBondContact O-CB 3.47Å; R111-N115 PolarHBondContact O-N 3Å; R111-N115 PolarHBondContact O-ND2 2.98Å; R111-A539 VanDerWaalsContact NH1-C 3.3Å; R111-A539 PolarHBondContact NH1-O 2.95Å; R111-A539 PolarHBondContact NH2-O 3.5Å; R111-A543 VanDerWaalsContact NH1-CB 3.3Å
112A71.1Confident70.7Confident46 Ų4683.9 Ų83.938%0.3842%0.424SS..Hα-helixtrans-73.8-39.1-179.800000112.1R108 L109 E110 N116R108-A112 VanDerWaalsContact O-CB 3.28Å; R108-A112 WeakPolarHBondContact O-CB 3.2Å; R108-A112 PolarHBondContact O-N 2.81Å; L109-A112 PolarHBondContact O-N 2.97Å; E110-A112 VanDerWaalsContact C-N 3.33Å; E110-A112 PolarHBondContact O-N 3.27Å; A112-N116 PolarHBondContact O-N 2.73Å; A112-N116 VanDerWaalsContact O-N 3.07Å
113T73.8Confident72.4Confident38 Ų3882.4 Ų82.423%0.23342%0.418CS..Hα-helixtrans-66.4-40.8171.947.30000110.7L109 E110 N116 R117L109-T113 WeakPolarHBondContact O-CB 3.18Å; L109-T113 WeakPolarHBondContact O-CG2 3.49Å; L109-T113 PolarHBondContact O-N 3.47Å; L109-T113 PolarHBondContact O-OG1 2.88Å; E110-T113 WeakPolarHBondContact CA-OG1 3.4Å; E110-T113 PolarHBondContact O-N 2.87Å; E110-T113 PolarHBondContact O-OG1 3.24Å; T113-N116 CarbonylContact O-C 3.49Å; T113-N116 WeakPolarHBondContact O-CA 3.23Å; T113-N116 WeakPolarHBondContact O-CB 3.15Å; T113-N116 PolarHBondContact O-N 3.17Å; T113-N116 VanDerWaalsContact O-N 3.12Å; T113-R117 PolarHBondContact O-N 2.79Å
114E76.4Confident73.8Confident49 Ų4984.3 Ų84.323%0.22942%0.418CS..Hα-helixtrans-71-40.1177.6-166.646.3-125.900112.9E110 N116 R117 R118E110-E114 VanDerWaalsContact O-CB 3.28Å; E110-E114 WeakPolarHBondContact O-CB 3.45Å; E110-E114 PolarHBondContact O-N 2.74Å; E114-N116 PolarHBondContact O-N 3.42Å; E114-R117 PolarHBondContact O-N 2.74Å; E114-R117 VanDerWaalsContact O-N 3.09Å; E114-R117 WeakPolarHBondContact OE2-CD 3.25Å; E114-R117 IonicContact OE2-CZ 2.65Å; E114-R117 IonicContact OE2-NE 3.18Å; E114-R117 IonicContact OE2-NH1 2.66Å; E114-R117 PolarHBondContact OE2-NH1 3.03Å; E114-R118 WeakPolarHBondContact O-CB 3.3Å; E114-R118 VanDerWaalsContact O-CG 3.31Å; E114-R118 WeakPolarHBondContact O-CG 3.23Å; E114-R118 PolarHBondContact O-N 2.63Å; E114-R118 WeakPolarHBondContact OE1-CG 3.37Å
115N76.9Confident75Confident83 Ų8382.5 Ų82.544%0.44442%0.416SS..Hα-helixtrans-58.1-33.1168.2-79.2-20.3000112.2R111 L119R111-N115 VanDerWaalsContact O-CB 3.23Å; R111-N115 WeakPolarHBondContact O-CB 3.47Å; R111-N115 PolarHBondContact O-N 3Å; R111-N115 PolarHBondContact O-ND2 2.98Å; N115-L119 VanDerWaalsContact O-CB 3.23Å; N115-L119 WeakPolarHBondContact O-CB 3.26Å; N115-L119 PolarHBondContact O-N 2.7Å
116N76.4Confident76.2Confident90 Ų9083.1 Ų83.148%0.48142%0.424SS..Hα-helixtrans-73.7-38.4172.5-94.6-22.8000112.7A112 T113 E114 L119 H120A112-N116 PolarHBondContact O-N 2.73Å; A112-N116 VanDerWaalsContact O-N 3.07Å; T113-N116 CarbonylContact O-C 3.49Å; T113-N116 WeakPolarHBondContact O-CA 3.23Å; T113-N116 WeakPolarHBondContact O-CB 3.15Å; T113-N116 PolarHBondContact O-N 3.17Å; T113-N116 VanDerWaalsContact O-N 3.12Å; E114-N116 PolarHBondContact O-N 3.42Å; N116-L119 PolarHBondContact O-N 3.01Å; N116-H120 WeakPolarHBondContact O-CB 3.29Å; N116-H120 PolarHBondContact O-CD2 2.94Å; N116-H120 PolarHBondContact O-N 2.88Å
117R80.7Confident77.2Confident136 Ų13683.9 Ų83.951%0.51343%0.432SS..Hα-helixtrans-61.4-48.1172.4-67.7-163.9-166.1100.20.6110.8T113 E114 L119 H120 A121T113-R117 PolarHBondContact O-N 2.79Å; E114-R117 PolarHBondContact O-N 2.74Å; E114-R117 VanDerWaalsContact O-N 3.09Å; E114-R117 WeakPolarHBondContact OE2-CD 3.25Å; E114-R117 IonicContact OE2-CZ 2.65Å; E114-R117 IonicContact OE2-NE 3.18Å; E114-R117 IonicContact OE2-NH1 2.66Å; E114-R117 PolarHBondContact OE2-NH1 3.03Å; R117-L119 VanDerWaalsContact C-N 3.31Å; R117-L119 PolarHBondContact O-N 2.87Å; R117-H120 PolarHBondContact O-N 3.45Å; R117-A121 WeakPolarHBondContact O-CB 3.09Å; R117-A121 PolarHBondContact O-N 3.13Å
118R79.8Confident78.1Confident113 Ų11385.6 Ų85.643%0.42644%0.44SS..Hα-helixtrans-61.2-36.8174.3-64.2175.883.8170.125.5112.5E114 A122 D546E114-R118 WeakPolarHBondContact O-CB 3.3Å; E114-R118 VanDerWaalsContact O-CG 3.31Å; E114-R118 WeakPolarHBondContact O-CG 3.23Å; E114-R118 PolarHBondContact O-N 2.63Å; E114-R118 WeakPolarHBondContact OE1-CG 3.37Å; R118-A122 WeakPolarHBondContact O-CB 3.07Å; R118-A122 PolarHBondContact O-N 2.82Å; R118-D546 IonicContact CZ-OD1 3.9Å; R118-D546 VanDerWaalsContact CZ-OD1 3.27Å; R118-D546 IonicContact CZ-OD2 2.74Å; R118-D546 VanDerWaalsContact NH1-CG 3.29Å; R118-D546 IonicContact NH1-OD1 2.7Å; R118-D546 PolarHBondContact NH1-OD1 3.41Å; R118-D546 IonicContact NH1-OD2 3.13Å; R118-D546 PolarHBondContact NH1-OD2 2.71Å; R118-D546 IonicContact NH2-OD1 3.68Å; R118-D546 PolarHBondContact NH2-OD1 3.23Å; R118-D546 IonicContact NH2-OD2 2.6Å
119L81.1Confident78.9Confident96 Ų9683.7 Ų83.750%0.50344%0.438SS..Hα-helixtrans-68.6-41.2174.1-174.765.3000111.9N115 N116 R117 A122 L123N115-L119 VanDerWaalsContact O-CB 3.23Å; N115-L119 WeakPolarHBondContact O-CB 3.26Å; N115-L119 PolarHBondContact O-N 2.7Å; N116-L119 PolarHBondContact O-N 3.01Å; R117-L119 VanDerWaalsContact C-N 3.31Å; R117-L119 PolarHBondContact O-N 2.87Å; L119-A122 PolarHBondContact O-N 3.08Å; L119-L123 HydrophobicContact CG-CD1 4.26Å; L119-L123 WeakPolarHBondContact O-CB 3.46Å; L119-L123 VanDerWaalsContact O-CG 3.26Å; L119-L123 WeakPolarHBondContact O-CG 3.5Å; L119-L123 PolarHBondContact O-N 3.09Å
120H81.9Confident79.8Confident129 Ų12984.5 Ų84.560%0.59744%0.442SS*.Hα-helixtrans-67.2-42.6175.1-89.9-78.1000112.2N116 R117 L123 Q124N116-H120 WeakPolarHBondContact O-CB 3.29Å; N116-H120 PolarHBondContact O-CD2 2.94Å; N116-H120 PolarHBondContact O-N 2.88Å; R117-H120 PolarHBondContact O-N 3.45Å; H120-L123 PolarHBondContact O-N 2.97Å; H120-Q124 WeakPolarHBondContact O-CB 3.43Å; H120-Q124 PolarHBondContact O-N 3.33Å
121A82.2Confident80.5Confident60 Ų6083.7 Ų83.750%0.49644%0.443SS..Hα-helixtrans-63.9-40.5173.900000111.7R117 Q124 A125R117-A121 WeakPolarHBondContact O-CB 3.09Å; R117-A121 PolarHBondContact O-N 3.13Å; A121-Q124 PolarHBondContact O-N 2.79Å; A121-A125 VanDerWaalsContact O-CB 3.25Å; A121-A125 WeakPolarHBondContact O-CB 3.13Å; A121-A125 PolarHBondContact O-N 3.21Å
122A79.5Confident80.9Confident59 Ų5987.2 Ų87.249%0.48846%0.462SS..Hα-helixtrans-68.4-32.5174.100000112.9R118 L119 A126R118-A122 WeakPolarHBondContact O-CB 3.07Å; R118-A122 PolarHBondContact O-N 2.82Å; L119-A122 PolarHBondContact O-N 3.08Å; A122-A126 WeakPolarHBondContact O-CB 3.01Å; A122-A126 PolarHBondContact O-N 2.72Å
123L79.5Confident81.4Confident104 Ų10490.7 Ų90.755%0.54547%0.474SS..Hα-helixtrans-70.9-41.8172.4-77.7168.5000111.7L119 H120 A126 D127L119-L123 HydrophobicContact CG-CD1 4.26Å; L119-L123 WeakPolarHBondContact O-CB 3.46Å; L119-L123 VanDerWaalsContact O-CG 3.26Å; L119-L123 WeakPolarHBondContact O-CG 3.5Å; L119-L123 PolarHBondContact O-N 3.09Å; H120-L123 PolarHBondContact O-N 2.97Å; L123-A126 PolarHBondContact O-N 3.47Å; L123-D127 PolarHBondContact O-N 3.41Å
124Q84.9Confident82Confident120 Ų12091.9 Ų91.956%0.56148%0.481SS*.Hα-helixtrans-64.8-49.1175.5-177.1-179.5-28.200110.9H120 A121 A126 D127 E128H120-Q124 WeakPolarHBondContact O-CB 3.43Å; H120-Q124 PolarHBondContact O-N 3.33Å; A121-Q124 PolarHBondContact O-N 2.79Å; Q124-A126 PolarHBondContact O-N 3.5Å; Q124-D127 PolarHBondContact O-N 3.33Å; Q124-E128 HydrophobicContact CG-CG 4.46Å; Q124-E128 WeakPolarHBondContact CG-OE1 3.22Å; Q124-E128 PolarHBondContact NE2-OE1 2.72Å; Q124-E128 WeakPolarHBondContact O-CB 3.28Å; Q124-E128 WeakPolarHBondContact O-CG 3.49Å; Q124-E128 PolarHBondContact O-N 2.74Å
125A83.5Confident82.5Confident40 Ų4094.3 Ų94.333%0.33150%0.495SS..Hα-helixtrans-61.3-31.1175.600000112.5A121 Q129A121-A125 VanDerWaalsContact O-CB 3.25Å; A121-A125 WeakPolarHBondContact O-CB 3.13Å; A121-A125 PolarHBondContact O-N 3.21Å; A125-Q129 WeakPolarHBondContact O-CB 3.15Å; A125-Q129 WeakPolarHBondContact O-CG 3.35Å; A125-Q129 PolarHBondContact O-N 2.76Å
126A82.3Confident82.9Confident39 Ų3993.1 Ų93.132%0.32249%0.493SS..Hα-helixtrans-71.9-36.3172.200000112.7A122 L123 Q124 I130A122-A126 WeakPolarHBondContact O-CB 3.01Å; A122-A126 PolarHBondContact O-N 2.72Å; L123-A126 PolarHBondContact O-N 3.47Å; Q124-A126 PolarHBondContact O-N 3.5Å; A126-I130 WeakPolarHBondContact O-CB 3.46Å; A126-I130 WeakPolarHBondContact O-CD1 3.29Å; A126-I130 WeakPolarHBondContact O-CG1 3.33Å; A126-I130 PolarHBondContact O-N 3.46Å
127D85.9Confident83.4Confident104 Ų10494.3 Ų94.356%0.55649%0.494SS*.Hα-helixtrans-73.7-35.6177-153.346.7000111.7L123 Q124 I130 T131L123-D127 PolarHBondContact O-N 3.41Å; Q124-D127 PolarHBondContact O-N 3.33Å; D127-I130 PolarHBondContact O-N 3.05Å; D127-T131 WeakPolarHBondContact O-CB 3.21Å; D127-T131 PolarHBondContact O-N 2.79Å; D127-T131 PolarHBondContact O-OG1 2.8Å
128E86Confident83.7Confident109 Ų10995.5 Ų95.551%0.50950%0.498SS..Hα-helixtrans-62.6-48.5168.9-72.7169.8-171.800110.8Q124 I130 T131 E132Q124-E128 HydrophobicContact CG-CG 4.46Å; Q124-E128 WeakPolarHBondContact CG-OE1 3.22Å; Q124-E128 PolarHBondContact NE2-OE1 2.72Å; Q124-E128 WeakPolarHBondContact O-CB 3.28Å; Q124-E128 WeakPolarHBondContact O-CG 3.49Å; Q124-E128 PolarHBondContact O-N 2.74Å; E128-I130 PolarHBondContact O-N 3.24Å; E128-T131 WeakPolarHBondContact O-CB 3.47Å; E128-T131 PolarHBondContact O-N 2.82Å; E128-T131 VanDerWaalsContact O-N 3.16Å; E128-E132 WeakPolarHBondContact O-CB 3.12Å; E128-E132 PolarHBondContact O-N 2.76Å
129Q84Confident84Confident119 Ų11995 Ų9556%0.55650%0.504SS*.Hα-helixtrans-62.3-37.8173.3-77.3174.125.900113A125 T131 L133A125-Q129 WeakPolarHBondContact O-CB 3.15Å; A125-Q129 WeakPolarHBondContact O-CG 3.35Å; A125-Q129 PolarHBondContact O-N 2.76Å; Q129-T131 VanDerWaalsContact C-N 3.33Å; Q129-L133 VanDerWaalsContact O-CB 3.27Å; Q129-L133 WeakPolarHBondContact O-CB 3.23Å; Q129-L133 WeakPolarHBondContact O-CD1 3.15Å; Q129-L133 WeakPolarHBondContact O-CG 3.14Å; Q129-L133 PolarHBondContact O-N 3.27Å
130I84Confident84.1Confident96 Ų9695 Ų9549%0.49250%0.503SS..Hα-helixtrans-65.1-40.1174.3-76164.2000110.3A126 D127 E128 L133 V134A126-I130 WeakPolarHBondContact O-CB 3.46Å; A126-I130 WeakPolarHBondContact O-CD1 3.29Å; A126-I130 WeakPolarHBondContact O-CG1 3.33Å; A126-I130 PolarHBondContact O-N 3.46Å; D127-I130 PolarHBondContact O-N 3.05Å; E128-I130 PolarHBondContact O-N 3.24Å; I130-L133 PolarHBondContact O-N 2.69Å; I130-V134 WeakPolarHBondContact O-CB 3.27Å; I130-V134 VanDerWaalsContact O-CG2 3.25Å; I130-V134 WeakPolarHBondContact O-CG2 3.14Å; I130-V134 PolarHBondContact O-N 3.34Å
131T86.3Confident84.3Confident70 Ų7092.8 Ų92.843%0.42949%0.494SS..Hα-helixtrans-66.7-45.4177.6-60.30000111.2D127 E128 Q129 V134 L135D127-T131 WeakPolarHBondContact O-CB 3.21Å; D127-T131 PolarHBondContact O-N 2.79Å; D127-T131 PolarHBondContact O-OG1 2.8Å; E128-T131 WeakPolarHBondContact O-CB 3.47Å; E128-T131 PolarHBondContact O-N 2.82Å; E128-T131 VanDerWaalsContact O-N 3.16Å; Q129-T131 VanDerWaalsContact C-N 3.33Å; T131-V134 PolarHBondContact O-N 3.44Å; T131-L135 HydrophobicContact CG2-CD1 4.25Å; T131-L135 WeakPolarHBondContact O-CG 3.47Å; T131-L135 PolarHBondContact O-N 2.63Å
132E82.6Confident84.6Confident132 Ų13292.5 Ų92.562%0.61749%0.491SS*.Hα-helixtrans-59.6-46.1173.4-171.2-174.4-175.700111.4E128 V134 L135 S136E128-E132 WeakPolarHBondContact O-CB 3.12Å; E128-E132 PolarHBondContact O-N 2.76Å; E132-V134 VanDerWaalsContact C-N 3.31Å; E132-V134 PolarHBondContact O-N 3.13Å; E132-L135 PolarHBondContact O-N 3.16Å; E132-S136 VanDerWaalsContact O-CB 3.23Å; E132-S136 WeakPolarHBondContact O-CB 3.21Å; E132-S136 PolarHBondContact O-N 2.79Å
133L82.1Confident84.8Confident119 Ų11994.1 Ų94.162%0.62349%0.488SS*.Hα-helixtrans-63.4-33.7175.4-74.8168.7000112.6Q129 I130 K137Q129-L133 VanDerWaalsContact O-CB 3.27Å; Q129-L133 WeakPolarHBondContact O-CB 3.23Å; Q129-L133 WeakPolarHBondContact O-CD1 3.15Å; Q129-L133 WeakPolarHBondContact O-CG 3.14Å; Q129-L133 PolarHBondContact O-N 3.27Å; I130-L133 PolarHBondContact O-N 2.69Å; L133-K137 WeakPolarHBondContact O-CB 3.14Å; L133-K137 PolarHBondContact O-N 3.04Å
134V86Confident84.9Confident62 Ų6294.7 Ų94.738%0.37649%0.49SS..Hα-helixtrans-71.8-38.6174.5165.40000111.7I130 T131 E132 R138I130-V134 WeakPolarHBondContact O-CB 3.27Å; I130-V134 VanDerWaalsContact O-CG2 3.25Å; I130-V134 WeakPolarHBondContact O-CG2 3.14Å; I130-V134 PolarHBondContact O-N 3.34Å; T131-V134 PolarHBondContact O-N 3.44Å; E132-V134 VanDerWaalsContact C-N 3.31Å; E132-V134 PolarHBondContact O-N 3.13Å; V134-R138 VanDerWaalsContact O-CG 3.32Å; V134-R138 WeakPolarHBondContact O-CG 3.46Å; V134-R138 PolarHBondContact O-N 3.08Å
135L86.7Confident84.9Confident101 Ų10192.6 Ų92.653%0.52948%0.483SS..Hα-helixtrans-69-47.7175-70.2171.9000111.5T131 E132 K137 R138 L139T131-L135 HydrophobicContact CG2-CD1 4.25Å; T131-L135 WeakPolarHBondContact O-CG 3.47Å; T131-L135 PolarHBondContact O-N 2.63Å; E132-L135 PolarHBondContact O-N 3.16Å; L135-K137 VanDerWaalsContact C-N 3.32Å; L135-K137 PolarHBondContact O-N 3.33Å; L135-R138 WeakPolarHBondContact O-CB 3.14Å; L135-R138 PolarHBondContact O-N 2.83Å; L135-R138 VanDerWaalsContact O-N 3.09Å; L135-L139 PolarHBondContact O-N 2.72Å
136S85Confident85.1Confident57 Ų5797 Ų9740%0.39950%0.496SS..Hα-helixtrans-57.5-43.6173.41790000111.5E132 R138 L139 L140E132-S136 VanDerWaalsContact O-CB 3.23Å; E132-S136 WeakPolarHBondContact O-CB 3.21Å; E132-S136 PolarHBondContact O-N 2.79Å; S136-R138 PolarHBondContact O-N 2.83Å; S136-L139 PolarHBondContact O-N 2.75Å; S136-L140 WeakPolarHBondContact O-CB 3.19Å; S136-L140 WeakPolarHBondContact O-CG 3.25Å; S136-L140 PolarHBondContact O-N 2.7Å
137K87.4Confident85.2Confident115 Ų115101.1 Ų101.150%0.551%0.512SS..Hα-helixtrans-59.5-47.1172-176.4-167.1165.6-158.10112L133 L135 L139 L140 E141L133-K137 WeakPolarHBondContact O-CB 3.14Å; L133-K137 PolarHBondContact O-N 3.04Å; L135-K137 VanDerWaalsContact C-N 3.32Å; L135-K137 PolarHBondContact O-N 3.33Å; K137-L139 VanDerWaalsContact C-N 3.32Å; K137-L139 PolarHBondContact O-N 2.83Å; K137-L140 PolarHBondContact O-N 3.46Å; K137-E141 WeakPolarHBondContact CE-OE1 3.21Å; K137-E141 WeakPolarHBondContact CE-OE2 2.96Å; K137-E141 HydrophobicContact CG-CG 4.47Å; K137-E141 IonicContact NZ-OE1 3.98Å; K137-E141 PolarHBondContact NZ-OE1 3.33Å; K137-E141 IonicContact NZ-OE2 3.06Å; K137-E141 WeakPolarHBondContact O-CB 3.17Å; K137-E141 WeakPolarHBondContact O-CG 3.34Å; K137-E141 PolarHBondContact O-N 2.98Å
138R86.3Confident85.3Confident161 Ų161102 Ų10261%0.60851%0.508SS*.Hα-helixtrans-61.5-39.3177.9-76.8171.9178.1173.11.4111.8V134 L135 S136 E141 A142V134-R138 VanDerWaalsContact O-CG 3.32Å; V134-R138 WeakPolarHBondContact O-CG 3.46Å; V134-R138 PolarHBondContact O-N 3.08Å; L135-R138 WeakPolarHBondContact O-CB 3.14Å; L135-R138 PolarHBondContact O-N 2.83Å; L135-R138 VanDerWaalsContact O-N 3.09Å; S136-R138 PolarHBondContact O-N 2.83Å; R138-E141 PolarHBondContact O-N 3.32Å; R138-A142 WeakPolarHBondContact O-CB 3.13Å; R138-A142 PolarHBondContact O-N 3.44Å
139L86.5Confident85.4Confident103 Ų103102 Ų10254%0.53951%0.511SS..Hα-helixtrans-65.1-44.4175.8-176.762.1000111.7L135 S136 K137 A142 Q143L135-L139 PolarHBondContact O-N 2.72Å; S136-L139 PolarHBondContact O-N 2.75Å; K137-L139 VanDerWaalsContact C-N 3.32Å; K137-L139 PolarHBondContact O-N 2.83Å; L139-A142 WeakPolarHBondContact O-CB 3.31Å; L139-A142 PolarHBondContact O-N 2.78Å; L139-Q143 WeakPolarHBondContact O-CG 3.39Å; L139-Q143 PolarHBondContact O-N 2.68Å
140L83.6Confident85.5Confident95 Ų9599.3 Ų99.350%0.49751%0.506SS..Hα-helixtrans-66.2-36.8174.7-71.8169.4000112.6S136 K137 M144S136-L140 WeakPolarHBondContact O-CB 3.19Å; S136-L140 WeakPolarHBondContact O-CG 3.25Å; S136-L140 PolarHBondContact O-N 2.7Å; K137-L140 PolarHBondContact O-N 3.46Å; L140-M144 WeakPolarHBondContact O-CB 3.39Å; L140-M144 WeakPolarHBondContact O-CG 3.16Å; L140-M144 PolarHBondContact O-N 3.15Å
141E87Confident85.7Confident84 Ų84101.1 Ų101.139%0.39351%0.506SS..Hα-helixtrans-66.4-37172.8-76.4178.4153.800111.4K137 R138 N145K137-E141 WeakPolarHBondContact CE-OE1 3.21Å; K137-E141 WeakPolarHBondContact CE-OE2 2.96Å; K137-E141 HydrophobicContact CG-CG 4.47Å; K137-E141 IonicContact NZ-OE1 3.98Å; K137-E141 PolarHBondContact NZ-OE1 3.33Å; K137-E141 IonicContact NZ-OE2 3.06Å; K137-E141 WeakPolarHBondContact O-CB 3.17Å; K137-E141 WeakPolarHBondContact O-CG 3.34Å; K137-E141 PolarHBondContact O-N 2.98Å; R138-E141 PolarHBondContact O-N 3.32Å; E141-N145 WeakPolarHBondContact O-CB 3.47Å; E141-N145 VanDerWaalsContact O-CG 3.26Å; E141-N145 PolarHBondContact O-N 2.83Å; E141-N145 VanDerWaalsContact O-N 3.11Å; E141-N145 PolarHBondContact O-ND2 3.25Å
142A86.5Confident85.7Confident54 Ų54100.7 Ų100.745%0.44650%0.501SS..Hα-helixtrans-65.5-50.7172.300000112R138 L139 M144 N145 E146R138-A142 WeakPolarHBondContact O-CB 3.13Å; R138-A142 PolarHBondContact O-N 3.44Å; L139-A142 WeakPolarHBondContact O-CB 3.31Å; L139-A142 PolarHBondContact O-N 2.78Å; A142-M144 PolarHBondContact O-N 2.85Å; A142-N145 CarbonylContact O-C 3.52Å; A142-N145 PolarHBondContact O-N 2.84Å; A142-E146 PolarHBondContact O-N 2.66Å
143Q84.3Confident86Confident92 Ų9297.3 Ų97.343%0.4350%0.496SS..Hα-helixtrans-60.7-40.3177.3-72.9177.6-600112.4L139 N145 E146 L147L139-Q143 WeakPolarHBondContact O-CG 3.39Å; L139-Q143 PolarHBondContact O-N 2.68Å; Q143-N145 VanDerWaalsContact C-N 3.3Å; Q143-N145 PolarHBondContact O-N 3.48Å; Q143-E146 PolarHBondContact O-N 3.46Å; Q143-L147 WeakPolarHBondContact O-CB 3.47Å; Q143-L147 WeakPolarHBondContact O-CG 3.21Å; Q143-L147 PolarHBondContact O-N 2.65Å
144M81.7Confident86.1Confident116 Ų11697.3 Ų97.357%0.57149%0.493SS*.Hα-helixtrans-65.2-32173.6-80.3-155.6-61.500113.1L140 A142 R148L140-M144 WeakPolarHBondContact O-CB 3.39Å; L140-M144 WeakPolarHBondContact O-CG 3.16Å; L140-M144 PolarHBondContact O-N 3.15Å; A142-M144 PolarHBondContact O-N 2.85Å; M144-R148 VanDerWaalsContact O-CB 3.26Å; M144-R148 WeakPolarHBondContact O-CB 3.5Å; M144-R148 PolarHBondContact O-N 2.77Å
145N86.2Confident86Confident77 Ų7798 Ų9841%0.41249%0.494SS..Hα-helixtrans-75.2-38.3174.7-74.4-34.6000111.6E141 A142 Q143 R148 N149E141-N145 WeakPolarHBondContact O-CB 3.47Å; E141-N145 VanDerWaalsContact O-CG 3.26Å; E141-N145 PolarHBondContact O-N 2.83Å; E141-N145 VanDerWaalsContact O-N 3.11Å; E141-N145 PolarHBondContact O-ND2 3.25Å; A142-N145 CarbonylContact O-C 3.52Å; A142-N145 PolarHBondContact O-N 2.84Å; Q143-N145 VanDerWaalsContact C-N 3.3Å; Q143-N145 PolarHBondContact O-N 3.48Å; N145-R148 PolarHBondContact O-N 3.47Å; N145-R148 PolarHBondContact OD1-NH1 2.77Å; N145-N149 WeakPolarHBondContact O-CB 3.45Å; N145-N149 PolarHBondContact O-N 3.3Å; N145-N149 PolarHBondContact O-ND2 3.03Å; N145-N149 PolarHBondContact O-OD1 3.49Å
146E86.4Confident86.1Confident133 Ų13397.6 Ų97.662%0.62150%0.495SS*.Hα-helixtrans-62.2-48172.3-172.7176-170.600111.3A142 Q143 R148 N149 S150A142-E146 PolarHBondContact O-N 2.66Å; Q143-E146 PolarHBondContact O-N 3.46Å; E146-R148 VanDerWaalsContact C-N 3.32Å; E146-R148 PolarHBondContact O-N 3.07Å; E146-N149 PolarHBondContact O-N 2.96Å; E146-S150 WeakPolarHBondContact O-CB 3.17Å; E146-S150 PolarHBondContact O-N 3.31Å
147L84.6Confident86.1Confident125 Ų12598.7 Ų98.765%0.65449%0.494SS*.Hα-helixtrans-62.1-36.6174.8-72.3171.5000112.5Q143 R151Q143-L147 WeakPolarHBondContact O-CB 3.47Å; Q143-L147 WeakPolarHBondContact O-CG 3.21Å; Q143-L147 PolarHBondContact O-N 2.65Å; L147-R151 VanDerWaalsContact O-CB 3.24Å; L147-R151 WeakPolarHBondContact O-CB 3.5Å; L147-R151 PolarHBondContact O-N 3.05Å
148R88.1Confident85.9Confident123 Ų12395.3 Ų95.346%0.46449%0.487SS..Hα-helixtrans-64.5-47.1172.7-180179-67.7140.30.1111M144 N145 E146 R151 D152M144-R148 VanDerWaalsContact O-CB 3.26Å; M144-R148 WeakPolarHBondContact O-CB 3.5Å; M144-R148 PolarHBondContact O-N 2.77Å; N145-R148 PolarHBondContact O-N 3.47Å; N145-R148 PolarHBondContact OD1-NH1 2.77Å; E146-R148 VanDerWaalsContact C-N 3.32Å; E146-R148 PolarHBondContact O-N 3.07Å; R148-R151 PolarHBondContact O-N 2.73Å; R148-D152 WeakPolarHBondContact CG-OD2 3.5Å; R148-D152 VanDerWaalsContact O-CB 3.27Å; R148-D152 WeakPolarHBondContact O-CB 3.11Å; R148-D152 PolarHBondContact O-N 2.64Å
149N88.2Confident86.1Confident108 Ų10893.3 Ų93.358%0.57848%0.483SS*.Hα-helixtrans-63.6-43.4179.9-68.7-11.4000111.4N145 E146 D152 A153N145-N149 WeakPolarHBondContact O-CB 3.45Å; N145-N149 PolarHBondContact O-N 3.3Å; N145-N149 PolarHBondContact O-ND2 3.03Å; N145-N149 PolarHBondContact O-OD1 3.49Å; E146-N149 PolarHBondContact O-N 2.96Å; N149-D152 PolarHBondContact O-N 3.27Å; N149-A153 WeakPolarHBondContact O-CB 3.19Å; N149-A153 PolarHBondContact O-N 2.72Å
150S85.8Confident86.1Confident63 Ų6390.4 Ų90.444%0.44147%0.467SS..Hα-helixtrans-61.2-49.7175.2-168.60000111.5E146 D152 A153 E154E146-S150 WeakPolarHBondContact O-CB 3.17Å; E146-S150 PolarHBondContact O-N 3.31Å; S150-D152 VanDerWaalsContact C-N 3.33Å; S150-D152 PolarHBondContact O-N 2.59Å; S150-A153 PolarHBondContact O-N 2.68Å; S150-E154 WeakPolarHBondContact O-CG 3.46Å; S150-E154 PolarHBondContact O-N 2.81Å
151R87.5Confident86.1Confident133 Ų13391 Ų9150%0.50246%0.463SS..Hα-helixtrans-61.1-40.9176.8-175.6-15668.5-173.5-2.2112L147 R148 A153 E154 L155L147-R151 VanDerWaalsContact O-CB 3.24Å; L147-R151 WeakPolarHBondContact O-CB 3.5Å; L147-R151 PolarHBondContact O-N 3.05Å; R148-R151 PolarHBondContact O-N 2.73Å; R151-A153 VanDerWaalsContact C-N 3.34Å; R151-E154 PolarHBondContact O-N 3.47Å; R151-L155 VanDerWaalsContact O-CB 3.23Å; R151-L155 WeakPolarHBondContact O-CB 3.26Å; R151-L155 PolarHBondContact O-N 2.9Å
152D87.7Confident86.1Confident62 Ų6290.9 Ų90.933%0.33247%0.468SS..Hα-helixtrans-74.5-29-177.5-67.2-10.5000111R148 N149 S150 L155 V156R148-D152 WeakPolarHBondContact CG-OD2 3.5Å; R148-D152 VanDerWaalsContact O-CB 3.27Å; R148-D152 WeakPolarHBondContact O-CB 3.11Å; R148-D152 PolarHBondContact O-N 2.64Å; N149-D152 PolarHBondContact O-N 3.27Å; S150-D152 VanDerWaalsContact C-N 3.33Å; S150-D152 PolarHBondContact O-N 2.59Å; D152-L155 PolarHBondContact O-N 3.13Å; D152-V156 WeakPolarHBondContact O-CG2 3.49Å; D152-V156 PolarHBondContact O-N 3.48Å
153A87.7Confident86.1Confident60 Ų6093.4 Ų93.450%0.49647%0.465SS..Hα-helixtrans-67.5-47166.300000112.5N149 S150 R151 L155 V156 E157N149-A153 WeakPolarHBondContact O-CB 3.19Å; N149-A153 PolarHBondContact O-N 2.72Å; S150-A153 PolarHBondContact O-N 2.68Å; R151-A153 VanDerWaalsContact C-N 3.34Å; A153-L155 PolarHBondContact O-N 2.77Å; A153-V156 PolarHBondContact O-N 2.83Å; A153-V156 VanDerWaalsContact O-N 3.14Å; A153-E157 PolarHBondContact O-N 3.23Å
154E84.1Confident86.1Confident120 Ų12090 Ų9056%0.56145%0.453SS*.Hα-helixtrans-56.5-36.1171.5-76.3177.5-165.100111.8S150 R151 E157 A158S150-E154 WeakPolarHBondContact O-CG 3.46Å; S150-E154 PolarHBondContact O-N 2.81Å; R151-E154 PolarHBondContact O-N 3.47Å; E154-E157 PolarHBondContact O-N 3.11Å; E154-A158 WeakPolarHBondContact O-CB 3.49Å; E154-A158 PolarHBondContact O-N 2.78Å
155L84.4Confident86.2Confident77 Ų7786.5 Ų86.540%0.40344%0.442SS..Hα-helixtrans-76.5-31179.9-157.6157000111.6R151 D152 A153 K159R151-L155 VanDerWaalsContact O-CB 3.23Å; R151-L155 WeakPolarHBondContact O-CB 3.26Å; R151-L155 PolarHBondContact O-N 2.9Å; D152-L155 PolarHBondContact O-N 3.13Å; A153-L155 PolarHBondContact O-N 2.77Å; L155-K159 HydrophobicContact CD2-CD 3.89Å; L155-K159 HydrophobicContact CD2-CG 4.4Å; L155-K159 WeakPolarHBondContact O-CB 3.23Å; L155-K159 WeakPolarHBondContact O-CD 3.43Å; L155-K159 VanDerWaalsContact O-CG 3.24Å; L155-K159 WeakPolarHBondContact O-CG 3.28Å; L155-K159 PolarHBondContact O-N 3.26Å
156V88.3Confident86.1Confident91 Ų9187.9 Ų87.955%0.55245%0.446SS*.Hα-helixtrans-67.2-47.1166.9167.30000110.9D152 A153 A158 K159 E160D152-V156 WeakPolarHBondContact O-CG2 3.49Å; D152-V156 PolarHBondContact O-N 3.48Å; A153-V156 PolarHBondContact O-N 2.83Å; A153-V156 VanDerWaalsContact O-N 3.14Å; V156-A158 PolarHBondContact O-N 2.84Å; V156-K159 WeakPolarHBondContact O-CB 3.34Å; V156-K159 PolarHBondContact O-N 2.76Å; V156-K159 VanDerWaalsContact O-N 3.14Å; V156-E160 PolarHBondContact O-N 2.88Å
157E85.5Confident85.9Confident80 Ų8087 Ų8737%0.37444%0.438SS..Hα-helixtrans-61.6-43.5176.5-163.3-159.5-167.900110.8A153 E154 K159 E160 R161A153-E157 PolarHBondContact O-N 3.23Å; E154-E157 PolarHBondContact O-N 3.11Å; E157-K159 VanDerWaalsContact C-N 3.34Å; E157-K159 PolarHBondContact O-N 3.32Å; E157-E160 CarbonylContact O-C 3.48Å; E157-E160 PolarHBondContact O-N 2.99Å; E157-E160 VanDerWaalsContact O-N 3.16Å; E157-R161 WeakPolarHBondContact O-CB 3.07Å; E157-R161 WeakPolarHBondContact O-CG 3.08Å; E157-R161 PolarHBondContact O-N 3.5Å; E157-R161 IonicContact OE1-CZ 3.54Å; E157-R161 IonicContact OE1-NE 3.94Å; E157-R161 PolarHBondContact OE1-NE 3.19Å; E157-R161 IonicContact OE1-NH1 2.72Å; E157-R161 IonicContact OE1-NH2 2.66Å; E157-R161 PolarHBondContact OE1-NH2 3.3Å; E157-R161 IonicContact OE2-CZ 2.68Å; E157-R161 IonicContact OE2-NE 3.94Å; E157-R161 IonicContact OE2-NH1 3.13Å; E157-R161 PolarHBondContact OE2-NH1 3.03Å; E157-R161 IonicContact OE2-NH2 2.66Å; E157-R161 PolarHBondContact OE2-NH2 3.27Å
158A83.7Confident85.6Confident44 Ų4483.8 Ų83.836%0.36443%0.429SS..Hα-helixtrans-61.4-39.7174.100000111.9E154 V156 E160 R161 V162E154-A158 WeakPolarHBondContact O-CB 3.49Å; E154-A158 PolarHBondContact O-N 2.78Å; V156-A158 PolarHBondContact O-N 2.84Å; A158-E160 VanDerWaalsContact C-N 3.35Å; A158-R161 CarbonylContact O-C 3.59Å; A158-R161 PolarHBondContact O-N 3.1Å; A158-V162 WeakPolarHBondContact O-CG2 3.43Å; A158-V162 PolarHBondContact O-N 3.48Å
159K89.3Confident85.1Confident119 Ų11982.3 Ų82.352%0.51743%0.434SS..Hα-helixtrans-65.3-34.1173.4-80.9166.9176.5162.80112.8L155 V156 E157 R163L155-K159 HydrophobicContact CD2-CD 3.89Å; L155-K159 HydrophobicContact CD2-CG 4.4Å; L155-K159 WeakPolarHBondContact O-CB 3.23Å; L155-K159 WeakPolarHBondContact O-CD 3.43Å; L155-K159 VanDerWaalsContact O-CG 3.24Å; L155-K159 WeakPolarHBondContact O-CG 3.28Å; L155-K159 PolarHBondContact O-N 3.26Å; V156-K159 WeakPolarHBondContact O-CB 3.34Å; V156-K159 PolarHBondContact O-N 2.76Å; V156-K159 VanDerWaalsContact O-N 3.14Å; E157-K159 VanDerWaalsContact C-N 3.34Å; E157-K159 PolarHBondContact O-N 3.32Å; K159-R163 WeakPolarHBondContact O-CB 3.09Å; K159-R163 WeakPolarHBondContact O-CG 3.27Å; K159-R163 PolarHBondContact O-N 3.09Å; K159-R163 PolarHBondContact O-NE 2.7Å
160E86.9Confident84.7Confident43 Ų4381.2 Ų81.220%0.20143%0.427CS..Hα-helixtrans-75.2-39.1172.3-163.360.9-98.200111.4V156 E157 A158 V162 R163 A164 R167V156-E160 PolarHBondContact O-N 2.88Å; E157-E160 CarbonylContact O-C 3.48Å; E157-E160 PolarHBondContact O-N 2.99Å; E157-E160 VanDerWaalsContact O-N 3.16Å; A158-E160 VanDerWaalsContact C-N 3.35Å; E160-V162 PolarHBondContact O-N 2.86Å; E160-R163 VanDerWaalsContact CD-NH1 3.27Å; E160-R163 VanDerWaalsContact CD-NH2 3.34Å; E160-R163 PolarHBondContact O-N 3.39Å; E160-R163 IonicContact OE1-CZ 3.36Å; E160-R163 IonicContact OE1-NH1 3.53Å; E160-R163 PolarHBondContact OE1-NH1 3.5Å; E160-R163 VanDerWaalsContact OE1-NH1 3.13Å; E160-R163 IonicContact OE1-NH2 3.27Å; E160-R163 IonicContact OE2-CZ 2.78Å; E160-R163 IonicContact OE2-NH1 3.13Å; E160-R163 PolarHBondContact OE2-NH1 2.72Å; E160-R163 IonicContact OE2-NH2 3.23Å; E160-R163 PolarHBondContact OE2-NH2 2.73Å; E160-A164 VanDerWaalsContact O-CB 3.25Å; E160-A164 WeakPolarHBondContact O-CB 3.5Å; E160-A164 PolarHBondContact O-N 2.73Å; E160-R167 IonicContact OE1-CZ 3.42Å; E160-R167 IonicContact OE1-NH2 3.81Å; E160-R167 PolarHBondContact OE1-NH2 2.77Å; E160-R167 IonicContact OE2-NH2 2.79Å
161R84.2Confident84.2Confident107 Ų10781 Ų8140%0.40443%0.429SS..Hα-helixtrans-59.8-34.5171.4-72.2175.3173.9152.7-3.7111.9E157 A158 A165 K1152E157-R161 WeakPolarHBondContact O-CB 3.07Å; E157-R161 WeakPolarHBondContact O-CG 3.08Å; E157-R161 PolarHBondContact O-N 3.5Å; E157-R161 IonicContact OE1-CZ 3.54Å; E157-R161 IonicContact OE1-NE 3.94Å; E157-R161 PolarHBondContact OE1-NE 3.19Å; E157-R161 IonicContact OE1-NH1 2.72Å; E157-R161 IonicContact OE1-NH2 2.66Å; E157-R161 PolarHBondContact OE1-NH2 3.3Å; E157-R161 IonicContact OE2-CZ 2.68Å; E157-R161 IonicContact OE2-NE 3.94Å; E157-R161 IonicContact OE2-NH1 3.13Å; E157-R161 PolarHBondContact OE2-NH1 3.03Å; E157-R161 IonicContact OE2-NH2 2.66Å; E157-R161 PolarHBondContact OE2-NH2 3.27Å; A158-R161 CarbonylContact O-C 3.59Å; A158-R161 PolarHBondContact O-N 3.1Å; R161-A165 WeakPolarHBondContact O-CB 3.34Å; R161-A165 PolarHBondContact O-N 3.16Å; R161-K1152 HydrophobicContact CB-CD 4.36Å; R161-K1152 HydrophobicContact CG-CD 4.11Å; R161-K1152 PolarHBondContact O-NZ 3.03Å
162V86.6Confident83.2Confident82 Ų8277.1 Ų77.150%0.49743%0.425SS..Hα-helixtrans-70.7-56.4169.1171.30000110.9A158 E160 A164 A165 E166A158-V162 WeakPolarHBondContact O-CG2 3.43Å; A158-V162 PolarHBondContact O-N 3.48Å; E160-V162 PolarHBondContact O-N 2.86Å; V162-A164 VanDerWaalsContact C-N 3.34Å; V162-A164 PolarHBondContact O-N 2.99Å; V162-A165 CarbonylContact O-C 3.55Å; V162-A165 WeakPolarHBondContact O-CA 3.2Å; V162-A165 WeakPolarHBondContact O-CB 3.46Å; V162-A165 PolarHBondContact O-N 2.78Å; V162-E166 HydrophobicContact CG1-CG 4.3Å; V162-E166 PolarHBondContact O-N 3.33Å
163R87Confident82.3Confident106 Ų10677.4 Ų77.440%0.443%0.429SS..Hα-helixtrans-58.3-40.7-178.3-80.9-177.7-70.1115.44.9113.1K159 E160 A165 E166 R167K159-R163 WeakPolarHBondContact O-CB 3.09Å; K159-R163 WeakPolarHBondContact O-CG 3.27Å; K159-R163 PolarHBondContact O-N 3.09Å; K159-R163 PolarHBondContact O-NE 2.7Å; E160-R163 VanDerWaalsContact CD-NH1 3.27Å; E160-R163 VanDerWaalsContact CD-NH2 3.34Å; E160-R163 PolarHBondContact O-N 3.39Å; E160-R163 IonicContact OE1-CZ 3.36Å; E160-R163 IonicContact OE1-NH1 3.53Å; E160-R163 PolarHBondContact OE1-NH1 3.5Å; E160-R163 VanDerWaalsContact OE1-NH1 3.13Å; E160-R163 IonicContact OE1-NH2 3.27Å; E160-R163 IonicContact OE2-CZ 2.78Å; E160-R163 IonicContact OE2-NH1 3.13Å; E160-R163 PolarHBondContact OE2-NH1 2.72Å; E160-R163 IonicContact OE2-NH2 3.23Å; E160-R163 PolarHBondContact OE2-NH2 2.73Å; R163-A165 VanDerWaalsContact C-N 3.31Å; R163-A165 PolarHBondContact O-N 2.83Å; R163-E166 PolarHBondContact O-N 2.75Å; R163-R167 WeakPolarHBondContact O-CB 3.03Å; R163-R167 VanDerWaalsContact O-CG 3.28Å; R163-R167 WeakPolarHBondContact O-CG 3.28Å; R163-R167 PolarHBondContact O-N 2.75Å
164A85Confident81.1Confident20 Ų2083.4 Ų83.417%0.16544%0.439CS..Hα-helixtrans-71-23.6173.200000112.9E160 V162 A168 K1152E160-A164 VanDerWaalsContact O-CB 3.25Å; E160-A164 WeakPolarHBondContact O-CB 3.5Å; E160-A164 PolarHBondContact O-N 2.73Å; V162-A164 VanDerWaalsContact C-N 3.34Å; V162-A164 PolarHBondContact O-N 2.99Å; A164-A168 WeakPolarHBondContact O-CB 3.24Å; A164-A168 PolarHBondContact O-N 3.26Å; A164-K1152 HydrophobicContact CB-CD 3.9Å
165A82.8Confident79.6Confident43 Ų4381.2 Ų81.236%0.35544%0.437SS..Hα-helixtrans-77.2-38.1171.700000110.9R161 V162 R163 A168 V169R161-A165 WeakPolarHBondContact O-CB 3.34Å; R161-A165 PolarHBondContact O-N 3.16Å; V162-A165 CarbonylContact O-C 3.55Å; V162-A165 WeakPolarHBondContact O-CA 3.2Å; V162-A165 WeakPolarHBondContact O-CB 3.46Å; V162-A165 PolarHBondContact O-N 2.78Å; R163-A165 VanDerWaalsContact C-N 3.31Å; R163-A165 PolarHBondContact O-N 2.83Å; A165-A168 CarbonylContact O-C 3.58Å; A165-A168 PolarHBondContact O-N 2.8Å; A165-V169 WeakPolarHBondContact O-CB 3.16Å; A165-V169 VanDerWaalsContact O-CG2 3.31Å; A165-V169 WeakPolarHBondContact O-CG2 3.34Å; A165-V169 PolarHBondContact O-N 3.17Å
166E83.3Confident78Confident106 Ų10682.6 Ų82.650%0.49545%0.448SS..Hα-helixtrans-62.2-45.2167.4-64.9173.8153.100110.9V162 R163 A168 V169 I170V162-E166 HydrophobicContact CG1-CG 4.3Å; V162-E166 PolarHBondContact O-N 3.33Å; R163-E166 PolarHBondContact O-N 2.75Å; E166-A168 VanDerWaalsContact C-N 3.3Å; E166-A168 PolarHBondContact O-N 3.19Å; E166-V169 PolarHBondContact O-N 2.74Å; E166-I170 WeakPolarHBondContact O-CB 3.5Å; E166-I170 WeakPolarHBondContact O-CD1 3.37Å; E166-I170 WeakPolarHBondContact O-CG1 3.16Å; E166-I170 PolarHBondContact O-N 2.85Å
167R83.5Confident76Confident115 Ų11584.1 Ų84.143%0.43445%0.453SS..Hα-helixtrans-55-45.5171.8-72.5-173.1-113.9-171-1.5110.3E160 R163 A171E160-R167 IonicContact OE1-CZ 3.42Å; E160-R167 IonicContact OE1-NH2 3.81Å; E160-R167 PolarHBondContact OE1-NH2 2.77Å; E160-R167 IonicContact OE2-NH2 2.79Å; R163-R167 WeakPolarHBondContact O-CB 3.03Å; R163-R167 VanDerWaalsContact O-CG 3.28Å; R163-R167 WeakPolarHBondContact O-CG 3.28Å; R163-R167 PolarHBondContact O-N 2.75Å; R167-A171 VanDerWaalsContact O-CB 3.25Å; R167-A171 WeakPolarHBondContact O-CB 3.48Å; R167-A171 PolarHBondContact O-N 2.79Å
168A78.6Confident73.6Confident57 Ų5784.9 Ų84.947%0.47147%0.467SS..Hα-helixtrans-68-40.9177.400000113.6A164 A165 E166 A171 A172A164-A168 WeakPolarHBondContact O-CB 3.24Å; A164-A168 PolarHBondContact O-N 3.26Å; A165-A168 CarbonylContact O-C 3.58Å; A165-A168 PolarHBondContact O-N 2.8Å; E166-A168 VanDerWaalsContact C-N 3.3Å; E166-A168 PolarHBondContact O-N 3.19Å; A168-A171 PolarHBondContact O-N 3.26Å; A168-A172 VanDerWaalsContact O-CB 3.3Å; A168-A172 WeakPolarHBondContact O-CB 3.05Å; A168-A172 PolarHBondContact O-N 2.71Å
169V77.6Confident71.1Confident93 Ų9387.4 Ų87.456%0.56448%0.481SS*.Hα-helixtrans-69.1-37.1175.9167.70000110.9A165 E166 T173A165-V169 WeakPolarHBondContact O-CB 3.16Å; A165-V169 VanDerWaalsContact O-CG2 3.31Å; A165-V169 WeakPolarHBondContact O-CG2 3.34Å; A165-V169 PolarHBondContact O-N 3.17Å; E166-V169 PolarHBondContact O-N 2.74Å; V169-T173 WeakPolarHBondContact O-CB 3.42Å; V169-T173 PolarHBondContact O-N 3.34Å; V169-T173 PolarHBondContact O-OG1 3.45Å
170I79.6Confident68.4Low85 Ų8590 Ų9044%0.43649%0.493SS..Hα-helixtrans-69.1-38.9172.8-69.7165.8000110.1E166 R174E166-I170 WeakPolarHBondContact O-CB 3.5Å; E166-I170 WeakPolarHBondContact O-CD1 3.37Å; E166-I170 WeakPolarHBondContact O-CG1 3.16Å; E166-I170 PolarHBondContact O-N 2.85Å; I170-R174 HydrophobicContact CG2-CG 4.27Å; I170-R174 WeakPolarHBondContact O-CB 3.06Å; I170-R174 WeakPolarHBondContact O-CG 3.08Å; I170-R174 PolarHBondContact O-N 2.81Å
171A74Confident65.6Low58 Ų5894.1 Ų94.148%0.47952%0.523SS..Hα-helixtrans-65.2-45.4173.700000111.7R167 A168 R174 S175R167-A171 VanDerWaalsContact O-CB 3.25Å; R167-A171 WeakPolarHBondContact O-CB 3.48Å; R167-A171 PolarHBondContact O-N 2.79Å; A168-A171 PolarHBondContact O-N 3.26Å; A171-R174 PolarHBondContact O-N 2.69Å; A171-S175 VanDerWaalsContact O-CB 3.26Å; A171-S175 WeakPolarHBondContact O-CB 3.44Å; A171-S175 PolarHBondContact O-N 3.11Å
172A67.9Low63Low51 Ų5195 Ų9542%0.42154%0.54SS..Hα-helixtrans-62.8-45.2174.200000111.7A168 S175 V176A168-A172 VanDerWaalsContact O-CB 3.3Å; A168-A172 WeakPolarHBondContact O-CB 3.05Å; A168-A172 PolarHBondContact O-N 2.71Å; A172-S175 WeakPolarHBondContact O-CB 3.12Å; A172-S175 PolarHBondContact O-N 3.41Å; A172-V176 WeakPolarHBondContact O-CB 3.41Å; A172-V176 VanDerWaalsContact O-CG2 3.29Å; A172-V176 WeakPolarHBondContact O-CG2 3.33Å; A172-V176 PolarHBondContact O-N 3.45Å
173T67.5Low60.3Low69 Ų6996.1 Ų96.142%0.42355%0.551SS.*Hα-helixtrans-69.7-33.2179-58.70000111.8V169 N177V169-T173 WeakPolarHBondContact O-CB 3.42Å; V169-T173 PolarHBondContact O-N 3.34Å; V169-T173 PolarHBondContact O-OG1 3.45Å; T173-N177 WeakPolarHBondContact CG2-ND2 3.45Å; T173-N177 WeakPolarHBondContact O-CB 3.33Å; T173-N177 PolarHBondContact O-N 3.28Å; T173-N177 PolarHBondContact O-ND2 3.36Å; T173-N177 VanDerWaalsContact O-ND2 3.12Å
174R64.1Low57.6Low185 Ų18598.6 Ų98.670%0.69857%0.568SS**Hα-helixtrans-71.6-35.3169.9-74.9175.8-178.7-171.43.5111.8I170 A171 S178I170-R174 HydrophobicContact CG2-CG 4.27Å; I170-R174 WeakPolarHBondContact O-CB 3.06Å; I170-R174 WeakPolarHBondContact O-CG 3.08Å; I170-R174 PolarHBondContact O-N 2.81Å; A171-R174 PolarHBondContact O-N 2.69Å; R174-S178 WeakPolarHBondContact O-CA 3.35Å; R174-S178 WeakPolarHBondContact O-CB 2.85Å; R174-S178 PolarHBondContact O-N 3.35Å
175S51.9Low55Low74 Ų74104.2 Ų104.252%0.51759%0.588SS.*Hα-helixtrans-63.4-51.2172.9-179.60000111.2A171 A172 N177 S178 C179A171-S175 VanDerWaalsContact O-CB 3.26Å; A171-S175 WeakPolarHBondContact O-CB 3.44Å; A171-S175 PolarHBondContact O-N 3.11Å; A172-S175 WeakPolarHBondContact O-CB 3.12Å; A172-S175 PolarHBondContact O-N 3.41Å; S175-N177 PolarHBondContact O-N 3.41Å; S175-S178 PolarHBondContact O-N 3.03Å; S175-C179 PolarHBondContact O-N 3.32Å
176V50.5Low52.6Low106 Ų106106.7 Ų106.764%0.64260%0.596SS**Hα-helixtrans-62.9-42.4177.7171.30000111.6A172 S178A172-V176 WeakPolarHBondContact O-CB 3.41Å; A172-V176 VanDerWaalsContact O-CG2 3.29Å; A172-V176 WeakPolarHBondContact O-CG2 3.33Å; A172-V176 PolarHBondContact O-N 3.45Å; V176-S178 VanDerWaalsContact C-N 3.35Å
177N46.4Very low50.5Low124 Ų124108.2 Ų108.266%0.66360%0.601SS**Hα-helixtrans-83.2-4.4177-67.9-40.5000114.6T173 S175T173-N177 WeakPolarHBondContact CG2-ND2 3.45Å; T173-N177 WeakPolarHBondContact O-CB 3.33Å; T173-N177 PolarHBondContact O-N 3.28Å; T173-N177 PolarHBondContact O-ND2 3.36Å; T173-N177 VanDerWaalsContact O-ND2 3.12Å; S175-N177 PolarHBondContact O-N 3.41Å
178S34.8Very low48.1Very low95 Ų95109.9 Ų109.966%0.66461%0.613SS**Hα-helixtrans-98.6-3.9171.1-165.30000112.9R174 S175 V176 K180R174-S178 WeakPolarHBondContact O-CA 3.35Å; R174-S178 WeakPolarHBondContact O-CB 2.85Å; R174-S178 PolarHBondContact O-N 3.35Å; S175-S178 PolarHBondContact O-N 3.03Å; V176-S178 VanDerWaalsContact C-N 3.35Å; S178-K180 PolarHBondContact O-N 3.16Å
179C32.2Very low45.9Very low98 Ų98110.4 Ų110.466%0.66262%0.618SS**  trans-8968.4167.8-72.70000111.8S175S175-C179 PolarHBondContact O-N 3.32Å
180K32Very low43.8Very low173 Ų173114.8 Ų114.875%0.75263%0.632SS**  trans-56.8126.7170.9-75.5179.9177.7171.60110.4S178 V182S178-K180 PolarHBondContact O-N 3.16Å; K180-V182 HydrophobicContact CB-CG2 3.97Å; K180-V182 PolarHBondContact O-N 3.17Å
181P28.1Very low41.6Very low130 Ų130114.9 Ų114.984%0.84464%0.64SS**  trans-72.7101172.229.3-33000109.6
182V29.3Very low39.8Very low125 Ų125121.6 Ų121.676%0.75865%0.653SS**  trans-121.777.2176.7-169.60000110.7K180K180-V182 HydrophobicContact CB-CG2 3.97Å; K180-V182 PolarHBondContact O-N 3.17Å
183S29.4Very low38.4Very low105 Ų105126.2 Ų126.273%0.73467%0.666SS**  trans-76.2129.6147.156.50000109
184E30.5Very low37.2Very low159 Ų159128.8 Ų128.874%0.74368%0.684SS**  -170.5179.2121.5-104.6-174.1140.900112
185K31.6Very low36Very low137 Ų137123 Ų12360%0.59668%0.682SS**  trans-109.9164.5-164-47.1151.3-179.3159.70111.3N2175 C2177K185-N2175 PolarHBondContact NZ-O 2.95Å; K185-C2177 PolarHBondContact O-SG 3.41Å
186D32.9Very low35.5Very low95 Ų95127 Ų12751%0.50870%0.696SS.*  -149.3159.9127.5-140.2-21.8000113N2176D186-N2176 PolarHBondContact OD1-ND2 2.86Å
187K38Very low34.9Very low139 Ų139129.4 Ų129.460%0.60470%0.704SS**  trans-156.3128.2179.7-77-172.5176.7-178.10111.8
188Q32.9Very low34.3Very low149 Ų149126.5 Ų126.570%0.69670%0.704SS**  trans-175.9160.1148.6-111.6173.37300112.5
189A33.3Very low34.4Very low69 Ų69129.5 Ų129.557%0.5771%0.707SS**  cis-148.6157.41.700000114.5
190H33.9Very low34.5Very low184 Ų184131.6 Ų131.685%0.85271%0.707SS**  trans113144.5174.8-73.246.1000112.5
191S32.6Very low34.4Very low87 Ų87129.3 Ų129.361%0.60870%0.703SS**  cis-168.4177.9-19.763.60000108.1
192R36.4Very low34.4Very low200 Ų200129 Ų12976%0.75570%0.699SS**  cis-161.8141.37.2-158.6179.7141.7150.7-0.5111.3
193E37.7Very low34.5Very low147 Ų147130.4 Ų130.469%0.68770%0.7SS**  trans65.2164.2154.6-86.9-17513100120.6
194P43Very low34.5Very low123 Ų123129.5 Ų129.580%0.79969%0.694SS**  trans-136176.3-130.245.7-30.8000118.3
195G38.9Very low34.4Very low65 Ų65129 Ų12967%0.6770%0.696SS**  trans159.7115.7145.500000121.5
196I41.4Very low34.5Very low157 Ų157127.7 Ų127.781%0.80570%0.701SS**  78.5119.9129.3-61.7175.9000122
197L36.9Very low34.3Very low156 Ų156128.3 Ų128.382%0.81771%0.713SS**  trans60.1144.9155.1-69.3165.5000120.9
198G35.2Very low33.9Very low63 Ų63130.7 Ų130.765%0.64973%0.726SS**  cis166.7171.6-9.400000116.3
199H37.3Very low33.7Very low159 Ų159129 Ų12974%0.73673%0.727SS**  trans78113162.7-71.6-42.6000122.8
200Q33.9Very low33.3Very low141 Ų141135.1 Ų135.166%0.65974%0.741SS**  101.9116.1117.7-78.3-178.349.400121.9
201N30.1Very low33Very low126 Ų126133.2 Ų133.267%0.67473%0.734SS**  trans78.7122.8132.3-58.9-12.7000118.8
202V28.3Very low32.8Very low124 Ų124134.6 Ų134.675%0.75274%0.741SS**  cis111.4154.932.1161.60000109.7
203I29.5Very low32.3Very low154 Ų154132.3 Ų132.379%0.7974%0.743SS**  trans81.6134.4-177.6-45.3-175.9000114.1
204S29.5Very low31.8Very low85 Ų85129 Ų12959%0.59474%0.74SS**  cis-173.1148.8-3561.70000110.7
205N28.6Very low31Very low149 Ų149132.4 Ų132.480%0.79774%0.743SS**  trans62.9171152.2-64.2-19.9000117.9
206P34.5Very low30.5Very low109 Ų109137.7 Ų137.771%0.70875%0.747SS**  -131.8179.5-52.339.2-25.3000112.8
207S29.3Very low29.9Very low108 Ų108138.4 Ų138.476%0.75575%0.745SS**  trans26.3117.8146.9-53.30000120.6
208Q29.7Very low29.5Very low189 Ų189137 Ų13788%0.88375%0.745SS**  -168.9152.4104.2-105.1174.59.600114.7
209T27.4Very low29.1Very low114 Ų114139.6 Ų139.670%0.69974%0.743SS**  trans-98.7127.7178.3-55.80000110.6
210F25.6Very low28.7Very low198 Ų198139.8 Ų139.887%0.86874%0.744SS**  trans-153.197.9146.7-93.9-78.9000107.1
211M27.6Very low28.5Very low144 Ų144140 Ų14071%0.70975%0.75SS**  67.4117.487.7-81-68.2-169.100113.9
212P27.3Very low28.2Very low115 Ų115143 Ų14375%0.74776%0.76SS**  trans-77.1123.117431.6-32.5000110.5A214P212-A214 PolarHBondContact O-N 3.46Å
213L27.1Very low28.1Very low153 Ų153141.3 Ų141.380%0.80175%0.754SS**  trans-83.169.1175.2-77175.4000111.9F215L213-F215 PolarHBondContact O-N 3.28Å
214A27.3Very low28.1Very low76 Ų76145.1 Ų145.163%0.62876%0.758SS**  trans-68.5105.6153.400000108.5P212 K216P212-A214 PolarHBondContact O-N 3.46Å; A214-K216 VanDerWaalsContact C-N 3.27Å; A214-K216 PolarHBondContact O-N 2.76Å
215F26.8Very low28Very low196 Ų196147.5 Ų147.586%0.8676%0.764SS**  trans-69.290.7164.6-98.6-81.9000108.8L213L213-F215 PolarHBondContact O-N 3.28Å
216K27.3Very low27.9Very low175 Ų175151 Ų15176%0.76177%0.768SS**  trans-62.2144.1178.9-69.9177.4177.5176.30110.8A214A214-K216 VanDerWaalsContact C-N 3.27Å; A214-K216 PolarHBondContact O-N 2.76Å
217K30Very low27.8Very low172 Ų172151.9 Ų151.975%0.74877%0.771SS**  trans-40.8134.9163.1-56.1-174.8176.5-166.40111.7L219K217-L219 HydrophobicContact CB-CB 4.42Å; K217-L219 HydrophobicContact CB-CG 4.08Å; K217-L219 WeakPolarHBondContact O-CB 3.38Å
218P27.2Very low27.8Very low128 Ų128151.5 Ų151.583%0.83177%0.765SS**  trans-79.989.4130.331.7-23000106.4
219L27.4Very low27.7Very low116 Ų116149.6 Ų149.661%0.60776%0.759SS**  44.476.460.1-84.5167000111.5K217K217-L219 HydrophobicContact CB-CB 4.42Å; K217-L219 HydrophobicContact CB-CG 4.08Å; K217-L219 WeakPolarHBondContact O-CB 3.38Å
220Q29.3Very low27.8Very low163 Ų163151.2 Ų151.276%0.76277%0.769SS**SBend34.1128.4120.6-66.9171.6-44.500117.2
221N28Very low27.9Very low147 Ų147145.7 Ų145.779%0.78676%0.761SS**  trans82.556.5160.2-54.6-24.7000118.6
222H24.1Very low27.9Very low188 Ų188148 Ų14887%0.8777%0.767SS**  -130.8107.1121.8-85.7-50.5000107.9
223S27.2Very low28Very low89 Ų89146 Ų14662%0.62276%0.756SS**  80.983.450.885.20000114.1
224R28.8Very low28.2Very low234 Ų234149.9 Ų149.988%0.88376%0.761SS**  trans71.5149.8168.7-63-180168.3140-0.8117.2
225N27.2Very low28.5Very low134 Ų134152.7 Ų152.772%0.71777%0.766SS**  trans77.658.6166.5-55.92.8000118.1
226Y26.6Very low28.7Very low223 Ų223149.5 Ų149.588%0.87576%0.758SS**  -141.471.7116.9-108.8-73.6000109.3T228Y226-T228 VanDerWaalsContact C-N 3.35Å; Y226-T228 PolarHBondContact O-N 2.69Å
227T32.1Very low28.9Very low127 Ų127150.9 Ų150.978%0.77976%0.764SS**  trans-87.673.8-178.5-54.60000109.1
228T30.4Very low29.4Very low101 Ų101150.6 Ų150.662%0.6277%0.771SS**  trans-161.7144175.2-24.20000110.7Y226Y226-T228 VanDerWaalsContact C-N 3.35Å; Y226-T228 PolarHBondContact O-N 2.69Å
229L28.2Very low29.5Very low148 Ų148149 Ų14978%0.77576%0.763SS**SBendtrans75.64.2170.6-52.3-178.6000119.8
230T28.8Very low29.9Very low148 Ų148151.9 Ų151.991%0.90878%0.778SS**SBendtrans-10665.4147.444.10000109.1
231A27.4Very low30.4Very low83 Ų83151.1 Ų151.169%0.68678%0.779SS**  trans-162.759.7178.700000110.3
232F28.3Very low30.6Very low192 Ų192150.5 Ų150.584%0.84277%0.772SS**  trans-113.5116.9145.4-86.8-81.7000105.1
233S28.2Very low31.2Very low74 Ų74149.3 Ų149.352%0.51777%0.771SS.*  trans-69.3155174.729.90000110.3D235S233-D235 WeakPolarHBondContact CB-OD2 3.41Å; S233-D235 PolarHBondContact O-N 3.19Å
234Y31.2Very low31.6Very low233 Ų233150 Ų15091%0.91477%0.772SS**SBendtrans-86.724.7164.4-97.2-93.7000111.1
235D34Very low32Very low135 Ų135146.4 Ų146.472%0.72277%0.771SS**  trans-10329.5-171.5-50.5-42.7000111.8S233S233-D235 WeakPolarHBondContact CB-OD2 3.41Å; S233-D235 PolarHBondContact O-N 3.19Å
236D30.4Very low32.7Very low129 Ų129147.5 Ų147.569%0.6978%0.776SS**SBendtrans-147.339.4-176.1-109.5-32.8000111.8
237F31.6Very low33.4Very low205 Ų205145.5 Ų145.590%0.89978%0.775SS**SBendtrans-140.49160.1-111.5-72.6000115
238D40.7Very low33.8Very low165 Ų165145.3 Ų145.388%0.88277%0.774SS**  trans-10790.2161.4-80.7-41000108.9
239S30.7Very low34.3Very low95 Ų95146.5 Ų146.566%0.66478%0.776SS**  trans-16458.7169.645.20000112.6
240L35.1Very low34.8Very low177 Ų177147 Ų14793%0.92777%0.772SS**  trans-139.728.4154.7-122.8173.2000113.6
241D38.9Very low35.2Very low146 Ų146147.7 Ų147.778%0.78177%0.765SS**  trans-67153.7141-89.4-20.3000109.4
242E33.1Very low35.5Very low135 Ų135150.2 Ų150.263%0.63177%0.766SS**  cis-132.9178.1-13.4-63.1-167.6-169.800108.4T244E242-T244 WeakPolarHBondContact OE2-CB 2.96Å; E242-T244 PolarHBondContact OE2-OG1 3.15Å
243D37.4Very low35.8Very low162 Ų162145.3 Ų145.387%0.86676%0.755SS**  trans-144.951.6155.5-124.8-0.5000108.9D245D243-D245 PolarHBondContact O-N 2.81Å
244T33.9Very low36Very low103 Ų103149.4 Ų149.463%0.63277%0.766SS**  trans-95.974.8-175.9-26.70000111.3E242 D246E242-T244 WeakPolarHBondContact OE2-CB 2.96Å; E242-T244 PolarHBondContact OE2-OG1 3.15Å; T244-D246 PolarHBondContact O-N 3.08Å
245D38.4Very low36.2Very low160 Ų160145.1 Ų145.186%0.85676%0.757SS**  trans-68.489.7175.8-86.5-31.2000112.1D243D243-D245 PolarHBondContact O-N 2.81Å
246D42.2Very low36Very low157 Ų157144.1 Ų144.184%0.8476%0.756SS**  trans-128.9126.8158.8-109.2-34.2000109.8T244T244-D246 PolarHBondContact O-N 3.08Å
247E39.7Very low35.9Very low181 Ų181142.6 Ų142.685%0.84676%0.76SS**  trans-79.1131.3-175-61.3-171.315900112.5
248T40.6Very low35.8Very low122 Ų122137.1 Ų137.175%0.74875%0.753SS**  168.3110103.537.10000115.6
249D41.2Very low35.3Very low126 Ų126135.5 Ų135.567%0.67475%0.749SS**  70129121.2-140.81.2000123.3
250K40.1Very low35.1Very low158 Ų158137.3 Ų137.369%0.68775%0.751SS**  trans95.994.9153.2-58.6-166.3177.364.70124
251H37.3Very low34.8Very low163 Ų163136.6 Ų136.676%0.75575%0.748SS**  85.590.7115.3-96.9-115.2000123.5
252L33.1Very low34.2Very low137 Ų137133.2 Ų133.272%0.71775%0.747SS**  81132.3109.1-97.2160.3000124.9
253S34.7Very low34Very low88 Ų88134.9 Ų134.962%0.61576%0.755SS**  trans86.7111147.3-77.20000122.3
254E33Very low33.6Very low160 Ų160132.6 Ų132.675%0.74874%0.743SS**  39.2144.1105.3-71.5-171.9118.800120.3
255M33.8Very low33.4Very low144 Ų144134.3 Ų134.371%0.70975%0.748SS**  cis-162.1153.916.2-136.8-163.3-172.700113.2
256T29.4Very low33.1Very low114 Ų114132.8 Ų132.870%0.69974%0.739SS**  trans52.4110.915149.30000122.6
257A29.1Very low32.6Very low96 Ų96131 Ų13179%0.79373%0.73SS**  86.4135.8112.600000123.4
258A29Very low32.3Very low91 Ų91128.8 Ų128.875%0.75272%0.723SS**  trans91.2122.7139.700000121.6
259V30.1Very low31.9Very low130 Ų130129.7 Ų129.779%0.78872%0.722SS**  trans85.7124.9139.9168.40000120.1
260D28Very low31.4Very low134 Ų134129 Ų12972%0.71772%0.723SS**  trans55.7134.5153.4-78.7-28.3000122.9
261L27.8Very low31Very low162 Ų162128.9 Ų128.985%0.84872%0.724SS**  trans45.8116.4133.8-56.9167.8000119.5
262G27.4Very low30.7Very low74 Ų74126.9 Ų126.976%0.76372%0.719SS**  trans156.6103.1147.200000116.9
263E28.3Very low30.6Very low170 Ų170129 Ų12979%0.79472%0.723SS**  26.9125.6124.5-83.6-171.7-164.800121.2
264N28.4Very low30.4Very low115 Ų115132.6 Ų132.662%0.61573%0.73SS**  trans79.2130.4132.5-59.7-25.8000120.6
265N30.8Very low30.3Very low139 Ų139129.5 Ų129.574%0.74373%0.726SS**  trans74.5148.6143.6-58.7-11.3000117.7
266L31.3Very low30.1Very low128 Ų128129.4 Ų129.467%0.6773%0.728SS**  cis-156.3149.1-5.5-143.176.3000111.2
267D30.8Very low30.3Very low120 Ų120129.1 Ų129.164%0.64273%0.726SS**  trans44.6133.1134.4-74.81.9000125.5
268L33.5Very low30.2Very low133 Ų133133.2 Ų133.270%0.69673%0.729SS**  trans67.1159.3132.9-58.9168.5000118.4V270L268-V270 HydrophobicContact CD2-CG2 4.11Å
269L31.9Very low30.3Very low142 Ų142133 Ų13374%0.74373%0.727SS**  cis-122.4159.63.7-84.589000109.5
270V31.1Very low30.2Very low112 Ų112134.3 Ų134.368%0.67972%0.724SS**  cis79.7147.940.8-178.40000113.7L268L268-V270 HydrophobicContact CD2-CG2 4.11Å
271E32.8Very low30.3Very low155 Ų155134.9 Ų134.972%0.72472%0.721SS**  trans84.8151.9-179.8-50.9-155.6128.900117
272N30.4Very low30.3Very low121 Ų121134.1 Ų134.165%0.64771%0.713SS**  cis-165.6133.5-29.6-95.6-32.8000106.5
273K30.1Very low30.4Very low181 Ų181137.2 Ų137.279%0.78771%0.711SS**  76.8151.488.6-145.2-177.8-174.1-177.50115.8
274E31.4Very low30.4Very low163 Ų163133.6 Ų133.676%0.76270%0.704SS**  trans91.687.3161.7-57.4-173.8176.500122
275S31.7Very low30.5Very low96 Ų96134.3 Ų134.367%0.67171%0.712SS**  56.6150.5114.670.30000125.5
276N29.8Very low30.5Very low142 Ų142132.2 Ų132.276%0.75971%0.714SS**  trans101.6118.6138.5-81.4-7.9000123.2
277V32.1Very low30.4Very low108 Ų108130.4 Ų130.466%0.65572%0.718SS**  85.6110.1124.4172.30000121.1
278E27Very low30.4Very low181 Ų181131.3 Ų131.385%0.84672%0.723SS**  trans50.4154133.4-56-175.8110.200124.6
279A30.7Very low30.4Very low87 Ų87131 Ų13172%0.71972%0.722SS**  trans89.6103.3141.800000120.9
280E29.1Very low30.4Very low157 Ų157131.1 Ų131.173%0.73472%0.723SS**  61.7145.5124.6-77.6-159.5-16800123.6
281K30.1Very low30.6Very low147 Ų147129.4 Ų129.464%0.63972%0.721SS**  trans81.5109.1145.9-84-167.9177.572.20121.9
282E28.2Very low30.6Very low146 Ų146129 Ų12968%0.68272%0.724SS**  63.8152.7110.4-71.8-172.2120.500122.1
283I29.7Very low30.9Very low139 Ų139127.8 Ų127.871%0.71372%0.717SS**  trans80.683.2153.3-68.6151.5000117.8
284S28.1Very low31.1Very low94 Ų94128.5 Ų128.566%0.65771%0.714SS**  84.8137.5110.5-60.20000123.5
285T29.1Very low31.2Very low129 Ų129127.7 Ų127.779%0.79171%0.71SS**  trans69.4102.3138.350.20000121.4
286A30.8Very low31.4Very low95 Ų95128.4 Ų128.479%0.78571%0.707SS**  58.5108.6112.400000120.9
287A29.2Very low31.6Very low91 Ų91128.8 Ų128.875%0.75270%0.704SS**  trans-139131.2132.400000107.3
288N31.3Very low31.7Very low138 Ų138131.8 Ų131.874%0.73871%0.711SS**  59.8104.259.7-68.2-4.2000109.8
289N33.3Very low32.1Very low126 Ų126129.1 Ų129.167%0.67471%0.71SS**  176.8157.868.4-99.4-7.9000112
290D33.5Very low32.4Very low145 Ų145129.9 Ų129.978%0.77571%0.708SS**  trans56.4145.1139.7-51.4-26000120.6
291A34Very low32.6Very low77 Ų77130.1 Ų130.164%0.63671%0.711SS**  cis-156.1153.79.600000113.2
292D34.2Very low32.5Very low145 Ų145130.5 Ų130.578%0.77572%0.715SS**  trans62.5146.2132.4-80.1-4.7000121.1
293I35.8Very low32.7Very low97 Ų97128.7 Ų128.750%0.49772%0.719SS.*  cis-159.6135.812.7-129.5160.1000113.3
294R34.4Very low32.8Very low195 Ų195127.7 Ų127.774%0.73672%0.724SS**  trans62.8152148.4-68.2169.6-153.4165.512.5120.4
295H34.3Very low33.1Very low146 Ų146131 Ų13168%0.67673%0.731SS**  cis-166.2155-15.3-120-18.5000111.2
296N35.1Very low33.2Very low112 Ų112132.3 Ų132.360%0.59973%0.728SS**  trans72.6146.6139.6-68.56.4000121.8
297Q33.2Very low33.1Very low149 Ų149133.9 Ų133.970%0.69672%0.724SS**  cis-168.3174.3-29.3-137.4169.3-24.800111.2
298E34.2Very low33.2Very low171 Ų171135.7 Ų135.780%0.79972%0.721SS**  trans82106.1156.5-73.4172.5173.100119.7
299C36Very low33.1Very low125 Ų125134.5 Ų134.585%0.84572%0.718SS**  trans-86.3-146.4162.4-35.50000108.4
300P37.6Very low32.9Very low104 Ų104137.5 Ų137.568%0.67573%0.726SS**  cis-143.2175.510.747.6-28.8000117.5
301M32Very low32.7Very low161 Ų161135.2 Ų135.279%0.79372%0.721SS**  trans47.2153.5132.4-69.9162.2160.100121.5
302E29.4Very low32.5Very low155 Ų155139.4 Ų139.472%0.72473%0.725SS**  cis-157172.814.1-139.9158.6-147.300113.8
303S31.1Very low32.3Very low109 Ų109138.3 Ų138.376%0.76272%0.719SS**  trans51.6115.6152.958.50000122.1
304S32.2Very low32.2Very low118 Ų118140.7 Ų140.783%0.82573%0.73SS**  trans-89.8139.7150.655.60000110.7
305M35.1Very low32Very low163 Ų163137.7 Ų137.780%0.80373%0.728SS**  trans-151.4111159.2-144.7166.2-17200112.2
306E30.5Very low31.8Very low156 Ų156137 Ų13773%0.72973%0.73SS**  trans41.1140.4139.9-59.8173.4156.800122.2
307D29.8Very low31.5Very low128 Ų128137 Ų13768%0.68473%0.734SS**  trans91.9132.1133.1-99.528.7000123.2
308N30.7Very low31.4Very low129 Ų129135.3 Ų135.369%0.6973%0.734SS**  trans71150.1146.8-68.3-45.4000119.7
309V29Very low31.1Very low114 Ų114132.1 Ų132.169%0.69173%0.73SS**  cis152.6124.9-16.6137.10000105.6
310F28.3Very low30.6Very low188 Ų188131 Ų13183%0.82572%0.724SS**  trans67.4132.4158-91-117.4000122.3
311S30.6Very low30.1Very low98 Ų98131.2 Ų131.269%0.68573%0.728SS**  trans72.6166.1154.6-35.80000116
312K28.9Very low30Very low164 Ų164129 Ų12971%0.71373%0.728SS**  cis-15616210.1-161128.8179.1169.50111.2
313D29.5Very low30.4Very low123 Ų123127 Ų12766%0.65873%0.729SS**  trans22.5150.8143.4-57.6-0.9000120.3
314M34Very low30Very low146 Ų146127 Ų12772%0.71973%0.728SS**  cis-172.5166.32.7-113.4-72.9-174.400108.1
315D30.6Very low29.7Very low132 Ų132130.8 Ų130.871%0.70673%0.731SS**  trans62.2166.2153.4-76.6-51.4000119.5
316N30.2Very low29.5Very low132 Ų132128.7 Ų128.771%0.70673%0.727SS**  cis-178.9-170.4-31.9-162.8-27.9000107.9
317V29.8Very low29.7Very low112 Ų112124.7 Ų124.768%0.67973%0.727SS**  trans77.774.7158.4-165.20000118.7
318T29.1Very low29.7Very low113 Ų113127 Ų12769%0.69373%0.734SS**  49.5117.1122.7640000123.4
319S28Very low29.7Very low104 Ų104126.8 Ų126.873%0.72774%0.737SS**  78.8140118.776.50000124.6
320S27.2Very low29.8Very low103 Ų103128.4 Ų128.472%0.7274%0.741SS**  trans99.1134.7137760000122.4
321S27.1Very low30Very low108 Ų108125.3 Ų125.376%0.75573%0.733SS**  trans61.4107.4156.6490000122.5
322S29.4Very low29.7Very low113 Ų113125 Ų12579%0.7973%0.731SS**  5.8159121.1-48.40000121
323P36.5Very low29.8Very low115 Ų115123.1 Ų123.175%0.74773%0.733SS**  cis-142-169.9-20.837.4-16.6000115.8
324S24.7Very low29.9Very low107 Ų107122.6 Ų122.675%0.74874%0.739SS**  trans95.9138.4144.979.60000122.6
325F25.9Very low29.9Very low199 Ų199121.1 Ų121.187%0.87374%0.74SS**  trans60.8146.8147.6-110.3-146.6000118.8
326V30.2Very low29.6Very low119 Ų119118.9 Ų118.972%0.72174%0.74SS**  cis-153.5143.426.8-177.80000111.8
327G33.4Very low29.5Very low72 Ų72120.3 Ų120.374%0.74275%0.747SS**  trans62.8175.1143.800000120.9
328E30.3Very low29.3Very low176 Ų176118.9 Ų118.982%0.82274%0.742SS**  cis-166.1107.9-19.6-156.3162.9-170.600105.7
329V30.5Very low29.2Very low124 Ų124117.9 Ų117.975%0.75274%0.739SS**  84.9130.173.2166.60000114.3
330L31.1Very low29.4Very low148 Ų148115.8 Ų115.878%0.77572%0.722SS**  trans71.2156.7173.8-66.3165.6000117.3
331D32.1Very low29.8Very low123 Ų123114.9 Ų114.966%0.65871%0.714SS**  cis-146.21767-141-48.5000114
332S25.5Very low29.9Very low92 Ų92119.2 Ų119.264%0.64371%0.714SS**  trans-50.1163.9172.355.40000116.2
333V31Very low29.8Very low124 Ų124121.6 Ų121.675%0.75271%0.71SS**  -173.6144.881.8157.20000111.2
334S31.6Very low29.4Very low112 Ų112121.3 Ų121.378%0.78371%0.711SS**  trans-99148.2159.9-56.50000109.6
335P33.5Very low29.6Very low115 Ų115124.3 Ų124.375%0.74772%0.718SS**  -162.9162.28442.4-22000119.7
336A25.1Very low30Very low86 Ų86119.9 Ų119.971%0.71171%0.709SS**  trans60.9166.913600000123.9
337L27.5Very low30Very low162 Ų162120 Ų12085%0.84871%0.705SS**  trans74.4129.6173.9-45.7-180000114.2
338S25.8Very low29.8Very low81 Ų81124.4 Ų124.457%0.56671%0.706SS**  cis65.9122.646.3-155.10000111.8
339S27.2Very low29.8Very low92 Ų92121 Ų12164%0.64370%0.698SS**  cis-152.9-175.421.457.30000112.5
340T32.8Very low29.8Very low60 Ų60121.4 Ų121.437%0.36870%0.7SS.*  trans-54.6162.8164.645.20000113.2M1284T340-M1284 VanDerWaalsContact CB-SD 3.55Å; T340-M1284 HydrophobicContact CG2-CG 4.31Å; T340-M1284 HydrophobicContact CG2-SD 4.05Å
341P35.8Very low29.8Very low85 Ų85120.6 Ų120.655%0.55270%0.701SS**  cis-153.4-169.634.748.5-28.7000119M1284P341-M1284 HydrophobicContact CB-CE 3.72Å; P341-M1284 HydrophobicContact CB-SD 3.33Å; P341-M1284 WeakPolarHBondContact CB-SD 3.38Å
342R28Very low29.7Very low199 Ų199120.3 Ų120.375%0.75170%0.704SS**  trans74109153.9-73.4179.1179.8-166.4-0.3122.6
343K27.9Very low30.2Very low163 Ų163120.1 Ų120.171%0.70970%0.701SS**  49.9131.1128.4-61.1-174.5179.2-176.20122.1
344S26.8Very low30Very low109 Ų109123.8 Ų123.876%0.76271%0.707SS**  trans106.9122.5140.777.20000121
345L29.4Very low29.8Very low170 Ų170123.6 Ų123.689%0.8971%0.706SS**  trans67.3161.2156.2-8483.8000120.9
346P34.9Very low29.4Very low106 Ų106123.9 Ų123.969%0.68871%0.709SS**  trans-129.8-163.5-150.643.8-26.7000116.4
347N29.3Very low29.6Very low121 Ų121123.5 Ų123.565%0.64771%0.706SS**  trans89.7121.6164.3-76.845.4000120.3
348E30Very low29.8Very low164 Ų164121.1 Ų121.177%0.76669%0.694SS**  59.4142.6124.3-65.2-169.5111.500122.3
349T30.8Very low29.9Very low104 Ų104123.8 Ų123.864%0.63870%0.701SS**  cis-161.4175.6-13.5-67.40000108.1
350V29.8Very low30.1Very low133 Ų133122.9 Ų122.981%0.80670%0.695SS**  trans65.9151.3169-108.20000115.8
351V31.6Very low30Very low132 Ų132124.1 Ų124.180%0.870%0.699SS**  cis-136.9165.517.6-172.40000111.6
352T29.6Very low29.8Very low116 Ų116127.5 Ų127.571%0.71271%0.712SS**  trans-122.2-170.6-177.8550000111.2
353P36.7Very low29.9Very low89 Ų89123.3 Ų123.358%0.57871%0.708SS**  cis-134.2-179.1-41.827-4.7000115.2
354F26.8Very low30Very low200 Ų200122 Ų12288%0.87771%0.709SS**  trans69.4158.4163.5-54.7-62.6000118.3
355S26.6Very low30.1Very low109 Ų109123 Ų12376%0.76271%0.706SS**  cis-148.9-167.79-155.90000114.4
356C25.7Very low30Very low121 Ų121120.3 Ų120.382%0.81870%0.696SS**  trans-78.5-173.3-169.8-47.20000115.1
357A29.2Very low29.7Very low77 Ų77122.6 Ų122.664%0.63670%0.702SS**  cis-168.4158.614.600000115.9
358N30.5Very low29.5Very low113 Ų113120.1 Ų120.160%0.60471%0.705SS**  trans62164.4136.5-59.88.2000126.5H2379N358-H2379 PolarHBondContact OD1-CE1 2.77Å; N358-H2379 PolarHBondContact OD1-NE2 3.12Å
359L28.6Very low29.4Very low136 Ų136123.6 Ų123.671%0.71271%0.711SS**  trans73.8-178.4164.9-63.1157.9000118.6R2380L359-R2380 VanDerWaalsContact C-NH2 3.3Å; L359-R2380 PolarHBondContact O-NH1 3.37Å; L359-R2380 PolarHBondContact O-NH2 2.77Å
360S32.1Very low29.1Very low74 Ų74126.6 Ų126.652%0.51772%0.723SS.*  -164.4156.8-71-85.90000111.5
361D31.3Very low29Very low86 Ų86125.6 Ų125.646%0.4672%0.723SS.*  cis-162.8-133.9-21.9-84-31000108.4R2380 S2381D361-R2380 WeakPolarHBondContact OD1-CD 3.24Å; D361-R2380 IonicContact OD1-CZ 3.71Å; D361-R2380 IonicContact OD1-NE 3.16Å; D361-R2380 IonicContact OD1-NH1 2.73Å; D361-R2380 PolarHBondContact OD1-NH1 2.68Å; D361-R2380 WeakPolarHBondContact OD2-CD 3.37Å; D361-S2381 PolarHBondContact OD2-OG 3.15Å
362L31Very low28.7Very low156 Ų156126.4 Ų126.482%0.81772%0.722SS**  trans80.9127.6-174.7-66.591.1000116.5
363T30.4Very low28.8Very low110 Ų110128.8 Ų128.868%0.67573%0.73SS**  cis84.9128.831.571.60000114.6
364N29.2Very low28.3Very low136 Ų136133.3 Ų133.373%0.72774%0.74SS**  cis-123.3-13810-64.8-19.1000111.3
365D29.5Very low28.5Very low131 Ų131130.1 Ų130.170%0.70174%0.738SS**  cis-165.5168.8-0-132.6-38.7000116.8
366V27.7Very low28.6Very low112 Ų112130.9 Ų130.968%0.67974%0.738SS**  trans57.6101.7150.9177.40000122.9
367L27.2Very low28.8Very low155 Ų155130.8 Ų130.881%0.81274%0.735SS**  47.3107.2126.5-59.5167.9000124
368G25.3Very low28.8Very low69 Ų69137.6 Ų137.671%0.71175%0.746SS**  86.7-168.3121.800000119.5
369W28Very low28.8Very low236 Ų236138.8 Ų138.889%0.89475%0.751SS**  trans65.1107.1-176.3-49.573000113
370N24.3Very low29Very low167 Ų167141.2 Ų141.289%0.89376%0.756SS**  cis70.177.526.4-132.622.7000114
371S28.4Very low28.8Very low113 Ų113146 Ų14679%0.7977%0.77SS**  trans-162.211716756.10000113.9
372D25.7Very low28.8Very low149 Ų149149.7 Ų149.780%0.79779%0.785SS**  trans-62.5155162.5-58.6-97.8000112.9
373L29.8Very low28.9Very low165 Ų165150.7 Ų150.786%0.86479%0.785SS**  trans174.5107.1141.1-95.6152.3000109.1
374K27.6Very low29Very low185 Ų185151.1 Ų151.180%0.80478%0.78SS**  549265.7-81.6-174.5175.1169.40116.7
375T30.3Very low29.2Very low133 Ų133151.9 Ų151.982%0.81678%0.776SS**  trans-177.9150.9147.524.90000109.2
376T29.7Very low29.3Very low124 Ų124153.6 Ų153.676%0.76178%0.78SS**  cis-161.5152.1-349.20000106.9
377P30.1Very low29.5Very low119 Ų119153.3 Ų153.377%0.77378%0.779SS**  trans-83.1163.6-172.634.6-36.4000113.7
378Y28.9Very low29.8Very low220 Ų220153.2 Ų153.286%0.86378%0.779SS**  trans-136.8144.2163.5-141.2-86.7000111.6
379I30Very low30.2Very low139 Ų139156.3 Ų156.371%0.71378%0.775SS**  trans-115.2137.5-176.4-62.9165.6000108.8
380K32Very low30.8Very low186 Ų186151.5 Ų151.581%0.80977%0.771SS**  trans-146.4154156.5-84.6-150.2167.6-159.90111.5
381Q27.8Very low31.8Very low174 Ų174147.7 Ų147.781%0.81375%0.754SS**  trans-109.4-159.9179.6-61.1165.8-9100109.4
382E32.5Very low32.8Very low165 Ų165145 Ų14577%0.77174%0.735SS**  trans80.7102.5179.8-58.8159.2-173.900111.5
383E31.8Very low34.3Very low176 Ų176144.4 Ų144.482%0.82273%0.725SS**  84.1143.387-78177165.400112.3
384E32.3Very low36.2Very low120 Ų120140.6 Ų140.656%0.56171%0.709SS**  cis-141.4-135.613.8-145.5-171.2157.900113.6R2511E384-R2511 VanDerWaalsContact O-CZ 3.29Å; E384-R2511 PolarHBondContact O-NH1 2.95Å; E384-R2511 PolarHBondContact O-NH2 2.84Å
385K33.5Very low38.2Very low151 Ų151135.3 Ų135.366%0.65769%0.69SS**  trans-90.9179.9-173-58.3142-171.4150.80110.8
386E32Very low40Very low167 Ų167135.1 Ų135.178%0.7868%0.675SS**  cis-154.2154.128-87-169.6105.400113.5
387V32.5Very low42.2Very low107 Ų107133.1 Ų133.165%0.64866%0.659SS**  trans50.1100.5135.9-176.60000119.7
388N33.4Very low44.5Very low153 Ų153133.2 Ų133.282%0.81864%0.644SS**  -176119.7105.2-96-49.2000110.1
389E34.5Very low46.8Very low134 Ų134127.1 Ų127.163%0.62663%0.626SS**  trans-96115.9-177.9-173169.3-14200109.7V391 Y2509E389-V391 PolarHBondContact O-N 3.1Å; E389-Y2509 WeakPolarHBondContact OE2-CE1 3.43Å; E389-Y2509 VanDerWaalsContact OE2-CZ 3.26Å; E389-Y2509 PolarHBondContact OE2-OH 2.83Å
390V40.1Very low49.2Very low135 Ų135123.8 Ų123.882%0.81861%0.609SS**  trans-87.6108.8176.1-1800000107.8S392V390-S392 PolarHBondContact O-N 3.24Å
391V44.7Very low51.6Low86 Ų86120 Ų12052%0.52160%0.597SS.*  trans-56.7130.9171.1-176.30000108.5E389 K393 D395E389-V391 PolarHBondContact O-N 3.1Å; V391-K393 PolarHBondContact O-N 2.68Å; V391-D395 HydrophobicContact CG1-CB 4.16Å
392S49.1Very low54.2Low58 Ų58116.2 Ų116.241%0.40658%0.58SS.*  trans-50.7138.7174.2171.20000110.4V390 V394 D395 Y396V390-S392 PolarHBondContact O-N 3.24Å; S392-V394 PolarHBondContact O-N 2.96Å; S392-V394 VanDerWaalsContact O-N 3.16Å; S392-V394 PolarHBondContact OG-N 2.72Å; S392-D395 WeakPolarHBondContact CB-OD2 3.14Å; S392-D395 PolarHBondContact O-N 2.78Å; S392-Y396 WeakPolarHBondContact O-CB 3.35Å; S392-Y396 PolarHBondContact O-N 3.08Å
393K58.6Low56.3Low135 Ų135113.7 Ų113.759%0.58757%0.569SS**Hα-helixtrans-56.4-35.1177.5-168.9-171.7177-165.80111.4V391 L397V391-K393 PolarHBondContact O-N 2.68Å; K393-L397 HydrophobicContact CG-CD1 4.21Å; K393-L397 WeakPolarHBondContact O-CB 3.11Å; K393-L397 VanDerWaalsContact O-CG 3.27Å; K393-L397 WeakPolarHBondContact O-CG 3.07Å; K393-L397 PolarHBondContact O-N 2.7Å
394V68.9Low58.6Low86 Ų86109.2 Ų109.252%0.52155%0.549SS..Hα-helixtrans-67.5-43.8177.3179.40000111.5S392 L397 R398S392-V394 PolarHBondContact O-N 2.96Å; S392-V394 VanDerWaalsContact O-N 3.16Å; S392-V394 PolarHBondContact OG-N 2.72Å; V394-L397 PolarHBondContact O-N 3.34Å; V394-R398 WeakPolarHBondContact O-CB 3.41Å; V394-R398 PolarHBondContact O-N 2.89Å
395D70.4Confident61Low74 Ų74110.4 Ų110.440%0.39655%0.554SS.*Hα-helixtrans-76.1-28.4179.8-58.4-46.5000111.8V391 S392 R398 L399V391-D395 HydrophobicContact CG1-CB 4.16Å; S392-D395 WeakPolarHBondContact CB-OD2 3.14Å; S392-D395 PolarHBondContact O-N 2.78Å; D395-R398 IonicContact OD1-CZ 3.67Å; D395-R398 IonicContact OD1-NH1 3.32Å; D395-R398 PolarHBondContact OD1-NH1 3.03Å; D395-L399 WeakPolarHBondContact O-CB 2.97Å; D395-L399 PolarHBondContact O-N 3.45Å
396Y68.4Low63.1Low129 Ų129108.3 Ų108.351%0.50655%0.55SS..Hα-helixtrans-69.6-38.8171.4-176.7-105.2000112.1S392 L400S392-Y396 WeakPolarHBondContact O-CB 3.35Å; S392-Y396 PolarHBondContact O-N 3.08Å; Y396-L400 HydrophobicContact CD1-CD1 3.99Å; Y396-L400 HydrophobicContact CE1-CD1 3.53Å; Y396-L400 HydrophobicContact CE1-CG 4.31Å; Y396-L400 WeakPolarHBondContact O-CG 3.48Å; Y396-L400 PolarHBondContact O-N 3.26Å; Y396-L400 VanDerWaalsContact O-N 3.07Å
397L74Confident65.4Low81 Ų81106.7 Ų106.742%0.42454%0.536SS..Hα-helixtrans-67.6-49.3172.8-73.7169.4000110.9K393 V394 L399 L400 D401K393-L397 HydrophobicContact CG-CD1 4.21Å; K393-L397 WeakPolarHBondContact O-CB 3.11Å; K393-L397 VanDerWaalsContact O-CG 3.27Å; K393-L397 WeakPolarHBondContact O-CG 3.07Å; K393-L397 PolarHBondContact O-N 2.7Å; V394-L397 PolarHBondContact O-N 3.34Å; L397-L399 PolarHBondContact O-N 2.83Å; L397-L400 CarbonylContact O-C 3.57Å; L397-L400 WeakPolarHBondContact O-CA 3.4Å; L397-L400 WeakPolarHBondContact O-CB 3.43Å; L397-L400 PolarHBondContact O-N 3.47Å; L397-D401 VanDerWaalsContact O-CG 3.26Å; L397-D401 PolarHBondContact O-N 3.25Å
398R78.7Confident67.6Low121 Ų121107.9 Ų107.946%0.45754%0.535SS..Hα-helixtrans-55.6-40.3175.2-166.7-173.5-60.5112.95.7112.2V394 D395 L400 D401 E402V394-R398 WeakPolarHBondContact O-CB 3.41Å; V394-R398 PolarHBondContact O-N 2.89Å; D395-R398 IonicContact OD1-CZ 3.67Å; D395-R398 IonicContact OD1-NH1 3.32Å; D395-R398 PolarHBondContact OD1-NH1 3.03Å; R398-L400 VanDerWaalsContact C-N 3.32Å; R398-L400 PolarHBondContact O-N 3.15Å; R398-D401 PolarHBondContact O-N 2.86Å; R398-E402 WeakPolarHBondContact CD-OE1 3.47Å; R398-E402 HydrophobicContact CG-CG 4.47Å; R398-E402 WeakPolarHBondContact CG-OE1 3.22Å; R398-E402 WeakPolarHBondContact O-CB 3.15Å; R398-E402 VanDerWaalsContact O-CG 3.31Å; R398-E402 WeakPolarHBondContact O-CG 3.37Å; R398-E402 PolarHBondContact O-N 2.68Å
399L77.8Confident69.7Low92 Ų92106 Ų10648%0.48252%0.521SS..Hα-helixtrans-68.9-27.2176-163.577.2000113.1D395 L397 M403D395-L399 WeakPolarHBondContact O-CB 2.97Å; D395-L399 PolarHBondContact O-N 3.45Å; L397-L399 PolarHBondContact O-N 2.83Å; L399-M403 WeakPolarHBondContact O-CB 3.34Å; L399-M403 VanDerWaalsContact O-CG 3.27Å; L399-M403 WeakPolarHBondContact O-CG 3.4Å; L399-M403 PolarHBondContact O-N 3.08Å; L399-M403 VanDerWaalsContact O-N 3.08Å
400L80.8Confident71.7Confident70 Ų70104.2 Ų104.237%0.36652%0.515SS..Hα-helixtrans-75.5-39.3171.4-77.2173.2000111.8Y396 L397 R398 M403 E404Y396-L400 HydrophobicContact CD1-CD1 3.99Å; Y396-L400 HydrophobicContact CE1-CD1 3.53Å; Y396-L400 HydrophobicContact CE1-CG 4.31Å; Y396-L400 WeakPolarHBondContact O-CG 3.48Å; Y396-L400 PolarHBondContact O-N 3.26Å; Y396-L400 VanDerWaalsContact O-N 3.07Å; L397-L400 CarbonylContact O-C 3.57Å; L397-L400 WeakPolarHBondContact O-CA 3.4Å; L397-L400 WeakPolarHBondContact O-CB 3.43Å; L397-L400 PolarHBondContact O-N 3.47Å; R398-L400 VanDerWaalsContact C-N 3.32Å; R398-L400 PolarHBondContact O-N 3.15Å; L400-M403 CarbonylContact O-C 3.47Å; L400-M403 WeakPolarHBondContact O-CB 3.14Å; L400-M403 PolarHBondContact O-N 2.83Å; L400-E404 PolarHBondContact O-N 2.81Å
401D81.7Confident73.4Confident106 Ų106100.8 Ų100.857%0.56749%0.492SS*.Hα-helixtrans-66.3-49.1176.9-57.3-34.8000110.3L397 R398 M403 E404 E405L397-D401 VanDerWaalsContact O-CG 3.26Å; L397-D401 PolarHBondContact O-N 3.25Å; R398-D401 PolarHBondContact O-N 2.86Å; D401-M403 PolarHBondContact O-N 2.84Å; D401-E404 PolarHBondContact O-N 3.02Å; D401-E404 VanDerWaalsContact O-N 3.14Å; D401-E405 WeakPolarHBondContact O-CB 3.48Å; D401-E405 PolarHBondContact O-N 2.66Å
402E82.3Confident74.8Confident95 Ų95101.8 Ų101.844%0.44449%0.494SS..Hα-helixtrans-57-36.7170.5-73.8173.8-159.200111.6R398 L406R398-E402 WeakPolarHBondContact CD-OE1 3.47Å; R398-E402 HydrophobicContact CG-CG 4.47Å; R398-E402 WeakPolarHBondContact CG-OE1 3.22Å; R398-E402 WeakPolarHBondContact O-CB 3.15Å; R398-E402 VanDerWaalsContact O-CG 3.31Å; R398-E402 WeakPolarHBondContact O-CG 3.37Å; R398-E402 PolarHBondContact O-N 2.68Å; E402-L406 VanDerWaalsContact O-CB 3.25Å; E402-L406 WeakPolarHBondContact O-CB 3.38Å; E402-L406 WeakPolarHBondContact O-CD1 3.46Å; E402-L406 WeakPolarHBondContact O-CG 3.17Å; E402-L406 PolarHBondContact O-N 2.66Å
403M77.3Confident75.7Confident112 Ų112103.8 Ų103.855%0.55250%0.5SS*.Hα-helixtrans-71.1-36.7175.5-91.7-172.751.500113.6L399 L400 D401 R407L399-M403 WeakPolarHBondContact O-CB 3.34Å; L399-M403 VanDerWaalsContact O-CG 3.27Å; L399-M403 WeakPolarHBondContact O-CG 3.4Å; L399-M403 PolarHBondContact O-N 3.08Å; L399-M403 VanDerWaalsContact O-N 3.08Å; L400-M403 CarbonylContact O-C 3.47Å; L400-M403 WeakPolarHBondContact O-CB 3.14Å; L400-M403 PolarHBondContact O-N 2.83Å; D401-M403 PolarHBondContact O-N 2.84Å; M403-R407 WeakPolarHBondContact O-CB 3.36Å; M403-R407 PolarHBondContact O-N 2.93Å
404E80.9Confident76.1Confident82 Ų82104.1 Ų104.138%0.38350%0.497SS..Hα-helixtrans-78.9-32.7178.7-166.765.2-172.800111.3L400 D401 R407 Q408L400-E404 PolarHBondContact O-N 2.81Å; D401-E404 PolarHBondContact O-N 3.02Å; D401-E404 VanDerWaalsContact O-N 3.14Å; E404-R407 CarbonylContact O-C 3.59Å; E404-R407 PolarHBondContact O-N 3.26Å; E404-R407 IonicContact OE1-CZ 3.99Å; E404-R407 IonicContact OE1-NH1 3.6Å; E404-R407 PolarHBondContact OE1-NH1 2.73Å; E404-R407 WeakPolarHBondContact OE2-CD 3.48Å; E404-R407 IonicContact OE2-CZ 3.53Å; E404-R407 IonicContact OE2-NE 2.67Å; E404-R407 IonicContact OE2-NH1 3.64Å; E404-R407 PolarHBondContact OE2-NH1 3.31Å; E404-Q408 WeakPolarHBondContact O-CB 3.47Å; E404-Q408 WeakPolarHBondContact O-CG 3.48Å; E404-Q408 PolarHBondContact O-N 3.14Å
405E81.3Confident75.9Confident144 Ų144106 Ų10667%0.67350%0.501SS*.Hα-helixtrans-62-51.6168.4-174175.2-146.500110.6D401 R407 Q408 E409D401-E405 WeakPolarHBondContact O-CB 3.48Å; D401-E405 PolarHBondContact O-N 2.66Å; E405-R407 PolarHBondContact O-N 2.79Å; E405-Q408 PolarHBondContact O-N 2.82Å; E405-E409 PolarHBondContact O-N 3.09Å
406L77.3Confident75.6Confident108 Ų108106.6 Ų106.657%0.56550%0.504SS*.Hα-helixtrans-59.5-28.2173.2-77170.9000112.9E402 L410E402-L406 VanDerWaalsContact O-CB 3.25Å; E402-L406 WeakPolarHBondContact O-CB 3.38Å; E402-L406 WeakPolarHBondContact O-CD1 3.46Å; E402-L406 WeakPolarHBondContact O-CG 3.17Å; E402-L406 PolarHBondContact O-N 2.66Å; L406-L410 WeakPolarHBondContact O-CB 3.47Å; L406-L410 PolarHBondContact O-N 2.93Å
407R80.2Confident74.8Confident133 Ų133102.2 Ų102.250%0.50249%0.494SS..Hα-helixtrans-80.5-36.3178-178.7165.2166.6-103.5-14.1112.3M403 E404 E405 L410 D411M403-R407 WeakPolarHBondContact O-CB 3.36Å; M403-R407 PolarHBondContact O-N 2.93Å; E404-R407 CarbonylContact O-C 3.59Å; E404-R407 PolarHBondContact O-N 3.26Å; E404-R407 IonicContact OE1-CZ 3.99Å; E404-R407 IonicContact OE1-NH1 3.6Å; E404-R407 PolarHBondContact OE1-NH1 2.73Å; E404-R407 WeakPolarHBondContact OE2-CD 3.48Å; E404-R407 IonicContact OE2-CZ 3.53Å; E404-R407 IonicContact OE2-NE 2.67Å; E404-R407 IonicContact OE2-NH1 3.64Å; E404-R407 PolarHBondContact OE2-NH1 3.31Å; E405-R407 PolarHBondContact O-N 2.79Å; R407-L410 PolarHBondContact O-N 2.92Å; R407-D411 WeakPolarHBondContact O-CB 3.38Å; R407-D411 PolarHBondContact O-N 3.07Å
408Q79.8Confident73.6Confident131 Ų131104.4 Ų104.461%0.61250%0.502SS*.Hα-helixtrans-64.5-44.3168.6-72.6179.550.800110.5E404 E405 L410 D411 L412E404-Q408 WeakPolarHBondContact O-CB 3.47Å; E404-Q408 WeakPolarHBondContact O-CG 3.48Å; E404-Q408 PolarHBondContact O-N 3.14Å; E405-Q408 PolarHBondContact O-N 2.82Å; Q408-L410 PolarHBondContact O-N 3.4Å; Q408-D411 PolarHBondContact O-N 3.45Å; Q408-L412 VanDerWaalsContact O-CB 3.3Å; Q408-L412 WeakPolarHBondContact O-CB 3.2Å; Q408-L412 PolarHBondContact O-N 3.31Å
409E77.4Confident72.2Confident115 Ų115105.2 Ų105.254%0.53752%0.515SS..Hα-helixtrans-63.7-40.4174.3-163.5-175.4-139.100111.5E405 L412 L413E405-E409 PolarHBondContact O-N 3.09Å; E409-L412 PolarHBondContact O-N 3.09Å; E409-L413 HydrophobicContact CG-CD1 4.29Å; E409-L413 VanDerWaalsContact O-CB 3.28Å; E409-L413 WeakPolarHBondContact O-CB 3.46Å; E409-L413 VanDerWaalsContact O-CG 3.31Å; E409-L413 WeakPolarHBondContact O-CG 3.15Å; E409-L413 PolarHBondContact O-N 3.02Å
410L75.4Confident70.5Confident96 Ų96105.3 Ų105.350%0.50352%0.523SS..Hα-helixtrans-67.1-38.4175.9-169.975.5000112.8L406 R407 Q408 L413 R414L406-L410 WeakPolarHBondContact O-CB 3.47Å; L406-L410 PolarHBondContact O-N 2.93Å; R407-L410 PolarHBondContact O-N 2.92Å; Q408-L410 PolarHBondContact O-N 3.4Å; L410-L413 CarbonylContact O-C 3.58Å; L410-L413 PolarHBondContact O-N 2.92Å; L410-R414 WeakPolarHBondContact O-CB 3.47Å; L410-R414 WeakPolarHBondContact O-CG 2.96Å; L410-R414 PolarHBondContact O-N 3.26Å
411D76.3Confident68.6Low63 Ų63109.5 Ų109.534%0.33754%0.541SS..Hα-helixtrans-77-28.3176.1-85.2-23.2000112R407 Q408 R414 Q415R407-D411 WeakPolarHBondContact O-CB 3.38Å; R407-D411 PolarHBondContact O-N 3.07Å; Q408-D411 PolarHBondContact O-N 3.45Å; D411-R414 PolarHBondContact O-N 3.06Å; D411-R414 WeakPolarHBondContact OD1-CD 3.36Å; D411-R414 IonicContact OD1-NH1 2.77Å; D411-R414 PolarHBondContact OD1-NH1 2.66Å; D411-Q415 WeakPolarHBondContact O-CG 3.4Å; D411-Q415 PolarHBondContact O-N 3.37Å
412L74.7Confident66.5Low107 Ų107112.1 Ų112.156%0.5655%0.554SS**Hα-helixtrans-64.7-45.6166.3-159.581.5000110.8Q408 E409 R414 Q415 N416Q408-L412 VanDerWaalsContact O-CB 3.3Å; Q408-L412 WeakPolarHBondContact O-CB 3.2Å; Q408-L412 PolarHBondContact O-N 3.31Å; E409-L412 PolarHBondContact O-N 3.09Å; L412-R414 VanDerWaalsContact C-N 3.29Å; L412-R414 PolarHBondContact O-N 3.36Å; L412-Q415 PolarHBondContact O-N 2.95Å; L412-N416 WeakPolarHBondContact O-CB 3.21Å; L412-N416 PolarHBondContact O-N 3.41Å; L412-N416 PolarHBondContact O-ND2 3.1Å; L412-N416 VanDerWaalsContact O-ND2 3.17Å
413L67Low64.1Low100 Ų100112.3 Ų112.352%0.52457%0.566SS.*Hα-helixtrans-62.6-32.8172-79166.3000112E409 L410 A417E409-L413 HydrophobicContact CG-CD1 4.29Å; E409-L413 VanDerWaalsContact O-CB 3.28Å; E409-L413 WeakPolarHBondContact O-CB 3.46Å; E409-L413 VanDerWaalsContact O-CG 3.31Å; E409-L413 WeakPolarHBondContact O-CG 3.15Å; E409-L413 PolarHBondContact O-N 3.02Å; L410-L413 CarbonylContact O-C 3.58Å; L410-L413 PolarHBondContact O-N 2.92Å; L413-A417 WeakPolarHBondContact O-CB 3.24Å; L413-A417 PolarHBondContact O-N 2.73Å
414R68.6Low61.9Low141 Ų141115.1 Ų115.153%0.53258%0.577SS.*Hα-helixtrans-72.7-39172.5-82.1170.9151.1-171.6-1.9113L410 D411 L412 A417 Q418L410-R414 WeakPolarHBondContact O-CB 3.47Å; L410-R414 WeakPolarHBondContact O-CG 2.96Å; L410-R414 PolarHBondContact O-N 3.26Å; D411-R414 PolarHBondContact O-N 3.06Å; D411-R414 WeakPolarHBondContact OD1-CD 3.36Å; D411-R414 IonicContact OD1-NH1 2.77Å; D411-R414 PolarHBondContact OD1-NH1 2.66Å; L412-R414 VanDerWaalsContact C-N 3.29Å; L412-R414 PolarHBondContact O-N 3.36Å; R414-A417 PolarHBondContact O-N 3.05Å; R414-Q418 VanDerWaalsContact O-CB 3.28Å; R414-Q418 WeakPolarHBondContact O-CB 3.5Å; R414-Q418 WeakPolarHBondContact O-CG 3.19Å; R414-Q418 PolarHBondContact O-N 3.22Å
415Q64.2Low59.6Low127 Ų127118.5 Ų118.559%0.59360%0.598SS**Hα-helixtrans-62.6-47.2172.8-72.3-176.62500110D411 L412 A417 Q418 L419D411-Q415 WeakPolarHBondContact O-CG 3.4Å; D411-Q415 PolarHBondContact O-N 3.37Å; L412-Q415 PolarHBondContact O-N 2.95Å; Q415-A417 VanDerWaalsContact C-N 3.35Å; Q415-A417 PolarHBondContact O-N 2.92Å; Q415-Q418 PolarHBondContact O-N 3.11Å; Q415-L419 WeakPolarHBondContact O-CB 3.4Å; Q415-L419 WeakPolarHBondContact O-CG 3.11Å; Q415-L419 PolarHBondContact O-N 3.49Å
416N63Low57.3Low85 Ų85117.7 Ų117.746%0.45560%0.598SS.*Hα-helixtrans-62.7-37.1175.2-70.9-34.1000112.7L412 S420L412-N416 WeakPolarHBondContact O-CB 3.21Å; L412-N416 PolarHBondContact O-N 3.41Å; L412-N416 PolarHBondContact O-ND2 3.1Å; L412-N416 VanDerWaalsContact O-ND2 3.17Å; N416-S420 WeakPolarHBondContact O-CB 3.45Å; N416-S420 PolarHBondContact O-N 2.94Å; N416-S420 PolarHBondContact O-OG 3.11Å
417A52.2Low55.2Low37 Ų37118.3 Ų118.331%0.30660%0.602SS.*Hα-helixtrans-73.8-35.2175.600000113.3L413 R414 Q415 S420 Q421L413-A417 WeakPolarHBondContact O-CB 3.24Å; L413-A417 PolarHBondContact O-N 2.73Å; R414-A417 PolarHBondContact O-N 3.05Å; Q415-A417 VanDerWaalsContact C-N 3.35Å; Q415-A417 PolarHBondContact O-N 2.92Å; A417-S420 CarbonylContact O-C 3.59Å; A417-S420 PolarHBondContact O-N 3.21Å; A417-Q421 WeakPolarHBondContact O-CB 3.48Å; A417-Q421 VanDerWaalsContact O-CG 3.28Å; A417-Q421 WeakPolarHBondContact O-CG 3.09Å; A417-Q421 PolarHBondContact O-N 2.72Å
418Q48.5Very low52.9Low128 Ų128118.4 Ų118.460%0.59861%0.611SS**Hα-helixtrans-71-38.7175.5-74176.226.300111.2R414 Q415 S420 Q421R414-Q418 VanDerWaalsContact O-CB 3.28Å; R414-Q418 WeakPolarHBondContact O-CB 3.5Å; R414-Q418 WeakPolarHBondContact O-CG 3.19Å; R414-Q418 PolarHBondContact O-N 3.22Å; Q415-Q418 PolarHBondContact O-N 3.11Å; Q418-S420 PolarHBondContact O-N 2.81Å; Q418-Q421 PolarHBondContact O-N 3.18Å
419L49.5Very low50.7Low138 Ų138117.3 Ų117.372%0.72362%0.618SS**Hα-helixtrans-60-34.6166.8-73.3166.3000111.8Q415Q415-L419 WeakPolarHBondContact O-CB 3.4Å; Q415-L419 WeakPolarHBondContact O-CG 3.11Å; Q415-L419 PolarHBondContact O-N 3.49Å
420S43.3Very low48.6Very low93 Ų93120.6 Ų120.665%0.6563%0.63SS**Hα-helixtrans-79.6-17.9178.1-60.30000115.2N416 A417 Q418N416-S420 WeakPolarHBondContact O-CB 3.45Å; N416-S420 PolarHBondContact O-N 2.94Å; N416-S420 PolarHBondContact O-OG 3.11Å; A417-S420 CarbonylContact O-C 3.59Å; A417-S420 PolarHBondContact O-N 3.21Å; Q418-S420 PolarHBondContact O-N 2.81Å
421Q40.5Very low46.9Very low158 Ų158121.1 Ų121.174%0.73864%0.639SS**Hα-helixtrans-100.3-8.3-173-76.4-179.224.800115.2A417 Q418 S423A417-Q421 WeakPolarHBondContact O-CB 3.48Å; A417-Q421 VanDerWaalsContact O-CG 3.28Å; A417-Q421 WeakPolarHBondContact O-CG 3.09Å; A417-Q421 PolarHBondContact O-N 2.72Å; Q418-Q421 PolarHBondContact O-N 3.18Å; Q421-S423 PolarHBondContact O-N 2.83Å
422L37.8Very low44.8Very low162 Ų162123.6 Ų123.685%0.84866%0.657SS**SBendtrans-83.5-1.3-179.7-89.9163.2000115.3
423S31.3Very low43Very low98 Ų98124.9 Ų124.969%0.68566%0.663SS**  trans-115.549.5-171.7-1740000114.7Q421Q421-S423 PolarHBondContact O-N 2.83Å
424H30.1Very low41.6Very low171 Ų171127 Ų12779%0.79268%0.675SS**  trans-141.594.2170.8-9862.1000112.5
425N32.6Very low40.1Very low154 Ų154126.8 Ų126.882%0.82468%0.684SS**  trans178.4143.1136.9-98.1-54.4000114.3
426N33Very low38.8Very low126 Ų126130.7 Ų130.767%0.67469%0.693SS**  trans79.585.1156.5-62-40.5000123.2
427N34.2Very low37.4Very low121 Ų121132.7 Ų132.765%0.64770%0.702SS**  89.983.2112.3-57.2-22.3000124
428I31.8Very low36.4Very low136 Ų136137.6 Ų137.670%0.69772%0.718SS**  64.9105.8108-62.5157.9000120.3
429S33.5Very low35.5Very low107 Ų107138 Ų13875%0.74872%0.723SS**  170.3117.8115.4-72.40000111.2
430K33.7Very low34.7Very low184 Ų184137.7 Ų137.780%0.873%0.727SS**  77.8151.658.1-82.5-172.6175.2177.80115.1
431P38.5Very low34.1Very low107 Ų107137.5 Ų137.570%0.69573%0.726SS**  cis-146.7-170.3-529.6-3.2000117.8
432V33.3Very low33.9Very low116 Ų116136 Ų13670%0.70372%0.723SS**  trans78.8121.7157.7-165.10000117.5
433I36.3Very low33.7Very low134 Ų134135.4 Ų135.469%0.68772%0.721SS**  cis96.2112.717.7-55.2163.5000116.4
434N38.2Very low34.1Very low144 Ų144136.6 Ų136.677%0.7773%0.726SS**  trans-171.9108.9130.3-106.7-44.5000117
435N36.3Very low34.4Very low136 Ų136130.2 Ų130.273%0.72771%0.706SS**  19.9145.2130-54.3-65.8000122.3
436R36.8Very low34.5Very low209 Ų209130.4 Ų130.479%0.78971%0.706SS**  177125111177.5169.8-114.7-164-3.5116.4
437M33Very low34.8Very low128 Ų128129.3 Ų129.363%0.63170%0.704SS**  trans66.1153.9155.6-69.3166.316800118.8
438H32.8Very low35Very low140 Ų140127 Ų12765%0.64870%0.695SS**  cis-157.2127.7-14.3-113.5-26.1000112.7
439L29.1Very low35.4Very low137 Ų137128 Ų12872%0.71770%0.697SS**  64.3149.1126.5-77.6176.4000125.2
440T32.1Very low36Very low131 Ų131129 Ų12980%0.80469%0.693SS**  trans71.2134.9163.254.30000119.8
441S31.9Very low36.7Very low88 Ų88125.1 Ų125.162%0.61568%0.68SS**  cis-157.8162.1-24.574.10000112.2
442D35.3Very low37Very low128 Ų128125.7 Ų125.768%0.68467%0.674SS**  trans53.1112.9156.4-42.8-44.9000119.5
443N33.8Very low37.4Very low149 Ų149126.6 Ų126.680%0.79767%0.674SS**  62.6145.157.3-63.3-49.8000115.2
444P40.7Very low37.6Very low123 Ų123128 Ų12880%0.79968%0.675SS**  cis-124.6-169-22.939-22.5000111.5
445G34.4Very low37.8Very low36 Ų36126.5 Ų126.537%0.37167%0.667SS.*  trans-171.8-19.7175.200000119.3T447 T448G445-T447 PolarHBondContact O-N 2.87Å; G445-T448 PolarHBondContact O-N 3.35Å; G445-T448 PolarHBondContact O-OG1 2.83Å
446L35.1Very low38Very low159 Ų159127.3 Ų127.383%0.83267%0.666SS**THydrogen-bonded Turntrans-71.926.7-174.9-120.2167.7000115
447T39.8Very low37.9Very low102 Ų102124.7 Ų124.763%0.62667%0.667SS**THydrogen-bonded Turntrans-140.62.2-176.6500000114.2G445G445-T447 PolarHBondContact O-N 2.87Å
448T38.7Very low37.7Very low74 Ų74124.3 Ų124.345%0.45467%0.672SS.*THydrogen-bonded Turntrans-100.1-47.8169.842.80000112.3G445 L450 L451 E452G445-T448 PolarHBondContact O-N 3.35Å; G445-T448 PolarHBondContact O-OG1 2.83Å; T448-L450 PolarHBondContact O-N 3.5Å; T448-L450 VanDerWaalsContact O-N 3.14Å; T448-L451 CarbonylContact O-C 3.6Å; T448-L451 WeakPolarHBondContact O-CA 3.31Å; T448-L451 WeakPolarHBondContact O-CB 3.28Å; T448-L451 PolarHBondContact O-N 3.48Å; T448-E452 PolarHBondContact O-N 3.2Å
449Q40Very low37.6Very low156 Ų156122.3 Ų122.373%0.72967%0.674SS**Hα-helixtrans-64.9-21.7-178.3-69.9174.4-25.300114
450L47.1Very low37.6Very low128 Ų128123 Ų12367%0.6768%0.676SS**Hα-helixtrans-913.3171.8-104.1165.5000114.2T448T448-L450 PolarHBondContact O-N 3.5Å; T448-L450 VanDerWaalsContact O-N 3.14Å
451L46.5Very low37.5Very low103 Ų103121.1 Ų121.154%0.53967%0.669SS.*Hα-helixtrans-108.6-44167.4-10867.8000111T448 K454 D455T448-L451 CarbonylContact O-C 3.6Å; T448-L451 WeakPolarHBondContact O-CA 3.31Å; T448-L451 WeakPolarHBondContact O-CB 3.28Å; T448-L451 PolarHBondContact O-N 3.48Å; L451-K454 CarbonylContact O-C 3.54Å; L451-K454 WeakPolarHBondContact O-CA 3.34Å; L451-K454 VanDerWaalsContact O-CB 3.32Å; L451-K454 WeakPolarHBondContact O-CB 3.47Å; L451-K454 PolarHBondContact O-N 3.46Å; L451-D455 PolarHBondContact O-N 3.49Å
452E45.5Very low37.3Very low119 Ų119124.5 Ų124.556%0.55668%0.68SS**Hα-helixtrans-63.6-47.9-174.7-71.8170.7126.900112.1T448 K454 D455 E456T448-E452 PolarHBondContact O-N 3.2Å; E452-K454 PolarHBondContact O-N 3.19Å; E452-K454 VanDerWaalsContact O-N 3.16Å; E452-D455 PolarHBondContact O-N 3.22Å; E452-E456 PolarHBondContact O-N 3.21Å
453L41.7Very low37.3Very low135 Ų135122.3 Ų122.371%0.70767%0.666SS**Hα-helixtrans-72.2-3171.7-95.6167.4000114.3E456L453-E456 VanDerWaalsContact CD2-OE2 3.32Å; L453-E456 WeakPolarHBondContact CD2-OE2 3.47Å
454K41.1Very low37.2Very low162 Ų162120.7 Ų120.770%0.70466%0.663SS**Hα-helixtrans-97.9-20.5173.2-167.7166.8179.9170.30112.4L451 E452L451-K454 CarbonylContact O-C 3.54Å; L451-K454 WeakPolarHBondContact O-CA 3.34Å; L451-K454 VanDerWaalsContact O-CB 3.32Å; L451-K454 WeakPolarHBondContact O-CB 3.47Å; L451-K454 PolarHBondContact O-N 3.46Å; E452-K454 PolarHBondContact O-N 3.19Å; E452-K454 VanDerWaalsContact O-N 3.16Å
455D42.1Very low36.7Very low114 Ų114117 Ų11761%0.6164%0.641SS**Hα-helixtrans-95.1-27.1172.3-71.1-30.6000112.4L451 E452 L457 V458L451-D455 PolarHBondContact O-N 3.49Å; E452-D455 PolarHBondContact O-N 3.22Å; D455-L457 PolarHBondContact O-N 3.35Å; D455-V458 PolarHBondContact O-N 2.79Å; D455-V458 VanDerWaalsContact O-N 3.07Å
456E40.3Very low36.5Very low152 Ų152119.9 Ų119.971%0.7166%0.655SS**THydrogen-bonded Turntrans-59.9-16.8178.6-87.4-169.6131.200115E452 L453E452-E456 PolarHBondContact O-N 3.21Å; L453-E456 VanDerWaalsContact CD2-OE2 3.32Å; L453-E456 WeakPolarHBondContact CD2-OE2 3.47Å
457L34Very low36.3Very low155 Ų155121.3 Ų121.381%0.81266%0.657SS**THydrogen-bonded Turntrans-81.7-13176.5-112.7168.1000114.2D455D455-L457 PolarHBondContact O-N 3.35Å
458V30.6Very low35.7Very low119 Ų119123.2 Ų123.272%0.72166%0.657SS**SBendtrans-150.382.5179.1-1670000113.6D455D455-V458 PolarHBondContact O-N 2.79Å; D455-V458 VanDerWaalsContact O-N 3.07Å
459S30.8Very low35.5Very low99 Ų99124.6 Ų124.669%0.69267%0.667SS**  trans179.3117.6135.2-84.80000117.7
460I29.3Very low35Very low150 Ų150120.9 Ų120.977%0.76966%0.658SS**  59.997.4129.2-52.6164.9000119.5
461S28.3Very low34.1Very low92 Ų92117.5 Ų117.564%0.64365%0.645SS**  36.8119.8118.9-1590000120.6
462N29.4Very low33.3Very low159 Ų159115.3 Ų115.385%0.8563%0.634SS**  173.7162.1112.9-84.4-19.8000113.6
463E34.4Very low32.9Very low83 Ų83112.8 Ų112.839%0.38862%0.624SS.*  trans-141.2157.4-171.4-171.6-148.6-127.200109.5V2536 S2538E463-V2536 VanDerWaalsContact CD-CB 3.42Å; E463-V2536 WeakPolarHBondContact OE1-CB 3.45Å; E463-V2536 WeakPolarHBondContact OE1-CG1 3.32Å; E463-V2536 WeakPolarHBondContact OE2-CB 3.25Å; E463-V2536 WeakPolarHBondContact OE2-CG1 3.48Å; E463-V2536 VanDerWaalsContact OE2-CG2 3.25Å; E463-V2536 WeakPolarHBondContact OE2-CG2 3.35Å; E463-S2538 PolarHBondContact OE1-N 3.47Å
464P32.2Very low32.6Very low114 Ų114112.1 Ų112.174%0.7463%0.628SS**  -157.9119.6123.534.8-13.4000119.3
465S29.8Very low32.1Very low47 Ų47108.6 Ų108.633%0.32963%0.628SS.*  47.4136.312775.30000126.7
466S29.5Very low31.7Very low96 Ų96111.1 Ų111.167%0.67164%0.641SS**  trans86.1148140.881.90000119.5
467Q30.6Very low31.5Very low188 Ų188109.1 Ų109.188%0.87964%0.641SS**  cis-143.4174.833.9-64.5-176.11.300117.2
468K28.5Very low31.4Very low143 Ų143107.8 Ų107.862%0.62264%0.642SS**  trans-86.3-177179.7-111.4-167.3173.8-168.40112E2531K468-E2531 IonicContact NZ-OE1 3.96Å; K468-E2531 PolarHBondContact NZ-OE1 3.09Å
469P33.4Very low31.3Very low103 Ų103106 Ų10667%0.66965%0.647SS**  cis-147.8-176-26.141.1-21000117.9
470S30.1Very low31.2Very low77 Ų77106.4 Ų106.454%0.53865%0.65SS.*  trans7591.3138.2-710000126.2
471S28Very low31.2Very low57 Ų57104.1 Ų104.140%0.39964%0.644SS.*  61.3138.6106.458.70000125.4S1411S471-S1411 WeakPolarHBondContact CB-OG 3.37Å; S471-S1411 PolarHBondContact OG-OG 3.26Å
472L30.6Very low31.2Very low58 Ų58108.1 Ų108.130%0.30464%0.644SS.*  169.3174.9110.9-96.7133000127.2Q1407 L1408 D1410 S1411L472-Q1407 HydrophobicContact CB-CB 3.72Å; L472-Q1407 HydrophobicContact CB-CG 4.13Å; L472-Q1407 HydrophobicContact CD1-CB 3.7Å; L472-Q1407 WeakPolarHBondContact CD1-O 3.46Å; L472-Q1407 VanDerWaalsContact CD2-C 3.48Å; L472-Q1407 HydrophobicContact CD2-CB 3.7Å; L472-Q1407 HydrophobicContact CD2-CG 4.24Å; L472-Q1407 WeakPolarHBondContact CD2-O 3.16Å; L472-Q1407 HydrophobicContact CG-CB 3.79Å; L472-Q1407 WeakPolarHBondContact CG-O 3.46Å; L472-L1408 HydrophobicContact CD1-CB 4.38Å; L472-L1408 HydrophobicContact CD1-CD1 4.06Å; L472-L1408 HydrophobicContact CD1-CG 4.49Å; L472-D1410 HydrophobicContact CD2-CB 4.2Å; L472-S1411 WeakPolarHBondContact CD1-OG 3.3Å
473L37.4Very low31.1Very low65 Ų65107.1 Ų107.134%0.3464%0.638SS.*  trans-118168.8-151-62.8161.8000116Q1407 L1414L473-Q1407 PolarHBondContact O-NE2 3.08Å; L473-L1414 HydrophobicContact CD1-CB 4.2Å; L473-L1414 HydrophobicContact CD1-CD2 3.61Å; L473-L1414 HydrophobicContact CD2-CD2 4Å; L473-L1414 HydrophobicContact CG-CD2 4.4Å
474P34.9Very low30.7Very low122 Ų122110 Ų11079%0.79265%0.646SS**  -129.2-159.489.737.1-23000112.6
475A30.7Very low30.4Very low87 Ų87109.3 Ų109.372%0.71964%0.637SS**  cis-156.8-153.113.600000114
476L32.8Very low30.2Very low168 Ų168112.4 Ų112.488%0.8864%0.641SS**  trans-152.8178.6-172-91.9107.3000111.5
477P35.6Very low30.1Very low110 Ų110111.1 Ų111.171%0.71463%0.632SS**  cis-132.4-156.7-6.933.4-9.8000113
478P32.9Very low29.8Very low127 Ų127109.9 Ų109.983%0.82563%0.631SS**  -125.7161.2-62.337-22.1000114.3
479G28.6Very low29.8Very low80 Ų80108.9 Ų108.983%0.82563%0.632SS**  trans172.2135.7167.300000115.7T481G479-T481 PolarHBondContact O-N 2.77Å
480S27.6Very low29.6Very low108 Ų108109.4 Ų109.476%0.75562%0.624SS**  trans-53.3120.3-174-1780000116.7
481T29.3Very low29.4Very low103 Ų103111 Ų11163%0.63264%0.635SS**  17.8121.5118.937.60000118.8G479G479-T481 PolarHBondContact O-N 2.77Å
482R29.7Very low29.6Very low176 Ų176115.9 Ų115.966%0.66466%0.657SS**  81.9121.678.9-77.5-174.4178.8156.26112.5E1421R482-E1421 IonicContact CZ-OE1 3.37Å; R482-E1421 IonicContact NH1-OE1 2.62Å; R482-E1421 PolarHBondContact NH1-OE1 2.68Å; R482-E1421 VanDerWaalsContact NH2-CD 3.32Å; R482-E1421 IonicContact NH2-OE1 3.21Å; R482-E1421 PolarHBondContact NH2-OE1 3.37Å; R482-E1421 IonicContact NH2-OE2 2.65Å
483L27.1Very low29.4Very low138 Ų138120.5 Ų120.572%0.72368%0.681SS**  75.1127.559.3-85173.2000114.9
484Y26.4Very low29Very low142 Ų142125.6 Ų125.656%0.55770%0.703SS**  trans67.4108.4170.6-60.5-65.2000118.3Y1428Y484-Y1428 HydrophobicContact CD1-CE1 4.42Å; Y484-Y1428 AromaticContact CD1-CE2 3.8Å; Y484-Y1428 HydrophobicContact CD1-CE2 3.8Å; Y484-Y1428 AromaticContact CD1-CZ 3.62Å; Y484-Y1428 WeakPolarHBondContact CD1-OH 3.1Å; Y484-Y1428 HydrophobicContact CE1-CE1 4.04Å; Y484-Y1428 HydrophobicContact CE1-CE2 4.23Å; Y484-Y1428 AromaticContact CE1-CZ 3.56Å; Y484-Y1428 WeakPolarHBondContact CE1-OH 3.46Å; Y484-Y1428 HydrophobicContact CG-CE2 4.18Å
485D25.7Very low28.7Very low101 Ų101126.8 Ų126.854%0.5470%0.702SS.*  38.3114.897.5179.930.7000116.2
486W24.7Very low28.4Very low112 Ų112129.9 Ų129.942%0.42470%0.702SS.*  trans-169.3176.9134.1-116.8-19.1000115.8K1427 Y1428 E1431W486-K1427 HydrophobicContact CH2-CB 3.87Å; W486-K1427 HydrophobicContact CH2-CD 3.48Å; W486-K1427 VanDerWaalsContact CH2-CD 3.48Å; W486-K1427 HydrophobicContact CH2-CG 3.46Å; W486-K1427 VanDerWaalsContact CH2-CG 3.46Å; W486-K1427 HydrophobicContact CZ2-CD 4.19Å; W486-K1427 HydrophobicContact CZ2-CG 3.92Å; W486-K1427 HydrophobicContact CZ3-CD 3.77Å; W486-K1427 HydrophobicContact CZ3-CG 4.27Å; W486-K1427 VanDerWaalsContact CZ3-NZ 3.33Å; W486-Y1428 HydrophobicContact CH2-CD2 4.32Å; W486-Y1428 AromaticContact CZ2-CD2 3.95Å; W486-Y1428 HydrophobicContact CZ2-CD2 3.95Å; W486-E1431 HydrophobicContact CZ2-CB 4Å
487S27.4Very low28.2Very low69 Ų69127.6 Ų127.648%0.48369%0.69SS.*  trans-78.7153.7163.1650000113.2
488L24.9Very low27.8Very low162 Ų162130 Ų13085%0.84869%0.692SS**  trans171.793.3149-96.9164.3000107
489N27.5Very low27.5Very low122 Ų122130.7 Ų130.765%0.65269%0.686SS**  53.3107.564.4-157.37.9000113.7
490K30.1Very low27.6Very low114 Ų114132.3 Ų132.350%0.49669%0.685SS.*  trans28.1114.7157-67.7178.9176.8-175.10119.2
491S26.2Very low27.7Very low110 Ų110131.1 Ų131.177%0.76968%0.681SS**  trans62.5121.4130.2-51.20000119
492D30.7Very low28Very low159 Ų159132.1 Ų132.185%0.8568%0.683SS**  -151.8151.6102.4-123.6-23000114.6
493L27.5Very low28.2Very low156 Ų156132.5 Ų132.582%0.81769%0.689SS**  trans-97.8109.5174.6-85.9157.8000109.7
494Q29Very low28.4Very low172 Ų172130.8 Ų130.880%0.80469%0.688SS**  trans-163113.2149.8-114.9143.49600115.6
495L27.6Very low28.8Very low147 Ų147128.9 Ų128.977%0.7770%0.696SS**  53.9140124.2-107.269.3000123.1
496E25.5Very low29.4Very low152 Ų152131.8 Ų131.871%0.7171%0.712SS**  trans86.397.7146-66.9-16217300121.9
497N27.7Very low29.8Very low119 Ų119131.2 Ų131.264%0.63673%0.725SS**  97128.7107.8-70.9-15.9000121.4
498E27.3Very low30.1Very low161 Ų161136 Ų13675%0.75274%0.74SS**  trans72.6144.1146-67.2-17815200118.3
499M27.7Very low30.5Very low142 Ų142134.7 Ų134.770%0.774%0.738SS**  cis-154.6149.15.1-139.4-176.9-109.100113.7
500S29.6Very low30.7Very low114 Ų114133.6 Ų133.680%0.79774%0.74SS**  trans71.3149.6150.677.80000120.6
501A31Very low30.8Very low82 Ų82133.5 Ų133.568%0.67875%0.749SS**  cis-168.1146.4-24.200000112.8
502N35.7Very low31.1Very low125 Ų125134.1 Ų134.167%0.66874%0.744SS**  trans138.199.7149.6-73.9-53.6000110.7
503K33.2Very low31.2Very low184 Ų184134.7 Ų134.780%0.874%0.739SS**  69.4133.599-67.7165.6-167.1147.60113.7
504S32.3Very low31.4Very low101 Ų101135.4 Ų135.471%0.70674%0.743SS**  cis-168.6123.31.738.10000106.6
505S33.4Very low31.7Very low103 Ų103133.1 Ų133.172%0.7274%0.741SS**  80.4105.363.7750000115.1
506D37.9Very low32.1Very low162 Ų162131.4 Ų131.487%0.86674%0.738SS**  trans-170.397.8156.2-85.6-29.4000104.8
507S33.8Very low32.3Very low100 Ų100130.2 Ų130.270%0.69974%0.741SS**  cis71.3108.642.4840000115.8
508E34.3Very low32.6Very low170 Ų170129.9 Ų129.979%0.79475%0.746SS**  178.1127114.8-99.1-170.6175.100115.3
509T32.7Very low32.6Very low133 Ų133130.2 Ų130.282%0.81675%0.751SS**  trans65.8158.8147.769.70000120.1
510S31.4Very low32.6Very low99 Ų99128.5 Ų128.569%0.69275%0.753SS**  cis-148128.7-3.21540000112.3
511T32Very low32.5Very low112 Ų112130.7 Ų130.769%0.68776%0.755SS**  trans-9.1129.3146.245.10000120.8
512D33.6Very low32.6Very low123 Ų123131.3 Ų131.366%0.65875%0.754SS**  177.8127.399.5-99.1-24.2000109.6
513K32.7Very low32.6Very low171 Ų171131 Ų13174%0.74376%0.759SS**  70.298.180.3-72.3-169.7-161.4127.50117
514L31.7Very low32.8Very low171 Ų171125.6 Ų125.690%0.89574%0.744SS**  172.1123.4107.4-91.7164.1000113.3
515T34.2Very low33.2Very low124 Ų124127.3 Ų127.376%0.76175%0.745SS**  trans-72.7166.8156.229.70000110.8
516P36.6Very low33.8Very low111 Ų111125.7 Ų125.772%0.72173%0.726SS**  cis-156.4157.541.745.9-24.3000121.2
517V30.2Very low34.1Very low128 Ų128121.9 Ų121.978%0.77671%0.711SS**  48.9141.9121.7-175.30000120.3
518P33.9Very low35Very low112 Ų112121.7 Ų121.773%0.72771%0.705SS**  cis-143.3137.5-36.538.7-18.7000115
519I26.4Very low36.1Very low167 Ų167117 Ų11786%0.85668%0.683SS**  trans-136.9136.5164.4-61.6-176.3000111.4
520S27.9Very low37.4Very low106 Ų106112.8 Ų112.874%0.74166%0.656SS**  trans-67.1141.4178.552.10000114.1
521L28.2Very low38.5Very low160 Ų160114 Ų11484%0.83865%0.65SS**  trans-164.3149.7161.4-110.6154000113
522S33.6Very low39.9Very low95 Ų95111.1 Ų111.166%0.66464%0.637SS**  trans57.3136.5165.748.20000119.7
523P35.2Very low41.5Very low118 Ų118110.9 Ų110.977%0.76663%0.631SS**  trans-54.9139.1154.9-17.231.1000109D525P523-D525 PolarHBondContact O-N 2.81Å
524C36Very low43Very low72 Ų72106 Ų10649%0.48661%0.612SS.*  trans-73.3126.4-175.1-162.10000110.4H526 C527C524-H526 PolarHBondContact O-N 3.43Å; C524-H526 VanDerWaalsContact O-N 3.15Å; C524-H526 VanDerWaalsContact SG-CB 3.55Å; C524-C527 HydrophobicContact CB-CB 4.49Å; C524-C527 WeakPolarHBondContact O-CB 3.42Å; C524-C527 PolarHBondContact O-N 2.8Å
525D41.5Very low44.6Very low137 Ų137102.9 Ų102.973%0.73359%0.594SS**Hα-helixtrans-54.4-32.9170.7-61.2-50.4000110.8P523 C527 V528 E529P523-D525 PolarHBondContact O-N 2.81Å; D525-C527 PolarHBondContact O-N 2.86Å; D525-V528 CarbonylContact O-C 3.39Å; D525-V528 PolarHBondContact O-N 2.78Å; D525-E529 VanDerWaalsContact O-CB 3.31Å; D525-E529 WeakPolarHBondContact O-CB 3.48Å; D525-E529 PolarHBondContact O-N 3.44Å
526H46.8Very low46Very low69 Ų6999.1 Ų99.132%0.31958%0.576SS.*Hα-helixtrans-63-25.3174.9-162.754.1000113.4C524 E529 L530C524-H526 PolarHBondContact O-N 3.43Å; C524-H526 VanDerWaalsContact O-N 3.15Å; C524-H526 VanDerWaalsContact SG-CB 3.55Å; H526-E529 IonicContact CE1-OE2 3.13Å; H526-E529 IonicContact CG-OE2 2.77Å; H526-E529 IonicContact ND1-OE2 2.67Å; H526-E529 PolarHBondContact ND1-OE2 2.75Å; H526-L530 WeakPolarHBondContact O-CA 3.4Å; H526-L530 WeakPolarHBondContact O-CB 3.23Å; H526-L530 PolarHBondContact O-N 2.78Å
527C42.7Very low47.1Very low82 Ų82101.5 Ų101.555%0.55457%0.572SS**Hα-helixtrans-75-34.9172.1-66.40000111.8C524 D525 Q531C524-C527 HydrophobicContact CB-CB 4.49Å; C524-C527 WeakPolarHBondContact O-CB 3.42Å; C524-C527 PolarHBondContact O-N 2.8Å; D525-C527 PolarHBondContact O-N 2.86Å; C527-Q531 WeakPolarHBondContact O-CB 3.31Å; C527-Q531 PolarHBondContact O-N 3.13Å
528V53.5Low48.7Very low95 Ų95101.2 Ų101.258%0.57656%0.561SS**Hα-helixtrans-74.5-40.8174.8-177.50000110.3D525 Q531 A532D525-V528 CarbonylContact O-C 3.39Å; D525-V528 PolarHBondContact O-N 2.78Å; V528-Q531 PolarHBondContact O-N 3.27Å; V528-A532 WeakPolarHBondContact O-CB 3.43Å; V528-A532 PolarHBondContact O-N 2.86Å
529E57.8Low49.8Very low72 Ų7297.1 Ų97.134%0.33654%0.537SS..Hα-helixtrans-61.2-42.6171.8-168.5-159167.900111.2D525 H526 K533D525-E529 VanDerWaalsContact O-CB 3.31Å; D525-E529 WeakPolarHBondContact O-CB 3.48Å; D525-E529 PolarHBondContact O-N 3.44Å; H526-E529 IonicContact CE1-OE2 3.13Å; H526-E529 IonicContact CG-OE2 2.77Å; H526-E529 IonicContact ND1-OE2 2.67Å; H526-E529 PolarHBondContact ND1-OE2 2.75Å; E529-K533 HydrophobicContact CG-CD 4.26Å; E529-K533 VanDerWaalsContact O-CB 3.28Å; E529-K533 WeakPolarHBondContact O-CB 3.49Å; E529-K533 VanDerWaalsContact O-CG 3.26Å; E529-K533 WeakPolarHBondContact O-CG 3.41Å; E529-K533 PolarHBondContact O-N 3.42Å; E529-K533 IonicContact OE1-NZ 2.87Å; E529-K533 PolarHBondContact OE1-NZ 2.85Å
530L58.7Low51.6Low45 Ų4592.6 Ų92.624%0.23651%0.514CS..Hα-helixtrans-71.7-39.1176.6-17270000111.7H526 K533 I534 L1834H526-L530 WeakPolarHBondContact O-CA 3.4Å; H526-L530 WeakPolarHBondContact O-CB 3.23Å; H526-L530 PolarHBondContact O-N 2.78Å; L530-K533 CarbonylContact O-C 3.53Å; L530-K533 PolarHBondContact O-N 3.23Å; L530-I534 HydrophobicContact CD2-CD1 4.38Å; L530-I534 HydrophobicContact CG-CD1 3.92Å; L530-I534 HydrophobicContact CG-CG1 4.41Å; L530-I534 WeakPolarHBondContact O-CB 3.14Å; L530-I534 VanDerWaalsContact O-CG1 3.25Å; L530-I534 WeakPolarHBondContact O-CG1 3.34Å; L530-I534 PolarHBondContact O-N 3.45Å; L530-L1834 HydrophobicContact CD1-CD1 3.66Å; L530-L1834 HydrophobicContact CD1-CD2 3.63Å; L530-L1834 HydrophobicContact CD1-CG 4.31Å; L530-L1834 HydrophobicContact CD2-CD1 4.26Å
531Q55.9Low53.4Low125 Ų12590.2 Ų90.258%0.58449%0.491SS*.Hα-helixtrans-66.9-37.8174.4-170.9171.87.300111.3C527 V528 I534 M535C527-Q531 WeakPolarHBondContact O-CB 3.31Å; C527-Q531 PolarHBondContact O-N 3.13Å; V528-Q531 PolarHBondContact O-N 3.27Å; Q531-I534 PolarHBondContact O-N 3.2Å; Q531-M535 HydrophobicContact CG-CE 4.26Å; Q531-M535 WeakPolarHBondContact O-CB 3.41Å; Q531-M535 VanDerWaalsContact O-CG 3.28Å; Q531-M535 WeakPolarHBondContact O-CG 3.37Å; Q531-M535 PolarHBondContact O-N 2.91Å
532A61.3Low55Low50 Ų5084.3 Ų84.341%0.41347%0.466SS..Hα-helixtrans-66.3-38.4171.700000111.9V528 A536V528-A532 WeakPolarHBondContact O-CB 3.43Å; V528-A532 PolarHBondContact O-N 2.86Å; A532-A536 WeakPolarHBondContact O-CB 2.88Å; A532-A536 PolarHBondContact O-N 3.2Å
533K67.3Low55.9Low119 Ų11980.8 Ų80.852%0.51744%0.442SS..Hα-helixtrans-71.3-35.7174.8-78.9171.9174.4174.80113E529 L530 A536 Y537E529-K533 HydrophobicContact CG-CD 4.26Å; E529-K533 VanDerWaalsContact O-CB 3.28Å; E529-K533 WeakPolarHBondContact O-CB 3.49Å; E529-K533 VanDerWaalsContact O-CG 3.26Å; E529-K533 WeakPolarHBondContact O-CG 3.41Å; E529-K533 PolarHBondContact O-N 3.42Å; E529-K533 IonicContact OE1-NZ 2.87Å; E529-K533 PolarHBondContact OE1-NZ 2.85Å; L530-K533 CarbonylContact O-C 3.53Å; L530-K533 PolarHBondContact O-N 3.23Å; K533-A536 PolarHBondContact O-N 2.81Å; K533-Y537 WeakPolarHBondContact O-CB 3.34Å; K533-Y537 PolarHBondContact O-N 2.95Å
534I64.4Low57.1Low69 Ų6980.4 Ų80.435%0.35443%0.43SS..Hα-helixtrans-67.1-51.2172.5-72.2166.3000109.3L530 Q531 A536 Y537 E538L530-I534 HydrophobicContact CD2-CD1 4.38Å; L530-I534 HydrophobicContact CG-CD1 3.92Å; L530-I534 HydrophobicContact CG-CG1 4.41Å; L530-I534 WeakPolarHBondContact O-CB 3.14Å; L530-I534 VanDerWaalsContact O-CG1 3.25Å; L530-I534 WeakPolarHBondContact O-CG1 3.34Å; L530-I534 PolarHBondContact O-N 3.45Å; Q531-I534 PolarHBondContact O-N 3.2Å; I534-A536 PolarHBondContact O-N 3.11Å; I534-Y537 CarbonylContact O-C 3.57Å; I534-Y537 PolarHBondContact O-N 3.34Å; I534-E538 HydrophobicContact CG2-CG 4.23Å; I534-E538 WeakPolarHBondContact O-CB 2.82Å; I534-E538 WeakPolarHBondContact O-CG 3.38Å; I534-E538 PolarHBondContact O-N 2.97Å
535M64Low58.3Low104 Ų10480.6 Ų80.651%0.51242%0.424SS..Hα-helixtrans-60-34.7174.8-71.1-175-54.300112Q531 A539Q531-M535 HydrophobicContact CG-CE 4.26Å; Q531-M535 WeakPolarHBondContact O-CB 3.41Å; Q531-M535 VanDerWaalsContact O-CG 3.28Å; Q531-M535 WeakPolarHBondContact O-CG 3.37Å; Q531-M535 PolarHBondContact O-N 2.91Å; M535-A539 WeakPolarHBondContact O-CA 3.16Å; M535-A539 WeakPolarHBondContact O-CB 3.16Å; M535-A539 PolarHBondContact O-N 3.47Å
536A63.6Low59.1Low46 Ų4676.3 Ų76.338%0.3840%0.401SS..Hα-helixtrans-70.1-34.6173.200000112.6A532 K533 I534 I540A532-A536 WeakPolarHBondContact O-CB 2.88Å; A532-A536 PolarHBondContact O-N 3.2Å; K533-A536 PolarHBondContact O-N 2.81Å; I534-A536 PolarHBondContact O-N 3.11Å; A536-I540 WeakPolarHBondContact O-CB 3.5Å; A536-I540 WeakPolarHBondContact O-CD1 3.06Å; A536-I540 WeakPolarHBondContact O-CG1 3.41Å; A536-I540 PolarHBondContact O-N 3.39Å
537Y61.5Low59.6Low161 Ų16178.5 Ų78.563%0.63141%0.41SS*.Hα-helixtrans-74.7-42.7176.6-141.8-91.3000111.6K533 I534 A539 I540 H541K533-Y537 WeakPolarHBondContact O-CB 3.34Å; K533-Y537 PolarHBondContact O-N 2.95Å; I534-Y537 CarbonylContact O-C 3.57Å; I534-Y537 PolarHBondContact O-N 3.34Å; Y537-A539 VanDerWaalsContact C-N 3.29Å; Y537-A539 PolarHBondContact O-N 2.97Å; Y537-I540 PolarHBondContact O-N 3.37Å; Y537-H541 VanDerWaalsContact O-CB 3.24Å; Y537-H541 WeakPolarHBondContact O-CB 3.46Å; Y537-H541 PolarHBondContact O-N 2.87Å
538E62.7Low60.1Low121 Ų12178.8 Ų78.857%0.56541%0.405SS*.Hα-helixtrans-60.7-39.4169.7-69.8171161.900110.6I534 A542I534-E538 HydrophobicContact CG2-CG 4.23Å; I534-E538 WeakPolarHBondContact O-CB 2.82Å; I534-E538 WeakPolarHBondContact O-CG 3.38Å; I534-E538 PolarHBondContact O-N 2.97Å; E538-A542 WeakPolarHBondContact O-CB 3.25Å; E538-A542 PolarHBondContact O-N 3.21Å
539A57.6Low60Low26 Ų2677.9 Ų77.922%0.21540%0.4CS..Hα-helixtrans-68.4-44.8174.900000112.3R111 M535 Y537 A543R111-A539 VanDerWaalsContact NH1-C 3.3Å; R111-A539 PolarHBondContact NH1-O 2.95Å; R111-A539 PolarHBondContact NH2-O 3.5Å; M535-A539 WeakPolarHBondContact O-CA 3.16Å; M535-A539 WeakPolarHBondContact O-CB 3.16Å; M535-A539 PolarHBondContact O-N 3.47Å; Y537-A539 VanDerWaalsContact C-N 3.29Å; Y537-A539 PolarHBondContact O-N 2.97Å; A539-A543 WeakPolarHBondContact O-CB 3.15Å; A539-A543 PolarHBondContact O-N 3Å
540I64.6Low59.9Low73 Ų7379.4 Ų79.437%0.37441%0.407SS..Hα-helixtrans-62.9-45.1174.7-73163000109.6F107 A536 Y537 A543 Q544F107-I540 HydrophobicContact CE1-CG1 3.88Å; F107-I540 HydrophobicContact CZ-CG1 4.33Å; A536-I540 WeakPolarHBondContact O-CB 3.5Å; A536-I540 WeakPolarHBondContact O-CD1 3.06Å; A536-I540 WeakPolarHBondContact O-CG1 3.41Å; A536-I540 PolarHBondContact O-N 3.39Å; Y537-I540 PolarHBondContact O-N 3.37Å; I540-A543 PolarHBondContact O-N 2.8Å; I540-Q544 WeakPolarHBondContact O-CB 3.3Å; I540-Q544 PolarHBondContact O-N 3.14Å
541H63.7Low59.9Low55 Ų5581.9 Ų81.926%0.25542%0.416SS..Hα-helixtrans-61.5-48.8177.3-157.8-80.1000111.5Y537 A543 Q544 E545Y537-H541 VanDerWaalsContact O-CB 3.24Å; Y537-H541 WeakPolarHBondContact O-CB 3.46Å; Y537-H541 PolarHBondContact O-N 2.87Å; H541-A543 PolarHBondContact O-N 2.85Å; H541-Q544 CarbonylContact O-C 3.45Å; H541-Q544 PolarHBondContact O-N 3.5Å; H541-Q544 VanDerWaalsContact O-N 3.11Å; H541-E545 IonicContact CE1-OE1 3.74Å; H541-E545 PolarHBondContact CE1-OE1 3.49Å; H541-E545 IonicContact CE1-OE2 2.7Å; H541-E545 PolarHBondContact CE1-OE2 2.99Å; H541-E545 IonicContact CG-OE2 2.7Å; H541-E545 IonicContact ND1-OE1 2.72Å; H541-E545 PolarHBondContact ND1-OE1 3.15Å; H541-E545 IonicContact ND1-OE2 2.67Å; H541-E545 PolarHBondContact ND1-OE2 3.28Å; H541-E545 WeakPolarHBondContact O-CB 3.43Å; H541-E545 PolarHBondContact O-N 2.99Å
542A62.3Low59.9Low37 Ų3781 Ų8131%0.30641%0.414SS..Hα-helixtrans-60.5-43.3176.300000111.8E538 Q544 E545 D546E538-A542 WeakPolarHBondContact O-CB 3.25Å; E538-A542 PolarHBondContact O-N 3.21Å; A542-Q544 VanDerWaalsContact C-N 3.31Å; A542-Q544 PolarHBondContact O-N 3.04Å; A542-E545 PolarHBondContact O-N 3.17Å; A542-D546 VanDerWaalsContact O-CB 3.29Å; A542-D546 WeakPolarHBondContact O-CB 3.47Å; A542-D546 PolarHBondContact O-N 2.9Å
543A53.2Low59.5Low20 Ų2082.8 Ų82.817%0.16542%0.416CS..Hα-helixtrans-70.7-26.6176.200000113.1F107 R111 A539 I540 H541 F547F107-A543 HydrophobicContact CE2-CB 4.49Å; F107-A543 HydrophobicContact CZ-CB 3.89Å; R111-A543 VanDerWaalsContact NH1-CB 3.3Å; A539-A543 WeakPolarHBondContact O-CB 3.15Å; A539-A543 PolarHBondContact O-N 3Å; I540-A543 PolarHBondContact O-N 2.8Å; H541-A543 PolarHBondContact O-N 2.85Å; A543-F547 WeakPolarHBondContact O-CB 3.32Å; A543-F547 PolarHBondContact O-N 3.28Å
544Q59.2Low58.5Low111 Ų11182.6 Ų82.652%0.51942%0.417SS..Hα-helixtrans-81-30.2176.2-170.3167.77.700111.4I540 H541 A542 L548I540-Q544 WeakPolarHBondContact O-CB 3.3Å; I540-Q544 PolarHBondContact O-N 3.14Å; H541-Q544 CarbonylContact O-C 3.45Å; H541-Q544 PolarHBondContact O-N 3.5Å; H541-Q544 VanDerWaalsContact O-N 3.11Å; A542-Q544 VanDerWaalsContact C-N 3.31Å; A542-Q544 PolarHBondContact O-N 3.04Å; Q544-L548 HydrophobicContact CG-CD1 4.37Å; Q544-L548 WeakPolarHBondContact O-CB 3.44Å; Q544-L548 WeakPolarHBondContact O-CD1 3.35Å; Q544-L548 WeakPolarHBondContact O-CG 3.45Å; Q544-L548 PolarHBondContact O-N 3.4Å
545E61.8Low57.5Low75 Ų7584.3 Ų84.335%0.3542%0.423SS..Hα-helixtrans-73.9-41.2167.1-78.3175138.900111.2H541 A542 L548 T549H541-E545 IonicContact CE1-OE1 3.74Å; H541-E545 PolarHBondContact CE1-OE1 3.49Å; H541-E545 IonicContact CE1-OE2 2.7Å; H541-E545 PolarHBondContact CE1-OE2 2.99Å; H541-E545 IonicContact CG-OE2 2.7Å; H541-E545 IonicContact ND1-OE1 2.72Å; H541-E545 PolarHBondContact ND1-OE1 3.15Å; H541-E545 IonicContact ND1-OE2 2.67Å; H541-E545 PolarHBondContact ND1-OE2 3.28Å; H541-E545 WeakPolarHBondContact O-CB 3.43Å; H541-E545 PolarHBondContact O-N 2.99Å; A542-E545 PolarHBondContact O-N 3.17Å; E545-L548 CarbonylContact O-C 3.55Å; E545-L548 PolarHBondContact O-N 2.89Å; E545-T549 WeakPolarHBondContact O-CA 3.07Å; E545-T549 WeakPolarHBondContact O-CB 3.1Å; E545-T549 PolarHBondContact O-N 3.45Å; E545-T549 PolarHBondContact O-OG1 3.34Å
546D57.7Low56.5Low48 Ų4881.9 Ų81.926%0.25742%0.417SS..Hα-helixtrans-61.1-50.1172.6-67.5-43.9000109.7R118 A542 L548 T549 E550R118-D546 IonicContact CZ-OD1 3.9Å; R118-D546 VanDerWaalsContact CZ-OD1 3.27Å; R118-D546 IonicContact CZ-OD2 2.74Å; R118-D546 VanDerWaalsContact NH1-CG 3.29Å; R118-D546 IonicContact NH1-OD1 2.7Å; R118-D546 PolarHBondContact NH1-OD1 3.41Å; R118-D546 IonicContact NH1-OD2 3.13Å; R118-D546 PolarHBondContact NH1-OD2 2.71Å; R118-D546 IonicContact NH2-OD1 3.68Å; R118-D546 PolarHBondContact NH2-OD1 3.23Å; R118-D546 IonicContact NH2-OD2 2.6Å; A542-D546 VanDerWaalsContact O-CB 3.29Å; A542-D546 WeakPolarHBondContact O-CB 3.47Å; A542-D546 PolarHBondContact O-N 2.9Å; D546-L548 PolarHBondContact O-N 2.63Å; D546-T549 PolarHBondContact O-N 2.8Å; D546-E550 VanDerWaalsContact O-CB 3.25Å; D546-E550 WeakPolarHBondContact O-CB 3.48Å; D546-E550 PolarHBondContact O-N 2.71Å
547F59.3Low55.5Low115 Ų11583.2 Ų83.250%0.50442%0.416SS..Hα-helixtrans-65.9-35.9176.2-179.1-100.5000112.9A543 K551A543-F547 WeakPolarHBondContact O-CB 3.32Å; A543-F547 PolarHBondContact O-N 3.28Å; F547-K551 HydrophobicContact CE1-CD 4.19Å; F547-K551 HydrophobicContact CZ-CD 4.28Å; F547-K551 WeakPolarHBondContact O-CB 3.44Å; F547-K551 PolarHBondContact O-N 2.77Å
548L51.8Low54.5Low87 Ų8780.7 Ų80.746%0.45541%0.414SS..Hα-helixtrans-71.2-31.8172.3-81.1167.5000111.9Q544 E545 D546 I552Q544-L548 HydrophobicContact CG-CD1 4.37Å; Q544-L548 WeakPolarHBondContact O-CB 3.44Å; Q544-L548 WeakPolarHBondContact O-CD1 3.35Å; Q544-L548 WeakPolarHBondContact O-CG 3.45Å; Q544-L548 PolarHBondContact O-N 3.4Å; E545-L548 CarbonylContact O-C 3.55Å; E545-L548 PolarHBondContact O-N 2.89Å; D546-L548 PolarHBondContact O-N 2.63Å; L548-I552 WeakPolarHBondContact O-CA 3.2Å; L548-I552 WeakPolarHBondContact O-CB 3.1Å; L548-I552 WeakPolarHBondContact O-CD1 3.11Å; L548-I552 WeakPolarHBondContact O-CG1 3.45Å; L548-I552 PolarHBondContact O-N 2.99Å
549T51.8Low53.4Low77 Ų7780.5 Ų80.547%0.47242%0.416SS..Hα-helixtrans-80.2-43.1-179.4-56.50000110.4E545 D546 I552 I553E545-T549 WeakPolarHBondContact O-CA 3.07Å; E545-T549 WeakPolarHBondContact O-CB 3.1Å; E545-T549 PolarHBondContact O-N 3.45Å; E545-T549 PolarHBondContact O-OG1 3.34Å; D546-T549 PolarHBondContact O-N 2.8Å; T549-I552 CarbonylContact O-C 3.58Å; T549-I552 PolarHBondContact O-N 3.12Å; T549-I553 HydrophobicContact CG2-CD1 3.85Å; T549-I553 HydrophobicContact CG2-CG1 4.42Å; T549-I553 VanDerWaalsContact O-CB 3.23Å; T549-I553 WeakPolarHBondContact O-CB 3.36Å; T549-I553 WeakPolarHBondContact O-CG1 3.28Å; T549-I553 PolarHBondContact O-N 2.72Å
550E56.1Low52.5Low104 Ų10483.5 Ų83.549%0.48643%0.432SS..Hα-helixtrans-57.4-49.4168.2-176.4174.1-141.300109.8D546 I552 I553 E554D546-E550 VanDerWaalsContact O-CB 3.25Å; D546-E550 WeakPolarHBondContact O-CB 3.48Å; D546-E550 PolarHBondContact O-N 2.71Å; E550-I552 PolarHBondContact O-N 2.9Å; E550-I553 CarbonylContact O-C 3.58Å; E550-I553 PolarHBondContact O-N 3.48Å; E550-I553 VanDerWaalsContact O-N 3.15Å; E550-E554 WeakPolarHBondContact O-CG 3.08Å; E550-E554 PolarHBondContact O-N 2.84Å
551K58.7Low51.2Low97 Ų9786 Ų8642%0.42244%0.442SS..Hα-helixtrans-69.7-29177.5-167.1167-172.7167.20113.9F547 Q555F547-K551 HydrophobicContact CE1-CD 4.19Å; F547-K551 HydrophobicContact CZ-CD 4.28Å; F547-K551 WeakPolarHBondContact O-CB 3.44Å; F547-K551 PolarHBondContact O-N 2.77Å; K551-Q555 WeakPolarHBondContact O-CA 3.23Å; K551-Q555 WeakPolarHBondContact O-CB 3.22Å; K551-Q555 PolarHBondContact O-N 3.21Å
552I55.2Low49.7Very low106 Ų10687.6 Ų87.654%0.54446%0.464SS..Hα-helixtrans-78.1-26.2171.9-73.9165.2000110.7L548 T549 E550 S556L548-I552 WeakPolarHBondContact O-CA 3.2Å; L548-I552 WeakPolarHBondContact O-CB 3.1Å; L548-I552 WeakPolarHBondContact O-CD1 3.11Å; L548-I552 WeakPolarHBondContact O-CG1 3.45Å; L548-I552 PolarHBondContact O-N 2.99Å; T549-I552 CarbonylContact O-C 3.58Å; T549-I552 PolarHBondContact O-N 3.12Å; E550-I552 PolarHBondContact O-N 2.9Å; I552-S556 WeakPolarHBondContact O-CA 3.36Å; I552-S556 WeakPolarHBondContact O-CB 3.14Å; I552-S556 PolarHBondContact O-N 2.68Å; I552-S556 PolarHBondContact O-OG 2.74Å
553I54Low48.2Very low88 Ų8888.5 Ų88.545%0.45148%0.478SS..Hα-helixtrans-73.6-51.3171-73.8169.3000109.4T549 E550 Q555 S556 I557T549-I553 HydrophobicContact CG2-CD1 3.85Å; T549-I553 HydrophobicContact CG2-CG1 4.42Å; T549-I553 VanDerWaalsContact O-CB 3.23Å; T549-I553 WeakPolarHBondContact O-CB 3.36Å; T549-I553 WeakPolarHBondContact O-CG1 3.28Å; T549-I553 PolarHBondContact O-N 2.72Å; E550-I553 CarbonylContact O-C 3.58Å; E550-I553 PolarHBondContact O-N 3.48Å; E550-I553 VanDerWaalsContact O-N 3.15Å; I553-Q555 VanDerWaalsContact C-N 3.34Å; I553-Q555 PolarHBondContact O-N 2.97Å; I553-S556 WeakPolarHBondContact CA-OG 3.34Å; I553-S556 PolarHBondContact O-N 2.74Å; I553-S556 PolarHBondContact O-OG 3.27Å; I553-I557 HydrophobicContact CG2-CD1 3.59Å; I553-I557 HydrophobicContact CG2-CG1 4.35Å; I553-I557 VanDerWaalsContact O-CB 3.28Å; I553-I557 WeakPolarHBondContact O-CB 3.27Å; I553-I557 VanDerWaalsContact O-CG1 3.23Å; I553-I557 WeakPolarHBondContact O-CG1 3.23Å; I553-I557 PolarHBondContact O-N 2.76Å
554E44.7Very low47.2Very low115 Ų11592.8 Ų92.854%0.53750%0.502SS..Hα-helixtrans-53.8-49.1170.2-73.1-167.8135.100111.6E550 L558E550-E554 WeakPolarHBondContact O-CG 3.08Å; E550-E554 PolarHBondContact O-N 2.84Å; E554-L558 WeakPolarHBondContact O-CB 3.43Å; E554-L558 WeakPolarHBondContact O-CD1 3.36Å; E554-L558 WeakPolarHBondContact O-CG 3.14Å; E554-L558 PolarHBondContact O-N 3.37Å
555Q44.5Very low45.8Very low104 Ų10496.2 Ų96.249%0.48652%0.518SS..Hα-helixtrans-77-18.5-177.7-160.1101.692.900112.7K551 I553 N559K551-Q555 WeakPolarHBondContact O-CA 3.23Å; K551-Q555 WeakPolarHBondContact O-CB 3.22Å; K551-Q555 PolarHBondContact O-N 3.21Å; I553-Q555 VanDerWaalsContact C-N 3.34Å; I553-Q555 PolarHBondContact O-N 2.97Å; Q555-N559 VanDerWaalsContact O-CB 3.29Å; Q555-N559 WeakPolarHBondContact O-CB 3.35Å; Q555-N559 VanDerWaalsContact O-CG 3.24Å; Q555-N559 PolarHBondContact O-N 3.28Å; Q555-N559 PolarHBondContact O-ND2 2.77Å
556S42.7Very low44.1Very low53 Ų5399.1 Ų99.137%0.37155%0.545SS..Hα-helixtrans-84.5-44.4170.659.10000111I552 I553 L558 N559 T560I552-S556 WeakPolarHBondContact O-CA 3.36Å; I552-S556 WeakPolarHBondContact O-CB 3.14Å; I552-S556 PolarHBondContact O-N 2.68Å; I552-S556 PolarHBondContact O-OG 2.74Å; I553-S556 WeakPolarHBondContact CA-OG 3.34Å; I553-S556 PolarHBondContact O-N 2.74Å; I553-S556 PolarHBondContact O-OG 3.27Å; S556-L558 PolarHBondContact O-N 3.27Å; S556-N559 CarbonylContact O-C 3.46Å; S556-N559 WeakPolarHBondContact O-CA 3.42Å; S556-N559 PolarHBondContact O-N 2.82Å; S556-T560 WeakPolarHBondContact O-CG2 3.43Å; S556-T560 PolarHBondContact O-N 3.13Å; S556-T560 PolarHBondContact O-OG1 2.61Å
557I42.7Very low42.7Very low74 Ų74104.1 Ų104.138%0.37957%0.572SS.*Hα-helixtrans-56-49.4171.1-67.6172000110I553 N559 T560 E561I553-I557 HydrophobicContact CG2-CD1 3.59Å; I553-I557 HydrophobicContact CG2-CG1 4.35Å; I553-I557 VanDerWaalsContact O-CB 3.28Å; I553-I557 WeakPolarHBondContact O-CB 3.27Å; I553-I557 VanDerWaalsContact O-CG1 3.23Å; I553-I557 WeakPolarHBondContact O-CG1 3.23Å; I553-I557 PolarHBondContact O-N 2.76Å; I557-N559 PolarHBondContact O-N 2.77Å; I557-N559 VanDerWaalsContact O-N 3.13Å; I557-T560 WeakPolarHBondContact CA-OG1 3.22Å; I557-T560 PolarHBondContact O-N 2.71Å; I557-T560 PolarHBondContact O-OG1 2.75Å; I557-E561 HydrophobicContact CG2-CG 3.98Å; I557-E561 WeakPolarHBondContact CG2-OE2 3.32Å; I557-E561 WeakPolarHBondContact O-CB 3.13Å; I557-E561 WeakPolarHBondContact O-CG 3.48Å; I557-E561 PolarHBondContact O-N 3.46Å
558L40.2Very low41.4Very low109 Ų109106.2 Ų106.257%0.57158%0.583SS**Hα-helixtrans-63.8-17174.6-73.3167.8000114.3E554 S556 A562E554-L558 WeakPolarHBondContact O-CB 3.43Å; E554-L558 WeakPolarHBondContact O-CD1 3.36Å; E554-L558 WeakPolarHBondContact O-CG 3.14Å; E554-L558 PolarHBondContact O-N 3.37Å; S556-L558 PolarHBondContact O-N 3.27Å; L558-A562 WeakPolarHBondContact O-CB 3.26Å
559N39.1Very low40.4Very low117 Ų117107.1 Ų107.163%0.62659%0.593SS**Hα-helixtrans-101.1-16.6175-79.7-44.8000113.8Q555 S556 I557Q555-N559 VanDerWaalsContact O-CB 3.29Å; Q555-N559 WeakPolarHBondContact O-CB 3.35Å; Q555-N559 VanDerWaalsContact O-CG 3.24Å; Q555-N559 PolarHBondContact O-N 3.28Å; Q555-N559 PolarHBondContact O-ND2 2.77Å; S556-N559 CarbonylContact O-C 3.46Å; S556-N559 WeakPolarHBondContact O-CA 3.42Å; S556-N559 PolarHBondContact O-N 2.82Å; I557-N559 PolarHBondContact O-N 2.77Å; I557-N559 VanDerWaalsContact O-N 3.13Å
560T39.5Very low39.4Very low88 Ų88111.4 Ų111.454%0.5461%0.612SS.*Hα-helixtrans-96-39.3174.5530000112.1S556 I557 A562 G563S556-T560 WeakPolarHBondContact O-CG2 3.43Å; S556-T560 PolarHBondContact O-N 3.13Å; S556-T560 PolarHBondContact O-OG1 2.61Å; I557-T560 WeakPolarHBondContact CA-OG1 3.22Å; I557-T560 PolarHBondContact O-N 2.71Å; I557-T560 PolarHBondContact O-OG1 2.75Å; T560-A562 VanDerWaalsContact C-N 3.27Å; T560-A562 PolarHBondContact O-N 3.14Å; T560-G563 WeakPolarHBondContact O-CA 3.35Å; T560-G563 PolarHBondContact O-N 3.11Å
561E36.7Very low38.3Very low127 Ų127112.9 Ų112.959%0.59362%0.619SS**THydrogen-bonded Turntrans-71.7-23175-63.9-167.5143.700112.5I557 G563I557-E561 HydrophobicContact CG2-CG 3.98Å; I557-E561 WeakPolarHBondContact CG2-OE2 3.32Å; I557-E561 WeakPolarHBondContact O-CB 3.13Å; I557-E561 WeakPolarHBondContact O-CG 3.48Å; I557-E561 PolarHBondContact O-N 3.46Å; E561-G563 PolarHBondContact O-N 3.01Å
562A33Very low37Very low87 Ų87116 Ų11672%0.71964%0.635SS**THydrogen-bonded Turntrans-70.1-2.9165.300000113.7L558 T560L558-A562 WeakPolarHBondContact O-CB 3.26Å; T560-A562 VanDerWaalsContact C-N 3.27Å; T560-A562 PolarHBondContact O-N 3.14Å
563G31.6Very low35.9Very low57 Ų57117.1 Ų117.159%0.58865%0.646SS**THydrogen-bonded Turntrans-112.4-25.8-168.700000117.2T560 E561T560-G563 WeakPolarHBondContact O-CA 3.35Å; T560-G563 PolarHBondContact O-N 3.11Å; E561-G563 PolarHBondContact O-N 3.01Å
564T31.8Very low34.8Very low110 Ų110118.9 Ų118.968%0.67566%0.656SS**SBendtrans-150.2102.6178.326.80000110.7
565Q28.4Very low34.3Very low182 Ų182121 Ų12185%0.8567%0.671SS**  86.883.195-170.7-173.6-17.600113.7
566C26.2Very low33.7Very low136 Ų136122.5 Ų122.592%0.91968%0.683SS**  trans-151.976.4160.5-116.40000110.2
567D28.7Very low33.3Very low154 Ų154126.6 Ų126.682%0.82471%0.706SS**  trans-158.462.8170-149.7-1.4000113.5
568E32.5Very low32.7Very low158 Ų158128.9 Ų128.974%0.73872%0.724SS**  trans-123.6108.3158.3-77.9-147.8125.100112.3
569T31.4Very low32.3Very low107 Ų107131.1 Ų131.166%0.65673%0.731SS**  trans62.7101.7148.457.90000119.1
570L30.7Very low31.9Very low166 Ų166130.7 Ų130.787%0.86973%0.729SS**  -168.6137.7120-95.5170.3000107.3
571Q33.2Very low31.5Very low135 Ų135135 Ų13563%0.63174%0.736SS**  cis167.1131.8-30.6164.7170.4-1400104.4
572E30.4Very low31.3Very low164 Ų164136.6 Ų136.677%0.76674%0.741SS**  trans64.8158176-68.4152.4-147.200114.7
573V33.1Very low31.3Very low129 Ų129139.1 Ų139.178%0.78274%0.742SS**  cis-128.4159.115.9175.40000111.6
574D31Very low31.3Very low124 Ų124142.7 Ų142.766%0.66375%0.747SS**  trans-46.6149.9174-72.1-78.6000116.9
575N33.9Very low31.3Very low159 Ų159144.5 Ų144.585%0.8575%0.747SS**  -164.6149.9105-104.9-70.1000115.1
576N31.3Very low31.5Very low137 Ų137142.3 Ų142.373%0.73374%0.74SS**  trans-98.8134.6-174.7-72.4-97.8000111.8
577T33.7Very low31.8Very low139 Ų139140.7 Ų140.785%0.85373%0.728SS**  trans-142.1120.8145.7-29.90000113.5
578T30.5Very low31.7Very low122 Ų122139.9 Ų139.975%0.74872%0.723SS**  trans-40.6153.1157.120.10000114
579E31.9Very low31.8Very low155 Ų155138.3 Ų138.372%0.72472%0.72SS**  -159.115563.5-90-160.5-173.700116.3
580N30.6Very low31.9Very low108 Ų108139.1 Ų139.158%0.57872%0.721SS**  trans37.1129141.4-58.8-51.8000120.1
581Y31Very low32.1Very low179 Ų179138.7 Ų138.770%0.70272%0.718SS**  -163.1122.164.3-101.9-82.3000115.6
582K32.2Very low31.9Very low160 Ų160141 Ų14170%0.69673%0.726SS**  trans70.1125.5141.6-75.9173.6-172149.90124.3
583L32.4Very low32Very low141 Ų141138.6 Ų138.674%0.73872%0.722SS**  trans74.1137.5136.1-89.275.1000118.5
584L33.3Very low31.9Very low132 Ų132141 Ų14169%0.69173%0.725SS**  cis-145.7146.43.2-81.8133.1000112.1
585H31.7Very low32Very low148 Ų148142.8 Ų142.869%0.68573%0.733SS**  trans59.7126.3146.5-76.8-120.1000121.2
586I31Very low31.9Very low135 Ų135142 Ų14269%0.69273%0.729SS**  cis83.112948.7-69.3165.9000112.7
587P33.5Very low31.9Very low102 Ų102141.5 Ų141.566%0.66273%0.733SS**  cis-141.9-177.6-13.439.6-19.2000117
588N27.4Very low31.9Very low137 Ų137143.6 Ų143.673%0.73373%0.733SS**  trans-12.2151.6146.8-31-16.3000118.6
589N33.5Very low32Very low126 Ų126144.5 Ų144.567%0.67474%0.738SS**  177.6155.994.6-117.733.7000116.7
590D34Very low31.9Very low124 Ų124146.1 Ų146.166%0.66374%0.743SS**  trans74.5146.3145.3-62.4-32.7000125.1
591I35Very low32Very low157 Ų157148.4 Ų148.481%0.80576%0.755SS**  trans67.495166.5-54.5134.9000115.3
592F28.5Very low32.1Very low183 Ų183147 Ų14780%0.80377%0.765SS**  cis81.8133.121.4-131.5-48.9000115.3
593T33.3Very low31.9Very low113 Ų113145.3 Ų145.369%0.69376%0.763SS**  trans92.6117.9160.861.40000122.9
594Q30.9Very low31.8Very low181 Ų181143.6 Ų143.685%0.84676%0.763SS**  trans84.9148.4141.3-72.2-179.2-51.400122.3
595I33Very low31.5Very low161 Ų161143.1 Ų143.183%0.82676%0.757SS**  trans71.9122.4-173.5-48.4167.4000112.6
596D31.8Very low31.3Very low143 Ų143141.4 Ų141.477%0.76576%0.761SS**  cis-148.1157.5-15.1-119.2-23.9000109.5
597P31.5Very low30.9Very low126 Ų126139 Ų13982%0.81875%0.752SS**  trans-104.459.9-164.940.8-36.1000115.3
598E32.6Very low30.4Very low182 Ų182139.3 Ų139.385%0.8576%0.756SS**  trans-137.128.4-171.6-148.5164.6-139.500118.1
599V32.4Very low30.3Very low141 Ų141138.8 Ų138.886%0.85575%0.753SS**  trans-130.562.4164.1-162.70000111.8
600K29.6Very low30.1Very low189 Ų189139.5 Ų139.582%0.82275%0.752SS**  trans-133.451.6169.5-131.2-178.2-173.8-172.80111.4
601N33.3Very low29.6Very low156 Ų156139.9 Ų139.983%0.83476%0.759SS**  trans-149.328.1-176-116-13.7000114.8
602V33.1Very low29.1Very low150 Ų150141.1 Ų141.191%0.90976%0.761SS**  trans-117.146.3157.1-163.80000108.9
603L27.8Very low29.2Very low125 Ų125137.1 Ų137.165%0.65475%0.754SS**SBendtrans-87.6143.6159.2-98.1166000108.1H605L603-H605 PolarHBondContact O-N 3.49Å
604S31.6Very low28.9Very low105 Ų105138.5 Ų138.573%0.73476%0.757SS**SBendtrans53.753.9150.2-480000116.4
605H25.6Very low28.9Very low122 Ų122137.5 Ų137.557%0.56576%0.756SS**  trans-139.320.2172.6-133.1-41000119.4L603 R1199L603-H605 PolarHBondContact O-N 3.49Å; H605-R1199 PolarHBondContact CD2-NH2 3.34Å; H605-R1199 VanDerWaalsContact CD2-NH2 3.33Å; H605-R1199 PolarHBondContact CE1-NH1 2.82Å; H605-R1199 PolarHBondContact NE2-NH1 2.85Å; H605-R1199 PolarHBondContact NE2-NH2 3.3Å
606S27.7Very low28.8Very low112 Ų112135.6 Ų135.678%0.78375%0.752SS**  -125.1108.6129.753.90000106.4
607V23.9Very low28.8Very low83 Ų83136.8 Ų136.850%0.50376%0.755SS.*  58.5109.857.2-166.90000106.2L609V607-L609 HydrophobicContact CG1-CG 4.28Å
608C22.9Very low28.9Very low110 Ų110138.1 Ų138.174%0.74376%0.756SS**  46.6140.794.5-36.90000111.3
609L24.5Very low28.9Very low126 Ų126137.3 Ų137.366%0.6676%0.757SS**  -160154.664.3-79.4164.2000110.1V607V607-L609 HydrophobicContact CG1-CG 4.28Å
610Q28.3Very low29.1Very low141 Ų141135.8 Ų135.866%0.65974%0.744SS**  trans47.9110.9137-59.9166.9-69.500116.5
611T23.4Very low29.6Very low131 Ų131132.9 Ų132.980%0.80474%0.738SS**  34.873.57274.40000113.6
612E25.3Very low29.9Very low183 Ų183134 Ų13486%0.85574%0.738SS**  trans-151.6154.2130.1-109.7159.5-138.200109.4
613P30.8Very low30.2Very low100 Ų100133.2 Ų133.265%0.64973%0.727SS**  trans-117.6-166.6-152.741.6-30.3000114.7
614N27.3Very low30.8Very low141 Ų141132.1 Ų132.175%0.75472%0.717SS**  trans94.7151.6169.6-47.4-56.4000116.3
615L30.7Very low31.1Very low160 Ų160132.9 Ų132.984%0.83871%0.713SS**  trans70.378.1-180-53.3169.7000114.3
616T29.8Very low31.5Very low121 Ų121136 Ų13674%0.74272%0.721SS**  71.382.763.575.40000116.5
617M31.9Very low32Very low168 Ų168134.6 Ų134.683%0.82871%0.708SS**  trans-156.8150.9138.4-91.1-53.5174.300107.8
618N33.5Very low32.9Very low155 Ų155135.6 Ų135.683%0.82971%0.714SS**  trans-111.3106.5-174.6-77.81.5000111.7
619D33.5Very low33.6Very low165 Ų165133.4 Ų133.488%0.88270%0.699SS**  trans-115.287171.5-67.9-47.2000109.9
620D37.1Very low34.5Very low108 Ų108133.1 Ų133.158%0.57870%0.698SS**  trans-1222.1-170.3-160.949.6000114.5K624D620-K624 VanDerWaalsContact CG-NZ 3.35Å; D620-K624 PolarHBondContact O-NZ 2.98Å; D620-K624 IonicContact OD2-NZ 3.72Å; D620-K624 PolarHBondContact OD2-NZ 3.42Å
621D39.9Very low35.6Very low129 Ų129131.7 Ų131.769%0.6969%0.691SS**SBendtrans-93-21.3-172.6-71.2-33.9000115.1
622Q39.8Very low36.9Very low180 Ų180131.7 Ų131.784%0.84168%0.68SS**THydrogen-bonded Turntrans-81.3-16-173.9-66-165.91.900115.4
623I38Very low37.9Very low132 Ų132128.6 Ų128.668%0.67766%0.661SS**THydrogen-bonded Turntrans-90.3-20.2-178.1-65.2177.7000112.5T627I623-T627 PolarHBondContact O-OG1 3.1Å
624K40.2Very low39.1Very low102 Ų102129.8 Ų129.844%0.44366%0.658SS.*Hα-helixtrans-70.2-37.4-175.6-63.2-174.318093.40112.7D620 Y626 T627 V628D620-K624 VanDerWaalsContact CG-NZ 3.35Å; D620-K624 PolarHBondContact O-NZ 2.98Å; D620-K624 IonicContact OD2-NZ 3.72Å; D620-K624 PolarHBondContact OD2-NZ 3.42Å; K624-Y626 PolarHBondContact O-N 2.96Å; K624-T627 PolarHBondContact O-N 2.85Å; K624-V628 PolarHBondContact O-N 3.31Å
625N38.6Very low41Very low122 Ų122129.2 Ų129.265%0.65265%0.649SS**Hα-helixtrans-65.2-38.9-179-77.4-8.7000114.1T627 C629N625-T627 VanDerWaalsContact C-N 3.32Å; N625-T627 PolarHBondContact O-N 3.4Å; N625-C629 PolarHBondContact O-N 3.38Å; N625-C629 PolarHBondContact O-SG 3.39Å
626Y33.5Very low42.3Very low187 Ų187125.1 Ų125.173%0.73363%0.626SS**Hα-helixtrans-67.4-32.6176.7-94.5-84.4000112.8K624 L630K624-Y626 PolarHBondContact O-N 2.96Å; Y626-L630 PolarHBondContact O-N 2.95Å; Y626-L630 VanDerWaalsContact O-N 3.13Å
627T39.9Very low43.6Very low83 Ų83123.9 Ų123.951%0.50961%0.614SS.*Hα-helixtrans-71.2-40.6-178.9-51.50000111.6I623 K624 N625 L630 E631I623-T627 PolarHBondContact O-OG1 3.1Å; K624-T627 PolarHBondContact O-N 2.85Å; N625-T627 VanDerWaalsContact C-N 3.32Å; N625-T627 PolarHBondContact O-N 3.4Å; T627-L630 PolarHBondContact O-N 3.09Å; T627-E631 PolarHBondContact O-N 3.27Å; T627-E631 VanDerWaalsContact O-N 3.09Å
628V42.8Very low45.2Very low103 Ų103120.4 Ų120.462%0.62460%0.599SS**Hα-helixtrans-65.9-41176.4176.70000111.5K624 L630 E631 F632K624-V628 PolarHBondContact O-N 3.31Å; V628-L630 PolarHBondContact O-N 3.34Å; V628-E631 PolarHBondContact O-N 2.74Å; V628-F632 PolarHBondContact O-N 2.75Å
629C36.2Very low46.7Very low64 Ų64116.9 Ų116.943%0.43259%0.586SS.*Hα-helixtrans-61-44.9175.3-660000111.7N625 E631 F632 Y633N625-C629 PolarHBondContact O-N 3.38Å; N625-C629 PolarHBondContact O-SG 3.39Å; C629-E631 PolarHBondContact O-N 3.29Å; C629-F632 PolarHBondContact O-N 3.36Å; C629-Y633 HydrophobicContact CB-CD2 4.45Å; C629-Y633 HydrophobicContact CB-CE2 4.35Å; C629-Y633 WeakPolarHBondContact O-CD2 3.29Å; C629-Y633 PolarHBondContact O-N 3.15Å
630L43.8Very low47.8Very low120 Ų120114 Ų11463%0.62857%0.569SS**Hα-helixtrans-63.2-40177.9-83.3165000112.8Y626 T627 V628 F632 H634Y626-L630 PolarHBondContact O-N 2.95Å; Y626-L630 VanDerWaalsContact O-N 3.13Å; T627-L630 PolarHBondContact O-N 3.09Å; V628-L630 PolarHBondContact O-N 3.34Å; L630-F632 VanDerWaalsContact C-N 3.35Å; L630-H634 VanDerWaalsContact O-CB 3.28Å; L630-H634 WeakPolarHBondContact O-CB 3.33Å; L630-H634 PolarHBondContact O-N 2.74Å
631E51.9Low49Very low111 Ų111113.1 Ų113.152%0.51956%0.564SS.*Hα-helixtrans-62.7-40.1172-92.5-146.4-166.800112.8T627 V628 C629 H634 K635T627-E631 PolarHBondContact O-N 3.27Å; T627-E631 VanDerWaalsContact O-N 3.09Å; V628-E631 PolarHBondContact O-N 2.74Å; C629-E631 PolarHBondContact O-N 3.29Å; E631-H634 PolarHBondContact O-N 3.05Å; E631-K635 WeakPolarHBondContact O-CB 3.37Å; E631-K635 WeakPolarHBondContact O-CG 3.26Å; E631-K635 PolarHBondContact O-N 3.41Å; E631-K635 IonicContact OE2-NZ 2.8Å; E631-K635 PolarHBondContact OE2-NZ 3.48Å
632F51.3Low50.3Low132 Ų132111.4 Ų111.458%0.57955%0.554SS**Hα-helixtrans-65.1-49.3178.5-175.4-105.9000111.5V628 C629 L630 H634 K635 M636V628-F632 PolarHBondContact O-N 2.75Å; C629-F632 PolarHBondContact O-N 3.36Å; L630-F632 VanDerWaalsContact C-N 3.35Å; F632-H634 PolarHBondContact O-N 3.36Å; F632-K635 PolarHBondContact O-N 3.38Å; F632-M636 HydrophobicContact CD1-CE 3.87Å; F632-M636 HydrophobicContact CE1-CE 3.38Å; F632-M636 HydrophobicContact CZ-CE 4.11Å; F632-M636 WeakPolarHBondContact O-CB 3.42Å; F632-M636 PolarHBondContact O-N 3.17Å
633Y45.7Very low51.2Low118 Ų118105.5 Ų105.546%0.46354%0.537SS..Hα-helixtrans-62.5-39.3175.4-73.1-62.6000112.3C629 M636 I637C629-Y633 HydrophobicContact CB-CD2 4.45Å; C629-Y633 HydrophobicContact CB-CE2 4.35Å; C629-Y633 WeakPolarHBondContact O-CD2 3.29Å; C629-Y633 PolarHBondContact O-N 3.15Å; Y633-M636 HydrophobicContact CD1-CE 4.04Å; Y633-M636 HydrophobicContact CE1-CE 4.18Å; Y633-M636 PolarHBondContact O-N 3.39Å; Y633-I637 WeakPolarHBondContact O-CB 3.25Å; Y633-I637 WeakPolarHBondContact O-CD1 3.49Å; Y633-I637 VanDerWaalsContact O-CG1 3.3Å; Y633-I637 WeakPolarHBondContact O-CG1 2.97Å; Y633-I637 PolarHBondContact O-N 3.02Å
634H55.4Low51.9Low124 Ų124102.7 Ų102.757%0.57453%0.529SS*.Hα-helixtrans-66.4-40.5177.7-154.696.5000111.9L630 E631 F632 L638L630-H634 VanDerWaalsContact O-CB 3.28Å; L630-H634 WeakPolarHBondContact O-CB 3.33Å; L630-H634 PolarHBondContact O-N 2.74Å; E631-H634 PolarHBondContact O-N 3.05Å; F632-H634 PolarHBondContact O-N 3.36Å; H634-L638 WeakPolarHBondContact O-CB 3.33Å; H634-L638 VanDerWaalsContact O-CG 3.29Å; H634-L638 WeakPolarHBondContact O-CG 3.21Å; H634-L638 PolarHBondContact O-N 2.78Å
635K68.5Low53.2Low129 Ų129100.9 Ų100.956%0.56153%0.526SS*.Hα-helixtrans-65.8-39172.7-77.1164.2176.9159.30112.2E631 F632 S639E631-K635 WeakPolarHBondContact O-CB 3.37Å; E631-K635 WeakPolarHBondContact O-CG 3.26Å; E631-K635 PolarHBondContact O-N 3.41Å; E631-K635 IonicContact OE2-NZ 2.8Å; E631-K635 PolarHBondContact OE2-NZ 3.48Å; F632-K635 PolarHBondContact O-N 3.38Å; K635-S639 WeakPolarHBondContact O-CB 3.21Å; K635-S639 PolarHBondContact O-N 2.77Å
636M56.1Low54.8Low74 Ų74101.7 Ų101.737%0.36552%0.524SS..Hα-helixtrans-64.8-48.4176.3-168.4-162-56.400111.6F632 Y633 L638 S639 I640F632-M636 HydrophobicContact CD1-CE 3.87Å; F632-M636 HydrophobicContact CE1-CE 3.38Å; F632-M636 HydrophobicContact CZ-CE 4.11Å; F632-M636 WeakPolarHBondContact O-CB 3.42Å; F632-M636 PolarHBondContact O-N 3.17Å; Y633-M636 HydrophobicContact CD1-CE 4.04Å; Y633-M636 HydrophobicContact CE1-CE 4.18Å; Y633-M636 PolarHBondContact O-N 3.39Å; M636-L638 PolarHBondContact O-N 2.7Å; M636-S639 WeakPolarHBondContact O-CB 3.29Å; M636-S639 PolarHBondContact O-N 3.43Å; M636-S639 VanDerWaalsContact O-N 3.13Å; M636-I640 HydrophobicContact CG-CD1 4.02Å; M636-I640 WeakPolarHBondContact O-CG1 3.1Å; M636-I640 PolarHBondContact O-N 3.16Å; M636-I640 HydrophobicContact SD-CD1 4.41Å
637I57.7Low56Low95 Ų9598.5 Ų98.549%0.48752%0.519SS..Hα-helixtrans-61.2-43.4177.1-71.7162.6000110.8Y633 S639 I640 I641Y633-I637 WeakPolarHBondContact O-CB 3.25Å; Y633-I637 WeakPolarHBondContact O-CD1 3.49Å; Y633-I637 VanDerWaalsContact O-CG1 3.3Å; Y633-I637 WeakPolarHBondContact O-CG1 2.97Å; Y633-I637 PolarHBondContact O-N 3.02Å; I637-S639 VanDerWaalsContact C-N 3.34Å; I637-S639 PolarHBondContact O-N 3.08Å; I637-I640 PolarHBondContact O-N 3.31Å; I637-I641 HydrophobicContact CG2-CD1 3.74Å; I637-I641 WeakPolarHBondContact O-CB 3.43Å; I637-I641 VanDerWaalsContact O-CG1 3.24Å; I637-I641 WeakPolarHBondContact O-CG1 3.38Å; I637-I641 PolarHBondContact O-N 2.9Å
638L66.7Low57.3Low96 Ų96101.4 Ų101.450%0.50352%0.524SS..Hα-helixtrans-63.7-37.4174.2-73.4175.4000112.5H634 M636 I641 D642H634-L638 WeakPolarHBondContact O-CB 3.33Å; H634-L638 VanDerWaalsContact O-CG 3.29Å; H634-L638 WeakPolarHBondContact O-CG 3.21Å; H634-L638 PolarHBondContact O-N 2.78Å; M636-L638 PolarHBondContact O-N 2.7Å; L638-I641 PolarHBondContact O-N 2.75Å; L638-D642 PolarHBondContact O-N 2.71Å
639S64.9Low58.6Low80 Ų80103.2 Ų103.256%0.55953%0.526SS*.Hα-helixtrans-67.1-41.3175.5-172.60000112.3K635 M636 I637 I641 D642 A643K635-S639 WeakPolarHBondContact O-CB 3.21Å; K635-S639 PolarHBondContact O-N 2.77Å; M636-S639 WeakPolarHBondContact O-CB 3.29Å; M636-S639 PolarHBondContact O-N 3.43Å; M636-S639 VanDerWaalsContact O-N 3.13Å; I637-S639 VanDerWaalsContact C-N 3.34Å; I637-S639 PolarHBondContact O-N 3.08Å; S639-I641 VanDerWaalsContact C-N 3.33Å; S639-I641 PolarHBondContact O-N 3.29Å; S639-D642 PolarHBondContact O-N 3.46Å; S639-A643 VanDerWaalsContact O-CB 3.27Å; S639-A643 WeakPolarHBondContact O-CB 3.42Å; S639-A643 PolarHBondContact O-N 3.43Å
640I55.4Low59.9Low104 Ų104105 Ų10553%0.53353%0.528SS..Hα-helixtrans-65.3-37.1174.2-68.1166.4000110.7M636 I637 S644M636-I640 HydrophobicContact CG-CD1 4.02Å; M636-I640 WeakPolarHBondContact O-CG1 3.1Å; M636-I640 PolarHBondContact O-N 3.16Å; M636-I640 HydrophobicContact SD-CD1 4.41Å; I637-I640 PolarHBondContact O-N 3.31Å; I640-S644 WeakPolarHBondContact O-CB 3.35Å; I640-S644 PolarHBondContact O-N 3.23Å
641I62.6Low60.4Low90 Ų90104.4 Ų104.446%0.46253%0.525SS..Hα-helixtrans-70.3-41.5175.4-70.3167.9000111.5I637 L638 S639 S644 T645I637-I641 HydrophobicContact CG2-CD1 3.74Å; I637-I641 WeakPolarHBondContact O-CB 3.43Å; I637-I641 VanDerWaalsContact O-CG1 3.24Å; I637-I641 WeakPolarHBondContact O-CG1 3.38Å; I637-I641 PolarHBondContact O-N 2.9Å; L638-I641 PolarHBondContact O-N 2.75Å; S639-I641 VanDerWaalsContact C-N 3.33Å; S639-I641 PolarHBondContact O-N 3.29Å; I641-S644 PolarHBondContact O-N 3.4Å; I641-T645 HydrophobicContact CG2-CG2 4.33Å; I641-T645 WeakPolarHBondContact O-CB 3Å; I641-T645 VanDerWaalsContact O-CG2 3.3Å; I641-T645 WeakPolarHBondContact O-CG2 3.49Å; I641-T645 PolarHBondContact O-N 3.14Å; I641-T645 PolarHBondContact O-OG1 2.82Å
642D66.4Low61Low93 Ų93102.1 Ų102.150%0.49752%0.518SS..Hα-helixtrans-63.5-48.7173.7-169.669.4000110.4L638 S639 S644 T645 K646L638-D642 PolarHBondContact O-N 2.71Å; S639-D642 PolarHBondContact O-N 3.46Å; D642-S644 PolarHBondContact O-N 2.8Å; D642-T645 PolarHBondContact O-N 2.83Å; D642-T645 PolarHBondContact O-OG1 2.92Å; D642-T645 VanDerWaalsContact O-OG1 3.12Å; D642-K646 WeakPolarHBondContact O-CB 3.21Å; D642-K646 PolarHBondContact O-N 2.68Å
643A60.3Low61.6Low57 Ų5797.9 Ų97.947%0.47151%0.508SS..Hα-helixtrans-58.6-44.4175.800000112.3S639 L647S639-A643 VanDerWaalsContact O-CB 3.27Å; S639-A643 WeakPolarHBondContact O-CB 3.42Å; S639-A643 PolarHBondContact O-N 3.43Å; A643-L647 WeakPolarHBondContact O-CB 3.42Å; A643-L647 PolarHBondContact O-N 3.33Å
644S53Low62.3Low73 Ų7397.6 Ų97.651%0.5151%0.511SS..Hα-helixtrans-66.6-43.4178.2-173.60000112.3I640 I641 D642 K648I640-S644 WeakPolarHBondContact O-CB 3.35Å; I640-S644 PolarHBondContact O-N 3.23Å; I641-S644 PolarHBondContact O-N 3.4Å; D642-S644 PolarHBondContact O-N 2.8Å; S644-K648 WeakPolarHBondContact O-CB 3.28Å; S644-K648 PolarHBondContact O-N 2.89Å
645T67.6Low62.7Low63 Ų6395.6 Ų95.639%0.38750%0.503SS..Hα-helixtrans-71.3-33.8178.154.10000112.3I641 D642 H649I641-T645 HydrophobicContact CG2-CG2 4.33Å; I641-T645 WeakPolarHBondContact O-CB 3Å; I641-T645 VanDerWaalsContact O-CG2 3.3Å; I641-T645 WeakPolarHBondContact O-CG2 3.49Å; I641-T645 PolarHBondContact O-N 3.14Å; I641-T645 PolarHBondContact O-OG1 2.82Å; D642-T645 PolarHBondContact O-N 2.83Å; D642-T645 PolarHBondContact O-OG1 2.92Å; D642-T645 VanDerWaalsContact O-OG1 3.12Å; T645-H649 WeakPolarHBondContact O-CB 3.41Å; T645-H649 PolarHBondContact O-N 2.78Å
646K70.3Confident62.5Low139 Ų13994 Ų9460%0.60450%0.501SS*.Hα-helixtrans-71.3-45.3175.3-166173.3-168.9170.50111.9D642 K648 H649 E650D642-K646 WeakPolarHBondContact O-CB 3.21Å; D642-K646 PolarHBondContact O-N 2.68Å; K646-K648 VanDerWaalsContact C-N 3.33Å; K646-K648 PolarHBondContact O-N 2.71Å; K646-H649 PolarHBondContact O-N 2.79Å; K646-E650 WeakPolarHBondContact O-CB 3.19Å; K646-E650 PolarHBondContact O-N 3.27Å
647L60.6Low62.6Low120 Ų12095.4 Ų95.463%0.62851%0.51SS*.Hα-helixtrans-61.5-41.9170.9-168.285.5000111A643 H649 E650 L651A643-L647 WeakPolarHBondContact O-CB 3.42Å; A643-L647 PolarHBondContact O-N 3.33Å; L647-H649 VanDerWaalsContact C-N 3.35Å; L647-H649 PolarHBondContact O-N 2.67Å; L647-E650 PolarHBondContact O-N 3.45Å; L647-L651 WeakPolarHBondContact O-CB 3.3Å; L647-L651 PolarHBondContact O-N 3.14Å
648K66.6Low62.1Low144 Ų14496.3 Ų96.363%0.62651%0.512SS*.Hα-helixtrans-63.1-39.7174.3-177.3178.4-179.8179.70111.7S644 K646 T652S644-K648 WeakPolarHBondContact O-CB 3.28Å; S644-K648 PolarHBondContact O-N 2.89Å; K646-K648 VanDerWaalsContact C-N 3.33Å; K646-K648 PolarHBondContact O-N 2.71Å; K648-T652 WeakPolarHBondContact O-CB 3.39Å; K648-T652 PolarHBondContact O-N 2.67Å; K648-T652 PolarHBondContact O-OG1 2.71Å
649H68.9Low61.3Low141 Ų14194.3 Ų94.365%0.65350%0.502SS*.Hα-helixtrans-69-41.9175-99.6-64.6000112.4T645 K646 L647 T652 A653T645-H649 WeakPolarHBondContact O-CB 3.41Å; T645-H649 PolarHBondContact O-N 2.78Å; K646-H649 PolarHBondContact O-N 2.79Å; L647-H649 VanDerWaalsContact C-N 3.35Å; L647-H649 PolarHBondContact O-N 2.67Å; H649-T652 PolarHBondContact O-N 3.3Å; H649-A653 WeakPolarHBondContact O-CB 3.15Å; H649-A653 PolarHBondContact O-N 2.95Å
650E63.9Low60.6Low102 Ų10293 Ų9348%0.47749%0.493SS..Hα-helixtrans-69.4-40.5179-166.6166.9-148.300111.3K12 K646 L647 A653 H654K12-E650 IonicContact NZ-OE1 3.48Å; K12-E650 PolarHBondContact NZ-OE1 3.07Å; K12-E650 IonicContact NZ-OE2 3.77Å; K12-E650 PolarHBondContact NZ-OE2 3.08Å; K646-E650 WeakPolarHBondContact O-CB 3.19Å; K646-E650 PolarHBondContact O-N 3.27Å; L647-E650 PolarHBondContact O-N 3.45Å; E650-A653 PolarHBondContact O-N 3.48Å; E650-H654 WeakPolarHBondContact O-CB 3.29Å; E650-H654 PolarHBondContact O-N 3.31Å
651L54.9Low60Low107 Ų10797 Ų9756%0.5650%0.501SS*.Hα-helixtrans-67-40.7172.2-168.572.4000111.8L647 A653 H654 I655L647-L651 WeakPolarHBondContact O-CB 3.3Å; L647-L651 PolarHBondContact O-N 3.14Å; L651-A653 VanDerWaalsContact C-N 3.33Å; L651-H654 PolarHBondContact O-N 3.42Å; L651-I655 HydrophobicContact CD1-CD1 4.5Å; L651-I655 HydrophobicContact CG-CD1 3.97Å; L651-I655 VanDerWaalsContact O-CB 3.28Å; L651-I655 WeakPolarHBondContact O-CB 3.33Å; L651-I655 WeakPolarHBondContact O-CG1 3.1Å; L651-I655 PolarHBondContact O-N 3.33Å
652T64.7Low58.9Low63 Ų6397.7 Ų97.739%0.38750%0.504SS..Hα-helixtrans-67.8-34.3174.8-57.40000111.4K648 H649 N656K648-T652 WeakPolarHBondContact O-CB 3.39Å; K648-T652 PolarHBondContact O-N 2.67Å; K648-T652 PolarHBondContact O-OG1 2.71Å; H649-T652 PolarHBondContact O-N 3.3Å; T652-N656 WeakPolarHBondContact O-CB 3.48Å; T652-N656 PolarHBondContact O-N 2.89Å; T652-N656 PolarHBondContact O-ND2 3.49Å
653A64.5Low58Low43 Ų4397.7 Ų97.736%0.35550%0.504SS..Hα-helixtrans-66.9-50.9173.500000110.7H649 E650 L651 I655 N656 D657H649-A653 WeakPolarHBondContact O-CB 3.15Å; H649-A653 PolarHBondContact O-N 2.95Å; E650-A653 PolarHBondContact O-N 3.48Å; L651-A653 VanDerWaalsContact C-N 3.33Å; A653-I655 VanDerWaalsContact C-N 3.32Å; A653-I655 PolarHBondContact O-N 3.29Å; A653-N656 CarbonylContact O-C 3.59Å; A653-N656 WeakPolarHBondContact O-CA 3.25Å; A653-N656 PolarHBondContact O-N 2.99Å; A653-D657 WeakPolarHBondContact O-CB 3.38Å; A653-D657 PolarHBondContact O-N 2.81Å
654H60.1Low57.1Low113 Ų11398.3 Ų98.352%0.52350%0.499SS..Hα-helixtrans-61.8-38.7178.2-163.1-73.4000112.5E650 L651 Q658E650-H654 WeakPolarHBondContact O-CB 3.29Å; E650-H654 PolarHBondContact O-N 3.31Å; L651-H654 PolarHBondContact O-N 3.42Å; H654-Q658 VanDerWaalsContact CE1-CD 3.42Å; H654-Q658 PolarHBondContact CE1-OE1 3.4Å; H654-Q658 PolarHBondContact ND1-OE1 2.77Å; H654-Q658 WeakPolarHBondContact O-CB 3.16Å; H654-Q658 WeakPolarHBondContact O-CG 3.33Å; H654-Q658 PolarHBondContact O-N 3.37Å
655I62.8Low56.6Low82 Ų8299.7 Ų99.742%0.42150%0.501SS..Hα-helixtrans-66.3-39.9172.5-71.1170.2000110.8L651 A653 N659L651-I655 HydrophobicContact CD1-CD1 4.5Å; L651-I655 HydrophobicContact CG-CD1 3.97Å; L651-I655 VanDerWaalsContact O-CB 3.28Å; L651-I655 WeakPolarHBondContact O-CB 3.33Å; L651-I655 WeakPolarHBondContact O-CG1 3.1Å; L651-I655 PolarHBondContact O-N 3.33Å; A653-I655 VanDerWaalsContact C-N 3.32Å; A653-I655 PolarHBondContact O-N 3.29Å; I655-N659 VanDerWaalsContact O-CB 3.27Å; I655-N659 WeakPolarHBondContact O-CB 3.16Å; I655-N659 PolarHBondContact O-N 2.87Å; I655-N659 PolarHBondContact O-ND2 3.13Å
656N63.8Low55.3Low96 Ų96103.3 Ų103.351%0.51352%0.517SS..Hα-helixtrans-70.4-36.8176.5-79.3-22.5000112.7T652 A653 N659 S660T652-N656 WeakPolarHBondContact O-CB 3.48Å; T652-N656 PolarHBondContact O-N 2.89Å; T652-N656 PolarHBondContact O-ND2 3.49Å; A653-N656 CarbonylContact O-C 3.59Å; A653-N656 WeakPolarHBondContact O-CA 3.25Å; A653-N656 PolarHBondContact O-N 2.99Å; N656-N659 CarbonylContact O-C 3.46Å; N656-N659 PolarHBondContact O-N 3.01Å; N656-S660 WeakPolarHBondContact O-CB 3.17Å; N656-S660 PolarHBondContact O-N 2.78Å
657D58.7Low53.7Low102 Ų102103.5 Ų103.555%0.54552%0.524SS..Hα-helixtrans-71.9-42178.4-74.2-21.4000111A653 S660 W661A653-D657 WeakPolarHBondContact O-CB 3.38Å; A653-D657 PolarHBondContact O-N 2.81Å; D657-S660 WeakPolarHBondContact O-CB 3.22Å; D657-S660 PolarHBondContact O-N 3.18Å; D657-S660 VanDerWaalsContact O-N 3.09Å; D657-W661 VanDerWaalsContact O-CD1 3.27Å; D657-W661 PolarHBondContact O-N 3.38Å
658Q47.9Very low52.7Low115 Ų115103.4 Ų103.454%0.53752%0.523SS..Hα-helixtrans-65.3-38.4170.4-74.5-172.9-48.300112.3H654 S660 M662H654-Q658 VanDerWaalsContact CE1-CD 3.42Å; H654-Q658 PolarHBondContact CE1-OE1 3.4Å; H654-Q658 PolarHBondContact ND1-OE1 2.77Å; H654-Q658 WeakPolarHBondContact O-CB 3.16Å; H654-Q658 WeakPolarHBondContact O-CG 3.33Å; H654-Q658 PolarHBondContact O-N 3.37Å; Q658-S660 VanDerWaalsContact C-N 3.28Å; Q658-S660 PolarHBondContact O-N 3.11Å; Q658-M662 WeakPolarHBondContact O-CB 3.19Å; Q658-M662 WeakPolarHBondContact O-CG 3.48Å; Q658-M662 PolarHBondContact O-N 3.39Å
659N50Low51.3Low54 Ų54103.7 Ų103.729%0.28953%0.532SS..Hα-helixtrans-66.8-28.5170-84-80.7000112.1I655 N656 N663I655-N659 VanDerWaalsContact O-CB 3.27Å; I655-N659 WeakPolarHBondContact O-CB 3.16Å; I655-N659 PolarHBondContact O-N 2.87Å; I655-N659 PolarHBondContact O-ND2 3.13Å; N656-N659 CarbonylContact O-C 3.46Å; N656-N659 PolarHBondContact O-N 3.01Å; N659-N663 WeakPolarHBondContact O-CB 3.41Å; N659-N663 PolarHBondContact O-N 3.04Å; N659-N663 PolarHBondContact O-ND2 2.89Å
660S50.7Low49.6Very low53 Ų53107.9 Ų107.937%0.37154%0.543SS..Hα-helixtrans-66.4-56.3175.3-167.10000109.6N656 D657 Q658 M662 N663 N664 D1042N656-S660 WeakPolarHBondContact O-CB 3.17Å; N656-S660 PolarHBondContact O-N 2.78Å; D657-S660 WeakPolarHBondContact O-CB 3.22Å; D657-S660 PolarHBondContact O-N 3.18Å; D657-S660 VanDerWaalsContact O-N 3.09Å; Q658-S660 VanDerWaalsContact C-N 3.28Å; Q658-S660 PolarHBondContact O-N 3.11Å; S660-M662 PolarHBondContact O-N 3.36Å; S660-N663 PolarHBondContact O-N 3.23Å; S660-N664 PolarHBondContact O-ND2 3.23Å; S660-D1042 VanDerWaalsContact O-OD2 3.08Å
661W42.3Very low48.1Very low187 Ų187107.3 Ų107.371%0.70856%0.557SS**Hα-helixtrans-60.2-29.2178.8-79.462.7000113.6D657D657-W661 VanDerWaalsContact O-CD1 3.27Å; D657-W661 PolarHBondContact O-N 3.38Å
662M39.8Very low47.2Very low104 Ų104111.1 Ų111.151%0.51257%0.573SS.*Hα-helixtrans-80.2-13.2174.9-80.2-177.257.900114.7Q658 S660 L687Q658-M662 WeakPolarHBondContact O-CB 3.19Å; Q658-M662 WeakPolarHBondContact O-CG 3.48Å; Q658-M662 PolarHBondContact O-N 3.39Å; S660-M662 PolarHBondContact O-N 3.36Å; M662-L687 HydrophobicContact CE-CD2 3.94Å; M662-L687 HydrophobicContact SD-CD2 4.1Å
663N45.8Very low45.6Very low94 Ų94116.6 Ų116.650%0.50359%0.592SS.*Hα-helixtrans-94.8-22.4-170-95.4-58.3000115.5N659 S660N659-N663 WeakPolarHBondContact O-CB 3.41Å; N659-N663 PolarHBondContact O-N 3.04Å; N659-N663 PolarHBondContact O-ND2 2.89Å; S660-N663 PolarHBondContact O-N 3.23Å
664N42.8Very low44Very low70 Ų70122.7 Ų122.737%0.37461%0.613SS.*Hα-helixtrans-99.4-22.5-177.8-55.3-86.3000114.1S660 L666 D1042S660-N664 PolarHBondContact O-ND2 3.23Å; N664-L666 PolarHBondContact O-N 2.92Å; N664-D1042 HydrophobicContact CB-CB 4.26Å; N664-D1042 VanDerWaalsContact CB-OD2 3.32Å; N664-D1042 WeakPolarHBondContact CB-OD2 3.22Å; N664-D1042 PolarHBondContact ND2-OD1 2.89Å; N664-D1042 PolarHBondContact ND2-OD2 2.96Å
665D43.1Very low42.9Very low101 Ų101121.1 Ų121.154%0.5462%0.615SS.*THydrogen-bonded Turntrans-71.720.2-178.3-156.922.7000114.6I1040D665-I1040 WeakPolarHBondContact OD1-CB 3.26Å; D665-I1040 WeakPolarHBondContact OD1-CG2 3.29Å
666L40Very low41.6Very low140 Ų140123.9 Ų123.973%0.73363%0.626SS**THydrogen-bonded Turntrans-127.36.6-169.7-110.1166.1000114.8N664N664-L666 PolarHBondContact O-N 2.92Å
667L36.4Very low40.4Very low143 Ų143125.8 Ų125.875%0.74963%0.632SS**  trans-114.424-161.5-130.5157.5000116.7
668L39.8Very low39.7Very low117 Ų117127 Ų12761%0.61364%0.638SS**  trans-145.355.9176.6-148.175.7000118.5K1038 I1040L668-K1038 PolarHBondContact O-NZ 2.82Å; L668-I1040 HydrophobicContact CB-CD1 4.47Å
669D37.3Very low39.7Very low151 Ų151128 Ų12881%0.80764%0.637SS**  trans-147.7141.7136.8-136-44.6000111.8K1038D669-K1038 IonicContact OD2-NZ 3.19Å
670Y31.6Very low39.4Very low228 Ų228129.1 Ų129.189%0.89464%0.64SS**  trans-131.771.1-146.7-168.2-95.1000114
671A33.3Very low39.1Very low91 Ų91131 Ų13175%0.75265%0.646SS**  trans-15844.1-175.200000120.6
672M35Very low39.7Very low186 Ų186128.5 Ų128.592%0.91664%0.642SS**  trans-171.7142.6140.5-108.9169.666.600114
673K32.4Very low40.4Very low179 Ų179127.6 Ų127.678%0.77864%0.639SS**  trans-91.2149.7-167.9-54.3175.4175.6-178.70114.2
674H31.5Very low40.8Very low170 Ų170127.3 Ų127.379%0.78763%0.633SS**SBendtrans76.472.3153.2-53-59.7000119
675S36.5Very low41.7Very low81 Ų81128.2 Ų128.257%0.56664%0.642SS**  trans-162.513.7148.9740000116.5Q677S675-Q677 PolarHBondContact O-N 3.4Å
676E36.2Very low42.7Very low140 Ų140128.1 Ų128.165%0.65464%0.638SS**Hα-helixtrans-76-23.1-155.7-75.5151.9131.100116.6D678 R679 E680E676-D678 VanDerWaalsContact C-N 3.26Å; E676-D678 PolarHBondContact O-N 3.45Å; E676-R679 PolarHBondContact O-N 2.85Å; E676-R679 VanDerWaalsContact O-N 3.13Å; E676-E680 PolarHBondContact O-N 2.98Å
677Q38.6Very low43Very low136 Ų136126.3 Ų126.364%0.63663%0.628SS**Hα-helixtrans-62.2-31.9179.8-15974.175.200113.2S675 E680 N681S675-Q677 PolarHBondContact O-N 3.4Å; Q677-E680 PolarHBondContact NE2-OE2 2.88Å; Q677-N681 PolarHBondContact O-ND2 3.48Å
678D42.4Very low43.8Very low126 Ų126124.8 Ų124.867%0.67462%0.62SS**Hα-helixtrans-77-37176.8-61.9-45.1000111E676 N681 E682E676-D678 VanDerWaalsContact C-N 3.26Å; E676-D678 PolarHBondContact O-N 3.45Å; D678-N681 PolarHBondContact O-N 3.27Å; D678-E682 WeakPolarHBondContact O-CB 3.42Å; D678-E682 PolarHBondContact O-N 3.39Å
679R47.5Very low44.8Very low138 Ų138121.2 Ų121.252%0.52160%0.602SS.*Hα-helixtrans-75.2-27.9-176.7-148.5-17986.398.60.2113.2E676 E682 L683E676-R679 PolarHBondContact O-N 2.85Å; E676-R679 VanDerWaalsContact O-N 3.13Å; R679-E682 PolarHBondContact O-N 2.99Å; R679-L683 WeakPolarHBondContact O-CB 3.47Å; R679-L683 PolarHBondContact O-N 3.14Å
680E44.1Very low46.2Very low77 Ų77118 Ų11836%0.3658%0.584SS.*Hα-helixtrans-66-42.7171.8-162.1-158.914200111E676 Q677 K684E676-E680 PolarHBondContact O-N 2.98Å; Q677-E680 PolarHBondContact NE2-OE2 2.88Å; E680-K684 WeakPolarHBondContact O-CB 3.42Å; E680-K684 WeakPolarHBondContact O-CG 3.33Å; E680-K684 PolarHBondContact O-N 3.13Å; E680-K684 IonicContact OE1-NZ 2.71Å; E680-K684 PolarHBondContact OE1-NZ 3.47Å
681N45.2Very low46.8Very low92 Ų92114.6 Ų114.649%0.49257%0.571SS.*Hα-helixtrans-66.2-41.3172.6-73.1-50.8000111.7Q677 D678 L683 K684 V685Q677-N681 PolarHBondContact O-ND2 3.48Å; D678-N681 PolarHBondContact O-N 3.27Å; N681-L683 PolarHBondContact O-N 3.3Å; N681-K684 PolarHBondContact O-N 3.41Å; N681-V685 WeakPolarHBondContact O-CB 3.44Å; N681-V685 WeakPolarHBondContact O-CG2 3.48Å; N681-V685 PolarHBondContact O-N 3.27Å
682E54.1Low47.6Very low134 Ų134114.8 Ų114.863%0.62656%0.559SS**Hα-helixtrans-62.5-41.5177.6-163.3170-131.700111.8D678 R679 V685 Q686D678-E682 WeakPolarHBondContact O-CB 3.42Å; D678-E682 PolarHBondContact O-N 3.39Å; R679-E682 PolarHBondContact O-N 2.99Å; E682-V685 PolarHBondContact O-N 3.28Å; E682-Q686 WeakPolarHBondContact O-CB 3.33Å; E682-Q686 PolarHBondContact O-N 3.4Å
683L55.1Low48.6Very low86 Ų86108.5 Ų108.545%0.4553%0.529SS..Hα-helixtrans-70.5-37.6173.9-81.2165000113.4R679 N681 V685 Q686 L687R679-L683 WeakPolarHBondContact O-CB 3.47Å; R679-L683 PolarHBondContact O-N 3.14Å; N681-L683 PolarHBondContact O-N 3.3Å; L683-V685 VanDerWaalsContact C-N 3.34Å; L683-Q686 WeakPolarHBondContact O-CB 3.23Å; L683-Q686 PolarHBondContact O-N 2.83Å; L683-L687 WeakPolarHBondContact O-CB 3.47Å; L683-L687 PolarHBondContact O-N 2.86Å
684K53.2Low49.4Very low87 Ų87106.8 Ų106.838%0.37852%0.524SS..Hα-helixtrans-64.6-38.5173.3-78.5171.6172.7172.50111.6E680 N681 L688E680-K684 WeakPolarHBondContact O-CB 3.42Å; E680-K684 WeakPolarHBondContact O-CG 3.33Å; E680-K684 PolarHBondContact O-N 3.13Å; E680-K684 IonicContact OE1-NZ 2.71Å; E680-K684 PolarHBondContact OE1-NZ 3.47Å; N681-K684 PolarHBondContact O-N 3.41Å; K684-L688 WeakPolarHBondContact O-CB 3.28Å; K684-L688 PolarHBondContact O-N 2.96Å
685V63.1Low49.9Very low90 Ų90101 Ų10155%0.54550%0.502SS..Hα-helixtrans-67.5-37.6171.3169.30000111.7N681 E682 L683 N689N681-V685 WeakPolarHBondContact O-CB 3.44Å; N681-V685 WeakPolarHBondContact O-CG2 3.48Å; N681-V685 PolarHBondContact O-N 3.27Å; E682-V685 PolarHBondContact O-N 3.28Å; L683-V685 VanDerWaalsContact C-N 3.34Å; V685-N689 WeakPolarHBondContact O-CB 3.45Å; V685-N689 PolarHBondContact O-N 3.45Å
686Q62.7Low50.1Low98 Ų98100.3 Ų100.346%0.45849%0.492SS..Hα-helixtrans-63.7-51.2176.1-164.976.946.900111.2E682 L683 L688 N689 D690E682-Q686 WeakPolarHBondContact O-CB 3.33Å; E682-Q686 PolarHBondContact O-N 3.4Å; L683-Q686 WeakPolarHBondContact O-CB 3.23Å; L683-Q686 PolarHBondContact O-N 2.83Å; Q686-L688 PolarHBondContact O-N 3.18Å; Q686-N689 WeakPolarHBondContact O-CB 3.18Å; Q686-N689 PolarHBondContact O-N 2.89Å; Q686-D690 VanDerWaalsContact O-CG 3.23Å; Q686-D690 PolarHBondContact O-N 3.37Å
687L48.1Very low50.4Low103 Ų103101.3 Ų101.354%0.53950%0.496SS..Hα-helixtrans-65.8-40.3-178.9-164.871.7000111.9M662 L683 N689 D690 Y691M662-L687 HydrophobicContact CE-CD2 3.94Å; M662-L687 HydrophobicContact SD-CD2 4.1Å; L683-L687 WeakPolarHBondContact O-CB 3.47Å; L683-L687 PolarHBondContact O-N 2.86Å; L687-N689 VanDerWaalsContact C-N 3.35Å; L687-D690 PolarHBondContact O-N 3.37Å; L687-Y691 WeakPolarHBondContact O-CB 3.32Å; L687-Y691 PolarHBondContact O-N 2.93Å
688L51.5Low50.6Low110 Ų110101.8 Ų101.858%0.57650%0.503SS*.Hα-helixtrans-65.7-37.1173.9-166.675.9000111.8K684 Q686 D690 L692K684-L688 WeakPolarHBondContact O-CB 3.28Å; K684-L688 PolarHBondContact O-N 2.96Å; Q686-L688 PolarHBondContact O-N 3.18Å; L688-D690 VanDerWaalsContact C-N 3.33Å; L688-L692 HydrophobicContact CG-CD1 4.18Å; L688-L692 VanDerWaalsContact O-CB 3.25Å; L688-L692 WeakPolarHBondContact O-CB 3.28Å; L688-L692 WeakPolarHBondContact O-CD1 3.34Å; L688-L692 WeakPolarHBondContact O-CG 3.22Å; L688-L692 PolarHBondContact O-N 2.83Å
689N61.8Low50.5Low43 Ų43102.8 Ų102.823%0.2351%0.507CS..Hα-helixtrans-66.4-34.9175173110.8000111.9V685 Q686 L687 N693 K718V685-N689 WeakPolarHBondContact O-CB 3.45Å; V685-N689 PolarHBondContact O-N 3.45Å; Q686-N689 WeakPolarHBondContact O-CB 3.18Å; Q686-N689 PolarHBondContact O-N 2.89Å; L687-N689 VanDerWaalsContact C-N 3.35Å; N689-N693 PolarHBondContact ND2-ND2 3.48Å; N689-N693 PolarHBondContact O-N 3.41Å; N689-N693 VanDerWaalsContact O-N 3.16Å; N689-N693 PolarHBondContact O-ND2 3.32Å; N689-K718 WeakPolarHBondContact OD1-CE 3.21Å; N689-K718 PolarHBondContact OD1-NZ 2.71Å
690D65.9Low50.1Low82 Ų82101.2 Ų101.244%0.43951%0.513SS..Hα-helixtrans-78.6-40.8179.6-62.6-13.1000110.4Q686 L687 L688 L692 N693 E694Q686-D690 VanDerWaalsContact O-CG 3.23Å; Q686-D690 PolarHBondContact O-N 3.37Å; L687-D690 PolarHBondContact O-N 3.37Å; L688-D690 VanDerWaalsContact C-N 3.33Å; D690-L692 PolarHBondContact O-N 3.27Å; D690-N693 PolarHBondContact O-N 3Å; D690-N693 VanDerWaalsContact O-N 3.14Å; D690-E694 PolarHBondContact O-N 3.09Å; D690-E694 VanDerWaalsContact O-N 3.07Å
691Y43.8Very low49.6Very low158 Ų158102.8 Ų102.862%0.6253%0.528SS*.Hα-helixtrans-62-40.1171.6-159.7-101.4000112.4L687 N693 E694 C695L687-Y691 WeakPolarHBondContact O-CB 3.32Å; L687-Y691 PolarHBondContact O-N 2.93Å; Y691-N693 VanDerWaalsContact C-N 3.35Å; Y691-N693 PolarHBondContact O-N 2.82Å; Y691-E694 PolarHBondContact O-N 3.39Å; Y691-E694 VanDerWaalsContact O-N 3.15Å; Y691-C695 PolarHBondContact O-N 3.49Å; Y691-C695 PolarHBondContact O-SG 3.28Å; Y691-C695 VanDerWaalsContact O-SG 3.39Å
692L51.9Low49.1Very low94 Ų94105.3 Ų105.349%0.49254%0.541SS..Hα-helixtrans-65-34.3173-76.6167.5000112.7L688 D690 E694 D696L688-L692 HydrophobicContact CG-CD1 4.18Å; L688-L692 VanDerWaalsContact O-CB 3.25Å; L688-L692 WeakPolarHBondContact O-CB 3.28Å; L688-L692 WeakPolarHBondContact O-CD1 3.34Å; L688-L692 WeakPolarHBondContact O-CG 3.22Å; L688-L692 PolarHBondContact O-N 2.83Å; D690-L692 PolarHBondContact O-N 3.27Å; L692-E694 VanDerWaalsContact C-N 3.3Å; L692-D696 WeakPolarHBondContact O-CB 3.25Å; L692-D696 VanDerWaalsContact O-CG 3.29Å; L692-D696 PolarHBondContact O-N 2.74Å
693N54.6Low48Very low55 Ų55105 Ų10529%0.29455%0.548SS..Hα-helixtrans-69.1-28.3172.4-80.6-67.3000112.5N689 D690 Y691 H697 R714N689-N693 PolarHBondContact ND2-ND2 3.48Å; N689-N693 PolarHBondContact O-N 3.41Å; N689-N693 VanDerWaalsContact O-N 3.16Å; N689-N693 PolarHBondContact O-ND2 3.32Å; D690-N693 PolarHBondContact O-N 3Å; D690-N693 VanDerWaalsContact O-N 3.14Å; Y691-N693 VanDerWaalsContact C-N 3.35Å; Y691-N693 PolarHBondContact O-N 2.82Å; N693-H697 PolarHBondContact O-CD2 2.91Å; N693-R714 PolarHBondContact OD1-NH1 2.98Å; N693-R714 PolarHBondContact OD1-NH2 3.3Å
694E49.6Very low46.9Very low142 Ų142108.3 Ų108.366%0.66457%0.565SS**Hα-helixtrans-77.7-38.1176-160.8155.5-138.800111.3D690 Y691 L692 H697D690-E694 PolarHBondContact O-N 3.09Å; D690-E694 VanDerWaalsContact O-N 3.07Å; Y691-E694 PolarHBondContact O-N 3.39Å; Y691-E694 VanDerWaalsContact O-N 3.15Å; L692-E694 VanDerWaalsContact C-N 3.3Å; E694-H697 PolarHBondContact O-N 3.16Å
695C42Very low45.8Very low50 Ų50109.7 Ų109.734%0.33859%0.586SS.*Hα-helixtrans-67.3-35.4169.9-64.60000113.6Y691 H697 L698 L699Y691-C695 PolarHBondContact O-N 3.49Å; Y691-C695 PolarHBondContact O-SG 3.28Å; Y691-C695 VanDerWaalsContact O-SG 3.39Å; C695-H697 PolarHBondContact O-N 2.98Å; C695-H697 VanDerWaalsContact O-N 3.14Å; C695-L698 PolarHBondContact O-N 3.41Å; C695-L699 PolarHBondContact O-N 3.47Å
696D41Very low44.3Very low65 Ų65112.2 Ų112.235%0.34860%0.596SS.*Hα-helixtrans-57.9-26.5176.7-87.1-12000111.9L692 L698 V700 R714L692-D696 WeakPolarHBondContact O-CB 3.25Å; L692-D696 VanDerWaalsContact O-CG 3.29Å; L692-D696 PolarHBondContact O-N 2.74Å; D696-L698 VanDerWaalsContact C-N 3.3Å; D696-L698 PolarHBondContact O-N 3.48Å; D696-V700 WeakPolarHBondContact O-CG2 3.35Å; D696-V700 PolarHBondContact O-N 2.78Å; D696-R714 IonicContact OD2-CZ 3.72Å; D696-R714 IonicContact OD2-NH2 3.85Å; D696-R714 PolarHBondContact OD2-NH2 3.37Å
697H42.1Very low43Very low161 Ų161113 Ų11375%0.74561%0.607SS**Hα-helixtrans-72.3-16.6175.6-88-68.3000114.8N693 E694 C695N693-H697 PolarHBondContact O-CD2 2.91Å; E694-H697 PolarHBondContact O-N 3.16Å; C695-H697 PolarHBondContact O-N 2.98Å; C695-H697 VanDerWaalsContact O-N 3.14Å
698L42.1Very low42.9Very low146 Ų146118.1 Ų118.176%0.76463%0.625SS**Hα-helixtrans-98.8-14177.6-87.7145.7000113.7C695 D696C695-L698 PolarHBondContact O-N 3.41Å; D696-L698 VanDerWaalsContact C-N 3.3Å; D696-L698 PolarHBondContact O-N 3.48Å
699L40.9Very low42.2Very low147 Ų147120.2 Ų120.277%0.7763%0.627SS**Hα-helixtrans-102.5-8.2179.8-87.1163.5000114.7C695C695-L699 PolarHBondContact O-N 3.47Å
700V38.7Very low41.1Very low105 Ų105124.7 Ų124.764%0.63665%0.65SS**SBendtrans-89.7-9.9-176.11670000113.6D696 N702D696-V700 WeakPolarHBondContact O-CG2 3.35Å; D696-V700 PolarHBondContact O-N 2.78Å; V700-N702 PolarHBondContact O-N 3.18Å
701T35.4Very low40Very low110 Ų110127.5 Ų127.568%0.67567%0.665SS**SBendtrans-93.753178.351.60000113.9
702N32.7Very low40.1Very low145 Ų145127 Ų12778%0.77567%0.668SS**SBendtrans-165.9118.6144.8-102.6-32000113.5V700V700-N702 PolarHBondContact O-N 3.18Å
703V30.9Very low39.4Very low129 Ų129126.4 Ų126.478%0.78266%0.662SS**SBendtrans70.8149.9169.9-159.10000116.3
704I32.3Very low38.9Very low155 Ų155130 Ų13080%0.79567%0.671SS**  trans65.665.1179.6-35.9-175.5000115.9
705S31.5Very low39.1Very low116 Ų116128 Ų12881%0.81167%0.669SS**  trans-102.462.7166.8-71.80000113.1
706D30.9Very low39.4Very low142 Ų142128.9 Ų128.976%0.75967%0.67SS**  trans-154.898.7166.9-148.2-6.2000113.9
707T35.5Very low39.4Very low115 Ų115128.4 Ų128.471%0.70667%0.671SS**  trans168.5147.2142.632.60000111.7Y709T707-Y709 PolarHBondContact O-N 3Å
708K45.8Very low39.6Very low211 Ų211126.7 Ų126.792%0.91766%0.661SS**SBendtrans-93.531.9-171.2-62.9175.5179.9169.60114.7
709Y36.6Very low40.1Very low154 Ų154122.7 Ų122.760%0.60465%0.646SS**  trans-100-24.4-170.9-87.6-80.5000115.4T707 D711 H712T707-Y709 PolarHBondContact O-N 3Å; Y709-D711 PolarHBondContact O-N 3.4Å; Y709-H712 PolarHBondContact O-N 3.48Å
710L39.2Very low40.4Very low136 Ų136119.1 Ų119.171%0.71263%0.627SS**Hα-helixtrans-65-34.1-168.2-113.8159.3000114.8H712 F713 R714L710-H712 PolarHBondContact O-N 2.91Å; L710-H712 VanDerWaalsContact O-N 3.16Å; L710-F713 PolarHBondContact O-N 2.65Å; L710-R714 PolarHBondContact O-N 3.33Å
711D42.3Very low41Very low141 Ų141119 Ų11975%0.75463%0.627SS**Hα-helixtrans-59.3-27.8-179.3-81.6-28.2000113.9Y709Y709-D711 PolarHBondContact O-N 3.4Å
712H46.1Very low42.1Very low149 Ų149117.8 Ų117.869%0.6962%0.623SS**Hα-helixtrans-77.5-46.4179.7-139.844.7000111.2Y709 L710 R714 T715Y709-H712 PolarHBondContact O-N 3.48Å; L710-H712 PolarHBondContact O-N 2.91Å; L710-H712 VanDerWaalsContact O-N 3.16Å; H712-R714 VanDerWaalsContact C-N 3.3Å; H712-R714 PolarHBondContact O-N 3.25Å; H712-T715 PolarHBondContact O-N 2.84Å
713F37.1Very low43.2Very low81 Ų81114 Ų11436%0.35560%0.602SS.*Hα-helixtrans-59.5-36.6178-102.9-83.6000113.1L710 T715 D716 C717 T796L710-F713 PolarHBondContact O-N 2.65Å; F713-T715 PolarHBondContact O-N 3.23Å; F713-D716 PolarHBondContact O-N 3.42Å; F713-C717 PolarHBondContact O-SG 3.29Å; F713-C717 VanDerWaalsContact O-SG 3.38Å; F713-T796 HydrophobicContact CE1-CG2 4.14Å; F713-T796 HydrophobicContact CE2-CG2 4.09Å; F713-T796 HydrophobicContact CZ-CG2 3.74Å
714R43.4Very low44.3Very low130 Ų130113.2 Ų113.249%0.49159%0.588SS.*Hα-helixtrans-60.6-16-177.7-136.6173-172.6-132-1.8113.8N693 D696 L710 H712N693-R714 PolarHBondContact OD1-NH1 2.98Å; N693-R714 PolarHBondContact OD1-NH2 3.3Å; D696-R714 IonicContact OD2-CZ 3.72Å; D696-R714 IonicContact OD2-NH2 3.85Å; D696-R714 PolarHBondContact OD2-NH2 3.37Å; L710-R714 PolarHBondContact O-N 3.33Å; H712-R714 VanDerWaalsContact C-N 3.3Å; H712-R714 PolarHBondContact O-N 3.25Å
715T54.1Low45.7Very low100 Ų100108.4 Ų108.461%0.61358%0.577SS**Hα-helixtrans-88.2-45.7-179.5-450000113.1H712 F713H712-T715 PolarHBondContact O-N 2.84Å; F713-T715 PolarHBondContact O-N 3.23Å
716D48.5Very low47.3Very low68 Ų68110.2 Ų110.236%0.36457%0.573SS.*Hα-helixtrans-76.9-29.7-172.1-76.3-22.6000113.3F713 K718 S719F713-D716 PolarHBondContact O-N 3.42Å; D716-K718 PolarHBondContact O-N 2.72Å; D716-K718 VanDerWaalsContact O-N 3.09Å; D716-S719 PolarHBondContact O-N 3.45Å; D716-S719 PolarHBondContact O-OG 2.78Å
717C41.4Very low48.6Very low56 Ų56107 Ų10738%0.37856%0.555SS.*Hα-helixtrans-56.3-29.2-176.9-71.40000114.1F713 S719 L720 T721F713-C717 PolarHBondContact O-SG 3.29Å; F713-C717 VanDerWaalsContact O-SG 3.38Å; C717-S719 PolarHBondContact O-N 3.24Å; C717-S719 VanDerWaalsContact O-N 3.11Å; C717-L720 PolarHBondContact O-N 2.77Å; C717-T721 PolarHBondContact O-N 3.22Å; C717-T721 VanDerWaalsContact O-N 3.12Å; C717-T721 PolarHBondContact O-OG1 3Å
718K46.5Very low50.1Low124 Ų124106.5 Ų106.554%0.53955%0.548SS..Hα-helixtrans-59-25.7177.5-66.6-162.4174.3-1640113.3N689 D716N689-K718 WeakPolarHBondContact OD1-CE 3.21Å; N689-K718 PolarHBondContact OD1-NZ 2.71Å; D716-K718 PolarHBondContact O-N 2.72Å; D716-K718 VanDerWaalsContact O-N 3.09Å
719S53.1Low51.2Low63 Ų63100.7 Ų100.744%0.44153%0.531SS..Hα-helixtrans-78.4-31.6174.269.80000113.4D716 C717D716-S719 PolarHBondContact O-N 3.45Å; D716-S719 PolarHBondContact O-OG 2.78Å; C717-S719 PolarHBondContact O-N 3.24Å; C717-S719 VanDerWaalsContact O-N 3.11Å
720L45.9Very low52.2Low71 Ų7199.9 Ų99.937%0.37253%0.533SS..Hα-helixtrans-76.8-37.4-179-77.3162.5000112.1C717 S722 I723 F724C717-L720 PolarHBondContact O-N 2.77Å; L720-S722 VanDerWaalsContact C-N 3.25Å; L720-S722 PolarHBondContact O-N 3.3Å; L720-I723 PolarHBondContact O-N 3.42Å; L720-F724 HydrophobicContact CB-CD2 4.25Å; L720-F724 HydrophobicContact CB-CE2 4.31Å; L720-F724 HydrophobicContact CD2-CE2 4.17Å; L720-F724 WeakPolarHBondContact O-CD2 3.31Å; L720-F724 PolarHBondContact O-N 3.05Å
721T51.5Low53.5Low102 Ų10297.9 Ų97.963%0.62652%0.522SS*.Hα-helixtrans-54.9-40.5179.2-48.30000112.3C717 I723 G725C717-T721 PolarHBondContact O-N 3.22Å; C717-T721 VanDerWaalsContact O-N 3.12Å; C717-T721 PolarHBondContact O-OG1 3Å; T721-I723 VanDerWaalsContact C-N 3.32Å; T721-I723 PolarHBondContact O-N 3.38Å; T721-G725 PolarHBondContact O-N 3.04Å
722S60Low54.5Low85 Ų8596.1 Ų96.159%0.59451%0.513SS*.Hα-helixtrans-65.7-32177.5-177.90000113.3L720L720-S722 VanDerWaalsContact C-N 3.25Å; L720-S722 PolarHBondContact O-N 3.3Å
723I55.3Low55.6Low65 Ų6597.9 Ų97.933%0.33351%0.513SS..Hα-helixtrans-78.8-45.6178.9-61.2174.6000110.3L720 T721 G725 Q726 L727 L781L720-I723 PolarHBondContact O-N 3.42Å; T721-I723 VanDerWaalsContact C-N 3.32Å; T721-I723 PolarHBondContact O-N 3.38Å; I723-G725 VanDerWaalsContact C-N 3.31Å; I723-G725 PolarHBondContact O-N 3.18Å; I723-Q726 PolarHBondContact O-N 2.82Å; I723-L727 PolarHBondContact O-N 2.75Å; I723-L781 HydrophobicContact CG2-CD2 4.11Å
724F52.8Low56.7Low113 Ų11397.5 Ų97.550%0.49651%0.514SS..Hα-helixtrans-63.7-35.8177.5-80.5-68000112.7L720 Q726 L727 L728L720-F724 HydrophobicContact CB-CD2 4.25Å; L720-F724 HydrophobicContact CB-CE2 4.31Å; L720-F724 HydrophobicContact CD2-CE2 4.17Å; L720-F724 WeakPolarHBondContact O-CD2 3.31Å; L720-F724 PolarHBondContact O-N 3.05Å; F724-Q726 PolarHBondContact O-N 3.13Å; F724-Q726 VanDerWaalsContact O-N 3.13Å; F724-L727 PolarHBondContact O-N 3.43Å; F724-L728 HydrophobicContact CB-CD1 4.38Å; F724-L728 HydrophobicContact CD1-CD1 4.38Å; F724-L728 PolarHBondContact O-N 3.18Å
725G62.8Low57.9Low55 Ų5596.6 Ų96.657%0.56752%0.519SS*.Hα-helixtrans-60.3-19.3174.900000115T721 I723T721-G725 PolarHBondContact O-N 3.04Å; I723-G725 VanDerWaalsContact C-N 3.31Å; I723-G725 PolarHBondContact O-N 3.18Å
726Q64.5Low58.5Low153 Ų15395.4 Ų95.472%0.71551%0.511SS*.Hα-helixtrans-93.4-26.6172.4-64.5-173.13.500113.2I723 F724I723-Q726 PolarHBondContact O-N 2.82Å; F724-Q726 PolarHBondContact O-N 3.13Å; F724-Q726 VanDerWaalsContact O-N 3.13Å
727L58.1Low59Low75 Ų7597.4 Ų97.439%0.39352%0.521SS..Hα-helixtrans-84.9-35.1-177.3-110.572.6000114.1I723 F724 E730 I731I723-L727 PolarHBondContact O-N 2.75Å; F724-L727 PolarHBondContact O-N 3.43Å; L727-E730 PolarHBondContact O-N 2.76Å; L727-E730 VanDerWaalsContact O-N 3.13Å; L727-I731 HydrophobicContact CB-CD1 4.35Å; L727-I731 PolarHBondContact O-N 2.84Å; L727-I731 VanDerWaalsContact O-N 3.11Å
728L67Low59.8Low105 Ų10598.4 Ų98.455%0.5553%0.529SS..Hα-helixtrans-53.3-50.7-172.4-110.168.2000114.1F724 E730 I731 D732F724-L728 HydrophobicContact CB-CD1 4.38Å; F724-L728 HydrophobicContact CD1-CD1 4.38Å; F724-L728 PolarHBondContact O-N 3.18Å; L728-E730 PolarHBondContact O-N 3.32Å; L728-I731 PolarHBondContact O-N 3.04Å; L728-D732 PolarHBondContact O-N 3.43Å
729P68.8Low60.5Low88 Ų8899.3 Ų99.357%0.57153%0.532SS*.Hα-helixtrans-63.8-24.5-178.2-22.634.5000114R733P729-R733 WeakPolarHBondContact O-CB 3.39Å; P729-R733 PolarHBondContact O-N 3.46Å
730E58.3Low61.2Low138 Ų138100.1 Ų100.165%0.64553%0.531SS*.Hα-helixtrans-86.5-30.3-178.5-157147-123.300111.5L727 L728 L734L727-E730 PolarHBondContact O-N 2.76Å; L727-E730 VanDerWaalsContact O-N 3.13Å; L728-E730 PolarHBondContact O-N 3.32Å; E730-L734 WeakPolarHBondContact O-CG 3.42Å; E730-L734 PolarHBondContact O-N 2.86Å
731I66.1Low61.5Low94 Ų9498.7 Ų98.748%0.48253%0.533SS..Hα-helixtrans-66-46.8167.9-66168.2000110.6L727 L728 R733 L734 L735L727-I731 HydrophobicContact CB-CD1 4.35Å; L727-I731 PolarHBondContact O-N 2.84Å; L727-I731 VanDerWaalsContact O-N 3.11Å; L728-I731 PolarHBondContact O-N 3.04Å; I731-R733 VanDerWaalsContact C-N 3.32Å; I731-R733 PolarHBondContact O-N 2.85Å; I731-L734 WeakPolarHBondContact O-CB 3.32Å; I731-L734 PolarHBondContact O-N 2.86Å; I731-L735 PolarHBondContact O-N 3.41Å
732D63.9Low61.4Low103 Ų10397.4 Ų97.455%0.55153%0.528SS*.Hα-helixtrans-63.4-39.2-175.5-157.934000112L728 L734 L735 T736L728-D732 PolarHBondContact O-N 3.43Å; D732-L734 VanDerWaalsContact C-N 3.32Å; D732-L734 PolarHBondContact O-N 3.05Å; D732-L735 PolarHBondContact O-N 3.26Å; D732-T736 PolarHBondContact O-N 3.02Å; D732-T736 PolarHBondContact O-OG1 3.16Å
733R68.5Low60.8Low187 Ų18798.6 Ų98.671%0.70652%0.524SS*.Hα-helixtrans-65.3-31.5173.4-164.5176.8-171-176.54.8113.3P729 I731 L737P729-R733 WeakPolarHBondContact O-CB 3.39Å; P729-R733 PolarHBondContact O-N 3.46Å; I731-R733 VanDerWaalsContact C-N 3.32Å; I731-R733 PolarHBondContact O-N 2.85Å; R733-L737 PolarHBondContact O-N 3.39Å
734L60.4Low60.9Low72 Ų72103.3 Ų103.338%0.37754%0.542SS..Hα-helixtrans-76.8-38.9174-72.5171.7000111.9E730 I731 D732 T736 L737 C738 L770E730-L734 WeakPolarHBondContact O-CG 3.42Å; E730-L734 PolarHBondContact O-N 2.86Å; I731-L734 WeakPolarHBondContact O-CB 3.32Å; I731-L734 PolarHBondContact O-N 2.86Å; D732-L734 VanDerWaalsContact C-N 3.32Å; D732-L734 PolarHBondContact O-N 3.05Å; L734-T736 VanDerWaalsContact C-N 3.29Å; L734-T736 PolarHBondContact O-N 3.11Å; L734-L737 PolarHBondContact O-N 2.88Å; L734-L737 VanDerWaalsContact O-N 3.17Å; L734-C738 PolarHBondContact O-N 3.43Å; L734-L770 HydrophobicContact CD1-CD2 3.86Å; L734-L770 HydrophobicContact CD2-CD1 4.4Å; L734-L770 HydrophobicContact CD2-CD2 3.83Å; L734-L770 HydrophobicContact CG-CD2 4.49Å
735L69.1Low60.6Low112 Ų112102.4 Ų102.459%0.58654%0.542SS*.Hα-helixtrans-60.1-42.1175.4-162.173.2000111.2I731 D732 L737 C738 K739I731-L735 PolarHBondContact O-N 3.41Å; D732-L735 PolarHBondContact O-N 3.26Å; L735-L737 PolarHBondContact O-N 3.36Å; L735-C738 WeakPolarHBondContact O-CB 3.28Å; L735-C738 PolarHBondContact O-N 3.33Å; L735-K739 PolarHBondContact O-N 2.9Å; L735-K739 VanDerWaalsContact O-N 3.08Å
736T66.6Low60.2Low74 Ų74106 Ų10645%0.45455%0.547SS..Hα-helixtrans-59.2-43.4173.6-55.10000112.4D732 L734 C738 K739 I740D732-T736 PolarHBondContact O-N 3.02Å; D732-T736 PolarHBondContact O-OG1 3.16Å; L734-T736 VanDerWaalsContact C-N 3.29Å; L734-T736 PolarHBondContact O-N 3.11Å; T736-C738 VanDerWaalsContact C-N 3.34Å; T736-C738 PolarHBondContact O-N 3.43Å; T736-K739 PolarHBondContact O-N 3.42Å; T736-I740 HydrophobicContact CG2-CD1 4.2Å; T736-I740 WeakPolarHBondContact O-CG1 3.35Å; T736-I740 PolarHBondContact O-N 2.89Å
737L58.5Low59.6Low110 Ų110108.2 Ų108.258%0.57655%0.549SS*.Hα-helixtrans-67.9-32.3176.7-77168.1000112.8R733 L734 L735 G741R733-L737 PolarHBondContact O-N 3.39Å; L734-L737 PolarHBondContact O-N 2.88Å; L734-L737 VanDerWaalsContact O-N 3.17Å; L735-L737 PolarHBondContact O-N 3.36Å; L737-G741 PolarHBondContact O-N 3.38Å; L737-G741 VanDerWaalsContact O-N 3.14Å
738C58.4Low59Low78 Ų78108.7 Ų108.753%0.52756%0.558SS.*Hα-helixtrans-66-44.2172.5-79.20000112.3L734 L735 T736 I740 G741 C742L734-C738 PolarHBondContact O-N 3.43Å; L735-C738 WeakPolarHBondContact O-CB 3.28Å; L735-C738 PolarHBondContact O-N 3.33Å; T736-C738 VanDerWaalsContact C-N 3.34Å; T736-C738 PolarHBondContact O-N 3.43Å; C738-I740 PolarHBondContact O-N 2.67Å; C738-G741 PolarHBondContact O-N 2.91Å; C738-G741 VanDerWaalsContact O-N 3.15Å; C738-C742 PolarHBondContact O-N 3.43Å; C738-C742 PolarHBondContact O-SG 2.88Å; C738-C742 VanDerWaalsContact O-SG 3.39Å
739K61.5Low57.5Low142 Ų142106.9 Ų106.962%0.61755%0.551SS**Hα-helixtrans-55.4-53.2175.6-84.3-164.2169.5-167.30112.1L735 T736 G741 C742 E743L735-K739 PolarHBondContact O-N 2.9Å; L735-K739 VanDerWaalsContact O-N 3.08Å; T736-K739 PolarHBondContact O-N 3.42Å; K739-G741 PolarHBondContact O-N 2.74Å; K739-C742 PolarHBondContact O-N 3.5Å; K739-E743 WeakPolarHBondContact O-CG 3.46Å; K739-E743 PolarHBondContact O-N 2.98Å
740I66.5Low56Low80 Ų80108.9 Ų108.941%0.4156%0.557SS.*Hα-helixtrans-60.6-28.8179.3-62.5166.3000112T736 C738T736-I740 HydrophobicContact CG2-CD1 4.2Å; T736-I740 WeakPolarHBondContact O-CG1 3.35Å; T736-I740 PolarHBondContact O-N 2.89Å; C738-I740 PolarHBondContact O-N 2.67Å
741G52Low55.3Low41 Ų41108.2 Ų108.242%0.42356%0.563SS.*Hα-helixtrans-70.6-46.1172.800000113.1L737 C738 K739 L745L737-G741 PolarHBondContact O-N 3.38Å; L737-G741 VanDerWaalsContact O-N 3.14Å; C738-G741 PolarHBondContact O-N 2.91Å; C738-G741 VanDerWaalsContact O-N 3.15Å; K739-G741 PolarHBondContact O-N 2.74Å; G741-L745 PolarHBondContact O-N 2.89Å
742C50.1Low54.4Low75 Ų75108.8 Ų108.851%0.50758%0.575SS.*Hα-helixtrans-68.1-45.7-179.4-66.80000112.6C738 K739 K744 L745 I746C738-C742 PolarHBondContact O-N 3.43Å; C738-C742 PolarHBondContact O-SG 2.88Å; C738-C742 VanDerWaalsContact O-SG 3.39Å; K739-C742 PolarHBondContact O-N 3.5Å; C742-K744 PolarHBondContact O-N 3.27Å; C742-L745 WeakPolarHBondContact O-CB 3.32Å; C742-L745 PolarHBondContact O-N 3.37Å; C742-I746 WeakPolarHBondContact O-CG1 3.42Å; C742-I746 PolarHBondContact O-N 3.49Å
743E48.2Very low53.6Low111 Ų111111.5 Ų111.552%0.51958%0.578SS.*Hα-helixtrans-55-38.3179.7-72.3160.3-163.200112.4K739K739-E743 WeakPolarHBondContact O-CG 3.46Å; K739-E743 PolarHBondContact O-N 2.98Å
744K56.3Low52.6Low164 Ų164107.9 Ų107.971%0.71357%0.572SS**Hα-helixtrans-75.2-20.6177.1-74-176.1176.9179.10114.5C742C742-K744 PolarHBondContact O-N 3.27Å
745L46.1Very low51.9Low94 Ų94110.8 Ų110.849%0.49259%0.588SS.*Hα-helixtrans-82.8-39.9176-135.475.2000111G741 C742 S748 V757G741-L745 PolarHBondContact O-N 2.89Å; C742-L745 WeakPolarHBondContact O-CB 3.32Å; C742-L745 PolarHBondContact O-N 3.37Å; L745-S748 PolarHBondContact O-OG 3.22Å; L745-V757 HydrophobicContact CD2-CG1 4.41Å
746I55.2Low51Low131 Ų131109.2 Ų109.267%0.67258%0.577SS**Hα-helixtrans-62.8-45.1-177.3-67.3163.7000111.5C742 S748C742-I746 WeakPolarHBondContact O-CG1 3.42Å; C742-I746 PolarHBondContact O-N 3.49Å; I746-S748 PolarHBondContact O-N 2.81Å
747R52.6Low50.1Low199 Ų199107.8 Ų107.875%0.75157%0.568SS**THydrogen-bonded Turntrans-67.810.2-177.9-84-170.4173.1167.64.5116.8
748S45.8Very low49.6Very low84 Ų84109 Ų10959%0.58758%0.575SS**THydrogen-bonded Turntrans-126.5-0.6-168.670.30000116.8L745 I746L745-S748 PolarHBondContact O-OG 3.22Å; I746-S748 PolarHBondContact O-N 2.81Å
749T34.7Very low49.5Very low67 Ų67108.9 Ų108.941%0.41157%0.572SS.*  trans-143.5123.4-166.9-31.50000114R753T749-R753 HydrophobicContact CG2-CB 3.98Å
750D38.2Very low49.1Very low130 Ų130107.4 Ų107.470%0.69557%0.571SS**  trans-55.3140.4169.6-66.1-67.5000112.1S752 R753D750-S752 PolarHBondContact O-N 2.89Å; D750-R753 PolarHBondContact O-N 3.37Å; D750-R753 VanDerWaalsContact O-N 3.1Å
751T43.7Very low48.7Very low124 Ų124107.9 Ų107.976%0.76157%0.573SS**G310 helixtrans-58.1-18.3-174.948.10000114.6R753T751-R753 PolarHBondContact O-N 3.47Å
752S46.6Very low49Very low106 Ų106112.7 Ų112.774%0.74159%0.585SS**G310 helixtrans-67.4-12.4175.662.60000115D750D750-S752 PolarHBondContact O-N 2.89Å
753R46.9Very low49.4Very low161 Ų161114.9 Ų114.961%0.60859%0.591SS**G310 helixtrans-106-0.2-176-59.7-167.268.9-164.1-3.6115.7T749 D750 T751 N755 Q756T749-R753 HydrophobicContact CG2-CB 3.98Å; D750-R753 PolarHBondContact O-N 3.37Å; D750-R753 VanDerWaalsContact O-N 3.1Å; T751-R753 PolarHBondContact O-N 3.47Å; R753-N755 VanDerWaalsContact C-N 3.29Å; R753-N755 PolarHBondContact O-N 3Å; R753-N755 VanDerWaalsContact O-N 3.15Å; R753-Q756 PolarHBondContact O-N 3.45Å; R753-Q756 VanDerWaalsContact O-N 3.08Å
754L46.9Very low49.9Very low111 Ų111112.3 Ų112.358%0.58159%0.585SS**G310 helixtrans-50.7-41.4-174-89.6159.9000114.3Q756 V757L754-Q756 PolarHBondContact O-N 2.85Å; L754-V757 PolarHBondContact O-N 3.31Å
755N45.4Very low50.6Low133 Ų133110 Ų11071%0.71158%0.577SS**G310 helixtrans-62.8-6.7-178.5-68.7-2.6000115.2R753R753-N755 VanDerWaalsContact C-N 3.29Å; R753-N755 PolarHBondContact O-N 3Å; R753-N755 VanDerWaalsContact O-N 3.15Å
756Q50.6Low51.5Low79 Ų79111.4 Ų111.437%0.36959%0.585SS.*G310 helixtrans-98-18.6175.8-167.956.18300113.3R753 L754R753-Q756 PolarHBondContact O-N 3.45Å; R753-Q756 VanDerWaalsContact O-N 3.08Å; L754-Q756 PolarHBondContact O-N 2.85Å
757V48.4Very low52.3Low44 Ų44108.4 Ų108.427%0.26757%0.572SS.*Hα-helixtrans-75.1-34.7-165.1-178.70000113.3L745 L754 V759 D760 I761L745-V757 HydrophobicContact CD2-CG1 4.41Å; L754-V757 PolarHBondContact O-N 3.31Å; V757-V759 PolarHBondContact O-N 2.86Å; V757-V759 VanDerWaalsContact O-N 3.09Å; V757-D760 PolarHBondContact O-N 3.32Å; V757-D760 VanDerWaalsContact O-N 3.09Å; V757-I761 HydrophobicContact CG1-CD1 3.98Å; V757-I761 HydrophobicContact CG1-CG1 4.37Å; V757-I761 PolarHBondContact O-N 2.96Å
758D48.1Very low53.5Low135 Ų135104 Ų10472%0.72256%0.555SS**Hα-helixtrans-53.4-32.7176.7-86.5-24.5000113.3E762D758-E762 PolarHBondContact O-N 3.44Å
759V55.8Low54.9Low76 Ų76103.3 Ų103.346%0.46155%0.545SS..Hα-helixtrans-73.3-32.6-176.8-176.50000111.9V757 N763V757-V759 PolarHBondContact O-N 2.86Å; V757-V759 VanDerWaalsContact O-N 3.09Å; V759-N763 PolarHBondContact O-ND2 3.02Å
760D53.8Low56.4Low111 Ų111102.9 Ų102.959%0.59454%0.54SS*.Hα-helixtrans-84.9-25.7-177.6-68.5-29.3000111.8V757 N763V757-D760 PolarHBondContact O-N 3.32Å; V757-D760 VanDerWaalsContact O-N 3.09Å; D760-N763 PolarHBondContact O-N 3.48Å
761I56.4Low58.2Low89 Ų89105.4 Ų105.446%0.45654%0.54SS..Hα-helixtrans-69.7-42173.3-62.2175.2000111.7V757 N763 C764V757-I761 HydrophobicContact CG1-CD1 3.98Å; V757-I761 HydrophobicContact CG1-CG1 4.37Å; V757-I761 PolarHBondContact O-N 2.96Å; I761-N763 PolarHBondContact O-N 2.91Å; I761-N763 VanDerWaalsContact O-N 3.14Å; I761-C764 PolarHBondContact O-N 3.23Å
762E58.2Low59.8Low142 Ų142104.3 Ų104.366%0.66453%0.526SS*.THydrogen-bonded Turntrans-63.3-19.6176.6-152.1-164.6-170.100112.2D758 K2079D758-E762 PolarHBondContact O-N 3.44Å; E762-K2079 IonicContact OE1-NZ 2.76Å; E762-K2079 PolarHBondContact OE1-NZ 2.82Å; E762-K2079 IonicContact OE2-NZ 3.15Å; E762-K2079 PolarHBondContact OE2-NZ 2.68Å; E762-K2079 VanDerWaalsContact OE2-NZ 3.13Å
763N59Low61.2Low121 Ų121105.8 Ų105.865%0.64752%0.521SS*.THydrogen-bonded Turntrans-96.5-0.6-177.8-77.4-62.5000115.1V759 D760 I761 E765V759-N763 PolarHBondContact O-ND2 3.02Å; D760-N763 PolarHBondContact O-N 3.48Å; I761-N763 PolarHBondContact O-N 2.91Å; I761-N763 VanDerWaalsContact O-N 3.14Å; N763-E765 PolarHBondContact O-N 3.18Å
764C58.5Low62.4Low58 Ų58104.4 Ų104.439%0.39253%0.525SS..  trans-66.9116.5-175.7-174.80000112.8I761 L766 V767 R768I761-C764 PolarHBondContact O-N 3.23Å; C764-L766 PolarHBondContact O-N 3.38Å; C764-L766 VanDerWaalsContact O-N 3.11Å; C764-V767 HydrophobicContact CB-CB 4.34Å; C764-V767 HydrophobicContact CB-CG2 3.92Å; C764-V767 WeakPolarHBondContact O-CB 3.47Å; C764-V767 PolarHBondContact O-N 3.39Å; C764-R768 PolarHBondContact O-N 2.86Å; C764-R768 VanDerWaalsContact O-N 3.1Å
765E71.6Confident63.8Low116 Ų116104.8 Ų104.854%0.54253%0.527SS..Hα-helixtrans-54-32.3-179.3-168.475.2-106.600113N763 R768 N769N763-E765 PolarHBondContact O-N 3.18Å; E765-R768 PolarHBondContact O-N 2.9Å; E765-R768 IonicContact OE1-CZ 3.88Å; E765-R768 IonicContact OE1-NE 2.69Å; E765-R768 PolarHBondContact OE1-NE 2.86Å; E765-R768 IonicContact OE1-NH2 3.69Å; E765-R768 PolarHBondContact OE1-NH2 3.22Å; E765-N769 PolarHBondContact O-N 2.94Å; E765-N769 PolarHBondContact O-ND2 3.2Å
766L65Low65.3Low123 Ų123102.3 Ų102.364%0.64452%0.517SS*.Hα-helixtrans-65.4-44.4176-166.573.9000111.6C764 R768 N769 L770C764-L766 PolarHBondContact O-N 3.38Å; C764-L766 VanDerWaalsContact O-N 3.11Å; L766-R768 VanDerWaalsContact C-N 3.32Å; L766-R768 PolarHBondContact O-N 2.85Å; L766-N769 PolarHBondContact O-N 3.49Å; L766-L770 WeakPolarHBondContact O-CB 3.41Å; L766-L770 PolarHBondContact O-N 2.8Å
767V71.4Confident66.1Low67 Ų67101 Ų10141%0.40652%0.519SS..Hα-helixtrans-66.6-35.7177.2-179.60000110.6C764 L770 R771C764-V767 HydrophobicContact CB-CB 4.34Å; C764-V767 HydrophobicContact CB-CG2 3.92Å; C764-V767 WeakPolarHBondContact O-CB 3.47Å; C764-V767 PolarHBondContact O-N 3.39Å; V767-L770 PolarHBondContact O-N 3.44Å; V767-R771 PolarHBondContact O-N 2.93Å
768R77.7Confident67.3Low107 Ų107105.1 Ų105.140%0.40454%0.535SS..Hα-helixtrans-62.7-48.4173.9-164.2-169.763.761.114111.8C764 E765 L766 R771 E772C764-R768 PolarHBondContact O-N 2.86Å; C764-R768 VanDerWaalsContact O-N 3.1Å; E765-R768 PolarHBondContact O-N 2.9Å; E765-R768 IonicContact OE1-CZ 3.88Å; E765-R768 IonicContact OE1-NE 2.69Å; E765-R768 PolarHBondContact OE1-NE 2.86Å; E765-R768 IonicContact OE1-NH2 3.69Å; E765-R768 PolarHBondContact OE1-NH2 3.22Å; L766-R768 VanDerWaalsContact C-N 3.32Å; L766-R768 PolarHBondContact O-N 2.85Å; R768-R771 PolarHBondContact O-N 2.6Å; R768-E772 IonicContact CZ-OE1 3.39Å; R768-E772 IonicContact CZ-OE2 2.67Å; R768-E772 IonicContact NH1-OE1 2.68Å; R768-E772 PolarHBondContact NH1-OE1 3.32Å; R768-E772 IonicContact NH1-OE2 2.64Å; R768-E772 PolarHBondContact NH1-OE2 3.45Å; R768-E772 PolarHBondContact O-N 3.3Å; R768-E772 VanDerWaalsContact O-N 3.11Å
769N75.3Confident68.7Low70 Ų70105.1 Ų105.137%0.37453%0.531SS..Hα-helixtrans-64.4-39.9176.8-76-42.4000112.3E765 L766 E772 Q773E765-N769 PolarHBondContact O-N 2.94Å; E765-N769 PolarHBondContact O-ND2 3.2Å; L766-N769 PolarHBondContact O-N 3.49Å; N769-E772 PolarHBondContact O-N 3Å; N769-Q773 PolarHBondContact O-N 3.42Å
770L66.4Low69.5Low57 Ų57106.2 Ų106.230%0.29853%0.534SS..Hα-helixtrans-61-42.9174.7-98.5161.5000112.2L734 L766 V767 E772 Q773 L774L734-L770 HydrophobicContact CD1-CD2 3.86Å; L734-L770 HydrophobicContact CD2-CD1 4.4Å; L734-L770 HydrophobicContact CD2-CD2 3.83Å; L734-L770 HydrophobicContact CG-CD2 4.49Å; L766-L770 WeakPolarHBondContact O-CB 3.41Å; L766-L770 PolarHBondContact O-N 2.8Å; V767-L770 PolarHBondContact O-N 3.44Å; L770-E772 VanDerWaalsContact C-N 3.34Å; L770-E772 PolarHBondContact O-N 2.83Å; L770-Q773 PolarHBondContact O-N 2.86Å; L770-L774 WeakPolarHBondContact O-CB 3.08Å; L770-L774 PolarHBondContact O-N 2.73Å
771R75.8Confident70.2Confident184 Ų184104.3 Ų104.369%0.69452%0.523SS*.Hα-helixtrans-60.4-40.5173-81.5-172.7169.2-164.2-0.7112.5V767 R768 L775V767-R771 PolarHBondContact O-N 2.93Å; R768-R771 PolarHBondContact O-N 2.6Å; R771-L775 WeakPolarHBondContact O-CB 3.15Å; R771-L775 PolarHBondContact O-N 2.76Å
772E77.9Confident70.9Confident101 Ų101103.4 Ų103.447%0.47252%0.522SS..Hα-helixtrans-69.4-36.8178.6-75.9175.3-175.400112.8R768 N769 L770 T776R768-E772 IonicContact CZ-OE1 3.39Å; R768-E772 IonicContact CZ-OE2 2.67Å; R768-E772 IonicContact NH1-OE1 2.68Å; R768-E772 PolarHBondContact NH1-OE1 3.32Å; R768-E772 IonicContact NH1-OE2 2.64Å; R768-E772 PolarHBondContact NH1-OE2 3.45Å; R768-E772 PolarHBondContact O-N 3.3Å; R768-E772 VanDerWaalsContact O-N 3.11Å; N769-E772 PolarHBondContact O-N 3Å; L770-E772 VanDerWaalsContact C-N 3.34Å; L770-E772 PolarHBondContact O-N 2.83Å; E772-T776 WeakPolarHBondContact O-CB 3.38Å; E772-T776 PolarHBondContact O-N 3.38Å; E772-T776 VanDerWaalsContact O-N 3.11Å; E772-T776 PolarHBondContact O-OG1 2.84Å
773Q75.7Confident71.7Confident136 Ų136104 Ų10464%0.63653%0.525SS*.Hα-helixtrans-66.2-46.8172.7-71.8-177.4-6.400111.9N769 L770 L775 T776 A777N769-Q773 PolarHBondContact O-N 3.42Å; L770-Q773 PolarHBondContact O-N 2.86Å; Q773-L775 VanDerWaalsContact C-N 3.33Å; Q773-L775 PolarHBondContact O-N 3.3Å; Q773-T776 WeakPolarHBondContact O-CB 3.48Å; Q773-T776 PolarHBondContact O-N 2.66Å; Q773-T776 VanDerWaalsContact O-N 3.14Å; Q773-A777 PolarHBondContact O-N 3.37Å
774L71.4Confident72.5Confident132 Ų132106.9 Ų106.969%0.69153%0.532SS*.Hα-helixtrans-61.9-40.7178.7-159.278.8000111.8L770 T776 A777 H778L770-L774 WeakPolarHBondContact O-CB 3.08Å; L770-L774 PolarHBondContact O-N 2.73Å; L774-T776 VanDerWaalsContact C-N 3.32Å; L774-T776 PolarHBondContact O-N 2.63Å; L774-A777 PolarHBondContact O-N 2.79Å; L774-H778 WeakPolarHBondContact O-CB 3.43Å; L774-H778 PolarHBondContact O-N 2.94Å
775L77.7Confident73Confident120 Ų120106.4 Ų106.463%0.62853%0.525SS*.Hα-helixtrans-62.7-39.9175.5-154.682.7000111.7R771 Q773 H778 Q779R771-L775 WeakPolarHBondContact O-CB 3.15Å; R771-L775 PolarHBondContact O-N 2.76Å; Q773-L775 VanDerWaalsContact C-N 3.33Å; Q773-L775 PolarHBondContact O-N 3.3Å; L775-H778 PolarHBondContact O-N 2.81Å; L775-Q779 WeakPolarHBondContact O-CB 3.42Å; L775-Q779 PolarHBondContact O-N 2.88Å
776T77.2Confident73.3Confident81 Ų81104.2 Ų104.250%0.49752%0.521SS..Hα-helixtrans-67-42178.3-56.10000111.6E772 Q773 L774 Q779 L780E772-T776 WeakPolarHBondContact O-CB 3.38Å; E772-T776 PolarHBondContact O-N 3.38Å; E772-T776 VanDerWaalsContact O-N 3.11Å; E772-T776 PolarHBondContact O-OG1 2.84Å; Q773-T776 WeakPolarHBondContact O-CB 3.48Å; Q773-T776 PolarHBondContact O-N 2.66Å; Q773-T776 VanDerWaalsContact O-N 3.14Å; L774-T776 VanDerWaalsContact C-N 3.32Å; L774-T776 PolarHBondContact O-N 2.63Å; T776-Q779 PolarHBondContact O-N 3.03Å; T776-L780 PolarHBondContact O-N 3.36Å; T776-L780 VanDerWaalsContact O-N 3.07Å
777A67.2Low74Confident50 Ų50103 Ų10341%0.41352%0.518SS..Hα-helixtrans-62.4-46.717500000111.8Q773 L774 Q779 L780 L781Q773-A777 PolarHBondContact O-N 3.37Å; L774-A777 PolarHBondContact O-N 2.79Å; A777-Q779 VanDerWaalsContact C-N 3.27Å; A777-Q779 PolarHBondContact O-N 3.4Å; A777-L780 PolarHBondContact O-N 2.84Å; A777-L781 PolarHBondContact O-N 3.35Å
778H73Confident74.1Confident131 Ų131106.4 Ų106.461%0.60653%0.53SS*.Hα-helixtrans-57.7-40.2175-173.8-65.2000111.8L774 L775 L781 T782L774-H778 WeakPolarHBondContact O-CB 3.43Å; L774-H778 PolarHBondContact O-N 2.94Å; L775-H778 PolarHBondContact O-N 2.81Å; H778-L781 PolarHBondContact O-N 3.42Å; H778-T782 PolarHBondContact ND1-OG1 2.88Å; H778-T782 WeakPolarHBondContact O-CB 3.09Å; H778-T782 PolarHBondContact O-N 2.81Å; H778-T782 PolarHBondContact O-OG1 2.7Å
779Q77.2Confident74Confident135 Ų135103.1 Ų103.163%0.63152%0.522SS*.Hα-helixtrans-69.9-37-179.1-160.2157.819.900112.4L775 T776 A777 T782 E783L775-Q779 WeakPolarHBondContact O-CB 3.42Å; L775-Q779 PolarHBondContact O-N 2.88Å; T776-Q779 PolarHBondContact O-N 3.03Å; A777-Q779 VanDerWaalsContact C-N 3.27Å; A777-Q779 PolarHBondContact O-N 3.4Å; Q779-T782 PolarHBondContact O-N 2.9Å; Q779-E783 PolarHBondContact O-N 3.35Å; Q779-E783 VanDerWaalsContact O-N 3.08Å
780L73.1Confident74.1Confident100 Ų100103.3 Ų103.352%0.52452%0.519SS..Hα-helixtrans-66.9-40.9172.9-80.3165.2000113.1T776 A777 E783 K784T776-L780 PolarHBondContact O-N 3.36Å; T776-L780 VanDerWaalsContact O-N 3.07Å; A777-L780 PolarHBondContact O-N 2.84Å; L780-E783 PolarHBondContact O-N 2.9Å; L780-K784 PolarHBondContact O-N 3.39Å
781L68.7Low74.8Confident71 Ų71104.9 Ų104.937%0.37253%0.527SS..Hα-helixtrans-59.2-47.8171.6-89.7157.2000111.2I723 A777 H778 E783 K784 L785I723-L781 HydrophobicContact CG2-CD2 4.11Å; A777-L781 PolarHBondContact O-N 3.35Å; H778-L781 PolarHBondContact O-N 3.42Å; L781-E783 VanDerWaalsContact C-N 3.27Å; L781-E783 PolarHBondContact O-N 3.31Å; L781-K784 PolarHBondContact O-N 2.86Å; L781-L785 PolarHBondContact O-N 3.37Å
782T71.7Confident74.8Confident69 Ų6997.2 Ų97.242%0.42350%0.502SS..Hα-helixtrans-59.2-37.1178.8-54.70000111.9H778 Q779 K790H778-T782 PolarHBondContact ND1-OG1 2.88Å; H778-T782 WeakPolarHBondContact O-CB 3.09Å; H778-T782 PolarHBondContact O-N 2.81Å; H778-T782 PolarHBondContact O-OG1 2.7Å; Q779-T782 PolarHBondContact O-N 2.9Å; T782-K790 WeakPolarHBondContact O-CE 3.31Å; T782-K790 PolarHBondContact O-NZ 3.37Å
783E74.6Confident74.7Confident155 Ų15595.9 Ų95.972%0.72450%0.498SS*.Hα-helixtrans-72.9-41.5-179.1-162.5165.7-129.600112.4Q779 L780 L781 K790Q779-E783 PolarHBondContact O-N 3.35Å; Q779-E783 VanDerWaalsContact O-N 3.08Å; L780-E783 PolarHBondContact O-N 2.9Å; L781-E783 VanDerWaalsContact C-N 3.27Å; L781-E783 PolarHBondContact O-N 3.31Å; E783-K790 PolarHBondContact O-NZ 3.25Å
784K74.8Confident74.9Confident182 Ų18294.4 Ų94.479%0.79149%0.494SS*.Hα-helixtrans-82.8-17.2-170.6-76.1-167.7173.7-175.50117.5L780 L781L780-K784 PolarHBondContact O-N 3.39Å; L781-K784 PolarHBondContact O-N 2.86Å
785L69.1Low75.4Confident47 Ų4793.6 Ų93.625%0.24649%0.487CS..SBendtrans-61.4136.1177.5-81.3153.4000112.1L781 T789 K790 L793L781-L785 PolarHBondContact O-N 3.37Å; L785-T789 HydrophobicContact CD2-CG2 3.68Å; L785-K790 HydrophobicContact CB-CD 4.41Å; L785-K790 HydrophobicContact CB-CG 4.02Å; L785-K790 WeakPolarHBondContact O-CD 3.45Å; L785-K790 VanDerWaalsContact O-CE 3.3Å; L785-K790 WeakPolarHBondContact O-CE 3.43Å; L785-K790 PolarHBondContact O-NZ 3.49Å; L785-L793 HydrophobicContact CD1-CD1 3.61Å; L785-L793 HydrophobicContact CD2-CD1 4.07Å; L785-L793 HydrophobicContact CG-CD1 4.4Å
786P79.2Confident75.4Confident71 Ų7189.5 Ų89.546%0.46147%0.467SS..  trans-56.6162.5173.8-25.634.1000113.6E788 T789 K790P786-E788 VanDerWaalsContact C-N 3.34Å; P786-T789 WeakPolarHBondContact CD-OG1 3.44Å; P786-T789 PolarHBondContact O-N 3.05Å; P786-K790 WeakPolarHBondContact O-CB 3.26Å; P786-K790 WeakPolarHBondContact O-CG 3.37Å; P786-K790 PolarHBondContact O-N 3.04Å
787V78.2Confident75.6Confident96 Ų9689.1 Ų89.158%0.58247%0.468SS*.Hα-helixtrans-69.1-38.2-179.2179.20000110.7K790 I791V787-K790 WeakPolarHBondContact O-CB 3.38Å; V787-K790 PolarHBondContact O-N 3.47Å; V787-I791 HydrophobicContact CG1-CD1 4.2Å; V787-I791 WeakPolarHBondContact O-CG1 3.42Å; V787-I791 PolarHBondContact O-N 3.11Å
788E74Confident76.3Confident140 Ų14092.5 Ų92.565%0.65448%0.475SS*.Hα-helixtrans-61.9-49.8174.8-63.569.3-156.900110.2P786 K790 I791 A792P786-E788 VanDerWaalsContact C-N 3.34Å; E788-K790 VanDerWaalsContact C-N 3.27Å; E788-K790 PolarHBondContact O-N 2.92Å; E788-I791 PolarHBondContact O-N 3.44Å; E788-I791 VanDerWaalsContact O-N 3.09Å; E788-A792 PolarHBondContact O-N 3.47Å
789T75.7Confident76.7Confident38 Ų3888.6 Ų88.623%0.23346%0.458CS..Hα-helixtrans-65.5-29.1175.6-37.60000112.3L785 P786 L793L785-T789 HydrophobicContact CD2-CG2 3.68Å; P786-T789 WeakPolarHBondContact CD-OG1 3.44Å; P786-T789 PolarHBondContact O-N 3.05Å; T789-L793 VanDerWaalsContact O-CB 3.23Å; T789-L793 WeakPolarHBondContact O-CB 3.47Å; T789-L793 WeakPolarHBondContact O-CG 3.23Å; T789-L793 PolarHBondContact O-N 2.85Å
790K77.5Confident77Confident73 Ų7385.6 Ų85.632%0.31745%0.449SS..Hα-helixtrans-71-34171.4-82.6165.2170.4143.60112.8T782 E783 L785 P786 V787 E788 L794T782-K790 WeakPolarHBondContact O-CE 3.31Å; T782-K790 PolarHBondContact O-NZ 3.37Å; E783-K790 PolarHBondContact O-NZ 3.25Å; L785-K790 HydrophobicContact CB-CD 4.41Å; L785-K790 HydrophobicContact CB-CG 4.02Å; L785-K790 WeakPolarHBondContact O-CD 3.45Å; L785-K790 VanDerWaalsContact O-CE 3.3Å; L785-K790 WeakPolarHBondContact O-CE 3.43Å; L785-K790 PolarHBondContact O-NZ 3.49Å; P786-K790 WeakPolarHBondContact O-CB 3.26Å; P786-K790 WeakPolarHBondContact O-CG 3.37Å; P786-K790 PolarHBondContact O-N 3.04Å; V787-K790 WeakPolarHBondContact O-CB 3.38Å; V787-K790 PolarHBondContact O-N 3.47Å; E788-K790 VanDerWaalsContact C-N 3.27Å; E788-K790 PolarHBondContact O-N 2.92Å; K790-L794 WeakPolarHBondContact O-CB 3.18Å; K790-L794 PolarHBondContact O-N 2.89Å; K790-L794 VanDerWaalsContact O-N 3.09Å
791I80.7Confident77.3Confident91 Ų9184.6 Ų84.647%0.46744%0.441SS..Hα-helixtrans-71.2-46.4172.7-68.9165000109.4V787 E788 L793 L794 E795V787-I791 HydrophobicContact CG1-CD1 4.2Å; V787-I791 WeakPolarHBondContact O-CG1 3.42Å; V787-I791 PolarHBondContact O-N 3.11Å; E788-I791 PolarHBondContact O-N 3.44Å; E788-I791 VanDerWaalsContact O-N 3.09Å; I791-L793 VanDerWaalsContact C-N 3.33Å; I791-L793 PolarHBondContact O-N 3.42Å; I791-L794 CarbonylContact O-C 3.4Å; I791-L794 WeakPolarHBondContact O-CA 3.1Å; I791-L794 PolarHBondContact O-N 3.44Å; I791-E795 HydrophobicContact CG2-CG 4.36Å; I791-E795 PolarHBondContact O-N 2.86Å
792A75.8Confident78.1Confident22 Ų2285.3 Ų85.318%0.18245%0.449CS..Hα-helixtrans-57.7-42.7173.800000112E788 L794 E795 T796E788-A792 PolarHBondContact O-N 3.47Å; A792-L794 VanDerWaalsContact C-N 3.28Å; A792-L794 PolarHBondContact O-N 3.38Å; A792-E795 PolarHBondContact O-N 3.41Å; A792-T796 WeakPolarHBondContact O-CB 3.31Å; A792-T796 WeakPolarHBondContact O-CG2 3.47Å; A792-T796 PolarHBondContact O-N 2.92Å; A792-T796 PolarHBondContact O-OG1 3.37Å
793L76Confident78.6Confident73 Ų7386.3 Ų86.338%0.38245%0.449SS..Hα-helixtrans-64.6-26.6172.1-86.6164000113.8L785 T789 I791 T796 S797L785-L793 HydrophobicContact CD1-CD1 3.61Å; L785-L793 HydrophobicContact CD2-CD1 4.07Å; L785-L793 HydrophobicContact CG-CD1 4.4Å; T789-L793 VanDerWaalsContact O-CB 3.23Å; T789-L793 WeakPolarHBondContact O-CB 3.47Å; T789-L793 WeakPolarHBondContact O-CG 3.23Å; T789-L793 PolarHBondContact O-N 2.85Å; I791-L793 VanDerWaalsContact C-N 3.33Å; I791-L793 PolarHBondContact O-N 3.42Å; L793-T796 WeakPolarHBondContact CA-OG1 3.47Å; L793-T796 PolarHBondContact O-OG1 3.14Å; L793-S797 WeakPolarHBondContact O-CA 3.27Å; L793-S797 WeakPolarHBondContact O-CB 3.46Å; L793-S797 PolarHBondContact O-N 3.38Å
794L81.1Confident79.1Confident106 Ų10685.8 Ų85.856%0.55544%0.44SS*.Hα-helixtrans-87-33.3179.4-147.1159.8000111.3K790 I791 A792 Q798K790-L794 WeakPolarHBondContact O-CB 3.18Å; K790-L794 PolarHBondContact O-N 2.89Å; K790-L794 VanDerWaalsContact O-N 3.09Å; I791-L794 CarbonylContact O-C 3.4Å; I791-L794 WeakPolarHBondContact O-CA 3.1Å; I791-L794 PolarHBondContact O-N 3.44Å; A792-L794 VanDerWaalsContact C-N 3.28Å; A792-L794 PolarHBondContact O-N 3.38Å; L794-Q798 HydrophobicContact CD2-CG 4.49Å; L794-Q798 WeakPolarHBondContact O-CB 3.24Å; L794-Q798 WeakPolarHBondContact O-CG 3.28Å; L794-Q798 PolarHBondContact O-N 2.84Å
795E80.8Confident79.7Confident115 Ų11582 Ų8254%0.53743%0.427SS..Hα-helixtrans-73.1-45.3171.5-69.2-178.1171.600111I791 A792 Q798 I799I791-E795 HydrophobicContact CG2-CG 4.36Å; I791-E795 PolarHBondContact O-N 2.86Å; A792-E795 PolarHBondContact O-N 3.41Å; E795-Q798 PolarHBondContact O-N 2.82Å; E795-Q798 VanDerWaalsContact O-N 3.13Å; E795-I799 WeakPolarHBondContact O-CG1 3.39Å; E795-I799 PolarHBondContact O-N 3.11Å
796T78.3Confident80.4Confident33 Ų3386.7 Ų86.720%0.20245%0.448CS..Hα-helixtrans-65-37.6170.354.30000112F713 A792 L793 Q798 I799 V800F713-T796 HydrophobicContact CE1-CG2 4.14Å; F713-T796 HydrophobicContact CE2-CG2 4.09Å; F713-T796 HydrophobicContact CZ-CG2 3.74Å; A792-T796 WeakPolarHBondContact O-CB 3.31Å; A792-T796 WeakPolarHBondContact O-CG2 3.47Å; A792-T796 PolarHBondContact O-N 2.92Å; A792-T796 PolarHBondContact O-OG1 3.37Å; L793-T796 WeakPolarHBondContact CA-OG1 3.47Å; L793-T796 PolarHBondContact O-OG1 3.14Å; T796-Q798 VanDerWaalsContact C-N 3.27Å; T796-Q798 PolarHBondContact O-N 2.73Å; T796-I799 PolarHBondContact O-N 2.95Å; T796-V800 WeakPolarHBondContact O-CB 3.49Å; T796-V800 VanDerWaalsContact O-CG2 3.29Å; T796-V800 WeakPolarHBondContact O-CG2 3.36Å; T796-V800 PolarHBondContact O-N 3.29Å
797S80.3Confident80.7Confident74 Ų7489 Ų8952%0.51746%0.456SS..Hα-helixtrans-65.7-27.5171.3177.60000113L793 E801L793-S797 WeakPolarHBondContact O-CA 3.27Å; L793-S797 WeakPolarHBondContact O-CB 3.46Å; L793-S797 PolarHBondContact O-N 3.38Å; S797-E801 WeakPolarHBondContact O-CB 3.43Å; S797-E801 PolarHBondContact O-N 3.23Å
798Q82.9Confident81.1Confident120 Ų12088.4 Ų88.456%0.56145%0.447SS*.Hα-helixtrans-74.9-41.3171.1-80.6177.83900111.4L794 E795 T796 E801 T802L794-Q798 HydrophobicContact CD2-CG 4.49Å; L794-Q798 WeakPolarHBondContact O-CB 3.24Å; L794-Q798 WeakPolarHBondContact O-CG 3.28Å; L794-Q798 PolarHBondContact O-N 2.84Å; E795-Q798 PolarHBondContact O-N 2.82Å; E795-Q798 VanDerWaalsContact O-N 3.13Å; T796-Q798 VanDerWaalsContact C-N 3.27Å; T796-Q798 PolarHBondContact O-N 2.73Å; Q798-E801 PolarHBondContact O-N 3.34Å; Q798-T802 WeakPolarHBondContact O-CG2 3.37Å; Q798-T802 PolarHBondContact O-N 3.44Å; Q798-T802 PolarHBondContact O-OG1 3.03Å; Q798-T802 VanDerWaalsContact O-OG1 3.07Å
799I81.8Confident81.7Confident49 Ų4984.4 Ų84.425%0.25144%0.438SS..Hα-helixtrans-60-52.8174.3-68.5165000109.8E795 T796 E801 T802 E803E795-I799 WeakPolarHBondContact O-CG1 3.39Å; E795-I799 PolarHBondContact O-N 3.11Å; T796-I799 PolarHBondContact O-N 2.95Å; I799-E801 VanDerWaalsContact C-N 3.32Å; I799-E801 PolarHBondContact O-N 3.36Å; I799-T802 WeakPolarHBondContact CA-OG1 3.41Å; I799-T802 CarbonylContact O-C 3.51Å; I799-T802 WeakPolarHBondContact O-CA 3.47Å; I799-T802 PolarHBondContact O-N 3.1Å; I799-T802 PolarHBondContact O-OG1 2.89Å; I799-E803 HydrophobicContact CG2-CG 4.33Å; I799-E803 WeakPolarHBondContact O-CB 3.47Å; I799-E803 WeakPolarHBondContact O-CG 3.1Å; I799-E803 PolarHBondContact O-N 3.32Å
800V81.9Confident81.9Confident73 Ų7385.2 Ų85.244%0.44244%0.439SS..Hα-helixtrans-62-34.4177.5171.50000112.2T796 R804T796-V800 WeakPolarHBondContact O-CB 3.49Å; T796-V800 VanDerWaalsContact O-CG2 3.29Å; T796-V800 WeakPolarHBondContact O-CG2 3.36Å; T796-V800 PolarHBondContact O-N 3.29Å; V800-R804 WeakPolarHBondContact O-CB 3.32Å; V800-R804 PolarHBondContact O-N 3.17Å
801E81.4Confident82.2Confident79 Ų7986.2 Ų86.237%0.36945%0.446SS..Hα-helixtrans-73-34.5173.1-170.969.3176.300111.8S797 Q798 I799 R804 I805S797-E801 WeakPolarHBondContact O-CB 3.43Å; S797-E801 PolarHBondContact O-N 3.23Å; Q798-E801 PolarHBondContact O-N 3.34Å; I799-E801 VanDerWaalsContact C-N 3.32Å; I799-E801 PolarHBondContact O-N 3.36Å; E801-R804 IonicContact OE1-CZ 2.63Å; E801-R804 IonicContact OE1-NH1 3.45Å; E801-R804 PolarHBondContact OE1-NH1 2.72Å; E801-R804 IonicContact OE2-CZ 2.93Å; E801-R804 IonicContact OE2-NH1 2.99Å; E801-R804 PolarHBondContact OE2-NH1 2.97Å; E801-I805 HydrophobicContact CG-CD1 4.15Å; E801-I805 WeakPolarHBondContact O-CB 3.4Å; E801-I805 WeakPolarHBondContact O-CD1 3.34Å; E801-I805 WeakPolarHBondContact O-CG1 3.4Å; E801-I805 PolarHBondContact O-N 3.37Å
802T84.1Confident82.5Confident86 Ų8685.3 Ų85.353%0.52844%0.442SS..Hα-helixtrans-70.2-38.6172.150.10000112.7Q798 I799 I805 Q806Q798-T802 WeakPolarHBondContact O-CG2 3.37Å; Q798-T802 PolarHBondContact O-N 3.44Å; Q798-T802 PolarHBondContact O-OG1 3.03Å; Q798-T802 VanDerWaalsContact O-OG1 3.07Å; I799-T802 WeakPolarHBondContact CA-OG1 3.41Å; I799-T802 CarbonylContact O-C 3.51Å; I799-T802 WeakPolarHBondContact O-CA 3.47Å; I799-T802 PolarHBondContact O-N 3.1Å; I799-T802 PolarHBondContact O-OG1 2.89Å; T802-I805 PolarHBondContact O-N 2.79Å; T802-Q806 VanDerWaalsContact O-CB 3.3Å; T802-Q806 WeakPolarHBondContact O-CB 3.23Å; T802-Q806 PolarHBondContact O-N 2.9Å
803E82.7Confident83.2Confident89 Ų8989.5 Ų89.542%0.41645%0.453SS..Hα-helixtrans-66-42172.5-73.3173169.400110.2I799 I805 Q806 L807I799-E803 HydrophobicContact CG2-CG 4.33Å; I799-E803 WeakPolarHBondContact O-CB 3.47Å; I799-E803 WeakPolarHBondContact O-CG 3.1Å; I799-E803 PolarHBondContact O-N 3.32Å; E803-I805 PolarHBondContact O-N 3.41Å; E803-Q806 CarbonylContact O-C 2.97Å; E803-Q806 PolarHBondContact O-N 3.3Å; E803-L807 VanDerWaalsContact O-CB 3.24Å; E803-L807 WeakPolarHBondContact O-CB 3.49Å; E803-L807 WeakPolarHBondContact O-CG 3.25Å; E803-L807 PolarHBondContact O-N 2.84Å
804R85.7Confident83.6Confident145 Ų14593.4 Ų93.455%0.54746%0.463SS..Hα-helixtrans-62.3-39.1172.3176.8178.4156.2-114.3-20.4112.3V800 E801 Q808V800-R804 WeakPolarHBondContact O-CB 3.32Å; V800-R804 PolarHBondContact O-N 3.17Å; E801-R804 IonicContact OE1-CZ 2.63Å; E801-R804 IonicContact OE1-NH1 3.45Å; E801-R804 PolarHBondContact OE1-NH1 2.72Å; E801-R804 IonicContact OE2-CZ 2.93Å; E801-R804 IonicContact OE2-NH1 2.99Å; E801-R804 PolarHBondContact OE2-NH1 2.97Å; R804-Q808 VanDerWaalsContact O-CB 3.24Å; R804-Q808 WeakPolarHBondContact O-CB 3.35Å; R804-Q808 PolarHBondContact O-N 3.41Å
805I86.2Confident83.8Confident102 Ų10292.4 Ų92.452%0.52346%0.457SS..Hα-helixtrans-69.9-36.9174.8-72.3165.4000110.9E801 T802 E803 A809E801-I805 HydrophobicContact CG-CD1 4.15Å; E801-I805 WeakPolarHBondContact O-CB 3.4Å; E801-I805 WeakPolarHBondContact O-CD1 3.34Å; E801-I805 WeakPolarHBondContact O-CG1 3.4Å; E801-I805 PolarHBondContact O-N 3.37Å; T802-I805 PolarHBondContact O-N 2.79Å; E803-I805 PolarHBondContact O-N 3.41Å; I805-A809 VanDerWaalsContact O-CB 3.3Å; I805-A809 WeakPolarHBondContact O-CB 3.16Å; I805-A809 PolarHBondContact O-N 3.31Å
806Q85.1Confident84Confident145 Ų14589.1 Ų89.168%0.67845%0.447SS*.Hα-helixtrans-71.7-37.4176.3-175.4170.9-19.500112T802 E803 A809 E810T802-Q806 VanDerWaalsContact O-CB 3.3Å; T802-Q806 WeakPolarHBondContact O-CB 3.23Å; T802-Q806 PolarHBondContact O-N 2.9Å; E803-Q806 CarbonylContact O-C 2.97Å; E803-Q806 PolarHBondContact O-N 3.3Å; Q806-A809 PolarHBondContact O-N 2.72Å; Q806-E810 VanDerWaalsContact O-CB 3.26Å; Q806-E810 WeakPolarHBondContact O-CB 3.34Å; Q806-E810 PolarHBondContact O-N 3.27Å
807L85.3Confident84.3Confident120 Ų12091.2 Ų91.263%0.62846%0.455SS*.Hα-helixtrans-70.4-37172.6-73.3168.5000111.5E803 E810 M811E803-L807 VanDerWaalsContact O-CB 3.24Å; E803-L807 WeakPolarHBondContact O-CB 3.49Å; E803-L807 WeakPolarHBondContact O-CG 3.25Å; E803-L807 PolarHBondContact O-N 2.84Å; L807-E810 PolarHBondContact O-N 3.25Å; L807-M811 WeakPolarHBondContact O-CB 3.23Å; L807-M811 PolarHBondContact O-N 3.02Å
808Q85.6Confident84.5Confident83 Ų8394 Ų9439%0.38846%0.458SS..Hα-helixtrans-63.1-46.2169.3-17871.357.500110.2R804 E810 M811 D812R804-Q808 VanDerWaalsContact O-CB 3.24Å; R804-Q808 WeakPolarHBondContact O-CB 3.35Å; R804-Q808 PolarHBondContact O-N 3.41Å; Q808-E810 PolarHBondContact O-N 2.79Å; Q808-M811 VanDerWaalsContact NE2-CE 3.25Å; Q808-M811 CarbonylContact O-C 3.44Å; Q808-M811 PolarHBondContact O-N 2.67Å; Q808-D812 PolarHBondContact NE2-OD1 3.2Å; Q808-D812 WeakPolarHBondContact O-CB 3.29Å; Q808-D812 PolarHBondContact O-N 2.97Å
809A86.5Confident84.6Confident57 Ų5794.4 Ų94.447%0.47146%0.46SS..Hα-helixtrans-66.4-35.1178.300000112.8I805 Q806 R813I805-A809 VanDerWaalsContact O-CB 3.3Å; I805-A809 WeakPolarHBondContact O-CB 3.16Å; I805-A809 PolarHBondContact O-N 3.31Å; Q806-A809 PolarHBondContact O-N 2.72Å; A809-R813 VanDerWaalsContact O-CB 3.23Å; A809-R813 WeakPolarHBondContact O-CB 3.11Å; A809-R813 PolarHBondContact O-N 2.77Å
810E80Confident84.8Confident55 Ų5599.7 Ų99.726%0.25748%0.477SS..Hα-helixtrans-72.2-34.8172.9176.661.8-171.200111.6Q806 L807 Q808 R813 R814Q806-E810 VanDerWaalsContact O-CB 3.26Å; Q806-E810 WeakPolarHBondContact O-CB 3.34Å; Q806-E810 PolarHBondContact O-N 3.27Å; L807-E810 PolarHBondContact O-N 3.25Å; Q808-E810 PolarHBondContact O-N 2.79Å; E810-R813 PolarHBondContact O-N 3.35Å; E810-R813 IonicContact OE1-CZ 2.67Å; E810-R813 IonicContact OE1-NE 3.54Å; E810-R813 IonicContact OE1-NH2 3.52Å; E810-R813 PolarHBondContact OE1-NH2 2.74Å; E810-R813 IonicContact OE2-CZ 3.39Å; E810-R813 IonicContact OE2-NE 3.05Å; E810-R813 PolarHBondContact OE2-NE 3.03Å; E810-R813 IonicContact OE2-NH2 2.64Å; E810-R813 PolarHBondContact OE2-NH2 3.31Å; E810-R814 VanDerWaalsContact O-CB 3.32Å; E810-R814 WeakPolarHBondContact O-CB 3.46Å; E810-R814 VanDerWaalsContact O-CG 3.25Å; E810-R814 WeakPolarHBondContact O-CG 3.37Å; E810-R814 PolarHBondContact O-N 3.4Å; E810-R814 IonicContact OE1-CZ 3.3Å; E810-R814 VanDerWaalsContact OE1-CZ 3.31Å; E810-R814 IonicContact OE1-NE 3.85Å; E810-R814 PolarHBondContact OE1-NE 2.74Å; E810-R814 IonicContact OE1-NH2 2.82Å; E810-R814 PolarHBondContact OE1-NH2 3.26Å
811M84.5Confident85Confident93 Ų93100.9 Ų100.946%0.45848%0.48SS..Hα-helixtrans-69.7-41.2172.4-173.6178.869.200111.3L807 Q808 R813 R814 L815L807-M811 WeakPolarHBondContact O-CB 3.23Å; L807-M811 PolarHBondContact O-N 3.02Å; Q808-M811 VanDerWaalsContact NE2-CE 3.25Å; Q808-M811 CarbonylContact O-C 3.44Å; Q808-M811 PolarHBondContact O-N 2.67Å; M811-R813 VanDerWaalsContact C-N 3.32Å; M811-R814 PolarHBondContact O-N 2.94Å; M811-L815 HydrophobicContact CG-CD1 4.13Å; M811-L815 VanDerWaalsContact O-CB 3.27Å; M811-L815 WeakPolarHBondContact O-CB 3.47Å; M811-L815 VanDerWaalsContact O-CG 3.32Å; M811-L815 WeakPolarHBondContact O-CG 3.35Å; M811-L815 PolarHBondContact O-N 3.47Å
812D87Confident85.3Confident73 Ų73101.7 Ų101.739%0.3948%0.484SS..Hα-helixtrans-65.8-36.3173.7-64.9-15.5000110.5Q808 S816Q808-D812 PolarHBondContact NE2-OD1 3.2Å; Q808-D812 WeakPolarHBondContact O-CB 3.29Å; Q808-D812 PolarHBondContact O-N 2.97Å; D812-S816 WeakPolarHBondContact O-CB 3.49Å; D812-S816 PolarHBondContact O-N 3.38Å; D812-S816 PolarHBondContact O-OG 2.75Å
813R89.4Confident85.3Confident110 Ų110101.6 Ų101.642%0.41548%0.483SS..Hα-helixtrans-65.1-48.8172.1-168.8-170.172.574.25.7110.9A809 E810 M811 S816 E817A809-R813 VanDerWaalsContact O-CB 3.23Å; A809-R813 WeakPolarHBondContact O-CB 3.11Å; A809-R813 PolarHBondContact O-N 2.77Å; E810-R813 PolarHBondContact O-N 3.35Å; E810-R813 IonicContact OE1-CZ 2.67Å; E810-R813 IonicContact OE1-NE 3.54Å; E810-R813 IonicContact OE1-NH2 3.52Å; E810-R813 PolarHBondContact OE1-NH2 2.74Å; E810-R813 IonicContact OE2-CZ 3.39Å; E810-R813 IonicContact OE2-NE 3.05Å; E810-R813 PolarHBondContact OE2-NE 3.03Å; E810-R813 IonicContact OE2-NH2 2.64Å; E810-R813 PolarHBondContact OE2-NH2 3.31Å; M811-R813 VanDerWaalsContact C-N 3.32Å; R813-S816 CarbonylContact O-C 3.6Å; R813-S816 WeakPolarHBondContact O-CB 3.39Å; R813-S816 PolarHBondContact O-N 3.09Å; R813-E817 IonicContact CZ-OE2 2.67Å; R813-E817 VanDerWaalsContact NH1-CD 3.26Å; R813-E817 IonicContact NH1-OE1 2.65Å; R813-E817 PolarHBondContact NH1-OE1 2.79Å; R813-E817 VanDerWaalsContact NH1-OE1 3.16Å; R813-E817 IonicContact NH1-OE2 3.23Å; R813-E817 PolarHBondContact NH1-OE2 3.25Å; R813-E817 IonicContact NH2-OE2 2.68Å; R813-E817 PolarHBondContact NH2-OE2 3.46Å; R813-E817 VanDerWaalsContact O-CB 3.29Å; R813-E817 WeakPolarHBondContact O-CB 3.3Å; R813-E817 PolarHBondContact O-N 2.82Å
814R85.5Confident85.5Confident154 Ų15499.1 Ų99.158%0.58148%0.478SS*.Hα-helixtrans-66.1-34.2177-75.4178.9-168.4-146.1-0.5112.8E810 M811 E817 F818E810-R814 VanDerWaalsContact O-CB 3.32Å; E810-R814 WeakPolarHBondContact O-CB 3.46Å; E810-R814 VanDerWaalsContact O-CG 3.25Å; E810-R814 WeakPolarHBondContact O-CG 3.37Å; E810-R814 PolarHBondContact O-N 3.4Å; E810-R814 IonicContact OE1-CZ 3.3Å; E810-R814 VanDerWaalsContact OE1-CZ 3.31Å; E810-R814 IonicContact OE1-NE 3.85Å; E810-R814 PolarHBondContact OE1-NE 2.74Å; E810-R814 IonicContact OE1-NH2 2.82Å; E810-R814 PolarHBondContact OE1-NH2 3.26Å; M811-R814 PolarHBondContact O-N 2.94Å; R814-E817 PolarHBondContact O-N 2.88Å; R814-F818 WeakPolarHBondContact O-CB 3.33Å; R814-F818 PolarHBondContact O-N 2.99Å
815L84.9Confident85.4Confident85 Ų8595.4 Ų95.445%0.44548%0.475SS..Hα-helixtrans-66.5-43170.4-81.3164.9000110.5M811 E817 F818 E819M811-L815 HydrophobicContact CG-CD1 4.13Å; M811-L815 VanDerWaalsContact O-CB 3.27Å; M811-L815 WeakPolarHBondContact O-CB 3.47Å; M811-L815 VanDerWaalsContact O-CG 3.32Å; M811-L815 WeakPolarHBondContact O-CG 3.35Å; M811-L815 PolarHBondContact O-N 3.47Å; L815-E817 VanDerWaalsContact C-N 3.28Å; L815-E817 PolarHBondContact O-N 2.95Å; L815-F818 PolarHBondContact O-N 3.04Å; L815-E819 VanDerWaalsContact O-CB 3.32Å; L815-E819 WeakPolarHBondContact O-CB 3.24Å; L815-E819 WeakPolarHBondContact O-CG 3.42Å; L815-E819 PolarHBondContact O-N 3.32Å
816S85.2Confident85.2Confident46 Ų4694.9 Ų94.932%0.32247%0.472SS..Hα-helixtrans-67-29.4174.4-55.40000112.8D812 R813 R820D812-S816 WeakPolarHBondContact O-CB 3.49Å; D812-S816 PolarHBondContact O-N 3.38Å; D812-S816 PolarHBondContact O-OG 2.75Å; R813-S816 CarbonylContact O-C 3.6Å; R813-S816 WeakPolarHBondContact O-CB 3.39Å; R813-S816 PolarHBondContact O-N 3.09Å; S816-R820 VanDerWaalsContact C-NH1 3.28Å; S816-R820 WeakPolarHBondContact O-CB 3.42Å; S816-R820 VanDerWaalsContact O-CG 3.31Å; S816-R820 WeakPolarHBondContact O-CG 3.39Å; S816-R820 PolarHBondContact O-N 3.22Å; S816-R820 VanDerWaalsContact O-N 3.16Å; S816-R820 PolarHBondContact O-NH1 3.12Å
817E84.1Confident85.3Confident78 Ų7892.5 Ų92.536%0.36447%0.468SS..Hα-helixtrans-77.9-42.2177-165.8160.8-133.200110.3R813 R814 L815 R820 N821R813-E817 IonicContact CZ-OE2 2.67Å; R813-E817 VanDerWaalsContact NH1-CD 3.26Å; R813-E817 IonicContact NH1-OE1 2.65Å; R813-E817 PolarHBondContact NH1-OE1 2.79Å; R813-E817 VanDerWaalsContact NH1-OE1 3.16Å; R813-E817 IonicContact NH1-OE2 3.23Å; R813-E817 PolarHBondContact NH1-OE2 3.25Å; R813-E817 IonicContact NH2-OE2 2.68Å; R813-E817 PolarHBondContact NH2-OE2 3.46Å; R813-E817 VanDerWaalsContact O-CB 3.29Å; R813-E817 WeakPolarHBondContact O-CB 3.3Å; R813-E817 PolarHBondContact O-N 2.82Å; R814-E817 PolarHBondContact O-N 2.88Å; L815-E817 VanDerWaalsContact C-N 3.28Å; L815-E817 PolarHBondContact O-N 2.95Å; E817-R820 PolarHBondContact O-N 2.91Å; E817-N821 WeakPolarHBondContact O-CB 3.39Å; E817-N821 PolarHBondContact O-N 2.8Å; E817-N821 PolarHBondContact O-OD1 3.27Å
818F84.5Confident85.3Confident131 Ų13190.7 Ų90.758%0.57546%0.456SS*.Hα-helixtrans-63.3-44.3170.4-179.1-95.9000112.1R814 L815 R820 N821 H822R814-F818 WeakPolarHBondContact O-CB 3.33Å; R814-F818 PolarHBondContact O-N 2.99Å; L815-F818 PolarHBondContact O-N 3.04Å; F818-R820 VanDerWaalsContact C-N 3.34Å; F818-R820 PolarHBondContact O-N 3.08Å; F818-N821 PolarHBondContact O-N 3.47Å; F818-H822 AromaticContact CE1-CD2 3.98Å; F818-H822 WeakPolarHBondContact O-CB 3.38Å; F818-H822 PolarHBondContact O-N 3.24Å
819E85.7Confident85.1Confident130 Ų13090.4 Ų90.461%0.60746%0.456SS*.Hα-helixtrans-59.6-43.9173.4-80.3-178.7173.400111L815 T823L815-E819 VanDerWaalsContact O-CB 3.32Å; L815-E819 WeakPolarHBondContact O-CB 3.24Å; L815-E819 WeakPolarHBondContact O-CG 3.42Å; L815-E819 PolarHBondContact O-N 3.32Å; E819-T823 WeakPolarHBondContact O-CG2 3.5Å; E819-T823 PolarHBondContact O-N 2.81Å; E819-T823 PolarHBondContact O-OG1 3.38Å; E819-T823 VanDerWaalsContact O-OG1 3.1Å
820R85.3Confident84.9Confident160 Ų16091.9 Ų91.960%0.60445%0.454SS*.Hα-helixtrans-63.5-49175.5-78.5-176.5-157.890.8-3.8112S816 E817 F818 T823 A824S816-R820 VanDerWaalsContact C-NH1 3.28Å; S816-R820 WeakPolarHBondContact O-CB 3.42Å; S816-R820 VanDerWaalsContact O-CG 3.31Å; S816-R820 WeakPolarHBondContact O-CG 3.39Å; S816-R820 PolarHBondContact O-N 3.22Å; S816-R820 VanDerWaalsContact O-N 3.16Å; S816-R820 PolarHBondContact O-NH1 3.12Å; E817-R820 PolarHBondContact O-N 2.91Å; F818-R820 VanDerWaalsContact C-N 3.34Å; F818-R820 PolarHBondContact O-N 3.08Å; R820-T823 WeakPolarHBondContact CA-OG1 3.3Å; R820-T823 CarbonylContact O-C 3.59Å; R820-T823 PolarHBondContact O-N 3.39Å; R820-T823 VanDerWaalsContact O-N 3.15Å; R820-T823 PolarHBondContact O-OG1 3.38Å; R820-A824 PolarHBondContact O-N 2.75Å
821N86.5Confident85.3Confident98 Ų9892.6 Ų92.652%0.52446%0.462SS..Hα-helixtrans-63.4-43.6-179.7-66.73.8000110.5E817 F818 T823 A824 S825E817-N821 WeakPolarHBondContact O-CB 3.39Å; E817-N821 PolarHBondContact O-N 2.8Å; E817-N821 PolarHBondContact O-OD1 3.27Å; F818-N821 PolarHBondContact O-N 3.47Å; N821-T823 VanDerWaalsContact C-N 3.32Å; N821-T823 PolarHBondContact O-N 3.39Å; N821-A824 CarbonylContact O-C 3.57Å; N821-A824 WeakPolarHBondContact O-CA 3.12Å; N821-A824 WeakPolarHBondContact O-CB 3.47Å; N821-A824 PolarHBondContact O-N 2.78Å; N821-S825 PolarHBondContact O-N 2.78Å; N821-S825 PolarHBondContact O-OG 2.77Å
822H87Confident85.3Confident95 Ų9589.4 Ų89.444%0.4445%0.449SS..Hα-helixtrans-63.3-33.7173.8-170.6-40.8000112.2F818 L826F818-H822 AromaticContact CE1-CD2 3.98Å; F818-H822 WeakPolarHBondContact O-CB 3.38Å; F818-H822 PolarHBondContact O-N 3.24Å; H822-L826 WeakPolarHBondContact ND1-CD1 3.4Å; H822-L826 VanDerWaalsContact O-CB 3.28Å; H822-L826 WeakPolarHBondContact O-CB 3.45Å; H822-L826 VanDerWaalsContact O-CG 3.26Å; H822-L826 WeakPolarHBondContact O-CG 3.26Å; H822-L826 PolarHBondContact O-N 2.97Å
823T85.3Confident85.3Confident84 Ų8491 Ų9152%0.51545%0.449SS..Hα-helixtrans-74.4-28.3170.655.90000113.6E819 R820 N821 V827E819-T823 WeakPolarHBondContact O-CG2 3.5Å; E819-T823 PolarHBondContact O-N 2.81Å; E819-T823 PolarHBondContact O-OG1 3.38Å; E819-T823 VanDerWaalsContact O-OG1 3.1Å; R820-T823 WeakPolarHBondContact CA-OG1 3.3Å; R820-T823 CarbonylContact O-C 3.59Å; R820-T823 PolarHBondContact O-N 3.39Å; R820-T823 VanDerWaalsContact O-N 3.15Å; R820-T823 PolarHBondContact O-OG1 3.38Å; N821-T823 VanDerWaalsContact C-N 3.32Å; N821-T823 PolarHBondContact O-N 3.39Å; T823-V827 VanDerWaalsContact O-CG2 3.28Å; T823-V827 WeakPolarHBondContact O-CG2 3.24Å; T823-V827 PolarHBondContact O-N 2.79Å
824A86.3Confident85.3Confident38 Ų3890.4 Ų90.431%0.31445%0.451SS..Hα-helixtrans-69.4-52171.800000109.9R820 N821 L826 V827 E828R820-A824 PolarHBondContact O-N 2.75Å; N821-A824 CarbonylContact O-C 3.57Å; N821-A824 WeakPolarHBondContact O-CA 3.12Å; N821-A824 WeakPolarHBondContact O-CB 3.47Å; N821-A824 PolarHBondContact O-N 2.78Å; A824-L826 VanDerWaalsContact C-N 3.31Å; A824-L826 PolarHBondContact O-N 3.5Å; A824-V827 CarbonylContact O-C 3.56Å; A824-V827 WeakPolarHBondContact O-CA 3.3Å; A824-V827 WeakPolarHBondContact O-CB 3.36Å; A824-V827 PolarHBondContact O-N 3.31Å; A824-E828 WeakPolarHBondContact O-CG 3.48Å; A824-E828 PolarHBondContact O-N 2.89Å
825S82.6Confident85.3Confident67 Ų6787.1 Ų87.147%0.46945%0.445SS..Hα-helixtrans-63.6-30177-54.20000113.5N821 E828 L829N821-S825 PolarHBondContact O-N 2.78Å; N821-S825 PolarHBondContact O-OG 2.77Å; S825-E828 WeakPolarHBondContact CA-OE2 3.43Å; S825-E828 PolarHBondContact N-OE2 3.21Å; S825-L829 WeakPolarHBondContact O-CB 3.43Å; S825-L829 PolarHBondContact O-N 2.9Å
826L83.4Confident85.3Confident90 Ų9087 Ų8747%0.47144%0.444SS..Hα-helixtrans-69.1-32.2168.2-82.3174.9000113.2H822 A824 E830H822-L826 WeakPolarHBondContact ND1-CD1 3.4Å; H822-L826 VanDerWaalsContact O-CB 3.28Å; H822-L826 WeakPolarHBondContact O-CB 3.45Å; H822-L826 VanDerWaalsContact O-CG 3.26Å; H822-L826 WeakPolarHBondContact O-CG 3.26Å; H822-L826 PolarHBondContact O-N 2.97Å; A824-L826 VanDerWaalsContact C-N 3.31Å; A824-L826 PolarHBondContact O-N 3.5Å; L826-E830 WeakPolarHBondContact O-CB 3.24Å; L826-E830 PolarHBondContact O-N 2.95Å
827V87.3Confident85.2Confident96 Ų9688.8 Ų88.858%0.58245%0.449SS*.Hα-helixtrans-77.7-37.3175.4168.20000110.9T823 A824 T831T823-V827 VanDerWaalsContact O-CG2 3.28Å; T823-V827 WeakPolarHBondContact O-CG2 3.24Å; T823-V827 PolarHBondContact O-N 2.79Å; A824-V827 CarbonylContact O-C 3.56Å; A824-V827 WeakPolarHBondContact O-CA 3.3Å; A824-V827 WeakPolarHBondContact O-CB 3.36Å; A824-V827 PolarHBondContact O-N 3.31Å; V827-T831 VanDerWaalsContact O-CB 3.31Å; V827-T831 WeakPolarHBondContact O-CB 3.46Å; V827-T831 PolarHBondContact O-N 3.37Å; V827-T831 PolarHBondContact O-OG1 3.4Å
828E84.4Confident85.4Confident82 Ų8290.4 Ų90.438%0.38346%0.456SS..Hα-helixtrans-63.5-46.2171.7-70.1150.5-172.500110.3A824 S825 T831 S832A824-E828 WeakPolarHBondContact O-CG 3.48Å; A824-E828 PolarHBondContact O-N 2.89Å; S825-E828 WeakPolarHBondContact CA-OE2 3.43Å; S825-E828 PolarHBondContact N-OE2 3.21Å; E828-T831 WeakPolarHBondContact O-CB 3.42Å; E828-T831 PolarHBondContact O-N 3.29Å; E828-S832 WeakPolarHBondContact O-CB 3.39Å; E828-S832 PolarHBondContact O-N 2.96Å; E828-S832 PolarHBondContact O-OG 2.71Å; E828-S832 VanDerWaalsContact O-OG 3.08Å
829L82.3Confident85.4Confident76 Ų7689.9 Ų89.940%0.39846%0.456SS..Hα-helixtrans-63.7-44.3174.3-179.560.9000112.4S825 T831 S832 R833 D1861S825-L829 WeakPolarHBondContact O-CB 3.43Å; S825-L829 PolarHBondContact O-N 2.9Å; L829-T831 VanDerWaalsContact C-N 3.28Å; L829-T831 PolarHBondContact O-N 3.43Å; L829-S832 PolarHBondContact O-N 3.23Å; L829-R833 VanDerWaalsContact O-CB 3.29Å; L829-R833 WeakPolarHBondContact O-CB 3.29Å; L829-R833 PolarHBondContact O-N 2.66Å; L829-D1861 HydrophobicContact CD1-CB 4.44Å
830E82.4Confident85.3Confident88 Ų8889.1 Ų89.141%0.41146%0.455SS..Hα-helixtrans-66.3-31.3175.7-175.969172.900111.8L826 R833 H834L826-E830 WeakPolarHBondContact O-CB 3.24Å; L826-E830 PolarHBondContact O-N 2.95Å; E830-R833 VanDerWaalsContact CD-NH2 3.26Å; E830-R833 IonicContact OE1-CZ 3.68Å; E830-R833 IonicContact OE1-NE 2.68Å; E830-R833 IonicContact OE1-NH2 3.61Å; E830-R833 PolarHBondContact OE1-NH2 3.08Å; E830-R833 IonicContact OE2-CZ 3.19Å; E830-R833 IonicContact OE2-NE 3.99Å; E830-R833 PolarHBondContact OE2-NE 2.78Å; E830-R833 IonicContact OE2-NH2 3.74Å; E830-R833 PolarHBondContact OE2-NH2 3.02Å; E830-H834 PolarHBondContact O-CD2 3.01Å; E830-H834 VanDerWaalsContact O-CD2 3.26Å; E830-H834 PolarHBondContact O-N 3.32Å; E830-H834 IonicContact OE1-NE2 3.05Å
831T87.9Confident85.4Confident70 Ų7086.8 Ų86.843%0.42945%0.454SS..Hα-helixtrans-69.4-48171.5-54.80000110.7V827 E828 L829 R833 H834 D835V827-T831 VanDerWaalsContact O-CB 3.31Å; V827-T831 WeakPolarHBondContact O-CB 3.46Å; V827-T831 PolarHBondContact O-N 3.37Å; V827-T831 PolarHBondContact O-OG1 3.4Å; E828-T831 WeakPolarHBondContact O-CB 3.42Å; E828-T831 PolarHBondContact O-N 3.29Å; L829-T831 VanDerWaalsContact C-N 3.28Å; L829-T831 PolarHBondContact O-N 3.43Å; T831-R833 VanDerWaalsContact C-N 3.28Å; T831-R833 PolarHBondContact O-N 2.98Å; T831-H834 CarbonylContact O-C 3.59Å; T831-H834 WeakPolarHBondContact O-CA 3.4Å; T831-H834 WeakPolarHBondContact O-CB 3.36Å; T831-H834 PolarHBondContact O-N 2.8Å; T831-D835 PolarHBondContact O-N 3.43Å
832S85Confident85.4Confident26 Ų2686.7 Ų86.718%0.18245%0.451CS..Hα-helixtrans-60.1-36.6174.5-61.50000112.1E828 L829 D835 L836 Q1858E828-S832 WeakPolarHBondContact O-CB 3.39Å; E828-S832 PolarHBondContact O-N 2.96Å; E828-S832 PolarHBondContact O-OG 2.71Å; E828-S832 VanDerWaalsContact O-OG 3.08Å; L829-S832 PolarHBondContact O-N 3.23Å; S832-D835 PolarHBondContact O-N 2.88Å; S832-L836 VanDerWaalsContact O-CB 3.26Å; S832-L836 WeakPolarHBondContact O-CB 3.38Å; S832-L836 VanDerWaalsContact O-CG 3.25Å; S832-L836 WeakPolarHBondContact O-CG 3.39Å; S832-L836 PolarHBondContact O-N 3.35Å; S832-Q1858 PolarHBondContact OG-NE2 3.41Å
833R86.4Confident85.2Confident108 Ų10887.3 Ų87.341%0.40846%0.455SS..Hα-helixtrans-66.1-36.5173.2-165.1-171.567.166.83.4111.8L829 E830 T831 M837L829-R833 VanDerWaalsContact O-CB 3.29Å; L829-R833 WeakPolarHBondContact O-CB 3.29Å; L829-R833 PolarHBondContact O-N 2.66Å; E830-R833 VanDerWaalsContact CD-NH2 3.26Å; E830-R833 IonicContact OE1-CZ 3.68Å; E830-R833 IonicContact OE1-NE 2.68Å; E830-R833 IonicContact OE1-NH2 3.61Å; E830-R833 PolarHBondContact OE1-NH2 3.08Å; E830-R833 IonicContact OE2-CZ 3.19Å; E830-R833 IonicContact OE2-NE 3.99Å; E830-R833 PolarHBondContact OE2-NE 2.78Å; E830-R833 IonicContact OE2-NH2 3.74Å; E830-R833 PolarHBondContact OE2-NH2 3.02Å; T831-R833 VanDerWaalsContact C-N 3.28Å; T831-R833 PolarHBondContact O-N 2.98Å; R833-M837 WeakPolarHBondContact O-CB 3.31Å; R833-M837 PolarHBondContact O-N 3.16Å
834H88.6Confident85.3Confident96 Ų9687.7 Ų87.744%0.44445%0.451SS..Hα-helixtrans-69.3-42.9172.8-92.2-69.8000112.4E830 T831 M837 Q838E830-H834 PolarHBondContact O-CD2 3.01Å; E830-H834 VanDerWaalsContact O-CD2 3.26Å; E830-H834 PolarHBondContact O-N 3.32Å; E830-H834 IonicContact OE1-NE2 3.05Å; T831-H834 CarbonylContact O-C 3.59Å; T831-H834 WeakPolarHBondContact O-CA 3.4Å; T831-H834 WeakPolarHBondContact O-CB 3.36Å; T831-H834 PolarHBondContact O-N 2.8Å; H834-M837 PolarHBondContact O-N 3.39Å; H834-Q838 PolarHBondContact O-N 3.03Å
835D86.7Confident85.4Confident86 Ų8691.3 Ų91.346%0.4647%0.465SS..Hα-helixtrans-66.8-40.3177.1-70.1-13.4000111.8T831 S832 Q838 Q839T831-D835 PolarHBondContact O-N 3.43Å; S832-D835 PolarHBondContact O-N 2.88Å; D835-Q838 PolarHBondContact O-N 3.13Å; D835-Q839 WeakPolarHBondContact O-CG 3.49Å; D835-Q839 PolarHBondContact O-N 3.47Å
836L84.4Confident85.6Confident82 Ų8292.1 Ų92.143%0.42946%0.463SS..Hα-helixtrans-63.4-41172.5-78.5167.5000111.7S832 Q839 L840S832-L836 VanDerWaalsContact O-CB 3.26Å; S832-L836 WeakPolarHBondContact O-CB 3.38Å; S832-L836 VanDerWaalsContact O-CG 3.25Å; S832-L836 WeakPolarHBondContact O-CG 3.39Å; S832-L836 PolarHBondContact O-N 3.35Å; L836-Q839 PolarHBondContact O-N 2.83Å; L836-L840 WeakPolarHBondContact O-CB 3.2Å; L836-L840 PolarHBondContact O-N 2.8Å
837M83Confident85.6Confident83 Ų8392.1 Ų92.141%0.40946%0.463SS..Hα-helixtrans-67.8-36.1177-170.2167.16000111.8R833 H834 L840 D841R833-M837 WeakPolarHBondContact O-CB 3.31Å; R833-M837 PolarHBondContact O-N 3.16Å; H834-M837 PolarHBondContact O-N 3.39Å; M837-L840 WeakPolarHBondContact O-CB 3.36Å; M837-L840 PolarHBondContact O-N 2.91Å; M837-D841 PolarHBondContact O-N 3.02Å
838Q88.1Confident85.6Confident113 Ų11394.6 Ų94.653%0.52846%0.462SS..Hα-helixtrans-66.1-43170.4-176179.5-37.100111.7H834 D835 L840 D841 E842H834-Q838 PolarHBondContact O-N 3.03Å; D835-Q838 PolarHBondContact O-N 3.13Å; Q838-L840 PolarHBondContact O-N 3.21Å; Q838-D841 PolarHBondContact O-N 2.96Å; Q838-E842 WeakPolarHBondContact CG-OE1 3.43Å; Q838-E842 PolarHBondContact NE2-OE1 2.95Å; Q838-E842 WeakPolarHBondContact O-CG 3.45Å; Q838-E842 PolarHBondContact O-N 3.49Å
839Q84.3Confident85.6Confident120 Ų12096.9 Ų96.956%0.56147%0.473SS*.Hα-helixtrans-62.1-31.6173.7-74.2175.349.100112.1D835 L836 M843D835-Q839 WeakPolarHBondContact O-CG 3.49Å; D835-Q839 PolarHBondContact O-N 3.47Å; L836-Q839 PolarHBondContact O-N 2.83Å; Q839-M843 WeakPolarHBondContact O-CB 3.38Å; Q839-M843 PolarHBondContact O-N 2.79Å
840L83.7Confident85.8Confident114 Ų11497.1 Ų97.160%0.59747%0.474SS*.Hα-helixtrans-69-42.8173.8-155.796.8000111.8L836 M837 Q838 M843 E844L836-L840 WeakPolarHBondContact O-CB 3.2Å; L836-L840 PolarHBondContact O-N 2.8Å; M837-L840 WeakPolarHBondContact O-CB 3.36Å; M837-L840 PolarHBondContact O-N 2.91Å; Q838-L840 PolarHBondContact O-N 3.21Å; L840-M843 PolarHBondContact O-N 2.83Å; L840-E844 WeakPolarHBondContact O-CB 3.35Å; L840-E844 PolarHBondContact O-N 3.22Å
841D86.9Confident86.1Confident110 Ų110100.2 Ų100.259%0.58849%0.486SS*.Hα-helixtrans-63.3-41.2173.9-84.2-27000111.9M837 Q838 E844 L845M837-D841 PolarHBondContact O-N 3.02Å; Q838-D841 PolarHBondContact O-N 2.96Å; D841-E844 PolarHBondContact O-N 2.96Å; D841-L845 PolarHBondContact O-N 3.22Å
842E87.2Confident86.1Confident97 Ų97102.3 Ų102.345%0.45350%0.495SS..Hα-helixtrans-66.6-40.4174.5-72176.9-159.300111.5Q838 L845 I846Q838-E842 WeakPolarHBondContact CG-OE1 3.43Å; Q838-E842 PolarHBondContact NE2-OE1 2.95Å; Q838-E842 WeakPolarHBondContact O-CG 3.45Å; Q838-E842 PolarHBondContact O-N 3.49Å; E842-L845 WeakPolarHBondContact O-CB 3.11Å; E842-L845 PolarHBondContact O-N 3.01Å; E842-I846 WeakPolarHBondContact O-CG1 3.28Å; E842-I846 PolarHBondContact O-N 3.49Å
843M83.8Confident86.1Confident108 Ų108107 Ų10753%0.53251%0.514SS..Hα-helixtrans-66.6-35.7173.5-175.761.868.600112.1Q839 L840 N847Q839-M843 WeakPolarHBondContact O-CB 3.38Å; Q839-M843 PolarHBondContact O-N 2.79Å; L840-M843 PolarHBondContact O-N 2.83Å; M843-N847 VanDerWaalsContact O-CB 3.32Å; M843-N847 WeakPolarHBondContact O-CB 3.28Å; M843-N847 PolarHBondContact O-N 2.65Å; M843-N847 PolarHBondContact O-ND2 3.28Å
844E86.3Confident86.1Confident91 Ų91107.2 Ų107.243%0.42552%0.522SS..Hα-helixtrans-64.1-40.9171-96.3-134.1-147.600111.5L840 D841 N847 R848L840-E844 WeakPolarHBondContact O-CB 3.35Å; L840-E844 PolarHBondContact O-N 3.22Å; D841-E844 PolarHBondContact O-N 2.96Å; E844-N847 PolarHBondContact O-N 2.85Å; E844-R848 WeakPolarHBondContact O-CD 3.3Å; E844-R848 WeakPolarHBondContact O-CG 3.46Å; E844-R848 PolarHBondContact O-N 2.89Å; E844-R848 IonicContact OE2-CZ 3.48Å; E844-R848 IonicContact OE2-NE 2.71Å; E844-R848 PolarHBondContact OE2-NE 3.37Å; E844-R848 IonicContact OE2-NH2 3.28Å; E844-R848 PolarHBondContact OE2-NH2 2.86Å
845L88.2Confident86Confident114 Ų114108.3 Ų108.360%0.59753%0.526SS*.Hα-helixtrans-63.2-48175.8-173.763.8000111.4D841 E842 N847 R848 E849D841-L845 PolarHBondContact O-N 3.22Å; E842-L845 WeakPolarHBondContact O-CB 3.11Å; E842-L845 PolarHBondContact O-N 3.01Å; L845-N847 VanDerWaalsContact C-N 3.34Å; L845-N847 PolarHBondContact O-N 3.11Å; L845-R848 WeakPolarHBondContact O-CB 3.45Å; L845-R848 PolarHBondContact O-N 2.8Å; L845-R848 VanDerWaalsContact O-N 3.16Å; L845-E849 PolarHBondContact O-N 2.78Å
846I87.5Confident85.9Confident85 Ų85106.4 Ų106.444%0.43652%0.519SS..Hα-helixtrans-61.4-40.9175.9-67.8164.9000111E842 R848 E849 L850E842-I846 WeakPolarHBondContact O-CG1 3.28Å; E842-I846 PolarHBondContact O-N 3.49Å; I846-R848 VanDerWaalsContact C-N 3.34Å; I846-R848 PolarHBondContact O-N 2.75Å; I846-E849 PolarHBondContact O-N 3.24Å; I846-L850 HydrophobicContact CG2-CD1 3.91Å; I846-L850 HydrophobicContact CG2-CG 4.3Å; I846-L850 WeakPolarHBondContact O-CB 3.44Å; I846-L850 WeakPolarHBondContact O-CG 3.49Å; I846-L850 PolarHBondContact O-N 2.88Å
847N83.6Confident86Confident89 Ų89106.1 Ų106.148%0.47652%0.52SS..Hα-helixtrans-66.1-33.7175.5-85.8-68.9000112.9M843 E844 L845 K851M843-N847 VanDerWaalsContact O-CB 3.32Å; M843-N847 WeakPolarHBondContact O-CB 3.28Å; M843-N847 PolarHBondContact O-N 2.65Å; M843-N847 PolarHBondContact O-ND2 3.28Å; E844-N847 PolarHBondContact O-N 2.85Å; L845-N847 VanDerWaalsContact C-N 3.34Å; L845-N847 PolarHBondContact O-N 3.11Å; N847-K851 WeakPolarHBondContact O-CB 3.2Å; N847-K851 PolarHBondContact O-N 2.87Å
848R86.2Confident86.1Confident148 Ų148107.1 Ų107.156%0.55852%0.524SS*.Hα-helixtrans-67.8-39.1172.4-68.9164.1-168.1-168.87.2111.2E844 L845 I846 K851 N852E844-R848 WeakPolarHBondContact O-CD 3.3Å; E844-R848 WeakPolarHBondContact O-CG 3.46Å; E844-R848 PolarHBondContact O-N 2.89Å; E844-R848 IonicContact OE2-CZ 3.48Å; E844-R848 IonicContact OE2-NE 2.71Å; E844-R848 PolarHBondContact OE2-NE 3.37Å; E844-R848 IonicContact OE2-NH2 3.28Å; E844-R848 PolarHBondContact OE2-NH2 2.86Å; L845-R848 WeakPolarHBondContact O-CB 3.45Å; L845-R848 PolarHBondContact O-N 2.8Å; L845-R848 VanDerWaalsContact O-N 3.16Å; I846-R848 VanDerWaalsContact C-N 3.34Å; I846-R848 PolarHBondContact O-N 2.75Å; R848-K851 PolarHBondContact O-N 2.95Å; R848-N852 VanDerWaalsContact O-CG 3.24Å; R848-N852 PolarHBondContact O-N 3.46Å; R848-N852 VanDerWaalsContact O-N 3.09Å; R848-N852 PolarHBondContact O-ND2 3.29Å
849E85.8Confident86Confident130 Ų130106.7 Ų106.761%0.60752%0.522SS*.Hα-helixtrans-66.5-50.6175.2-172.8161.7-143.100112L845 I846 K851 N852 E853L845-E849 PolarHBondContact O-N 2.78Å; I846-E849 PolarHBondContact O-N 3.24Å; E849-K851 VanDerWaalsContact C-N 3.26Å; E849-K851 PolarHBondContact O-N 3.45Å; E849-N852 CarbonylContact O-C 3.52Å; E849-N852 WeakPolarHBondContact O-CA 3.33Å; E849-N852 WeakPolarHBondContact O-CB 3.44Å; E849-N852 PolarHBondContact O-N 3.09Å; E849-E853 PolarHBondContact O-N 3.42Å
850L86.2Confident86.2Confident81 Ų81106.9 Ų106.942%0.42452%0.521SS..Hα-helixtrans-57.3-37173.7-73.1171.6000112.3I846 E853 I854I846-L850 HydrophobicContact CG2-CD1 3.91Å; I846-L850 HydrophobicContact CG2-CG 4.3Å; I846-L850 WeakPolarHBondContact O-CB 3.44Å; I846-L850 WeakPolarHBondContact O-CG 3.49Å; I846-L850 PolarHBondContact O-N 2.88Å; L850-E853 PolarHBondContact O-N 3.38Å; L850-I854 WeakPolarHBondContact O-CB 3.29Å; L850-I854 WeakPolarHBondContact O-CD1 3.39Å; L850-I854 WeakPolarHBondContact O-CG1 3.35Å; L850-I854 PolarHBondContact O-N 3.31Å
851K87.7Confident86.2Confident154 Ų154106.3 Ų106.367%0.6752%0.518SS*.Hα-helixtrans-66.4-36.2174.8-172.2172.6-174.9173.10112.4N847 R848 E849 F855N847-K851 WeakPolarHBondContact O-CB 3.2Å; N847-K851 PolarHBondContact O-N 2.87Å; R848-K851 PolarHBondContact O-N 2.95Å; E849-K851 VanDerWaalsContact C-N 3.26Å; E849-K851 PolarHBondContact O-N 3.45Å; K851-F855 WeakPolarHBondContact O-CB 3.46Å; K851-F855 PolarHBondContact O-N 3.5Å
852N87.9Confident86Confident114 Ų114105.6 Ų105.661%0.6151%0.511SS*.Hα-helixtrans-69.5-39.5172.6-67.4-28.7000111.6R848 E849 F855 S856R848-N852 VanDerWaalsContact O-CG 3.24Å; R848-N852 PolarHBondContact O-N 3.46Å; R848-N852 VanDerWaalsContact O-N 3.09Å; R848-N852 PolarHBondContact O-ND2 3.29Å; E849-N852 CarbonylContact O-C 3.52Å; E849-N852 WeakPolarHBondContact O-CA 3.33Å; E849-N852 WeakPolarHBondContact O-CB 3.44Å; E849-N852 PolarHBondContact O-N 3.09Å; N852-F855 PolarHBondContact O-N 2.97Å; N852-S856 WeakPolarHBondContact O-CB 3.47Å; N852-S856 PolarHBondContact O-N 3.31Å
853E85.6Confident86Confident123 Ų123103.8 Ų103.858%0.57551%0.513SS*.Hα-helixtrans-62.3-47.3172.5-70.9-140.2118.700111.9E849 L850 F855 S856 V857E849-E853 PolarHBondContact O-N 3.42Å; L850-E853 PolarHBondContact O-N 3.38Å; E853-F855 VanDerWaalsContact C-N 3.3Å; E853-F855 PolarHBondContact O-N 2.91Å; E853-S856 CarbonylContact O-C 3.49Å; E853-S856 WeakPolarHBondContact O-CA 3.36Å; E853-S856 VanDerWaalsContact O-CB 3.29Å; E853-S856 WeakPolarHBondContact O-CB 3.27Å; E853-S856 PolarHBondContact O-N 3.4Å; E853-S856 VanDerWaalsContact O-N 3.08Å; E853-V857 WeakPolarHBondContact O-CG2 3.49Å; E853-V857 PolarHBondContact O-N 3.31Å
854I86Confident86.2Confident113 Ų113105.2 Ų105.258%0.57952%0.517SS*.Hα-helixtrans-57.9-43.4176.1-72.7164.1000110.4L850 V857 Q858L850-I854 WeakPolarHBondContact O-CB 3.29Å; L850-I854 WeakPolarHBondContact O-CD1 3.39Å; L850-I854 WeakPolarHBondContact O-CG1 3.35Å; L850-I854 PolarHBondContact O-N 3.31Å; I854-V857 PolarHBondContact O-N 2.9Å; I854-Q858 VanDerWaalsContact O-CB 3.3Å; I854-Q858 WeakPolarHBondContact O-CB 3.24Å; I854-Q858 PolarHBondContact O-N 3.4Å
855F85.8Confident86.1Confident119 Ų119106.3 Ų106.352%0.52252%0.522SS..Hα-helixtrans-64.7-39.2175.2-171.3-119.2000112.3K851 N852 E853 Q858 Q859K851-F855 WeakPolarHBondContact O-CB 3.46Å; K851-F855 PolarHBondContact O-N 3.5Å; N852-F855 PolarHBondContact O-N 2.97Å; E853-F855 VanDerWaalsContact C-N 3.3Å; E853-F855 PolarHBondContact O-N 2.91Å; F855-Q858 PolarHBondContact O-N 2.63Å; F855-Q859 WeakPolarHBondContact O-CG 3.48Å; F855-Q859 PolarHBondContact O-N 2.84Å
856S85.9Confident86.1Confident46 Ų46107.6 Ų107.632%0.32252%0.522SS..Hα-helixtrans-62.7-42.9172.9-1690000112.1N852 E853 Q859 K860N852-S856 WeakPolarHBondContact O-CB 3.47Å; N852-S856 PolarHBondContact O-N 3.31Å; E853-S856 CarbonylContact O-C 3.49Å; E853-S856 WeakPolarHBondContact O-CA 3.36Å; E853-S856 VanDerWaalsContact O-CB 3.29Å; E853-S856 WeakPolarHBondContact O-CB 3.27Å; E853-S856 PolarHBondContact O-N 3.4Å; E853-S856 VanDerWaalsContact O-N 3.08Å; S856-Q859 PolarHBondContact O-N 3.02Å; S856-K860 WeakPolarHBondContact O-CB 3.44Å; S856-K860 WeakPolarHBondContact O-CD 3.24Å; S856-K860 WeakPolarHBondContact O-CG 3.43Å; S856-K860 PolarHBondContact O-N 2.89Å; S856-K860 WeakPolarHBondContact OG-CE 3.14Å; S856-K860 PolarHBondContact OG-NZ 2.82Å
857V86Confident86.1Confident76 Ų76109.4 Ų109.446%0.46153%0.527SS..Hα-helixtrans-67.2-40.3175.7171.20000111E853 I854 K860 L861E853-V857 WeakPolarHBondContact O-CG2 3.49Å; E853-V857 PolarHBondContact O-N 3.31Å; I854-V857 PolarHBondContact O-N 2.9Å; V857-K860 CarbonylContact O-C 3.6Å; V857-K860 PolarHBondContact O-N 3.5Å; V857-L861 HydrophobicContact CG1-CD1 4.02Å; V857-L861 HydrophobicContact CG1-CG 4.4Å; V857-L861 WeakPolarHBondContact O-CB 3.27Å; V857-L861 WeakPolarHBondContact O-CG 3.39Å; V857-L861 PolarHBondContact O-N 2.93Å
858Q85.9Confident86.2Confident104 Ų104110 Ų11049%0.48653%0.53SS..Hα-helixtrans-64.8-40.7176.5-166.1177.520.900111.6I854 F855 L861 Q862I854-Q858 VanDerWaalsContact O-CB 3.3Å; I854-Q858 WeakPolarHBondContact O-CB 3.24Å; I854-Q858 PolarHBondContact O-N 3.4Å; F855-Q858 PolarHBondContact O-N 2.63Å; Q858-L861 PolarHBondContact O-N 2.87Å; Q858-Q862 WeakPolarHBondContact O-CG 3.41Å; Q858-Q862 PolarHBondContact O-N 2.85Å
859Q85.4Confident86.2Confident105 Ų105107.3 Ų107.349%0.49153%0.526SS..Hα-helixtrans-63.7-43.1170.6-72.3-172.234.200112.2F855 S856 L861 Q862 A863F855-Q859 WeakPolarHBondContact O-CG 3.48Å; F855-Q859 PolarHBondContact O-N 2.84Å; S856-Q859 PolarHBondContact O-N 3.02Å; Q859-L861 VanDerWaalsContact C-N 3.28Å; Q859-L861 PolarHBondContact O-N 3.32Å; Q859-Q862 PolarHBondContact O-N 3.47Å; Q859-A863 WeakPolarHBondContact O-CB 3.24Å; Q859-A863 PolarHBondContact O-N 3.38Å
860K87.6Confident86.2Confident124 Ų124107.2 Ų107.254%0.53953%0.526SS..Hα-helixtrans-62.6-33.5175-72.2159.1-177.6154.90112S856 V857 K864S856-K860 WeakPolarHBondContact O-CB 3.44Å; S856-K860 WeakPolarHBondContact O-CD 3.24Å; S856-K860 WeakPolarHBondContact O-CG 3.43Å; S856-K860 PolarHBondContact O-N 2.89Å; S856-K860 WeakPolarHBondContact OG-CE 3.14Å; S856-K860 PolarHBondContact OG-NZ 2.82Å; V857-K860 CarbonylContact O-C 3.6Å; V857-K860 PolarHBondContact O-N 3.5Å; K860-K864 WeakPolarHBondContact O-CB 3.32Å; K860-K864 WeakPolarHBondContact O-CG 3.13Å; K860-K864 PolarHBondContact O-N 3.39Å
861L84.8Confident86Confident102 Ų102106.6 Ų106.653%0.53452%0.521SS..Hα-helixtrans-71-49.1174-76.8168.9000111.5V857 Q858 Q859 A863 K864 E865V857-L861 HydrophobicContact CG1-CD1 4.02Å; V857-L861 HydrophobicContact CG1-CG 4.4Å; V857-L861 WeakPolarHBondContact O-CB 3.27Å; V857-L861 WeakPolarHBondContact O-CG 3.39Å; V857-L861 PolarHBondContact O-N 2.93Å; Q858-L861 PolarHBondContact O-N 2.87Å; Q859-L861 VanDerWaalsContact C-N 3.28Å; Q859-L861 PolarHBondContact O-N 3.32Å; L861-A863 PolarHBondContact O-N 3.38Å; L861-K864 CarbonylContact O-C 3.46Å; L861-K864 PolarHBondContact O-N 2.78Å; L861-K864 VanDerWaalsContact O-N 3.08Å; L861-E865 WeakPolarHBondContact O-CB 3.43Å; L861-E865 PolarHBondContact O-N 3.5Å
862Q83Confident86Confident94 Ų94101.7 Ų101.744%0.43950%0.504SS..Hα-helixtrans-60.5-33.2174.6-73.2-175.2-1.300112.8Q858 Q859 K866Q858-Q862 WeakPolarHBondContact O-CG 3.41Å; Q858-Q862 PolarHBondContact O-N 2.85Å; Q859-Q862 PolarHBondContact O-N 3.47Å; Q862-K866 WeakPolarHBondContact O-CB 3.22Å; Q862-K866 VanDerWaalsContact O-CG 3.3Å; Q862-K866 WeakPolarHBondContact O-CG 3.33Å; Q862-K866 PolarHBondContact O-N 2.68Å
863A86.9Confident85.9Confident60 Ų60102.6 Ų102.650%0.49651%0.505SS..Hα-helixtrans-68.6-42.5173.100000112Q859 L861 F867Q859-A863 WeakPolarHBondContact O-CB 3.24Å; Q859-A863 PolarHBondContact O-N 3.38Å; L861-A863 PolarHBondContact O-N 3.38Å; A863-F867 WeakPolarHBondContact O-CB 3.1Å; A863-F867 PolarHBondContact O-N 2.86Å
864K87.3Confident85.8Confident138 Ų138101.8 Ų101.860%0.650%0.501SS*.Hα-helixtrans-65.7-37.9173.4-79.7178.8176.4-178.70112.7K860 L861 F867 L868K860-K864 WeakPolarHBondContact O-CB 3.32Å; K860-K864 WeakPolarHBondContact O-CG 3.13Å; K860-K864 PolarHBondContact O-N 3.39Å; L861-K864 CarbonylContact O-C 3.46Å; L861-K864 PolarHBondContact O-N 2.78Å; L861-K864 VanDerWaalsContact O-N 3.08Å; K864-F867 PolarHBondContact O-N 2.85Å; K864-L868 VanDerWaalsContact O-CB 3.31Å; K864-L868 WeakPolarHBondContact O-CB 3.22Å; K864-L868 WeakPolarHBondContact O-CG 3.04Å; K864-L868 PolarHBondContact O-N 3.13Å
865E85.9Confident85.7Confident114 Ų114101.6 Ų101.653%0.53349%0.493SS..Hα-helixtrans-64-47.2176.1-174.2-174.2-177.900110.7L861 F867 L868 N869L861-E865 WeakPolarHBondContact O-CB 3.43Å; L861-E865 PolarHBondContact O-N 3.5Å; E865-F867 VanDerWaalsContact C-N 3.35Å; E865-F867 PolarHBondContact O-N 2.74Å; E865-L868 PolarHBondContact O-N 2.83Å; E865-N869 WeakPolarHBondContact O-CB 3.28Å; E865-N869 PolarHBondContact O-N 2.73Å; E865-N869 PolarHBondContact O-ND2 2.8Å
866K86.4Confident85.6Confident141 Ų141100.7 Ų100.761%0.61349%0.49SS*.Hα-helixtrans-58.9-44.1173.1-74.8169.6-177170.70112.2Q862 N869 E870Q862-K866 WeakPolarHBondContact O-CB 3.22Å; Q862-K866 VanDerWaalsContact O-CG 3.3Å; Q862-K866 WeakPolarHBondContact O-CG 3.33Å; Q862-K866 PolarHBondContact O-N 2.68Å; K866-N869 PolarHBondContact O-N 3.31Å; K866-E870 WeakPolarHBondContact O-CB 3.31Å; K866-E870 PolarHBondContact O-N 2.84Å
867F88.1Confident85.6Confident122 Ų122103.9 Ų103.954%0.53550%0.503SS..Hα-helixtrans-65.3-38.4175.5178.4-102.5000113A863 K864 E865 E870 Q871A863-F867 WeakPolarHBondContact O-CB 3.1Å; A863-F867 PolarHBondContact O-N 2.86Å; K864-F867 PolarHBondContact O-N 2.85Å; E865-F867 VanDerWaalsContact C-N 3.35Å; E865-F867 PolarHBondContact O-N 2.74Å; F867-E870 PolarHBondContact O-N 3.12Å; F867-Q871 HydrophobicContact CD1-CG 4.3Å; F867-Q871 HydrophobicContact CD2-CG 4.43Å; F867-Q871 HydrophobicContact CE1-CG 3.84Å; F867-Q871 HydrophobicContact CE2-CG 3.98Å; F867-Q871 HydrophobicContact CZ-CG 3.66Å; F867-Q871 VanDerWaalsContact O-CB 3.25Å; F867-Q871 WeakPolarHBondContact O-CB 2.91Å; F867-Q871 WeakPolarHBondContact O-CG 3.38Å; F867-Q871 PolarHBondContact O-N 2.87Å
868L85Confident85.5Confident101 Ų101105.5 Ų105.553%0.52951%0.506SS..Hα-helixtrans-68.1-35.4175-85.2162.1000112.2K864 E865 Q871 T872K864-L868 VanDerWaalsContact O-CB 3.31Å; K864-L868 WeakPolarHBondContact O-CB 3.22Å; K864-L868 WeakPolarHBondContact O-CG 3.04Å; K864-L868 PolarHBondContact O-N 3.13Å; E865-L868 PolarHBondContact O-N 2.83Å; L868-Q871 CarbonylContact O-C 3.58Å; L868-T872 VanDerWaalsContact O-CB 3.26Å; L868-T872 WeakPolarHBondContact O-CB 3.33Å; L868-T872 PolarHBondContact O-N 3.44Å; L868-T872 PolarHBondContact O-OG1 2.82Å
869N86.2Confident85.5Confident92 Ų92105.5 Ų105.549%0.49250%0.501SS..Hα-helixtrans-70.1-44.5174.2-69.8-16.7000110.7E865 K866 T872 E873E865-N869 WeakPolarHBondContact O-CB 3.28Å; E865-N869 PolarHBondContact O-N 2.73Å; E865-N869 PolarHBondContact O-ND2 2.8Å; K866-N869 PolarHBondContact O-N 3.31Å; N869-T872 CarbonylContact O-C 3.5Å; N869-T872 WeakPolarHBondContact O-CA 3.41Å; N869-T872 PolarHBondContact O-N 2.94Å; N869-E873 PolarHBondContact O-N 3.2Å
870E86.4Confident85.4Confident128 Ų128104.4 Ų104.460%0.59850%0.496SS*.Hα-helixtrans-59.9-46.2173.1-173.3172.1-153.700111.5K866 F867 T872 E873 E874K866-E870 WeakPolarHBondContact O-CB 3.31Å; K866-E870 PolarHBondContact O-N 2.84Å; F867-E870 PolarHBondContact O-N 3.12Å; E870-T872 PolarHBondContact O-N 3.25Å; E870-E873 PolarHBondContact O-N 2.91Å; E870-E874 WeakPolarHBondContact O-CB 3.32Å; E870-E874 PolarHBondContact O-N 2.82Å
871Q82.4Confident85.3Confident68 Ų68105.6 Ų105.632%0.31850%0.504SS..Hα-helixtrans-67.3-11.4171.4-76.8-67.3-70.600114.1F867 L868 E874 R875F867-Q871 HydrophobicContact CD1-CG 4.3Å; F867-Q871 HydrophobicContact CD2-CG 4.43Å; F867-Q871 HydrophobicContact CE1-CG 3.84Å; F867-Q871 HydrophobicContact CE2-CG 3.98Å; F867-Q871 HydrophobicContact CZ-CG 3.66Å; F867-Q871 VanDerWaalsContact O-CB 3.25Å; F867-Q871 WeakPolarHBondContact O-CB 2.91Å; F867-Q871 WeakPolarHBondContact O-CG 3.38Å; F867-Q871 PolarHBondContact O-N 2.87Å; L868-Q871 CarbonylContact O-C 3.58Å; Q871-E874 PolarHBondContact NE2-OE2 3.36Å; Q871-R875 PolarHBondContact O-NE 2.81Å; Q871-R875 PolarHBondContact O-NH2 3.47Å; Q871-R875 VanDerWaalsContact O-NH2 3.11Å
872T87Confident85.4Confident51 Ų51107.9 Ų107.931%0.31351%0.51SS..Hα-helixtrans-96-38.6174.1-60.90000110.7L868 N869 E870 R875 E876L868-T872 VanDerWaalsContact O-CB 3.26Å; L868-T872 WeakPolarHBondContact O-CB 3.33Å; L868-T872 PolarHBondContact O-N 3.44Å; L868-T872 PolarHBondContact O-OG1 2.82Å; N869-T872 CarbonylContact O-C 3.5Å; N869-T872 WeakPolarHBondContact O-CA 3.41Å; N869-T872 PolarHBondContact O-N 2.94Å; E870-T872 PolarHBondContact O-N 3.25Å; T872-R875 CarbonylContact O-C 3.55Å; T872-R875 PolarHBondContact O-N 2.87Å; T872-R875 PolarHBondContact OG1-NH2 3.46Å; T872-E876 WeakPolarHBondContact O-CB 3.33Å; T872-E876 PolarHBondContact O-N 3.5Å
873E85.5Confident85.6Confident133 Ų133110.3 Ų110.362%0.62152%0.515SS*.Hα-helixtrans-63.9-40.4171.3-170.9174-175.500111.5N869 E870 R875 E876 L877N869-E873 PolarHBondContact O-N 3.2Å; E870-E873 PolarHBondContact O-N 2.91Å; E873-R875 PolarHBondContact O-N 2.85Å; E873-E876 PolarHBondContact O-N 3.39Å; E873-E876 VanDerWaalsContact O-N 3.16Å; E873-L877 HydrophobicContact CG-CD1 4.49Å; E873-L877 WeakPolarHBondContact O-CB 3.21Å; E873-L877 WeakPolarHBondContact O-CG 3.28Å; E873-L877 PolarHBondContact O-N 3.31Å
874E83.9Confident85.6Confident107 Ų107112.4 Ų112.450%0.552%0.517SS..Hα-helixtrans-59-45.4172-172.8169.6-135.800111.3E870 Q871 E876 L877 E878E870-E874 WeakPolarHBondContact O-CB 3.32Å; E870-E874 PolarHBondContact O-N 2.82Å; Q871-E874 PolarHBondContact NE2-OE2 3.36Å; E874-E876 PolarHBondContact O-N 3.29Å; E874-L877 PolarHBondContact O-N 3.12Å; E874-E878 WeakPolarHBondContact O-CG 3.21Å; E874-E878 PolarHBondContact O-N 2.78Å
875R84.4Confident85.6Confident108 Ų108109.7 Ų109.741%0.40851%0.506SS..Hα-helixtrans-72.8-22.8175.2-74.3179.9-67.613910.3113.8Q871 T872 E873 R879Q871-R875 PolarHBondContact O-NE 2.81Å; Q871-R875 PolarHBondContact O-NH2 3.47Å; Q871-R875 VanDerWaalsContact O-NH2 3.11Å; T872-R875 CarbonylContact O-C 3.55Å; T872-R875 PolarHBondContact O-N 2.87Å; T872-R875 PolarHBondContact OG1-NH2 3.46Å; E873-R875 PolarHBondContact O-N 2.85Å; R875-R879 WeakPolarHBondContact O-CB 3.27Å; R875-R879 VanDerWaalsContact O-CG 3.3Å; R875-R879 WeakPolarHBondContact O-CG 3.3Å; R875-R879 PolarHBondContact O-N 3.04Å; R875-R879 PolarHBondContact O-NH1 2.85Å
876E83Confident85.7Confident101 Ų101109.6 Ų109.647%0.47251%0.508SS..Hα-helixtrans-74.3-40.2172.5-153.967.3-109.900110.5T872 E873 E874 R879 E880T872-E876 WeakPolarHBondContact O-CB 3.33Å; T872-E876 PolarHBondContact O-N 3.5Å; E873-E876 PolarHBondContact O-N 3.39Å; E873-E876 VanDerWaalsContact O-N 3.16Å; E874-E876 PolarHBondContact O-N 3.29Å; E876-R879 VanDerWaalsContact CD-NH2 3.3Å; E876-R879 WeakPolarHBondContact O-CB 3.43Å; E876-R879 PolarHBondContact O-N 2.82Å; E876-R879 IonicContact OE1-CZ 2.82Å; E876-R879 IonicContact OE1-NE 3.97Å; E876-R879 PolarHBondContact OE1-NE 3.34Å; E876-R879 IonicContact OE1-NH2 2.82Å; E876-R879 IonicContact OE2-CZ 3.7Å; E876-R879 IonicContact OE2-NE 2.59Å; E876-R879 IonicContact OE2-NH2 3.94Å; E876-R879 PolarHBondContact OE2-NH2 2.79Å; E876-E880 PolarHBondContact O-N 3.15Å
877L86.1Confident85.7Confident112 Ų112106.9 Ų106.959%0.58650%0.501SS*.Hα-helixtrans-63.4-45.2171.7-74.8166.1000111.4E873 E874 R879 E880 E881E873-L877 HydrophobicContact CG-CD1 4.49Å; E873-L877 WeakPolarHBondContact O-CB 3.21Å; E873-L877 WeakPolarHBondContact O-CG 3.28Å; E873-L877 PolarHBondContact O-N 3.31Å; E874-L877 PolarHBondContact O-N 3.12Å; L877-R879 VanDerWaalsContact C-N 3.34Å; L877-R879 PolarHBondContact O-N 2.82Å; L877-E880 PolarHBondContact O-N 2.83Å; L877-E881 PolarHBondContact O-N 3.21Å
878E83.9Confident85.9Confident111 Ų111105.8 Ų105.852%0.51949%0.493SS..Hα-helixtrans-57.4-46.1170.9-73-173.8147.400111.4E874 E880 E881 F882E874-E878 WeakPolarHBondContact O-CG 3.21Å; E874-E878 PolarHBondContact O-N 2.78Å; E878-E880 PolarHBondContact O-N 2.7Å; E878-E881 PolarHBondContact O-N 2.73Å; E878-F882 WeakPolarHBondContact O-CB 3.26Å; E878-F882 VanDerWaalsContact O-CD2 3.23Å; E878-F882 WeakPolarHBondContact O-CD2 3.28Å; E878-F882 PolarHBondContact O-N 3.35Å
879R86.6Confident86.1Confident103 Ų103105.1 Ų105.139%0.38949%0.49SS..Hα-helixtrans-59.2-41.8176.8-84.1-172-69.5-85.38.7112.8R875 E876 L877 F882 R883R875-R879 WeakPolarHBondContact O-CB 3.27Å; R875-R879 VanDerWaalsContact O-CG 3.3Å; R875-R879 WeakPolarHBondContact O-CG 3.3Å; R875-R879 PolarHBondContact O-N 3.04Å; R875-R879 PolarHBondContact O-NH1 2.85Å; E876-R879 VanDerWaalsContact CD-NH2 3.3Å; E876-R879 WeakPolarHBondContact O-CB 3.43Å; E876-R879 PolarHBondContact O-N 2.82Å; E876-R879 IonicContact OE1-CZ 2.82Å; E876-R879 IonicContact OE1-NE 3.97Å; E876-R879 PolarHBondContact OE1-NE 3.34Å; E876-R879 IonicContact OE1-NH2 2.82Å; E876-R879 IonicContact OE2-CZ 3.7Å; E876-R879 IonicContact OE2-NE 2.59Å; E876-R879 IonicContact OE2-NH2 3.94Å; E876-R879 PolarHBondContact OE2-NH2 2.79Å; L877-R879 VanDerWaalsContact C-N 3.34Å; L877-R879 PolarHBondContact O-N 2.82Å; R879-F882 PolarHBondContact O-N 2.62Å; R879-R883 WeakPolarHBondContact O-CG 3.22Å; R879-R883 PolarHBondContact O-N 2.78Å
880E84.1Confident86.2Confident83 Ų83106.4 Ų106.439%0.38849%0.491SS..Hα-helixtrans-77.4-33.4179.1-17359.2-165.300112.3E876 L877 E878 F882 R883 I884E876-E880 PolarHBondContact O-N 3.15Å; L877-E880 PolarHBondContact O-N 2.83Å; E878-E880 PolarHBondContact O-N 2.7Å; E880-F882 VanDerWaalsContact C-N 3.34Å; E880-F882 PolarHBondContact O-N 2.77Å; E880-R883 PolarHBondContact O-N 3.35Å; E880-R883 VanDerWaalsContact OE2-CD 3.3Å; E880-R883 WeakPolarHBondContact OE2-CD 3.45Å; E880-R883 IonicContact OE2-CZ 3.78Å; E880-R883 IonicContact OE2-NE 2.73Å; E880-R883 PolarHBondContact OE2-NE 2.77Å; E880-R883 IonicContact OE2-NH2 3.19Å; E880-I884 HydrophobicContact CG-CD1 4.12Å; E880-I884 HydrophobicContact CG-CG1 4.45Å; E880-I884 WeakPolarHBondContact O-CB 2.89Å; E880-I884 VanDerWaalsContact O-CG1 3.24Å; E880-I884 WeakPolarHBondContact O-CG1 3.34Å; E880-I884 PolarHBondContact O-N 3.34Å
881E85.2Confident86.3Confident149 Ų149103.9 Ų103.970%0.69649%0.487SS*.Hα-helixtrans-60.2-44167.5-74.1-151.9161.500111.1L877 E878 R883 I884 E885L877-E881 PolarHBondContact O-N 3.21Å; E878-E881 PolarHBondContact O-N 2.73Å; E881-R883 PolarHBondContact O-N 2.78Å; E881-I884 PolarHBondContact O-N 3.1Å; E881-E885 WeakPolarHBondContact O-CB 3.33Å; E881-E885 PolarHBondContact O-N 2.8Å
882F86.1Confident86.5Confident150 Ų150105.2 Ų105.266%0.65849%0.493SS*.Hα-helixtrans-61.6-41.4172.5-87.7-66.4000112.3E878 R879 E880 E885 L886E878-F882 WeakPolarHBondContact O-CB 3.26Å; E878-F882 VanDerWaalsContact O-CD2 3.23Å; E878-F882 WeakPolarHBondContact O-CD2 3.28Å; E878-F882 PolarHBondContact O-N 3.35Å; R879-F882 PolarHBondContact O-N 2.62Å; E880-F882 VanDerWaalsContact C-N 3.34Å; E880-F882 PolarHBondContact O-N 2.77Å; F882-E885 PolarHBondContact O-N 2.82Å; F882-L886 VanDerWaalsContact O-CB 3.25Å; F882-L886 WeakPolarHBondContact O-CB 3.47Å; F882-L886 PolarHBondContact O-N 3.4Å
883R86.8Confident86.5Confident145 Ų145108.4 Ų108.455%0.54751%0.508SS..Hα-helixtrans-65.7-38175.3-78.9167.849.998.1-1.1112.4R879 E880 E881 N887R879-R883 WeakPolarHBondContact O-CG 3.22Å; R879-R883 PolarHBondContact O-N 2.78Å; E880-R883 PolarHBondContact O-N 3.35Å; E880-R883 VanDerWaalsContact OE2-CD 3.3Å; E880-R883 WeakPolarHBondContact OE2-CD 3.45Å; E880-R883 IonicContact OE2-CZ 3.78Å; E880-R883 IonicContact OE2-NE 2.73Å; E880-R883 PolarHBondContact OE2-NE 2.77Å; E880-R883 IonicContact OE2-NH2 3.19Å; E881-R883 PolarHBondContact O-N 2.78Å; R883-N887 VanDerWaalsContact O-CB 3.31Å; R883-N887 WeakPolarHBondContact O-CB 3.46Å; R883-N887 PolarHBondContact O-N 3.49Å; R883-N887 PolarHBondContact O-ND2 3.07Å
884I88.2Confident86.5Confident104 Ų104106.1 Ų106.153%0.53350%0.497SS..Hα-helixtrans-64.4-45.5175.1-71.5164.6000109.9E880 E881 N887 R888E880-I884 HydrophobicContact CG-CD1 4.12Å; E880-I884 HydrophobicContact CG-CG1 4.45Å; E880-I884 WeakPolarHBondContact O-CB 2.89Å; E880-I884 VanDerWaalsContact O-CG1 3.24Å; E880-I884 WeakPolarHBondContact O-CG1 3.34Å; E880-I884 PolarHBondContact O-N 3.34Å; E881-I884 PolarHBondContact O-N 3.1Å; I884-N887 PolarHBondContact O-N 2.96Å; I884-R888 WeakPolarHBondContact O-CB 3.5Å; I884-R888 PolarHBondContact O-N 3.35Å
885E86.5Confident86.4Confident80 Ų80106.6 Ų106.637%0.37450%0.501SS..Hα-helixtrans-67.7-39.1178-176.662-17300112.4E881 F882 R888 L889E881-E885 WeakPolarHBondContact O-CB 3.33Å; E881-E885 PolarHBondContact O-N 2.8Å; F882-E885 PolarHBondContact O-N 2.82Å; E885-R888 WeakPolarHBondContact O-CB 3.21Å; E885-R888 PolarHBondContact O-N 2.85Å; E885-R888 IonicContact OE1-CZ 2.71Å; E885-R888 IonicContact OE1-NE 3.39Å; E885-R888 PolarHBondContact OE1-NE 3.29Å; E885-R888 IonicContact OE1-NH2 2.76Å; E885-R888 PolarHBondContact OE1-NH2 2.8Å; E885-R888 WeakPolarHBondContact OE2-CD 3.48Å; E885-R888 IonicContact OE2-CZ 2.67Å; E885-R888 IonicContact OE2-NE 3.2Å; E885-R888 PolarHBondContact OE2-NE 3.48Å; E885-R888 IonicContact OE2-NH2 3.69Å; E885-L889 HydrophobicContact CG-CD1 4.21Å; E885-L889 WeakPolarHBondContact O-CB 3.29Å; E885-L889 WeakPolarHBondContact O-CG 3.45Å; E885-L889 PolarHBondContact O-N 3.36Å
886L87.6Confident86.5Confident112 Ų112108 Ų10859%0.58651%0.51SS*.Hα-helixtrans-65.9-40.4174.8-153.9171.5000110.7F882 L889 K890F882-L886 VanDerWaalsContact O-CB 3.25Å; F882-L886 WeakPolarHBondContact O-CB 3.47Å; F882-L886 PolarHBondContact O-N 3.4Å; L886-L889 PolarHBondContact O-N 2.86Å; L886-K890 WeakPolarHBondContact O-CB 3.5Å; L886-K890 PolarHBondContact O-N 3.05Å
887N87.8Confident86.5Confident85 Ų85108.3 Ų108.346%0.45551%0.51SS..Hα-helixtrans-66.2-34.7172.2-78.9-54.2000112.7R883 I884 S891R883-N887 VanDerWaalsContact O-CB 3.31Å; R883-N887 WeakPolarHBondContact O-CB 3.46Å; R883-N887 PolarHBondContact O-N 3.49Å; R883-N887 PolarHBondContact O-ND2 3.07Å; I884-N887 PolarHBondContact O-N 2.96Å; N887-S891 WeakPolarHBondContact O-CB 3.45Å; N887-S891 PolarHBondContact O-N 2.81Å; N887-S891 PolarHBondContact O-OG 3.4Å
888R90.5Very high86.2Confident99 Ų99106.4 Ų106.437%0.37451%0.506SS..Hα-helixtrans-63.7-50.8172.7-167.6-167.569.666.39.8110.9I884 E885 S891 E892I884-R888 WeakPolarHBondContact O-CB 3.5Å; I884-R888 PolarHBondContact O-N 3.35Å; E885-R888 WeakPolarHBondContact O-CB 3.21Å; E885-R888 PolarHBondContact O-N 2.85Å; E885-R888 IonicContact OE1-CZ 2.71Å; E885-R888 IonicContact OE1-NE 3.39Å; E885-R888 PolarHBondContact OE1-NE 3.29Å; E885-R888 IonicContact OE1-NH2 2.76Å; E885-R888 PolarHBondContact OE1-NH2 2.8Å; E885-R888 WeakPolarHBondContact OE2-CD 3.48Å; E885-R888 IonicContact OE2-CZ 2.67Å; E885-R888 IonicContact OE2-NE 3.2Å; E885-R888 PolarHBondContact OE2-NE 3.48Å; E885-R888 IonicContact OE2-NH2 3.69Å; R888-S891 WeakPolarHBondContact O-CB 3.32Å; R888-S891 PolarHBondContact O-N 2.87Å; R888-E892 IonicContact CZ-OE2 3.74Å; R888-E892 IonicContact NH1-OE1 2.71Å; R888-E892 PolarHBondContact NH1-OE1 2.87Å; R888-E892 IonicContact NH1-OE2 3.76Å; R888-E892 PolarHBondContact NH1-OE2 3.33Å; R888-E892 IonicContact NH2-OE2 3.13Å; R888-E892 PolarHBondContact O-N 3.47Å
889L89.2Confident86Confident87 Ų87105.5 Ų105.546%0.45550%0.502SS..Hα-helixtrans-63-40.5177.4-72.7168.6000112.1E885 L886 S891 E892 L893E885-L889 HydrophobicContact CG-CD1 4.21Å; E885-L889 WeakPolarHBondContact O-CB 3.29Å; E885-L889 WeakPolarHBondContact O-CG 3.45Å; E885-L889 PolarHBondContact O-N 3.36Å; L886-L889 PolarHBondContact O-N 2.86Å; L889-S891 VanDerWaalsContact C-N 3.34Å; L889-S891 PolarHBondContact O-N 2.75Å; L889-E892 PolarHBondContact O-N 3.24Å; L889-L893 WeakPolarHBondContact O-CB 3.37Å; L889-L893 PolarHBondContact O-N 3.46Å
890K89.7Confident85.4Confident119 Ų119105.7 Ų105.752%0.51751%0.508SS..Hα-helixtrans-62.2-40.6173.3-175.6175.5180177.60111.6L886 L893 E894L886-K890 WeakPolarHBondContact O-CB 3.5Å; L886-K890 PolarHBondContact O-N 3.05Å; K890-L893 PolarHBondContact O-N 2.83Å; K890-E894 WeakPolarHBondContact O-CB 3.41Å; K890-E894 PolarHBondContact O-N 3.23Å
891S87.7Confident84.8Confident75 Ų75107.1 Ų107.152%0.52452%0.516SS..Hα-helixtrans-66.5-39.6175.6-58.80000112.1N887 R888 L889 M895N887-S891 WeakPolarHBondContact O-CB 3.45Å; N887-S891 PolarHBondContact O-N 2.81Å; N887-S891 PolarHBondContact O-OG 3.4Å; R888-S891 WeakPolarHBondContact O-CB 3.32Å; R888-S891 PolarHBondContact O-N 2.87Å; L889-S891 VanDerWaalsContact C-N 3.34Å; L889-S891 PolarHBondContact O-N 2.75Å; S891-M895 WeakPolarHBondContact O-CB 3.17Å; S891-M895 PolarHBondContact O-N 2.86Å
892E87Confident84.1Confident95 Ų95103.1 Ų103.144%0.44451%0.505SS..Hα-helixtrans-66.8-37.7172.7-73.3-175.9161.800112.1R888 L889 M895 K896R888-E892 IonicContact CZ-OE2 3.74Å; R888-E892 IonicContact NH1-OE1 2.71Å; R888-E892 PolarHBondContact NH1-OE1 2.87Å; R888-E892 IonicContact NH1-OE2 3.76Å; R888-E892 PolarHBondContact NH1-OE2 3.33Å; R888-E892 IonicContact NH2-OE2 3.13Å; R888-E892 PolarHBondContact O-N 3.47Å; L889-E892 PolarHBondContact O-N 3.24Å; E892-M895 PolarHBondContact O-N 2.76Å; E892-K896 VanDerWaalsContact O-CB 3.28Å; E892-K896 WeakPolarHBondContact O-CB 3.44Å; E892-K896 VanDerWaalsContact O-CG 3.28Å; E892-K896 WeakPolarHBondContact O-CG 3.45Å; E892-K896 PolarHBondContact O-N 2.73Å
893L87.2Confident83.2Confident118 Ų118103.3 Ų103.362%0.61850%0.502SS*.Hα-helixtrans-66.6-43.5174.5-177.162.6000111.7L889 K890 M895 K896 K897L889-L893 WeakPolarHBondContact O-CB 3.37Å; L889-L893 PolarHBondContact O-N 3.46Å; K890-L893 PolarHBondContact O-N 2.83Å; L893-M895 VanDerWaalsContact C-N 3.3Å; L893-M895 PolarHBondContact O-N 3.43Å; L893-K896 PolarHBondContact O-N 3.34Å; L893-K897 WeakPolarHBondContact O-CB 3.22Å; L893-K897 PolarHBondContact O-N 2.81Å
894E84.3Confident81.9Confident85 Ų85103.2 Ų103.240%0.39751%0.506SS..Hα-helixtrans-64.5-37176-150.779.5-10900110.9K890 K897 S898K890-E894 WeakPolarHBondContact O-CB 3.41Å; K890-E894 PolarHBondContact O-N 3.23Å; E894-K897 IonicContact OE1-NZ 2.87Å; E894-K897 PolarHBondContact OE1-NZ 2.81Å; E894-S898 VanDerWaalsContact O-CB 3.3Å; E894-S898 WeakPolarHBondContact O-CB 3.39Å; E894-S898 PolarHBondContact O-N 3.45Å; E894-S898 PolarHBondContact O-OG 2.9Å
895M83.2Confident80.2Confident117 Ų117104.2 Ų104.258%0.57651%0.512SS*.Hα-helixtrans-68.6-42174-161.6-165.9-46.600112.1S891 E892 L893 S898 Q899S891-M895 WeakPolarHBondContact O-CB 3.17Å; S891-M895 PolarHBondContact O-N 2.86Å; E892-M895 PolarHBondContact O-N 2.76Å; L893-M895 VanDerWaalsContact C-N 3.3Å; L893-M895 PolarHBondContact O-N 3.43Å; M895-S898 PolarHBondContact O-N 2.75Å; M895-Q899 WeakPolarHBondContact O-CG 3.49Å; M895-Q899 PolarHBondContact O-N 3.41Å
896K85.3Confident78.5Confident139 Ų139106.3 Ų106.360%0.60452%0.524SS*.Hα-helixtrans-65.8-39.4174.2-81.8-76.9-171.1168.80112.5E892 L893 Q899 M900E892-K896 VanDerWaalsContact O-CB 3.28Å; E892-K896 WeakPolarHBondContact O-CB 3.44Å; E892-K896 VanDerWaalsContact O-CG 3.28Å; E892-K896 WeakPolarHBondContact O-CG 3.45Å; E892-K896 PolarHBondContact O-N 2.73Å; L893-K896 PolarHBondContact O-N 3.34Å; K896-Q899 WeakPolarHBondContact O-CB 3.45Å; K896-Q899 PolarHBondContact O-N 2.76Å; K896-M900 WeakPolarHBondContact O-CB 3.43Å; K896-M900 PolarHBondContact O-N 3.15Å
897K83.9Confident76.5Confident107 Ų107108.1 Ų108.147%0.46554%0.535SS..Hα-helixtrans-66.9-39.4174179.6179.4164.6-155.80111.1L893 E894 M900 M901L893-K897 WeakPolarHBondContact O-CB 3.22Å; L893-K897 PolarHBondContact O-N 2.81Å; E894-K897 IonicContact OE1-NZ 2.87Å; E894-K897 PolarHBondContact OE1-NZ 2.81Å; K897-M900 PolarHBondContact O-N 3.46Å; K897-M901 WeakPolarHBondContact O-CB 3.45Å; K897-M901 VanDerWaalsContact O-CG 3.29Å; K897-M901 WeakPolarHBondContact O-CG 3.38Å; K897-M901 PolarHBondContact O-N 3.38Å
898S80.3Confident74.4Confident72 Ų72109.8 Ų109.850%0.50355%0.548SS..Hα-helixtrans-63.9-42.7171.3-60.30000111.8E894 M895 S902E894-S898 VanDerWaalsContact O-CB 3.3Å; E894-S898 WeakPolarHBondContact O-CB 3.39Å; E894-S898 PolarHBondContact O-N 3.45Å; E894-S898 PolarHBondContact O-OG 2.9Å; M895-S898 PolarHBondContact O-N 2.75Å; S898-S902 WeakPolarHBondContact O-CB 3.35Å; S898-S902 PolarHBondContact O-N 3.16Å; S898-S902 PolarHBondContact O-OG 3.2Å
899Q78.2Confident71.6Confident92 Ų92109.8 Ų109.843%0.4356%0.563SS.*Hα-helixtrans-60.9-49.9171.4-76.3179.6-5.700111.4M895 K896 M901 S902 Y903M895-Q899 WeakPolarHBondContact O-CG 3.49Å; M895-Q899 PolarHBondContact O-N 3.41Å; K896-Q899 WeakPolarHBondContact O-CB 3.45Å; K896-Q899 PolarHBondContact O-N 2.76Å; Q899-M901 VanDerWaalsContact C-N 3.34Å; Q899-M901 PolarHBondContact O-N 3.35Å; Q899-S902 WeakPolarHBondContact CA-OG 3.41Å; Q899-S902 CarbonylContact O-C 3.54Å; Q899-S902 WeakPolarHBondContact O-CA 3.46Å; Q899-S902 PolarHBondContact O-N 2.84Å; Q899-S902 PolarHBondContact O-OG 3.48Å; Q899-Y903 WeakPolarHBondContact O-CD2 3.41Å; Q899-Y903 PolarHBondContact O-N 2.82Å
900M74.2Confident69.1Low106 Ų106112.6 Ų112.652%0.52258%0.579SS.*Hα-helixtrans-63-37.1179.9-175.4171.562.700112.6K896 K897 Y903 K904K896-M900 WeakPolarHBondContact O-CB 3.43Å; K896-M900 PolarHBondContact O-N 3.15Å; K897-M900 PolarHBondContact O-N 3.46Å; M900-Y903 PolarHBondContact O-N 3.33Å; M900-K904 WeakPolarHBondContact O-CB 3.1Å; M900-K904 PolarHBondContact O-N 2.88Å
901M71.2Confident66.5Low114 Ų114112.6 Ų112.656%0.56259%0.589SS**Hα-helixtrans-62.1-44.9169.5-77.8-72.2-73.800111.1K897 Q899 Y903 K904 L905K897-M901 WeakPolarHBondContact O-CB 3.45Å; K897-M901 VanDerWaalsContact O-CG 3.29Å; K897-M901 WeakPolarHBondContact O-CG 3.38Å; K897-M901 PolarHBondContact O-N 3.38Å; Q899-M901 VanDerWaalsContact C-N 3.34Å; Q899-M901 PolarHBondContact O-N 3.35Å; M901-Y903 VanDerWaalsContact C-N 3.27Å; M901-Y903 PolarHBondContact O-N 2.94Å; M901-K904 PolarHBondContact O-N 3.31Å; M901-L905 WeakPolarHBondContact O-CB 3.3Å; M901-L905 PolarHBondContact O-N 2.78Å
902S72Confident64Low65 Ų65115.8 Ų115.846%0.45560%0.6SS.*Hα-helixtrans-66.9-24.4177.373.40000114.1S898 Q899S898-S902 WeakPolarHBondContact O-CB 3.35Å; S898-S902 PolarHBondContact O-N 3.16Å; S898-S902 PolarHBondContact O-OG 3.2Å; Q899-S902 WeakPolarHBondContact CA-OG 3.41Å; Q899-S902 CarbonylContact O-C 3.54Å; Q899-S902 WeakPolarHBondContact O-CA 3.46Å; Q899-S902 PolarHBondContact O-N 2.84Å; Q899-S902 PolarHBondContact O-OG 3.48Å
903Y66.4Low61.6Low153 Ų153116.5 Ų116.560%0.662%0.615SS**Hα-helixtrans-81.1-44.7170.3-77.9-67.8000112.2Q899 M900 M901 L905 L906 D907Q899-Y903 WeakPolarHBondContact O-CD2 3.41Å; Q899-Y903 PolarHBondContact O-N 2.82Å; M900-Y903 PolarHBondContact O-N 3.33Å; M901-Y903 VanDerWaalsContact C-N 3.27Å; M901-Y903 PolarHBondContact O-N 2.94Å; Y903-L905 VanDerWaalsContact C-N 3.25Å; Y903-L905 PolarHBondContact O-N 3.06Å; Y903-L906 WeakPolarHBondContact O-CA 3.43Å; Y903-L906 WeakPolarHBondContact O-CB 3.32Å; Y903-L906 PolarHBondContact O-N 3.2Å; Y903-D907 PolarHBondContact O-N 3.39Å
904K59Low58.8Low144 Ų144116 Ų11663%0.62662%0.621SS**Hα-helixtrans-64-28.2176-78.2-169172.9-173.20113.2M900 M901 L906M900-K904 WeakPolarHBondContact O-CB 3.1Å; M900-K904 PolarHBondContact O-N 2.88Å; M901-K904 PolarHBondContact O-N 3.31Å; K904-L906 PolarHBondContact O-N 3.17Å
905L53.2Low56.6Low125 Ų125118.4 Ų118.465%0.65464%0.642SS**THydrogen-bonded Turntrans-77.1-3.4170.3-81.1161.9000114.1M901 Y903M901-L905 WeakPolarHBondContact O-CB 3.3Å; M901-L905 PolarHBondContact O-N 2.78Å; Y903-L905 VanDerWaalsContact C-N 3.25Å; Y903-L905 PolarHBondContact O-N 3.06Å
906L50.9Low54.5Low123 Ų123118.5 Ų118.564%0.64465%0.649SS**THydrogen-bonded Turntrans-107.5-21.8-177.2-13971.6000114Y903 K904Y903-L906 WeakPolarHBondContact O-CA 3.43Å; Y903-L906 WeakPolarHBondContact O-CB 3.32Å; Y903-L906 PolarHBondContact O-N 3.2Å; K904-L906 PolarHBondContact O-N 3.17Å
907D44.5Very low52.2Low151 Ų151116.7 Ų116.781%0.80765%0.651SS**SBendtrans-92.60.4178.9-80.2-33.6000114Y903Y903-D907 PolarHBondContact O-N 3.39Å
908T43.8Very low49.7Very low119 Ų119119.1 Ų119.173%0.7367%0.668SS**  trans-113.355.9174.264.90000111.9
909S32.8Very low47.3Very low99 Ų99122 Ų12269%0.69268%0.678SS**  trans-120.5101.4176.969.60000112.3
910D37.1Very low45.2Very low147 Ų147124.9 Ų124.979%0.78670%0.695SS**  trans-145.4128.5163.6-126.7-23.3000109.8
911T34.7Very low43Very low118 Ų118126.9 Ų126.972%0.72470%0.701SS**  trans55.9130.3169.463.80000119
912D35.2Very low41Very low143 Ų143127.9 Ų127.977%0.76570%0.704SS**  cis-167.2162.42.1-125.3-33.4000113.1
913S35.9Very low38.9Very low109 Ų109131.6 Ų131.676%0.76272%0.724SS**  trans62.9129.4165.972.90000119.6
914C29Very low37.1Very low109 Ų109128.2 Ų128.274%0.73674%0.736SS**  cis119.1104.2-1.4-173.20000114.3
915T38.6Very low35.6Very low135 Ų135129.9 Ų129.983%0.82875%0.746SS**  -176.4102.3125.521.20000114.9
916T38Very low34.3Very low119 Ų119130.1 Ų130.173%0.7375%0.748SS**  trans-17.4175.2138.120.10000120.2
917P36.8Very low33.4Very low101 Ų101131 Ų13166%0.65675%0.753SS**  cis-145-172.22.527.2-0.1000118.3
918L31.2Very low32.6Very low157 Ų157132.3 Ų132.382%0.82275%0.752SS**  trans89.7138.9154.5-51.2-178.6000118.6
919N31.5Very low31.9Very low132 Ų132132.6 Ų132.671%0.70675%0.754SS**  cis137.9161.8-15.6-176.225.1000110.5
920I33.8Very low32Very low154 Ų154132.4 Ų132.479%0.7975%0.75SS**  trans83.8143.9-178.5-50.9165.1000113.7
921K28.1Very low31.6Very low148 Ų148134.8 Ų134.864%0.64376%0.756SS**  cis173.7153.7-43.5-122.6-175153.7-146.60108.3
922E27.9Very low31.3Very low135 Ų135139.9 Ų139.963%0.63176%0.762SS**  trans65111.4146.6-73.3166.7166.200122
923T28.4Very low31.3Very low142 Ų142140.5 Ų140.587%0.87176%0.764SS**  trans64.9120.7134.3620000120.9
924G29.6Very low31.5Very low83 Ų83139.9 Ų139.986%0.85676%0.759SS**  trans-171.3128.1164.200000112.2
925Q27.3Very low31.5Very low179 Ų179142 Ų14284%0.83676%0.764SS**  trans-94.8143.8-172.2-79.5-178.8-76.500114.4
926N25.4Very low31Very low130 Ų130144 Ų14470%0.69577%0.768SS**  trans70.4113.9144.2-55.2-5.5000121.5
927N31.8Very low30.6Very low141 Ų141146.7 Ų146.775%0.75477%0.77SS**  trans71.2144.7142.7-63.918.6000121.7
928F27Very low30.3Very low178 Ų178149.3 Ų149.378%0.78178%0.775SS**  trans75.3140.1163-79.5-71.4000121
929V29.5Very low30.1Very low126 Ų126145 Ų14576%0.76477%0.768SS**  trans77.3134.9143.2157.40000119.1
930P34.4Very low29.9Very low95 Ų95146.6 Ų146.662%0.61777%0.771SS**  cis-138-170.8-26.842-24.7000113.9W932P930-W932 VanDerWaalsContact O-CD1 3.29Å
931H28.8Very low29.6Very low197 Ų197146 Ų14691%0.91277%0.769SS**  trans-29.5128.4167-95-101.6000115.6
932W28.7Very low29.6Very low225 Ų225143.3 Ų143.385%0.85277%0.768SS**  trans-148.8133.5-177.756.8-71.5000110.1P930P930-W932 VanDerWaalsContact O-CD1 3.29Å
933I36.1Very low29.7Very low156 Ų156144.5 Ų144.580%0.877%0.773SS**  cis-130.6127.7-9.4-89.6144.8000108
934S40Very low29.7Very low95 Ų95143.1 Ų143.166%0.66476%0.761SS**  trans-89.1178.6166-60.50000110.4
935D27.7Very low29.5Very low155 Ų155145.1 Ų145.183%0.82975%0.752SS**  trans66.480.2162.8-51.1-28.5000117.2
936L30Very low29.6Very low176 Ų176142.6 Ų142.692%0.92175%0.749SS**  trans-144.8103.4132.3-114168.3000112.7
937K29.3Very low29.7Very low175 Ų175143.9 Ų143.976%0.76175%0.754SS**  trans-60.7166172-172.9-178.8-177.5174.50112
938M28.8Very low29.5Very low156 Ų156147 Ų14777%0.76876%0.761SS**  trans75.9133.7178.1-38.5-65.5-76.600113.2
939G28.2Very low29.6Very low66 Ų66143.6 Ų143.668%0.6876%0.759SS**  cis124.2149.6-4.500000113.3
940H27.7Very low29.6Very low166 Ų166144.7 Ų144.777%0.76976%0.761SS**  trans71.5131.5170.2-82.8-77.4000120
941L27.9Very low29.2Very low143 Ų143147.5 Ų147.575%0.74977%0.769SS**  trans77.2123.2137.6-68166.7000120.4
942C28Very low29.3Very low91 Ų91146.9 Ų146.962%0.61577%0.766SS**  trans77.4151.3135-65.10000119.1
943Q29Very low29.3Very low159 Ų159143.3 Ų143.374%0.74377%0.77SS**  cis-162.4158.5-12.8-114.4164.9-42.400110.2
944N27.9Very low28.9Very low113 Ų113143.3 Ų143.360%0.60477%0.771SS**  trans60.4119.7147.7-74.456.8000121.7
945D27Very low28.3Very low125 Ų125144.9 Ų144.967%0.66878%0.776SS**  7899.2123.3-51.2-11.3000121.5
946T28Very low28.4Very low127 Ų127146.6 Ų146.678%0.77978%0.779SS**  78149.8128.6-410000118.6
947I28.5Very low28.3Very low157 Ų157144.1 Ų144.181%0.80578%0.777SS**SBendtrans79.2124.8179.7-44.3174.1000113.6
948K28Very low28.3Very low205 Ų205143.4 Ų143.489%0.89177%0.774SS**  trans72.388.6-176.4-63.6-173.1175.6-173.80117.7
949S27.8Very low28.4Very low108 Ų108140.3 Ų140.376%0.75577%0.767SS**  trans-115.4-17.8158.443.10000114.3
950N29.1Very low28.6Very low148 Ų148147.6 Ų147.679%0.79177%0.774SS**SBendtrans-95.70.5-156.2-64.219.6000116.7
951I27.3Very low28.9Very low154 Ų154143.4 Ų143.479%0.7976%0.757SS**SBendtrans-144.145.6-176.7-35.5177.6000113.4
952Q30.4Very low28.9Very low184 Ų184143.1 Ų143.186%0.8676%0.755SS**  trans-150.841.2170.6-146.4155.6-2.800118.7
953T29.3Very low29.1Very low150 Ų150145.2 Ų145.292%0.9277%0.765SS**  trans-12660.6160-44.50000110
954L27.3Very low29Very low156 Ų156141.8 Ų141.882%0.81776%0.758SS**  trans-126.360.6-170.2-169.572.9000112.8
955V27.7Very low29.1Very low129 Ų129147.9 Ų147.978%0.78277%0.773SS**  trans-151136.1160.2-163.30000108.3
956Q28.3Very low29.2Very low190 Ų190148.6 Ų148.689%0.88878%0.777SS**SBendtrans72.6120.4-175-45172.135.600112
957S28.3Very low29.4Very low125 Ų125151.7 Ų151.787%0.87478%0.78SS**  cis-140.5149.12.445.20000111.5
958K30Very low29.5Very low160 Ų160149.8 Ų149.870%0.69678%0.777SS**  trans-152.7142.8-170.3-177.1175.3-169.7-81.20113.7D961K958-D961 IonicContact NZ-OD1 3.39Å; K958-D961 PolarHBondContact NZ-OD1 2.77Å; K958-D961 IonicContact NZ-OD2 3.75Å; K958-D961 PolarHBondContact NZ-OD2 2.67Å
959S30Very low29.6Very low91 Ų91146.9 Ų146.964%0.63677%0.772SS**  trans169.3115.8169.5152.70000108.9
960W33.6Very low29.8Very low219 Ų219149.6 Ų149.683%0.8378%0.778SS**  cis-142.6137.6-8.7-7493000105.6
961D32.9Very low30Very low77 Ų77146.9 Ų146.941%0.41277%0.77SS.*  58.8110.888.8-53.8-62.2000114.2K958K958-D961 IonicContact NZ-OD1 3.39Å; K958-D961 PolarHBondContact NZ-OD1 2.77Å; K958-D961 IonicContact NZ-OD2 3.75Å; K958-D961 PolarHBondContact NZ-OD2 2.67Å
962I29.2Very low30.2Very low138 Ų138146.1 Ų146.171%0.70877%0.768SS**  cis85.5120.344.7-61.6166.2000113.8
963V31.3Very low30.4Very low134 Ų134143.6 Ų143.681%0.81276%0.756SS**  trans-136.1133.6152178.20000108
964S28.1Very low30.5Very low87 Ų87141.6 Ų141.661%0.60874%0.74SS**  trans-149.1143.7174.961.20000110.7
965W30Very low30.6Very low241 Ų241140.1 Ų140.191%0.91373%0.73SS**  trans-110.9154.9170.9-79.475.7000111.2
966N28.8Very low30.7Very low141 Ų141140.1 Ų140.175%0.75473%0.725SS**PPolyproline II helixtrans-102.5151.5-153.7-56.5-73.6000114.8
967K32.4Very low30.8Very low191 Ų191135.4 Ų135.483%0.8371%0.713SS**PPolyproline II helixtrans-74.5154.9155.8-92.1-172.3174.2-1770111.6
968P29.2Very low30.8Very low117 Ų117133.1 Ų133.176%0.7671%0.708SS**PPolyproline II helixtrans-101.5163.4145.836-28.6000112.1
969N30.8Very low30.6Very low145 Ų145132.1 Ų132.178%0.77571%0.711SS**  trans-110161.4172.7-65.4-16.2000110.5
970D32Very low30.5Very low165 Ų165134 Ų13488%0.88271%0.712SS**  trans178.2143.9147.5-86.5-22.9000106.3
971S33.3Very low30.2Very low90 Ų90129.9 Ų129.963%0.62971%0.706SS**  cis-162.4142.3-8.156.60000111.4
972D32.2Very low29.9Very low138 Ų138132.7 Ų132.774%0.73872%0.721SS**  trans55.7112.5138.8-52.5-8.3000123.8
973E34.7Very low29.9Very low132 Ų132135 Ų13562%0.61773%0.726SS**  88.4147.3122.8-69.5-169.2160.500125.1E1599 P1601E973-E1599 WeakPolarHBondContact CA-OE2 3.05Å; E973-P1601 WeakPolarHBondContact O-CD 3.14Å; E973-P1601 WeakPolarHBondContact O-CG 3.37Å
974D31.2Very low29.6Very low107 Ų107138.5 Ų138.557%0.57273%0.725SS**  trans100.178.3147.2-96.33.7000122E1599D974-E1599 VanDerWaalsContact N-CD 3.29Å; D974-E1599 PolarHBondContact N-OE2 2.83Å
975M29.7Very low29.5Very low126 Ų126138.3 Ų138.362%0.62172%0.724SS**  93131.9105.7-90.1-154.8170.800126.1E1599M975-E1599 WeakPolarHBondContact CA-OE1 3.37Å; M975-E1599 WeakPolarHBondContact CG-OE1 3.41Å; M975-E1599 PolarHBondContact N-OE1 3.18Å
976I29.4Very low29.3Very low129 Ų129134.6 Ų134.666%0.66272%0.717SS**  trans8484.5143.7-62.6162.6000119.5
977S29.5Very low29.1Very low91 Ų91134.4 Ų134.464%0.63672%0.716SS**  12.3109.8116.3-169.50000119.1
978G28.7Very low28.7Very low76 Ų76133.5 Ų133.578%0.78471%0.714SS**  trans-99.6-25.6-172.400000119.3
979N26.5Very low28.6Very low140 Ų140138.4 Ų138.475%0.74972%0.719SS**  trans71.3166.2164.6-148.4-9.4000119.7
980I27.8Very low28.4Very low130 Ų130138.8 Ų138.867%0.66771%0.714SS**  trans80.788.6157.6-61.9170.2000119.9
981N26.2Very low28.1Very low132 Ų132141.4 Ų141.471%0.70671%0.713SS**  67.8108.3116.7-63.7-31.6000123.4
982N26.8Very low27.6Very low136 Ų136140.4 Ų140.473%0.72770%0.703SS**  55.384.7105.6-169.9-0.5000118.1
983K29.3Very low27.2Very low186 Ų186139.9 Ų139.981%0.80970%0.7SS**  trans-144.3131.5135.3-89.8111.2-166.5170.90107.2
984R25.4Very low26.9Very low209 Ų209141.2 Ų141.279%0.78971%0.706SS**  73115.655.5-175.7-129.1-179.4143.85.4111.4
985S25Very low26.6Very low83 Ų83143.9 Ų143.958%0.5872%0.715SS**  trans62.5147.7168.240.30000116.2
986Q25.4Very low26.4Very low163 Ų163144 Ų14476%0.76272%0.719SS**  cis-164.1158.9-13-114.5161.5-54.700107.3
987N24.7Very low26.2Very low137 Ų137144 Ų14473%0.73372%0.72SS**  trans15.9141.7152.9-50.53.6000120.1
988Q24.4Very low25.8Very low172 Ų172150.4 Ų150.480%0.80473%0.73SS**  trans88.9129.4-175.1-54.3159.5-0.100111.3
989Y26.9Very low26.1Very low220 Ų220153.8 Ų153.886%0.86373%0.726SS**  cis-97.7153.25.4-47.1-98000110.6
990K26.9Very low26Very low153 Ų153153.4 Ų153.467%0.66573%0.731SS**  cis75.9563.9-148.8178.6-171.9-83.90118.6V992K990-V992 HydrophobicContact CD-CG2 4.24Å; K990-V992 HydrophobicContact CG-CB 4.34Å; K990-V992 HydrophobicContact CG-CG2 3.51Å
991Y25.4Very low25.8Very low220 Ų220155.2 Ų155.286%0.86373%0.73SS**  -99.2130.5119.6-82.9-97.9000105.7
992V23.9Very low25.7Very low69 Ų69150.1 Ų150.142%0.41870%0.704SS.*  cis71.4107.811.2171.10000114.6K990K990-V992 HydrophobicContact CD-CG2 4.24Å; K990-V992 HydrophobicContact CG-CB 4.34Å; K990-V992 HydrophobicContact CG-CG2 3.51Å
993D24.1Very low26Very low127 Ų127149.2 Ų149.268%0.67970%0.698SS**  trans59.2171.1167.4-42.4-19.7000114.3
994Q27Very low25.8Very low160 Ų160140.5 Ų140.575%0.74866%0.66SS**  cis-114.4153.5-17.6-85.691.139.200107
995Q25.4Very low26Very low162 Ų162135.6 Ų135.676%0.75765%0.654SS**  cis66.994.348.2-167177.312.600115.1
996N26.3Very low26Very low130 Ų130137.2 Ų137.270%0.69566%0.655SS**  trans66165.3155.1-62.116.2000119.7
997D24.3Very low25.9Very low129 Ų129134 Ų13469%0.6965%0.651SS**  trans76.2102.4152.2-58.5-36.2000120.7
998W22Very low26.1Very low224 Ų224133.7 Ų133.785%0.84864%0.644SS**  trans57.3113.9130.5-69.191.7000120.7
999Q34.2Very low26.4Very low148 Ų148133.3 Ų133.369%0.69264%0.642SS**  trans83.6127.1156-53.5-173.53.100119.5
1000P24.1Very low26.5Very low131 Ų131126.8 Ų126.885%0.85163%0.629SS**  trans-124.961.9137.538.9-30.3000112.2T1002P1000-T1002 PolarHBondContact O-N 2.87Å
1001Y23.8Very low26.6Very low169 Ų169126.3 Ų126.366%0.66363%0.634SS**  trans-62.9123146.6-131-63.8000105.9
1002T23.5Very low26.8Very low25 Ų25124.4 Ų124.415%0.15363%0.63CS.*  trans168.194148.6-85.30000116.7P1000 P1004 T1511 K1514 Y1515P1000-T1002 PolarHBondContact O-N 2.87Å; T1002-P1004 VanDerWaalsContact O-CD 3.24Å; T1002-P1004 WeakPolarHBondContact O-CD 3.34Å; T1002-T1511 HydrophobicContact CG2-CG2 4.46Å; T1002-T1511 WeakPolarHBondContact O-CG2 3.37Å; T1002-K1514 HydrophobicContact CG2-CB 3.56Å; T1002-K1514 HydrophobicContact CG2-CD 3.61Å; T1002-K1514 HydrophobicContact CG2-CG 3.52Å; T1002-K1514 PolarHBondContact OG1-NZ 2.82Å; T1002-Y1515 HydrophobicContact CG2-CD2 4.26Å; T1002-Y1515 HydrophobicContact CG2-CE2 4.16Å
1003I32.8Very low27.2Very low116 Ų116126.7 Ų126.760%0.59564%0.644SS**  trans-70.6131.7165.4-52.4151.4000111.7K1514I1003-K1514 WeakPolarHBondContact O-CD 3.21Å
1004P26.1Very low27.5Very low3 Ų3127 Ų1272%0.01965%0.646CS.*  trans-12514514237.6-42.8000116T1002 K1510 V1513 K1514T1002-P1004 VanDerWaalsContact O-CD 3.24Å; T1002-P1004 WeakPolarHBondContact O-CD 3.34Å; P1004-K1510 VanDerWaalsContact CD-C 3.46Å; P1004-K1510 WeakPolarHBondContact CD-O 3.5Å; P1004-K1510 HydrophobicContact CG-CB 4.07Å; P1004-K1510 WeakPolarHBondContact CG-O 3.46Å; P1004-K1510 WeakPolarHBondContact O-CB 3.38Å; P1004-K1510 WeakPolarHBondContact O-CG 3.16Å; P1004-K1510 PolarHBondContact O-N 2.71Å; P1004-K1510 VanDerWaalsContact O-N 3.1Å; P1004-V1513 HydrophobicContact CB-CB 3.64Å; P1004-V1513 HydrophobicContact CB-CG1 4.04Å; P1004-V1513 HydrophobicContact CG-CB 3.57Å; P1004-V1513 HydrophobicContact CG-CG1 4.49Å; P1004-K1514 HydrophobicContact CB-CB 3.67Å; P1004-K1514 VanDerWaalsContact CB-N 3.31Å; P1004-K1514 HydrophobicContact CG-CB 4.04Å; P1004-K1514 VanDerWaalsContact CG-N 3.31Å
1005T28.7Very low27.5Very low106 Ų106124.1 Ų124.165%0.6564%0.643SS**  53.6138.369.2-22.50000111.3V1513T1005-V1513 WeakPolarHBondContact O-CB 3.45Å; T1005-V1513 VanDerWaalsContact O-CG1 3.23Å; T1005-V1513 WeakPolarHBondContact O-CG1 3.41Å
1006I25.3Very low27.8Very low118 Ų118121.9 Ų121.961%0.60564%0.641SS**  cis-142.6137.629.9-71.1163.2000110.1E1008 V1513I1006-E1008 HydrophobicContact CG2-CG 4.45Å; I1006-V1513 HydrophobicContact CB-CG1 4.25Å; I1006-V1513 HydrophobicContact CD1-CG1 3.38Å; I1006-V1513 HydrophobicContact CG1-CG1 3.58Å
1007S24.6Very low28Very low96 Ų96121.7 Ų121.767%0.67164%0.644SS**  172.6137.3127.1167.50000109.7
1008E28Very low28.2Very low129 Ų129122.1 Ų122.160%0.60365%0.646SS**  cis-163.2155.3-14.3-114.2158.7143.100110.2I1006I1006-E1008 HydrophobicContact CG2-CG 4.45Å
1009H30.6Very low28.6Very low164 Ų164118 Ų11876%0.75965%0.646SS**  trans66.4149.2154.8-57.6-16.6000119.8
1010S28.9Very low28.4Very low83 Ų83116.7 Ų116.758%0.5865%0.653SS**  cis-171.8150.1-2160.30000112.1
1011N28.8Very low28.9Very low144 Ų144113.2 Ų113.277%0.7764%0.642SS**  trans69.9151.2151.6-58.2-29.2000117.9
1012F29.7Very low29.2Very low179 Ų179111.2 Ų111.279%0.78564%0.643SS**  cis-147.1179.38.2-156.8-106000111.9
1013V33.2Very low29.7Very low118 Ų118119.6 Ų119.672%0.71567%0.673SS**  trans-124-177.6-164.6-166.70000112.5
1014D29.5Very low29.5Very low133 Ų133119.5 Ų119.571%0.71167%0.673SS**  trans90143.6161.2-61.2-39.9000119.6
1015S27.9Very low29.6Very low99 Ų99125.4 Ų125.469%0.69270%0.703SS**  cis-167.2151.9-14.450.30000114.7
1016V31.4Very low29.5Very low116 Ų116127.8 Ų127.870%0.70371%0.707SS**  trans6134.4148.7-150.20000119.2
1017T30.4Very low29.7Very low126 Ų126127.5 Ų127.577%0.77371%0.707SS**  178.4124.791.833.60000118
1018N28.3Very low29.8Very low137 Ų137133 Ų13373%0.73371%0.714SS**  40.3156.3129.8-65.6-12.8000127.3
1019T31.7Very low30.2Very low137 Ų137131.3 Ų131.384%0.8471%0.714SS**  trans85.9148160.370.90000118.5
1020S29.3Very low29.9Very low121 Ų121130.1 Ų130.185%0.84671%0.714SS**  cis-179.8159.4-29.453.80000108
1021G34.8Very low30.1Very low59 Ų59134.9 Ų134.961%0.60873%0.727SS**  cis167.6169-4.900000111.9
1022N29.5Very low30.2Very low127 Ų127135.3 Ų135.368%0.67973%0.727SS**  trans64.1158.2168.6-51.618.1000117
1023Y34.1Very low30.2Very low201 Ų201133 Ų13379%0.78872%0.723SS**  cis-154.6173.920.7-79.5-82.1000109
1024D28.3Very low30.1Very low114 Ų114131.4 Ų131.461%0.6171%0.714SS**  cis-173.5136.7-44.4-118.2-15000111
1025I28.6Very low30.1Very low126 Ų126132.9 Ų132.965%0.64671%0.714SS**  trans66113.1132.1-74.2172.8000122.4
1026Q26.9Very low30.4Very low156 Ų156137 Ų13773%0.72972%0.723SS**  99.3136.5126.4-89.2179.620.200127.4
1027N29Very low30.3Very low112 Ų112138.3 Ų138.360%0.59973%0.73SS**  trans97.297.5132.7-67.9-13.6000124.7
1028Y26.6Very low30.3Very low212 Ų212138 Ų13883%0.83172%0.719SS**  80.9164.2113.7-89.5-52.5000121.5
1029P36.4Very low30.7Very low93 Ų93138.2 Ų138.260%0.60472%0.724SS**  -136.6-153-114.250.8-35000117.3
1030D25.4Very low30.6Very low140 Ų140134.3 Ų134.375%0.74970%0.697SS**  trans94.4159.1153.9-70.9-18000121.9
1031E32.5Very low30.6Very low182 Ų182134.1 Ų134.185%0.8569%0.687SS**  trans67.4115.9177.6-55.9-172.5148.200116
1032I30.4Very low30.2Very low153 Ų153134 Ų13479%0.78567%0.673SS**  cis72101.325.5-42.3176.1000114.9
1033D30.5Very low30.3Very low131 Ų131132.1 Ų132.170%0.70167%0.669SS**  164.8161.1105.9-16110.7000113.8
1034T30.2Very low29.9Very low85 Ų85130.4 Ų130.452%0.52167%0.674SS.*  trans89.4101150.763.30000124.8
1035K29.8Very low30.1Very low164 Ų164129.1 Ų129.171%0.71368%0.679SS**  68.7104.5120-61.9159.7-169.9144.90121.2
1036Q34.8Very low30.1Very low186 Ų186133.5 Ų133.587%0.86969%0.689SS**  177.1111.9123.2-95.7150.8110.100110.3
1037V29.9Very low30.1Very low142 Ų142132.6 Ų132.686%0.86169%0.688SS**  75.112591.1164.30000113.8
1038K30Very low30.1Very low121 Ų121135.3 Ų135.353%0.52670%0.697SS.*  cis-161.9103.1-9.9172.8-179.1-176.6174.30109.9L668 D669L668-K1038 PolarHBondContact O-NZ 2.82Å; D669-K1038 IonicContact OD2-NZ 3.19Å
1039V35.3Very low30Very low141 Ų141131.7 Ų131.786%0.85569%0.688SS**SBendtrans-145145.3157.3-177.30000104.8
1040I30.4Very low29.6Very low54 Ų54134.4 Ų134.428%0.27769%0.692SS.*  trans-121166.3-149.1-61.7176.3000110.5D665 L668D665-I1040 WeakPolarHBondContact OD1-CB 3.26Å; D665-I1040 WeakPolarHBondContact OD1-CG2 3.29Å; L668-I1040 HydrophobicContact CB-CD1 4.47Å
1041D28.8Very low29.7Very low117 Ų117136.4 Ų136.463%0.62670%0.697SS**  -166.171.5-58.6-86-52.1000107.5
1042D26.6Very low29.4Very low57 Ų57132.8 Ų132.831%0.30569%0.687SS.*  trans-127.5157.4-178.3-146.1-24.6000114.8S660 N664S660-D1042 VanDerWaalsContact O-OD2 3.08Å; N664-D1042 HydrophobicContact CB-CB 4.26Å; N664-D1042 VanDerWaalsContact CB-OD2 3.32Å; N664-D1042 WeakPolarHBondContact CB-OD2 3.22Å; N664-D1042 PolarHBondContact ND2-OD1 2.89Å; N664-D1042 PolarHBondContact ND2-OD2 2.96Å
1043S31.5Very low29.3Very low88 Ų88133.5 Ų133.562%0.61569%0.693SS**  trans71.3104.3-174.5-58.80000116.9
1044N26.5Very low29.2Very low164 Ų164134.6 Ų134.688%0.87770%0.698SS**  trans-156.9163.8178.9-147.6-28.5000114.2
1045A32Very low29.1Very low88 Ų88135.2 Ų135.273%0.72770%0.704SS**  trans68.6115.2-176.600000116.3
1046Y29.2Very low29Very low217 Ų217134.9 Ų134.985%0.85171%0.71SS**  cis92.9152.97.7-138.7-97.2000118.5
1047I26.9Very low28.4Very low138 Ų138130.1 Ų130.171%0.70870%0.703SS**  trans84.8134.9171.5-7.8-147.2000119.9
1048Q27.7Very low28.1Very low168 Ų168129.7 Ų129.779%0.78571%0.705SS**  trans79.3140.5168.6-63.7-170.732.300117.7
1049Q26.3Very low28.1Very low137 Ų137130.3 Ų130.364%0.6472%0.719SS**  cis-164154-27.3-140.5172.9-54.200109.1
1050H26.3Very low27.7Very low149 Ų149132.7 Ų132.769%0.6972%0.72SS**  trans31.5116.3163-54.5-62.9000120
1051Q27.4Very low27.6Very low182 Ų182136.5 Ų136.585%0.8575%0.746SS**  -178.6138.299.8-96.9166.834.600115.1
1052V27.8Very low27.7Very low107 Ų107139.9 Ų139.965%0.64876%0.758SS**  trans47.3111.3137.5-178.80000119.3L1054V1052-L1054 HydrophobicContact CG1-CB 4.2Å; V1052-L1054 HydrophobicContact CG1-CD1 4.05Å; V1052-L1054 HydrophobicContact CG1-CG 4.1Å; V1052-L1054 PolarHBondContact O-N 3.42Å
1053N27.6Very low27.6Very low168 Ų168141.7 Ų141.790%0.89877%0.771SS**  trans-49.3105.9146.7-66-17.8000110.7
1054L28.8Very low27.3Very low154 Ų154144.1 Ų144.181%0.80678%0.776SS**  trans-135.179.4157-106.7165.8000108.3V1052V1052-L1054 HydrophobicContact CG1-CB 4.2Å; V1052-L1054 HydrophobicContact CG1-CD1 4.05Å; V1052-L1054 HydrophobicContact CG1-CG 4.1Å; V1052-L1054 PolarHBondContact O-N 3.42Å
1055C28Very low27.2Very low98 Ų98141.8 Ų141.866%0.66277%0.767SS**  trans-63.1172.8159.2-159.30000109.5
1056D27.1Very low27Very low156 Ų156148 Ų14883%0.83478%0.778SS**SBendtrans78.319.3165-42.6-29.6000117.5
1057A22.3Very low26.8Very low86 Ų86144 Ų14471%0.71177%0.771SS**  trans-155.674.3171.500000116.6
1058C24.2Very low26.8Very low134 Ų134146.1 Ų146.191%0.90578%0.776SS**SBendtrans-163.328.6155.9-109.60000116.4
1059T28.9Very low26.7Very low134 Ų134147 Ų14782%0.82278%0.777SS**  trans-136.169.9179.113.20000110.7
1060Q27.3Very low26.8Very low190 Ų190146 Ų14689%0.88878%0.78SS**  trans-141.177.2177.6-76.3-169.4-21.400112.1
1061V28.6Very low26.7Very low134 Ų134148.5 Ų148.581%0.81279%0.792SS**  -150.691.2115.3-1780000107.2V1063V1061-V1063 HydrophobicContact CG1-CB 4.33Å; V1061-V1063 HydrophobicContact CG1-CG2 4.02Å
1062E30.4Very low26.7Very low189 Ų189142.7 Ų142.788%0.88378%0.775SS**  trans-93.198.3161.6-77.6-168.9134.300108.7
1063V25.1Very low26.6Very low94 Ų94143.8 Ų143.857%0.5778%0.782SS**  trans-138.390.7169.6-178.20000108.7V1061V1061-V1063 HydrophobicContact CG1-CB 4.33Å; V1061-V1063 HydrophobicContact CG1-CG2 4.02Å
1064I25.4Very low26.6Very low140 Ų140143.8 Ų143.872%0.71878%0.78SS**  57.1135117.8-61.4163.8000118.3
1065T24.8Very low26.5Very low114 Ų114143.6 Ų143.670%0.69978%0.78SS**  trans61117.6169.345.10000118.7
1066F26.3Very low26.5Very low220 Ų220143.9 Ų143.997%0.96578%0.783SS**  trans-135.666.8136.5-141.9-83.2000109.2
1067D25.7Very low26.7Very low131 Ų131142 Ų14270%0.70178%0.777SS**  trans-138.7117-176.7-163.8-2.5000107.1
1068K27.5Very low26.9Very low184 Ų184144.5 Ų144.580%0.878%0.779SS**  trans69.4118.8-172.7-51.7-178.8-178.5-176.90119.1
1069F25.4Very low27Very low186 Ų186146.5 Ų146.582%0.81678%0.777SS**  trans155.9148.5140-102.9-88.1000106.9
1070V28.9Very low27Very low115 Ų115148.7 Ų148.770%0.69778%0.778SS**  cis-132.8132.613.5-176.10000110.6
1071E24.2Very low27Very low203 Ų203145.8 Ų145.895%0.94977%0.772SS**  trans-141.166.7156.1-166.8-174.4-15500109
1072A26Very low26.8Very low59 Ų59147.5 Ų147.549%0.48877%0.772SS.*SBendtrans-159.1114.217500000111.8
1073T25.5Very low26.7Very low130 Ų130145.2 Ų145.280%0.79877%0.771SS**  trans31.1111.7148.455.50000119.7
1074I28.6Very low26.9Very low169 Ų169144 Ų14487%0.86777%0.771SS**  trans-129.9106.6142.6-63.5-177.1000108.3
1075D26.4Very low27.1Very low149 Ų149144.8 Ų144.880%0.79777%0.774SS**  trans-77.9166.4154.4-90-56.1000109.7
1076S27.5Very low27.3Very low104 Ų104146.3 Ų146.373%0.72778%0.778SS**  trans88.7101.9153.4-170.80000120.9
1077V31.4Very low27.5Very low118 Ų118143 Ų14372%0.71577%0.771SS**  73.3105.5127.2-178.70000120.2
1078D25.9Very low27.8Very low138 Ų138143.6 Ų143.674%0.73877%0.769SS**  46.7146128.7-66.1-49.5000125
1079M28Very low28.2Very low176 Ų176140.8 Ų140.887%0.86777%0.767SS**  trans67.2140.3161.4-64.8178.2-166.700116.2
1080E27.5Very low28.7Very low180 Ų180138.6 Ų138.684%0.84176%0.757SS**  cis-141.9141.130.7-73.7-175.4121.100115.8
1081V27.3Very low29Very low128 Ų128139.6 Ų139.678%0.77676%0.759SS**  22.898.1125.2-167.20000119.5
1082Q25.8Very low29.4Very low170 Ų170136.7 Ų136.779%0.79475%0.749SS**  33.4110.3117.5-163118.343.100121
1083V28.1Very low29.7Very low142 Ų142141.4 Ų141.486%0.86176%0.761SS**  trans-143.9137.8138.1170.90000109.2
1084A28.5Very low30Very low69 Ų69141 Ų14157%0.5776%0.759SS**  trans-110.1169.417600000112.2
1085I29.9Very low30.2Very low155 Ų155140.2 Ų140.280%0.79575%0.753SS**  trans-177.1100.4155.5-90.3142.8000103.8
1086D29.4Very low30.5Very low147 Ų147139.4 Ų139.479%0.78675%0.749SS**  56.6128.469.7-74-26.4000115
1087D30.8Very low30.6Very low151 Ų151138.4 Ų138.481%0.80774%0.742SS**  -163160.5126.6-132.4-29.6000115.1
1088E32.2Very low30.6Very low143 Ų143140.8 Ų140.867%0.66875%0.745SS**  trans47.196.3171-59.7-14115900118.5K1090E1088-K1090 IonicContact OE2-NZ 3.16Å; E1088-K1090 PolarHBondContact OE2-NZ 3.25Å
1089V35.4Very low31Very low124 Ų124141 Ų14175%0.75274%0.741SS**  cis67.1122.635.1-168.80000115.5
1090K35.7Very low31.2Very low141 Ų141139.8 Ų139.861%0.61373%0.733SS**  trans-161.2114.7150.7-108.1154.7-146.581.30115.3E1088E1088-K1090 IonicContact OE2-NZ 3.16Å; E1088-K1090 PolarHBondContact OE2-NZ 3.25Å
1091N35.4Very low31.3Very low136 Ų136138.3 Ų138.373%0.72773%0.731SS**  trans81.3140.3156.3-44.6-50.3000120.3
1092L31.1Very low31.7Very low142 Ų142139.8 Ų139.874%0.74373%0.734SS**  cis-168.1168.5-33.1-143.666.1000111.5
1093E32.8Very low32Very low157 Ų157139.1 Ų139.173%0.73474%0.735SS**  trans86.899.5153.3-71.7179.1-173.800123.6
1094T32.4Very low32.1Very low123 Ų123139 Ų13976%0.75573%0.734SS**  trans77.1146.7134.369.20000120.8
1095M31.9Very low32.3Very low151 Ų151143 Ų14374%0.74474%0.741SS**  cis-164.2147.3-7.1-121.9-177173.500113.5
1096N32.8Very low32.4Very low132 Ų132141.4 Ų141.471%0.70674%0.744SS**  trans62.9153.6148.3-65.7-13.6000122
1097S29.5Very low32.5Very low84 Ų84139.6 Ų139.659%0.58774%0.743SS**  cis177.9147.6-24.656.60000112.4
1098H32.8Very low32.8Very low168 Ų168137.3 Ų137.378%0.77874%0.736SS**  trans66.9159.8153.7-69.3-5.4000118.2
1099E32.8Very low32.7Very low141 Ų141138.3 Ų138.366%0.65974%0.739SS**  cis-167171.9-8.6-113.3-179115.700107.8
1100Q33.9Very low32.4Very low151 Ų151138.3 Ų138.371%0.70673%0.734SS**  cis-152.9-176.62.9-150.3-179.879.100109.5
1101L29.7Very low32.3Very low150 Ų150138.9 Ų138.979%0.78574%0.744SS**  trans-109.9162.5170.7-76.8160.8000112.2
1102N34.7Very low31.9Very low158 Ų158137.7 Ų137.785%0.84574%0.742SS**  -174.8148.9129.6-99.9-57.5000114.3
1103L31.1Very low32Very low156 Ų156137.2 Ų137.282%0.81774%0.74SS**  trans-118.5153.3-173.2-177.477.4000110.6
1104V32Very low31.7Very low139 Ų139137.7 Ų137.784%0.84274%0.742SS**  trans-168.3155.5148.9131.70000111.5
1105Q31.5Very low31.5Very low153 Ų153136.2 Ų136.272%0.71574%0.737SS**  trans-102.2177-160.1-55155.5-75.100115.7
1106S31.9Very low31.1Very low122 Ų122135.9 Ų135.985%0.85374%0.738SS**  trans113.6148.7139.675.50000119.8
1107S31.2Very low30.8Very low109 Ų109136.1 Ų136.176%0.76274%0.739SS**  trans-108.7-159.4-164.558.90000110.4
1108P37.1Very low30.7Very low104 Ų104136.9 Ų136.968%0.67574%0.741SS**  cis-143.7176.5-1.543.8-25.1000118.1
1109K31.2Very low30.5Very low164 Ų164138.6 Ų138.671%0.71374%0.74SS**  trans68.3146.9135.7-86.7175.4179.5166.60124.6
1110D28.8Very low30.4Very low123 Ų123141.6 Ų141.666%0.65875%0.747SS**  trans56.4113.2150.1-48.3-20.9000120.6
1111N32.7Very low30.2Very low153 Ų153138.7 Ų138.782%0.81874%0.743SS**  -179.1147.793.9-98-80.7000114.7
1112T28.2Very low30.4Very low112 Ų112139.1 Ų139.169%0.68775%0.746SS**  trans-52.8147.2167-11.80000113.6
1113N32.3Very low30.2Very low131 Ų131140.3 Ų140.370%0.70175%0.747SS**  165137.1117.1-87.5-57.4000115.5
1114H28.1Very low30.3Very low167 Ų167138.2 Ų138.277%0.77374%0.743SS**  trans36.7133.4142.4-75.1-70.3000124.4
1115S26.7Very low30.2Very low93 Ų93137.5 Ų137.565%0.6574%0.739SS**  trans72.512213367.90000121
1116D24.8Very low30.1Very low144 Ų144141.2 Ų141.277%0.7775%0.746SS**  48.9141.4128.8-52.6-27.8000122.5
1117N25.9Very low30Very low136 Ų136141.1 Ų141.173%0.72774%0.74SS**  trans87.5101.6154-66.4-62.6000120.4
1118T27.2Very low30Very low101 Ų101141.4 Ų141.462%0.6274%0.738SS**  86.6123.6121.662.40000121.9
1119R27.8Very low29.6Very low203 Ų203143 Ų14377%0.76673%0.734SS**  trans68.5134.1150.5-55.9155.8-174.51763.7114.8
1120Y32.4Very low29.5Very low205 Ų205140.6 Ų140.680%0.80473%0.733SS**  cis-152.1138.745.1-95.3-90.6000114.2
1121S29.8Very low29.5Very low89 Ų89141.6 Ų141.662%0.62274%0.737SS**  trans38.7117.9132.8-165.70000120.2
1122N32.5Very low29.3Very low159 Ų159139.5 Ų139.585%0.8573%0.73SS**  -156.3158.697.3-86-26.7000112.5
1123Q30.4Very low29.4Very low183 Ų183144.9 Ų144.986%0.85574%0.738SS**  trans-83.5168.8-170.1-87.8-175.2-19.700114.1
1124P33.9Very low29.1Very low113 Ų113143.9 Ų143.973%0.73474%0.741SS**  cis-121.4-151.818.825.21.4000112.7
1125T30.2Very low29.2Very low123 Ų123147 Ų14776%0.75575%0.746SS**  cis-149.8-9214.1-41.60000115.9
1126R28Very low29.3Very low231 Ų231147.9 Ų147.987%0.87275%0.748SS**  trans-158157.8-171.8-70.2170.1163.2151.8-7.5105.5
1127T30.6Very low29.4Very low120 Ų120150.9 Ų150.974%0.73675%0.748SS**  cis-132.5143.121.730.70000111
1128T31.1Very low29.8Very low115 Ų115151.6 Ų151.671%0.70675%0.752SS**  69.510296.1-39.40000117.3
1129K28.4Very low29.8Very low138 Ų138150.8 Ų150.860%0.675%0.747SS**  trans20.9143.3130.9-42.6174.3179.6-178.10118.8Q2009K1129-Q2009 VanDerWaalsContact NZ-OE1 3.16Å
1130T29.4Very low30Very low113 Ų113146 Ų14669%0.69374%0.741SS**  -170.6122.756.7-540000111.7
1131I29.5Very low30.2Very low145 Ų145141.2 Ų141.274%0.74474%0.737SS**  43.4134.9103.1-33.6175.8000118.9
1132T28.4Very low30.4Very low109 Ų109141.2 Ų141.267%0.66974%0.742SS**  trans103.1114.3142.80.90000123.2
1133R29.6Very low30.4Very low224 Ų224137.3 Ų137.385%0.84573%0.733SS**  trans56.4106.8136.3-84.2176.8170171-4.5122.4
1134S25.5Very low30.5Very low111 Ų111132.1 Ų132.178%0.77672%0.721SS**  40.2100.9106.5-44.10000120.2
1135R31.3Very low30.5Very low233 Ų233132 Ų13288%0.87972%0.718SS**  -173.6103.1129.8-105.6166.4177.7-179.9-3.6114.8
1136T28.6Very low30.6Very low111 Ų111133.6 Ų133.668%0.68172%0.721SS**  46.7116.4122.558.40000122.3
1137W27.9Very low30.8Very low206 Ų206126.7 Ų126.778%0.7871%0.708SS**  trans70.3121.9134.5-72.337.3000119.5T1139W1137-T1139 HydrophobicContact CD2-CG2 3.89Å; W1137-T1139 HydrophobicContact CE3-CG2 4.14Å; W1137-T1139 HydrophobicContact CG-CG2 4.15Å
1138N32.8Very low30.7Very low152 Ų152129.1 Ų129.181%0.81371%0.711SS**  -140.3107.3108.9-131.3-4.6000110.9T1140N1138-T1140 PolarHBondContact O-N 3.02Å; N1138-T1140 VanDerWaalsContact O-N 3.13Å
1139T28.4Very low30.7Very low84 Ų84130.3 Ų130.352%0.51571%0.711SS.*THydrogen-bonded Turntrans-87.875.3-168.249.40000111.3W1137W1137-T1139 HydrophobicContact CD2-CG2 3.89Å; W1137-T1139 HydrophobicContact CE3-CG2 4.14Å; W1137-T1139 HydrophobicContact CG-CG2 4.15Å
1140T31.7Very low30.6Very low102 Ų102128.9 Ų128.963%0.62671%0.714SS**THydrogen-bonded Turntrans-140.5-42.6-179.7-46.80000113.7N1138 A1143N1138-T1140 PolarHBondContact O-N 3.02Å; N1138-T1140 VanDerWaalsContact O-N 3.13Å; T1140-A1143 PolarHBondContact O-N 2.84Å
1141S35.4Very low30.6Very low105 Ų105129 Ų12973%0.73471%0.714SS**G310 helixtrans-72-31.1177.8-48.40000113.1A1143S1141-A1143 PolarHBondContact O-N 3.39Å; S1141-A1143 VanDerWaalsContact O-N 3.09Å
1142A34.8Very low30.8Very low88 Ų88125 Ų12573%0.72769%0.691SS**G310 helixtrans-74.79.8178.100000114.4
1143A32.8Very low30.8Very low78 Ų78126 Ų12665%0.64569%0.688SS**G310 helixtrans-122.62.8-178.300000113.8T1140 S1141T1140-A1143 PolarHBondContact O-N 2.84Å; S1141-A1143 PolarHBondContact O-N 3.39Å; S1141-A1143 VanDerWaalsContact O-N 3.09Å
1144A32.4Very low30.7Very low73 Ų73122.2 Ų122.260%0.60368%0.68SS**SBendtrans-110.5-13.5-17600000114.6
1145V33.9Very low31Very low111 Ų111123 Ų12367%0.67367%0.671SS**SBendtrans-97.7-23.3178.3-175.90000111.6S1147V1145-S1147 VanDerWaalsContact C-N 3.27Å; V1145-S1147 PolarHBondContact O-N 3.31Å; V1145-S1147 VanDerWaalsContact O-N 3.08Å
1146L32.5Very low30.9Very low157 Ų157120.7 Ų120.782%0.82267%0.671SS**THydrogen-bonded Turntrans-8550179.2-70.4169.7000112.9
1147S32Very low30.9Very low85 Ų85123.2 Ų123.259%0.59468%0.675SS**THydrogen-bonded Turntrans-143.95.1179.780.70000117.4V1145V1145-S1147 VanDerWaalsContact C-N 3.27Å; V1145-S1147 PolarHBondContact O-N 3.31Å; V1145-S1147 VanDerWaalsContact O-N 3.08Å
1148H28.7Very low30.9Very low172 Ų172117.5 Ų117.580%0.79667%0.666SS**SBendtrans-147.22.9174.1-98.6-59.9000117V1150H1148-V1150 PolarHBondContact O-N 2.92Å
1149I29.7Very low30.7Very low140 Ų140116.4 Ų116.472%0.71866%0.659SS**  trans-77.5106.7168.5-59.8177.6000107.9V1151I1149-V1151 HydrophobicContact CG2-CG2 4.31Å
1150V27.3Very low30.6Very low108 Ų108118.3 Ų118.366%0.65567%0.67SS**  trans-11378.6171.9-175.60000108.1H1148H1148-V1150 PolarHBondContact O-N 2.92Å
1151V30.3Very low30.5Very low115 Ų115119.9 Ų119.970%0.69768%0.68SS**  trans-104145.9156.9-1790000106I1149I1149-V1151 HydrophobicContact CG2-CG2 4.31Å
1152K31.8Very low30Very low61 Ų61120.1 Ų120.127%0.26568%0.677SS.*  trans-123.2131.6179.9-78177.7171.4177.40110R161 A164R161-K1152 HydrophobicContact CB-CD 4.36Å; R161-K1152 HydrophobicContact CG-CD 4.11Å; R161-K1152 PolarHBondContact O-NZ 3.03Å; A164-K1152 HydrophobicContact CB-CD 3.9Å
1153E28.4Very low29.7Very low129 Ų129122.9 Ų122.960%0.60368%0.684SS**  trans-86.2-166.7169.7-61.9156.5121.600108.9R1905E1153-R1905 IonicContact OE1-CZ 2.66Å; E1153-R1905 IonicContact OE1-NE 3.69Å; E1153-R1905 IonicContact OE1-NH2 3.31Å; E1153-R1905 PolarHBondContact OE1-NH2 3.07Å
1154E29Very low29.4Very low145 Ų145125.2 Ų125.268%0.67869%0.686SS**  trans74.7127.3172.7-56.4171.2168.400113.5
1155E30.2Very low29.1Very low127 Ų127129.6 Ų129.659%0.59369%0.694SS**  cis-140.6144.110.9-91.9142.4-15700108.2
1156E29.7Very low28.8Very low185 Ų185129.1 Ų129.186%0.86470%0.695SS**  60.6145.679.9-57.4-179.2176.600114.4
1157E29.1Very low28.6Very low165 Ų165129.2 Ų129.277%0.77170%0.697SS**  cis-141-177.52.3-144.2-159.1-161.800106.7I1159E1157-I1159 HydrophobicContact CG-CD1 4.05Å; E1157-I1159 WeakPolarHBondContact OE1-CD1 3.42Å
1158S28.9Very low28.5Very low85 Ų85129.4 Ų129.459%0.59469%0.694SS**  cis-156.7140.35.3950000108.4
1159I26.6Very low28.4Very low130 Ų130132.9 Ų132.967%0.66770%0.7SS**  81.3149.580.5-61.1168.6000114.9E1157E1157-I1159 HydrophobicContact CG-CD1 4.05Å; E1157-I1159 WeakPolarHBondContact OE1-CD1 3.42Å
1160V28.3Very low28.4Very low124 Ų124132.4 Ų132.475%0.75270%0.699SS**  trans84.7112-176.3-173.20000113
1161T27.8Very low28.5Very low134 Ų134135.7 Ų135.782%0.82271%0.713SS**  cis-153.9171.2-4.12.10000111.2
1162V24.8Very low28.8Very low111 Ų111135.3 Ų135.367%0.67372%0.716SS**  trans-119139.3174171.80000110.4
1163V29Very low29Very low146 Ų146142.3 Ų142.389%0.88575%0.746SS**  trans-145.385.1148.9-171.90000110.9
1164D26.8Very low29.1Very low127 Ų127144.2 Ų144.268%0.67976%0.759SS**  trans21.7155.2132.3-82.6-53.5000126.3
1165E27Very low29.3Very low165 Ų165143.3 Ų143.377%0.77176%0.759SS**  trans74.385.9142.9-77.9-175.3160.100121.9
1166S26.5Very low29.7Very low100 Ų100143.5 Ų143.570%0.69976%0.764SS**  67.6142.6116.576.50000121.5
1167D29.2Very low30Very low159 Ų159139.8 Ų139.885%0.8575%0.75SS**  trans-138.4161.7142.5-149-17000111.7
1168T29.8Very low30.4Very low89 Ų89139.5 Ų139.555%0.54675%0.754SS.*  trans-121.8125.9-144.959.20000114.7N1170T1168-N1170 PolarHBondContact O-N 3.35Å; T1168-N1170 PolarHBondContact OG1-ND2 3.38Å
1169R25.9Very low31.1Very low246 Ų246140.1 Ų140.193%0.92875%0.75SS**  trans-51.5100.7170.2-179-167.7-163.3154.67.8112.6
1170N30.1Very low31.7Very low130 Ų130140.8 Ų140.870%0.69576%0.755SS**  trans-136.156.7-179.7-91.4-58.1000115.2T1168 S1172T1168-N1170 PolarHBondContact O-N 3.35Å; T1168-N1170 PolarHBondContact OG1-ND2 3.38Å; N1170-S1172 PolarHBondContact O-N 3.41Å
1171D30.1Very low32.4Very low176 Ų176142.7 Ų142.794%0.94176%0.756SS**  trans-77.1106.3166.6-137.8-5.9000109.7
1172S35.9Very low33.4Very low108 Ų108140.7 Ų140.776%0.75574%0.736SS**  trans-124.9149.4-175.377.60000113.5N1170N1170-S1172 PolarHBondContact O-N 3.41Å
1173K34.7Very low34.9Very low208 Ų208141.7 Ų141.790%0.90473%0.731SS**  trans-88135.8-150.9-73.9178177.6171.60116.5
1174I31.8Very low35.9Very low169 Ų169142.9 Ų142.987%0.86772%0.721SS**  trans-49142.6162.7-60.6158000112.5
1175N33.2Very low37.7Very low126 Ų126140.3 Ų140.367%0.67471%0.705SS**  trans-156.8111153.4-172.513.1000113.5
1176N38.5Very low39.7Very low131 Ų131136 Ų13670%0.70169%0.687SS**  -179.6114.6124-101.2-61.7000114.9
1177N36.9Very low41.6Very low106 Ų106135.4 Ų135.457%0.56767%0.673SS**  trans23.4118.1141.5-60-63.6000121.2
1178N37.4Very low43.6Very low160 Ų160131.8 Ų131.886%0.85665%0.653SS**  -153.7143.5113.8-114.5-38.7000112.7
1179N42.2Very low45.7Very low98 Ų98132.6 Ų132.652%0.52465%0.651SS.*  trans-111.6127.5-167.1-61.7-28.9000112.5K1182N1179-K1182 VanDerWaalsContact OD1-CD 3.27Å; N1179-K1182 WeakPolarHBondContact OD1-CD 3.03Å
1180N39.6Very low48.1Very low144 Ų144125.5 Ų125.577%0.7763%0.626SS**SBendtrans165.8-45.3144-89.1-12.7000111K1182 F1183N1180-K1182 PolarHBondContact O-N 2.89Å; N1180-F1183 PolarHBondContact O-N 3.09Å; N1180-F1183 VanDerWaalsContact O-N 3.09Å
1181Q43.1Very low49.9Very low164 Ų164122.2 Ų122.277%0.76661%0.613SS**Hα-helixtrans-55.1-30.9159.5-169166.72.300109.6F1183 Y1184 Q1185Q1181-F1183 PolarHBondContact O-N 3.26Å; Q1181-F1183 VanDerWaalsContact O-N 3.08Å; Q1181-Y1184 PolarHBondContact O-N 2.94Å; Q1181-Q1185 WeakPolarHBondContact O-CB 3.41Å; Q1181-Q1185 PolarHBondContact O-N 3.37Å
1182K49.4Very low52Low92 Ų92120.3 Ų120.340%0.460%0.596SS.*Hα-helixtrans-44.6-27.5167.6-164.2168.5-175.5174.50116.8N1179 N1180 D1186N1179-K1182 VanDerWaalsContact OD1-CD 3.27Å; N1179-K1182 WeakPolarHBondContact OD1-CD 3.03Å; N1180-K1182 PolarHBondContact O-N 2.89Å; K1182-D1186 VanDerWaalsContact CE-CG 3.41Å; K1182-D1186 WeakPolarHBondContact CE-OD1 3.16Å; K1182-D1186 WeakPolarHBondContact CE-OD2 3.17Å; K1182-D1186 VanDerWaalsContact CG-CG 3.46Å; K1182-D1186 WeakPolarHBondContact CG-OD1 3.38Å; K1182-D1186 WeakPolarHBondContact CG-OD2 3.44Å; K1182-D1186 WeakPolarHBondContact O-CA 3.31Å; K1182-D1186 WeakPolarHBondContact O-CB 3.46Å; K1182-D1186 PolarHBondContact O-N 2.86Å
1183F56.9Low54Low132 Ų132120.2 Ų120.258%0.57959%0.587SS**Hα-helixtrans-71.1-45.5173.5-177-100.6000112.1N1180 Q1181 Q1187N1180-F1183 PolarHBondContact O-N 3.09Å; N1180-F1183 VanDerWaalsContact O-N 3.09Å; Q1181-F1183 PolarHBondContact O-N 3.26Å; Q1181-F1183 VanDerWaalsContact O-N 3.08Å; F1183-Q1187 HydrophobicContact CE1-CG 4.1Å; F1183-Q1187 HydrophobicContact CE2-CG 4.3Å; F1183-Q1187 HydrophobicContact CZ-CG 3.98Å; F1183-Q1187 VanDerWaalsContact O-CB 3.32Å; F1183-Q1187 WeakPolarHBondContact O-CB 3.23Å; F1183-Q1187 VanDerWaalsContact O-CG 3.23Å; F1183-Q1187 WeakPolarHBondContact O-CG 3.28Å; F1183-Q1187 PolarHBondContact O-N 3.39Å
1184Y49.5Very low56Low171 Ų171114.4 Ų114.467%0.67156%0.563SS**Hα-helixtrans-73.8-32.3174.7-73.5-79.4000111.7Q1181 Q1187 I1188Q1181-Y1184 PolarHBondContact O-N 2.94Å; Y1184-Q1187 PolarHBondContact O-N 2.81Å; Y1184-I1188 VanDerWaalsContact O-CB 3.22Å; Y1184-I1188 WeakPolarHBondContact O-CB 3.42Å; Y1184-I1188 WeakPolarHBondContact O-CD1 3.4Å; Y1184-I1188 WeakPolarHBondContact O-CG1 3.47Å; Y1184-I1188 PolarHBondContact O-N 3.09Å
1185Q63.2Low58.1Low73 Ų73110.9 Ų110.934%0.34155%0.545SS..Hα-helixtrans-72.8-37.3174.8-165.968.417.700112.1Q1181 Q1187 I1188 E1189Q1181-Q1185 WeakPolarHBondContact O-CB 3.41Å; Q1181-Q1185 PolarHBondContact O-N 3.37Å; Q1185-Q1187 VanDerWaalsContact C-N 3.35Å; Q1185-I1188 CarbonylContact O-C 3.53Å; Q1185-I1188 PolarHBondContact O-N 3.38Å; Q1185-E1189 WeakPolarHBondContact O-CA 3.25Å; Q1185-E1189 WeakPolarHBondContact O-CB 3.4Å; Q1185-E1189 WeakPolarHBondContact O-CG 3.37Å; Q1185-E1189 PolarHBondContact O-N 2.93Å
1186D69.3Low60.1Low74 Ų74107.4 Ų107.440%0.39653%0.531SS..Hα-helixtrans-70.4-31.4171.7-74.2-2.4000110.8K1182 K1190K1182-D1186 VanDerWaalsContact CE-CG 3.41Å; K1182-D1186 WeakPolarHBondContact CE-OD1 3.16Å; K1182-D1186 WeakPolarHBondContact CE-OD2 3.17Å; K1182-D1186 VanDerWaalsContact CG-CG 3.46Å; K1182-D1186 WeakPolarHBondContact CG-OD1 3.38Å; K1182-D1186 WeakPolarHBondContact CG-OD2 3.44Å; K1182-D1186 WeakPolarHBondContact O-CA 3.31Å; K1182-D1186 WeakPolarHBondContact O-CB 3.46Å; K1182-D1186 PolarHBondContact O-N 2.86Å; D1186-K1190 WeakPolarHBondContact O-CA 3.48Å; D1186-K1190 WeakPolarHBondContact O-CB 3.39Å; D1186-K1190 PolarHBondContact O-N 3.46Å
1187Q67.7Low61.9Low88 Ų88105.5 Ų105.541%0.41152%0.52SS..Hα-helixtrans-75.3-34.1172.7-75.1-81.190.700112.1F1183 Y1184 Q1185 C1191F1183-Q1187 HydrophobicContact CE1-CG 4.1Å; F1183-Q1187 HydrophobicContact CE2-CG 4.3Å; F1183-Q1187 HydrophobicContact CZ-CG 3.98Å; F1183-Q1187 VanDerWaalsContact O-CB 3.32Å; F1183-Q1187 WeakPolarHBondContact O-CB 3.23Å; F1183-Q1187 VanDerWaalsContact O-CG 3.23Å; F1183-Q1187 WeakPolarHBondContact O-CG 3.28Å; F1183-Q1187 PolarHBondContact O-N 3.39Å; Y1184-Q1187 PolarHBondContact O-N 2.81Å; Q1185-Q1187 VanDerWaalsContact C-N 3.35Å; Q1187-C1191 VanDerWaalsContact O-CB 3.26Å; Q1187-C1191 WeakPolarHBondContact O-CB 3.48Å; Q1187-C1191 PolarHBondContact O-N 3.13Å; Q1187-C1191 PolarHBondContact O-SG 2.67Å
1188I71.3Confident63.9Low82 Ų82105.4 Ų105.442%0.42152%0.519SS..Hα-helixtrans-75.6-32.4172.5-72.4165.8000110.8Y1184 Q1185 C1191 K1192Y1184-I1188 VanDerWaalsContact O-CB 3.22Å; Y1184-I1188 WeakPolarHBondContact O-CB 3.42Å; Y1184-I1188 WeakPolarHBondContact O-CD1 3.4Å; Y1184-I1188 WeakPolarHBondContact O-CG1 3.47Å; Y1184-I1188 PolarHBondContact O-N 3.09Å; Q1185-I1188 CarbonylContact O-C 3.53Å; Q1185-I1188 PolarHBondContact O-N 3.38Å; I1188-C1191 CarbonylContact O-C 3.53Å; I1188-K1192 HydrophobicContact CG2-CD 4.26Å; I1188-K1192 HydrophobicContact CG2-CG 4.42Å; I1188-K1192 WeakPolarHBondContact O-CA 3.43Å; I1188-K1192 WeakPolarHBondContact O-CB 3.26Å; I1188-K1192 WeakPolarHBondContact O-CG 3.32Å; I1188-K1192 PolarHBondContact O-N 3.02Å
1189E72.5Confident65.8Low107 Ų107103.2 Ų103.250%0.550%0.499SS..Hα-helixtrans-75.2-36170.9-81.3-177.5-157.300111.2Q1185 K1192 L1193Q1185-E1189 WeakPolarHBondContact O-CA 3.25Å; Q1185-E1189 WeakPolarHBondContact O-CB 3.4Å; Q1185-E1189 WeakPolarHBondContact O-CG 3.37Å; Q1185-E1189 PolarHBondContact O-N 2.93Å; E1189-K1192 CarbonylContact O-C 3.52Å; E1189-K1192 PolarHBondContact O-N 3.35Å; E1189-L1193 WeakPolarHBondContact O-CA 3.43Å; E1189-L1193 WeakPolarHBondContact O-CB 3.44Å; E1189-L1193 PolarHBondContact O-N 2.79Å
1190K77.6Confident67.5Low96 Ų96104.8 Ų104.842%0.41750%0.501SS..Hα-helixtrans-64.7-43169.1-177.1176.8177-68.10110.7D1186 L1193 E1194D1186-K1190 WeakPolarHBondContact O-CA 3.48Å; D1186-K1190 WeakPolarHBondContact O-CB 3.39Å; D1186-K1190 PolarHBondContact O-N 3.46Å; K1190-L1193 CarbonylContact O-C 3.54Å; K1190-L1193 PolarHBondContact O-N 3.45Å; K1190-E1194 WeakPolarHBondContact CE-OE1 3.4Å; K1190-E1194 HydrophobicContact CG-CG 4.49Å; K1190-E1194 IonicContact NZ-OE1 3.75Å; K1190-E1194 PolarHBondContact NZ-OE1 2.72Å; K1190-E1194 IonicContact NZ-OE2 2.68Å; K1190-E1194 PolarHBondContact NZ-OE2 2.78Å; K1190-E1194 VanDerWaalsContact O-CB 3.23Å; K1190-E1194 WeakPolarHBondContact O-CB 3.34Å; K1190-E1194 VanDerWaalsContact O-CG 3.3Å; K1190-E1194 WeakPolarHBondContact O-CG 3.3Å; K1190-E1194 PolarHBondContact O-N 2.8Å
1191C66.9Low69.2Low61 Ų61103.2 Ų103.241%0.41249%0.489SS..Hα-helixtrans-70.2-31.2173.4-67.60000112.4Q1187 I1188 I1195Q1187-C1191 VanDerWaalsContact O-CB 3.26Å; Q1187-C1191 WeakPolarHBondContact O-CB 3.48Å; Q1187-C1191 PolarHBondContact O-N 3.13Å; Q1187-C1191 PolarHBondContact O-SG 2.67Å; I1188-C1191 CarbonylContact O-C 3.53Å; C1191-I1195 WeakPolarHBondContact O-CA 3.49Å; C1191-I1195 WeakPolarHBondContact O-CB 3.23Å; C1191-I1195 WeakPolarHBondContact O-CD1 3.12Å; C1191-I1195 WeakPolarHBondContact O-CG1 3.48Å; C1191-I1195 PolarHBondContact O-N 2.82Å
1192K74.6Confident70.9Confident136 Ų13699.7 Ų99.759%0.59148%0.475SS*.Hα-helixtrans-75-27.1171.7-80.7179.5175.6-169.30112.4I1188 E1189 S1196I1188-K1192 HydrophobicContact CG2-CD 4.26Å; I1188-K1192 HydrophobicContact CG2-CG 4.42Å; I1188-K1192 WeakPolarHBondContact O-CA 3.43Å; I1188-K1192 WeakPolarHBondContact O-CB 3.26Å; I1188-K1192 WeakPolarHBondContact O-CG 3.32Å; I1188-K1192 PolarHBondContact O-N 3.02Å; E1189-K1192 CarbonylContact O-C 3.52Å; E1189-K1192 PolarHBondContact O-N 3.35Å; K1192-S1196 WeakPolarHBondContact O-CA 3.09Å; K1192-S1196 WeakPolarHBondContact O-CB 3.35Å; K1192-S1196 PolarHBondContact O-N 2.77Å
1193L77Confident72.2Confident107 Ų10799.3 Ų99.356%0.5648%0.477SS*.Hα-helixtrans-84.2-30.7175.3-170.669000110.8E1189 K1190 N1197E1189-L1193 WeakPolarHBondContact O-CA 3.43Å; E1189-L1193 WeakPolarHBondContact O-CB 3.44Å; E1189-L1193 PolarHBondContact O-N 2.79Å; K1190-L1193 CarbonylContact O-C 3.54Å; K1190-L1193 PolarHBondContact O-N 3.45Å; L1193-N1197 WeakPolarHBondContact O-CB 3.27Å; L1193-N1197 PolarHBondContact O-N 3.25Å
1194E76.7Confident73Confident86 Ų86102 Ų10240%0.40248%0.484SS..Hα-helixtrans-72.3-40.7166.4-75.8172.4153.900110.2K1190 S1196 N1197 L1198K1190-E1194 WeakPolarHBondContact CE-OE1 3.4Å; K1190-E1194 HydrophobicContact CG-CG 4.49Å; K1190-E1194 IonicContact NZ-OE1 3.75Å; K1190-E1194 PolarHBondContact NZ-OE1 2.72Å; K1190-E1194 IonicContact NZ-OE2 2.68Å; K1190-E1194 PolarHBondContact NZ-OE2 2.78Å; K1190-E1194 VanDerWaalsContact O-CB 3.23Å; K1190-E1194 WeakPolarHBondContact O-CB 3.34Å; K1190-E1194 VanDerWaalsContact O-CG 3.3Å; K1190-E1194 WeakPolarHBondContact O-CG 3.3Å; K1190-E1194 PolarHBondContact O-N 2.8Å; E1194-S1196 VanDerWaalsContact C-N 3.34Å; E1194-N1197 CarbonylContact O-C 3.56Å; E1194-N1197 PolarHBondContact O-N 2.79Å; E1194-L1198 WeakPolarHBondContact O-CA 3.32Å; E1194-L1198 WeakPolarHBondContact O-CB 3.41Å; E1194-L1198 WeakPolarHBondContact O-CG 3.25Å; E1194-L1198 PolarHBondContact O-N 3.31Å
1195I76.1Confident74.4Confident95 Ų9599 Ų9949%0.48748%0.478SS..Hα-helixtrans-71-27.2170.3-69.6164.5000111.5C1191 R1199C1191-I1195 WeakPolarHBondContact O-CA 3.49Å; C1191-I1195 WeakPolarHBondContact O-CB 3.23Å; C1191-I1195 WeakPolarHBondContact O-CD1 3.12Å; C1191-I1195 WeakPolarHBondContact O-CG1 3.48Å; C1191-I1195 PolarHBondContact O-N 2.82Å; I1195-R1199 HydrophobicContact CG2-CG 4.46Å; I1195-R1199 WeakPolarHBondContact O-CA 3.23Å; I1195-R1199 WeakPolarHBondContact O-CB 3.45Å; I1195-R1199 VanDerWaalsContact O-CG 3.25Å; I1195-R1199 WeakPolarHBondContact O-CG 3.47Å; I1195-R1199 PolarHBondContact O-N 2.78Å
1196S75.9Confident74.9Confident53 Ų5399.6 Ų99.637%0.37148%0.484SS..Hα-helixtrans-81.1-28.9173.2-178.30000112K1192 E1194 K1200K1192-S1196 WeakPolarHBondContact O-CA 3.09Å; K1192-S1196 WeakPolarHBondContact O-CB 3.35Å; K1192-S1196 PolarHBondContact O-N 2.77Å; E1194-S1196 VanDerWaalsContact C-N 3.34Å; S1196-K1200 WeakPolarHBondContact O-CB 3.3Å; S1196-K1200 WeakPolarHBondContact O-CG 3.36Å; S1196-K1200 PolarHBondContact O-N 3.08Å
1197N77.1Confident75.2Confident90 Ų9099.4 Ų99.448%0.48149%0.485SS..Hα-helixtrans-78-30.7167.4-84.3-19.6000112L1193 E1194 K1200 Q1201L1193-N1197 WeakPolarHBondContact O-CB 3.27Å; L1193-N1197 PolarHBondContact O-N 3.25Å; E1194-N1197 CarbonylContact O-C 3.56Å; E1194-N1197 PolarHBondContact O-N 2.79Å; N1197-K1200 CarbonylContact O-C 3.58Å; N1197-Q1201 WeakPolarHBondContact O-CA 3.47Å; N1197-Q1201 WeakPolarHBondContact O-CB 3.36Å; N1197-Q1201 WeakPolarHBondContact O-CG 3.34Å; N1197-Q1201 PolarHBondContact O-N 3.49Å
1198L78Confident75.2Confident105 Ų10598.6 Ų98.655%0.5549%0.488SS..Hα-helixtrans-78.9-30.6173-74.2167.8000111.2E1194 L1202E1194-L1198 WeakPolarHBondContact O-CA 3.32Å; E1194-L1198 WeakPolarHBondContact O-CB 3.41Å; E1194-L1198 WeakPolarHBondContact O-CG 3.25Å; E1194-L1198 PolarHBondContact O-N 3.31Å; L1198-L1202 WeakPolarHBondContact O-CA 3.34Å; L1198-L1202 WeakPolarHBondContact O-CB 3.39Å; L1198-L1202 PolarHBondContact O-N 2.9Å
1199R77.8Confident75.4Confident114 Ų11499.1 Ų99.143%0.4349%0.489SS..Hα-helixtrans-67.9-53.9162.4-78.4-178179.4-157.3-2.9109.4H605 I1195 Q1201 L1202 D1203H605-R1199 PolarHBondContact CD2-NH2 3.34Å; H605-R1199 VanDerWaalsContact CD2-NH2 3.33Å; H605-R1199 PolarHBondContact CE1-NH1 2.82Å; H605-R1199 PolarHBondContact NE2-NH1 2.85Å; H605-R1199 PolarHBondContact NE2-NH2 3.3Å; I1195-R1199 HydrophobicContact CG2-CG 4.46Å; I1195-R1199 WeakPolarHBondContact O-CA 3.23Å; I1195-R1199 WeakPolarHBondContact O-CB 3.45Å; I1195-R1199 VanDerWaalsContact O-CG 3.25Å; I1195-R1199 WeakPolarHBondContact O-CG 3.47Å; I1195-R1199 PolarHBondContact O-N 2.78Å; R1199-Q1201 PolarHBondContact O-N 2.89Å; R1199-L1202 CarbonylContact O-C 3.58Å; R1199-L1202 WeakPolarHBondContact O-CA 3.16Å; R1199-L1202 PolarHBondContact O-N 2.95Å; R1199-D1203 WeakPolarHBondContact O-CA 3.34Å; R1199-D1203 VanDerWaalsContact O-CB 3.28Å; R1199-D1203 WeakPolarHBondContact O-CB 3.43Å; R1199-D1203 PolarHBondContact O-N 3.16Å
1200K78.6Confident75.5Confident131 Ų131101.1 Ų101.157%0.5750%0.496SS*.Hα-helixtrans-59.9-21.2173.2-77-173.1172.9-173.30114.9S1196 N1197 R1204S1196-K1200 WeakPolarHBondContact O-CB 3.3Å; S1196-K1200 WeakPolarHBondContact O-CG 3.36Å; S1196-K1200 PolarHBondContact O-N 3.08Å; N1197-K1200 CarbonylContact O-C 3.58Å; K1200-R1204 WeakPolarHBondContact O-CB 3.48Å; K1200-R1204 VanDerWaalsContact O-CD 3.27Å; K1200-R1204 WeakPolarHBondContact O-CD 3.04Å; K1200-R1204 WeakPolarHBondContact O-CG 3.36Å; K1200-R1204 PolarHBondContact O-N 3.35Å
1201Q74.7Confident75.2Confident110 Ų110101.4 Ų101.451%0.51450%0.499SS..Hα-helixtrans-84.3-34.5168.8-82.1179.5-25.400112N1197 R1199 R1204 I1205N1197-Q1201 WeakPolarHBondContact O-CA 3.47Å; N1197-Q1201 WeakPolarHBondContact O-CB 3.36Å; N1197-Q1201 WeakPolarHBondContact O-CG 3.34Å; N1197-Q1201 PolarHBondContact O-N 3.49Å; R1199-Q1201 PolarHBondContact O-N 2.89Å; Q1201-R1204 CarbonylContact O-C 3.59Å; Q1201-R1204 PolarHBondContact O-N 2.85Å; Q1201-I1205 WeakPolarHBondContact O-CA 3.36Å; Q1201-I1205 WeakPolarHBondContact O-CB 3.2Å; Q1201-I1205 WeakPolarHBondContact O-CD1 3.39Å; Q1201-I1205 WeakPolarHBondContact O-CG1 3.37Å; Q1201-I1205 PolarHBondContact O-N 2.85Å
1202L79.4Confident75.1Confident91 Ų91103.4 Ų103.448%0.47650%0.504SS..Hα-helixtrans-73.7-40.5173.7-177.361.5000111.2L1198 R1199 I1205 N1206L1198-L1202 WeakPolarHBondContact O-CA 3.34Å; L1198-L1202 WeakPolarHBondContact O-CB 3.39Å; L1198-L1202 PolarHBondContact O-N 2.9Å; R1199-L1202 CarbonylContact O-C 3.58Å; R1199-L1202 WeakPolarHBondContact O-CA 3.16Å; R1199-L1202 PolarHBondContact O-N 2.95Å; L1202-I1205 CarbonylContact O-C 3.59Å; L1202-I1205 PolarHBondContact O-N 2.97Å; L1202-I1205 VanDerWaalsContact O-N 3.16Å; L1202-N1206 WeakPolarHBondContact O-CA 3.35Å; L1202-N1206 WeakPolarHBondContact O-CB 3.48Å; L1202-N1206 PolarHBondContact O-N 3.24Å; L1202-N1206 PolarHBondContact O-ND2 2.84Å; L1202-N1206 PolarHBondContact O-OD1 2.84Å
1203D74.6Confident74.8Confident83 Ų8399.9 Ų99.944%0.44449%0.489SS..Hα-helixtrans-63.2-39.6167.5-52.7-30.5000109.7R1199 T1207R1199-D1203 WeakPolarHBondContact O-CA 3.34Å; R1199-D1203 VanDerWaalsContact O-CB 3.28Å; R1199-D1203 WeakPolarHBondContact O-CB 3.43Å; R1199-D1203 PolarHBondContact O-N 3.16Å; D1203-T1207 WeakPolarHBondContact O-CA 3.4Å; D1203-T1207 WeakPolarHBondContact O-CB 3.23Å; D1203-T1207 PolarHBondContact O-N 2.76Å; D1203-T1207 PolarHBondContact O-OG1 3.45Å; D1203-T1207 VanDerWaalsContact O-OG1 3.04Å
1204R75.7Confident74.2Confident189 Ų189100.1 Ų100.171%0.71349%0.487SS*.Hα-helixtrans-73-23.3169.4-79.8171.6178.1-148.5-5.8114K1200 Q1201 C1208K1200-R1204 WeakPolarHBondContact O-CB 3.48Å; K1200-R1204 VanDerWaalsContact O-CD 3.27Å; K1200-R1204 WeakPolarHBondContact O-CD 3.04Å; K1200-R1204 WeakPolarHBondContact O-CG 3.36Å; K1200-R1204 PolarHBondContact O-N 3.35Å; Q1201-R1204 CarbonylContact O-C 3.59Å; Q1201-R1204 PolarHBondContact O-N 2.85Å; R1204-C1208 WeakPolarHBondContact O-CA 3.5Å; R1204-C1208 WeakPolarHBondContact O-CB 3.25Å; R1204-C1208 PolarHBondContact O-N 3.22Å
1205I78.5Confident73.5Confident108 Ų108100.2 Ų100.255%0.55449%0.494SS*.Hα-helixtrans-87.3-23.1175.1-76.1162.9000110.1Q1201 L1202 H1209Q1201-I1205 WeakPolarHBondContact O-CA 3.36Å; Q1201-I1205 WeakPolarHBondContact O-CB 3.2Å; Q1201-I1205 WeakPolarHBondContact O-CD1 3.39Å; Q1201-I1205 WeakPolarHBondContact O-CG1 3.37Å; Q1201-I1205 PolarHBondContact O-N 2.85Å; L1202-I1205 CarbonylContact O-C 3.59Å; L1202-I1205 PolarHBondContact O-N 2.97Å; L1202-I1205 VanDerWaalsContact O-N 3.16Å; I1205-H1209 WeakPolarHBondContact O-CA 3.45Å; I1205-H1209 WeakPolarHBondContact O-CB 3.47Å; I1205-H1209 PolarHBondContact O-N 3.44Å
1206N73.4Confident73.2Confident85 Ų8599.6 Ų99.646%0.45549%0.488SS..Hα-helixtrans-89-34.4174.7-70.8-8.7000110.3L1202 K1210L1202-N1206 WeakPolarHBondContact O-CA 3.35Å; L1202-N1206 WeakPolarHBondContact O-CB 3.48Å; L1202-N1206 PolarHBondContact O-N 3.24Å; L1202-N1206 PolarHBondContact O-ND2 2.84Å; L1202-N1206 PolarHBondContact O-OD1 2.84Å; N1206-K1210 WeakPolarHBondContact O-CA 3.1Å; N1206-K1210 WeakPolarHBondContact O-CB 3.34Å; N1206-K1210 PolarHBondContact O-N 2.74Å
1207T76.1Confident72.6Confident71 Ų71103 Ų10344%0.43650%0.498SS..Hα-helixtrans-68.1-49162.8-69.30000108.8D1203 H1209 K1210 E1211D1203-T1207 WeakPolarHBondContact O-CA 3.4Å; D1203-T1207 WeakPolarHBondContact O-CB 3.23Å; D1203-T1207 PolarHBondContact O-N 2.76Å; D1203-T1207 PolarHBondContact O-OG1 3.45Å; D1203-T1207 VanDerWaalsContact O-OG1 3.04Å; T1207-H1209 VanDerWaalsContact C-N 3.26Å; T1207-H1209 PolarHBondContact O-N 2.87Å; T1207-K1210 CarbonylContact O-C 3.56Å; T1207-K1210 PolarHBondContact O-N 2.81Å; T1207-E1211 VanDerWaalsContact CG2-CD 3.47Å; T1207-E1211 HydrophobicContact CG2-CG 4.05Å; T1207-E1211 VanDerWaalsContact CG2-OE1 3.22Å; T1207-E1211 WeakPolarHBondContact CG2-OE1 3.36Å; T1207-E1211 WeakPolarHBondContact O-CA 3.15Å; T1207-E1211 WeakPolarHBondContact O-CB 3.27Å; T1207-E1211 WeakPolarHBondContact O-CG 3.47Å; T1207-E1211 PolarHBondContact O-N 3.1Å
1208C67.1Low71.5Confident70 Ų70101.7 Ų101.747%0.47350%0.496SS..Hα-helixtrans-65.7-25.1173.1-1720000112.7R1204 E1211 M1212R1204-C1208 WeakPolarHBondContact O-CA 3.5Å; R1204-C1208 WeakPolarHBondContact O-CB 3.25Å; R1204-C1208 PolarHBondContact O-N 3.22Å; C1208-E1211 WeakPolarHBondContact CA-OE2 3.46Å; C1208-M1212 WeakPolarHBondContact O-CA 2.93Å; C1208-M1212 WeakPolarHBondContact O-CB 3.31Å; C1208-M1212 PolarHBondContact O-N 2.83Å
1209H75.2Confident70.3Confident94 Ų94100.7 Ų100.744%0.43549%0.49SS..Hα-helixtrans-78.5-33.8169.9-172.2-7000111I1205 T1207 M1212 E1213I1205-H1209 WeakPolarHBondContact O-CA 3.45Å; I1205-H1209 WeakPolarHBondContact O-CB 3.47Å; I1205-H1209 PolarHBondContact O-N 3.44Å; T1207-H1209 VanDerWaalsContact C-N 3.26Å; T1207-H1209 PolarHBondContact O-N 2.87Å; H1209-M1212 CarbonylContact O-C 3.59Å; H1209-M1212 PolarHBondContact O-N 2.89Å; H1209-E1213 IonicContact CE1-OE2 2.6Å; H1209-E1213 PolarHBondContact CE1-OE2 2.81Å; H1209-E1213 VanDerWaalsContact CE1-OE2 3.31Å; H1209-E1213 IonicContact ND1-OE2 3.45Å; H1209-E1213 WeakPolarHBondContact O-CA 3.22Å; H1209-E1213 WeakPolarHBondContact O-CB 3.41Å; H1209-E1213 PolarHBondContact O-N 2.75Å
1210K75Confident69Low148 Ų148100 Ų10064%0.64349%0.492SS*.Hα-helixtrans-78.5-25.3175.2-165.5176.2-175.5-173.80112.1N1206 T1207 E1213 Q1214N1206-K1210 WeakPolarHBondContact O-CA 3.1Å; N1206-K1210 WeakPolarHBondContact O-CB 3.34Å; N1206-K1210 PolarHBondContact O-N 2.74Å; T1207-K1210 CarbonylContact O-C 3.56Å; T1207-K1210 PolarHBondContact O-N 2.81Å; K1210-E1213 CarbonylContact O-C 3.59Å; K1210-Q1214 WeakPolarHBondContact O-CA 3.35Å; K1210-Q1214 WeakPolarHBondContact O-CB 3.48Å; K1210-Q1214 VanDerWaalsContact O-CG 3.25Å; K1210-Q1214 WeakPolarHBondContact O-CG 3.39Å; K1210-Q1214 PolarHBondContact O-N 3.12Å
1211E71Confident67.4Low103 Ų10397.6 Ų97.648%0.48148%0.482SS..Hα-helixtrans-78.7-30164.8-69.6164.8167.800110.3T1207 C1208 T1215T1207-E1211 VanDerWaalsContact CG2-CD 3.47Å; T1207-E1211 HydrophobicContact CG2-CG 4.05Å; T1207-E1211 VanDerWaalsContact CG2-OE1 3.22Å; T1207-E1211 WeakPolarHBondContact CG2-OE1 3.36Å; T1207-E1211 WeakPolarHBondContact O-CA 3.15Å; T1207-E1211 WeakPolarHBondContact O-CB 3.27Å; T1207-E1211 WeakPolarHBondContact O-CG 3.47Å; T1207-E1211 PolarHBondContact O-N 3.1Å; C1208-E1211 WeakPolarHBondContact CA-OE2 3.46Å; E1211-T1215 WeakPolarHBondContact O-CA 3.25Å; E1211-T1215 WeakPolarHBondContact O-CB 3.4Å; E1211-T1215 VanDerWaalsContact O-CG2 3.24Å; E1211-T1215 WeakPolarHBondContact O-CG2 3.04Å; E1211-T1215 PolarHBondContact O-N 2.77Å; E1211-T1215 PolarHBondContact O-OG1 2.95Å
1212M65Low65.8Low103 Ų10396.9 Ų96.951%0.50748%0.48SS..Hα-helixtrans-79.3-19.7169-174.7-178.571.200111.4C1208 H1209 T1215 K1216C1208-M1212 WeakPolarHBondContact O-CA 2.93Å; C1208-M1212 WeakPolarHBondContact O-CB 3.31Å; C1208-M1212 PolarHBondContact O-N 2.83Å; H1209-M1212 CarbonylContact O-C 3.59Å; H1209-M1212 PolarHBondContact O-N 2.89Å; M1212-T1215 WeakPolarHBondContact CA-OG1 3.23Å; M1212-T1215 CarbonylContact O-C 3.57Å; M1212-K1216 WeakPolarHBondContact O-CA 3.3Å; M1212-K1216 WeakPolarHBondContact O-CB 3.4Å; M1212-K1216 PolarHBondContact O-N 3.11Å
1213E68.6Low64Low61 Ų6197.8 Ų97.829%0.28548%0.481SS..Hα-helixtrans-96.4-23.5173.9-144.267.8-155.900111H1209 K1210 K1216 Q1217H1209-E1213 IonicContact CE1-OE2 2.6Å; H1209-E1213 PolarHBondContact CE1-OE2 2.81Å; H1209-E1213 VanDerWaalsContact CE1-OE2 3.31Å; H1209-E1213 IonicContact ND1-OE2 3.45Å; H1209-E1213 WeakPolarHBondContact O-CA 3.22Å; H1209-E1213 WeakPolarHBondContact O-CB 3.41Å; H1209-E1213 PolarHBondContact O-N 2.75Å; K1210-E1213 CarbonylContact O-C 3.59Å; E1213-K1216 WeakPolarHBondContact OE1-CD 3.15Å; E1213-K1216 WeakPolarHBondContact OE1-CE 3.32Å; E1213-K1216 IonicContact OE1-NZ 3.25Å; E1213-K1216 PolarHBondContact OE1-NZ 2.72Å; E1213-Q1217 WeakPolarHBondContact O-CA 3.08Å; E1213-Q1217 WeakPolarHBondContact O-CB 3.28Å; E1213-Q1217 WeakPolarHBondContact O-CG 3.45Å; E1213-Q1217 PolarHBondContact O-N 3.17Å
1214Q65Low62.5Low112 Ų112100 Ų10052%0.52349%0.488SS..Hα-helixtrans-79.4-30.2161-79.3-176.8-74.400111.6K1210 S1218K1210-Q1214 WeakPolarHBondContact O-CA 3.35Å; K1210-Q1214 WeakPolarHBondContact O-CB 3.48Å; K1210-Q1214 VanDerWaalsContact O-CG 3.25Å; K1210-Q1214 WeakPolarHBondContact O-CG 3.39Å; K1210-Q1214 PolarHBondContact O-N 3.12Å; Q1214-S1218 WeakPolarHBondContact O-CA 3.42Å; Q1214-S1218 WeakPolarHBondContact O-CB 3.35Å; Q1214-S1218 PolarHBondContact O-N 2.76Å; Q1214-S1218 PolarHBondContact O-OG 3.38Å
1215T61.6Low60.8Low88 Ų8895.8 Ų95.854%0.5448%0.475SS..Hα-helixtrans-89.5-2.2166.262.30000112.7E1211 M1212 L1219E1211-T1215 WeakPolarHBondContact O-CA 3.25Å; E1211-T1215 WeakPolarHBondContact O-CB 3.4Å; E1211-T1215 VanDerWaalsContact O-CG2 3.24Å; E1211-T1215 WeakPolarHBondContact O-CG2 3.04Å; E1211-T1215 PolarHBondContact O-N 2.77Å; E1211-T1215 PolarHBondContact O-OG1 2.95Å; M1212-T1215 WeakPolarHBondContact CA-OG1 3.23Å; M1212-T1215 CarbonylContact O-C 3.57Å; T1215-L1219 WeakPolarHBondContact O-CA 3.28Å; T1215-L1219 WeakPolarHBondContact O-CB 3.49Å; T1215-L1219 PolarHBondContact O-N 2.83Å
1216K70.1Confident58.8Low83 Ų8395.5 Ų95.536%0.36147%0.472SS..Hα-helixtrans-96.3-28.5160.5176.8177.7156.9-61.10111.3M1212 E1213 L1219 E1220M1212-K1216 WeakPolarHBondContact O-CA 3.3Å; M1212-K1216 WeakPolarHBondContact O-CB 3.4Å; M1212-K1216 PolarHBondContact O-N 3.11Å; E1213-K1216 WeakPolarHBondContact OE1-CD 3.15Å; E1213-K1216 WeakPolarHBondContact OE1-CE 3.32Å; E1213-K1216 IonicContact OE1-NZ 3.25Å; E1213-K1216 PolarHBondContact OE1-NZ 2.72Å; K1216-L1219 CarbonylContact O-C 3.59Å; K1216-E1220 WeakPolarHBondContact CE-OE1 3.46Å; K1216-E1220 HydrophobicContact CG-CG 4.33Å; K1216-E1220 WeakPolarHBondContact CG-OE1 3.44Å; K1216-E1220 IonicContact NZ-OE1 2.67Å; K1216-E1220 PolarHBondContact NZ-OE1 3.15Å; K1216-E1220 WeakPolarHBondContact O-CA 3.36Å; K1216-E1220 WeakPolarHBondContact O-CB 3.46Å; K1216-E1220 WeakPolarHBondContact O-CG 3.2Å; K1216-E1220 PolarHBondContact O-N 2.74Å
1217Q62.3Low57Low125 Ų12596.8 Ų96.858%0.58448%0.479SS*.Hα-helixtrans-68.7-43.4161.7-77.1172.6-14.600110E1213 E1220 F1221E1213-Q1217 WeakPolarHBondContact O-CA 3.08Å; E1213-Q1217 WeakPolarHBondContact O-CB 3.28Å; E1213-Q1217 WeakPolarHBondContact O-CG 3.45Å; E1213-Q1217 PolarHBondContact O-N 3.17Å; Q1217-E1220 PolarHBondContact O-N 2.73Å; Q1217-F1221 WeakPolarHBondContact O-CB 3.21Å; Q1217-F1221 PolarHBondContact O-N 2.94Å
1218S54.1Low55Low62 Ų62102.5 Ų102.543%0.43450%0.498SS..Hα-helixtrans-76.1-17.7172.1-63.40000114Q1214 M1222Q1214-S1218 WeakPolarHBondContact O-CA 3.42Å; Q1214-S1218 WeakPolarHBondContact O-CB 3.35Å; Q1214-S1218 PolarHBondContact O-N 2.76Å; Q1214-S1218 PolarHBondContact O-OG 3.38Å; S1218-M1222 WeakPolarHBondContact O-CA 3.38Å; S1218-M1222 WeakPolarHBondContact O-CB 3.24Å; S1218-M1222 WeakPolarHBondContact O-CG 3.3Å; S1218-M1222 PolarHBondContact O-N 3.37Å
1219L51.8Low53.3Low84 Ų84100.3 Ų100.344%0.4449%0.487SS..Hα-helixtrans-89.9-17.7166.5-170.369.8000112.7T1215 K1216 M1222 Q1223T1215-L1219 WeakPolarHBondContact O-CA 3.28Å; T1215-L1219 WeakPolarHBondContact O-CB 3.49Å; T1215-L1219 PolarHBondContact O-N 2.83Å; K1216-L1219 CarbonylContact O-C 3.59Å; L1219-M1222 HydrophobicContact CD1-CE 4.37Å; L1219-M1222 CarbonylContact O-C 3.55Å; L1219-Q1223 WeakPolarHBondContact O-CA 3.35Å; L1219-Q1223 VanDerWaalsContact O-CB 3.23Å; L1219-Q1223 WeakPolarHBondContact O-CB 3.32Å; L1219-Q1223 PolarHBondContact O-N 3.13Å
1220E50.6Low51.4Low98 Ų98102.7 Ų102.746%0.45850%0.501SS..Hα-helixtrans-79.5-36.7165.6-77.7168.8-158.800110.1K1216 Q1217 Q1223 H1224K1216-E1220 WeakPolarHBondContact CE-OE1 3.46Å; K1216-E1220 HydrophobicContact CG-CG 4.33Å; K1216-E1220 WeakPolarHBondContact CG-OE1 3.44Å; K1216-E1220 IonicContact NZ-OE1 2.67Å; K1216-E1220 PolarHBondContact NZ-OE1 3.15Å; K1216-E1220 WeakPolarHBondContact O-CA 3.36Å; K1216-E1220 WeakPolarHBondContact O-CB 3.46Å; K1216-E1220 WeakPolarHBondContact O-CG 3.2Å; K1216-E1220 PolarHBondContact O-N 2.74Å; Q1217-E1220 PolarHBondContact O-N 2.73Å; E1220-Q1223 CarbonylContact O-C 3.51Å; E1220-Q1223 WeakPolarHBondContact O-CA 3.23Å; E1220-Q1223 VanDerWaalsContact O-CB 3.27Å; E1220-Q1223 WeakPolarHBondContact O-CB 3.5Å; E1220-Q1223 PolarHBondContact O-N 3.26Å; E1220-Q1223 VanDerWaalsContact O-N 3.12Å; E1220-H1224 PolarHBondContact O-N 3.36Å
1221F46Very low49.4Very low81 Ų81102.6 Ų102.636%0.35550%0.503SS..Hα-helixtrans-71-40.3169.7-167.3-104.4000111Q1217 Q1223 H1224 K1225Q1217-F1221 WeakPolarHBondContact O-CB 3.21Å; Q1217-F1221 PolarHBondContact O-N 2.94Å; F1221-Q1223 VanDerWaalsContact C-N 3.31Å; F1221-H1224 CarbonylContact O-C 3.5Å; F1221-H1224 WeakPolarHBondContact O-CA 3.11Å; F1221-H1224 VanDerWaalsContact O-CB 3.22Å; F1221-H1224 WeakPolarHBondContact O-CB 3.48Å; F1221-H1224 PolarHBondContact O-N 3.02Å; F1221-H1224 VanDerWaalsContact O-N 3.07Å; F1221-K1225 PolarHBondContact O-N 2.96Å
1222M40.1Very low47.5Very low96 Ų96101.9 Ų101.947%0.47351%0.506SS..Hα-helixtrans-73.5-14.5163.3-71.8-161.4-62.100113.3S1218 L1219 K1225 Q1226S1218-M1222 WeakPolarHBondContact O-CA 3.38Å; S1218-M1222 WeakPolarHBondContact O-CB 3.24Å; S1218-M1222 WeakPolarHBondContact O-CG 3.3Å; S1218-M1222 PolarHBondContact O-N 3.37Å; L1219-M1222 HydrophobicContact CD1-CE 4.37Å; L1219-M1222 CarbonylContact O-C 3.55Å; M1222-K1225 CarbonylContact O-C 3.52Å; M1222-K1225 PolarHBondContact O-N 2.78Å; M1222-Q1226 WeakPolarHBondContact O-CA 3.31Å; M1222-Q1226 WeakPolarHBondContact O-CB 3.45Å; M1222-Q1226 WeakPolarHBondContact O-CG 3.39Å; M1222-Q1226 PolarHBondContact O-N 2.83Å
1223Q42.2Very low45.7Very low110 Ų110101.7 Ų101.751%0.51451%0.505SS..Hα-helixtrans-72.8-26.8163.6-141.486.970.200109.6L1219 E1220 F1221L1219-Q1223 WeakPolarHBondContact O-CA 3.35Å; L1219-Q1223 VanDerWaalsContact O-CB 3.23Å; L1219-Q1223 WeakPolarHBondContact O-CB 3.32Å; L1219-Q1223 PolarHBondContact O-N 3.13Å; E1220-Q1223 CarbonylContact O-C 3.51Å; E1220-Q1223 WeakPolarHBondContact O-CA 3.23Å; E1220-Q1223 VanDerWaalsContact O-CB 3.27Å; E1220-Q1223 WeakPolarHBondContact O-CB 3.5Å; E1220-Q1223 PolarHBondContact O-N 3.26Å; E1220-Q1223 VanDerWaalsContact O-N 3.12Å; F1221-Q1223 VanDerWaalsContact C-N 3.31Å
1224H43.1Very low43.8Very low128 Ų128101.5 Ų101.559%0.59351%0.508SS*.Hα-helixtrans-77-27169.3-114.6-82.3000113.5E1220 F1221 R2574E1220-H1224 PolarHBondContact O-N 3.36Å; F1221-H1224 CarbonylContact O-C 3.5Å; F1221-H1224 WeakPolarHBondContact O-CA 3.11Å; F1221-H1224 VanDerWaalsContact O-CB 3.22Å; F1221-H1224 WeakPolarHBondContact O-CB 3.48Å; F1221-H1224 PolarHBondContact O-N 3.02Å; F1221-H1224 VanDerWaalsContact O-N 3.07Å; H1224-R2574 PolarHBondContact CD2-NH2 3.4Å; H1224-R2574 PolarHBondContact NE2-NH2 2.73Å
1225K40.4Very low42.2Very low101 Ų101103.9 Ų103.944%0.43952%0.517SS..Hα-helixtrans-94.1-12.9170.5-73.1-178.6174.4174.80114.5F1221 M1222 E1879F1221-K1225 PolarHBondContact O-N 2.96Å; M1222-K1225 CarbonylContact O-C 3.52Å; M1222-K1225 PolarHBondContact O-N 2.78Å; K1225-E1879 WeakPolarHBondContact CE-OE1 3.42Å; K1225-E1879 IonicContact NZ-OE1 2.69Å; K1225-E1879 PolarHBondContact NZ-OE1 2.82Å
1226Q35.3Very low40.6Very low102 Ų102104.1 Ų104.148%0.47752%0.521SS..THydrogen-bonded Turntrans-104.619.7175.4-69.7-160.6-19.700115.2M1222M1222-Q1226 WeakPolarHBondContact O-CA 3.31Å; M1222-Q1226 WeakPolarHBondContact O-CB 3.45Å; M1222-Q1226 WeakPolarHBondContact O-CG 3.39Å; M1222-Q1226 PolarHBondContact O-N 2.83Å
1227D36.6Very low38.6Very low112 Ų112106.7 Ų106.760%0.59953%0.534SS*.THydrogen-bonded Turntrans-105.919.6151.5-115.9-25.7000113.9
1228K34.3Very low37Very low192 Ų192106.6 Ų106.684%0.83554%0.538SS*.THydrogen-bonded Turntrans-124.437.1138-66.9-169.9178.6177.30110.7T1232K1228-T1232 PolarHBondContact O-OG1 3.44Å
1229G30.8Very low35.7Very low24 Ų24112.7 Ų112.725%0.24756%0.564CS.*THydrogen-bonded Turntrans-115-39.6179.800000114.4T1232G1229-T1232 VanDerWaalsContact C-OG1 3.27Å; G1229-T1232 WeakPolarHBondContact O-CB 3.42Å; G1229-T1232 PolarHBondContact O-OG1 2.86Å
1230I35Very low34.6Very low144 Ų144112.9 Ų112.974%0.73857%0.573SS**SBendtrans-136.862.6161.3-49.8-178.1000108.1
1231Q32.6Very low33.4Very low145 Ų145112.9 Ų112.968%0.67858%0.576SS**SBend-99.519.3102.8-147.517318.500115.9M1233 V1234Q1231-M1233 PolarHBondContact O-N 3.39Å; Q1231-V1234 WeakPolarHBondContact CG-O 3.48Å
1232T31.3Very low32.6Very low88 Ų88115 Ų11554%0.5459%0.591SS.*  trans-72.940.3171.7-42.20000113.4K1228 G1229K1228-T1232 PolarHBondContact O-OG1 3.44Å; G1229-T1232 VanDerWaalsContact C-OG1 3.27Å; G1229-T1232 WeakPolarHBondContact O-CB 3.42Å; G1229-T1232 PolarHBondContact O-OG1 2.86Å
1233M26.8Very low32.1Very low99 Ų99117.7 Ų117.749%0.48861%0.605SS.*SBendtrans-159.5114.2153.7-113.9-167.9-81.700108Q1231 L2104Q1231-M1233 PolarHBondContact O-N 3.39Å; M1233-L2104 HydrophobicContact CG-CD1 3.78Å; M1233-L2104 HydrophobicContact SD-CB 4.29Å; M1233-L2104 HydrophobicContact SD-CD1 3.56Å; M1233-L2104 VanDerWaalsContact SD-CD1 3.56Å
1234V30.4Very low31.5Very low58 Ų58117 Ų11735%0.35260%0.601SS.*SBendtrans67.9100.6-171.7-166.90000113.3Q1231 V2100Q1231-V1234 WeakPolarHBondContact CG-O 3.48Å; V1234-V2100 HydrophobicContact CG2-CG1 3.72Å
1235F29.8Very low30.7Very low162 Ų162117.5 Ų117.571%0.71161%0.607SS**  cis-107.2111.412.8-117.8-89.1000113.6Q1237F1235-Q1237 HydrophobicContact CD1-CB 4.31Å; F1235-Q1237 PolarHBondContact O-N 2.89Å
1236C28.2Very low30.1Very low92 Ų92120 Ų12062%0.62262%0.618SS**  trans-9168.3173.1-57.40000111
1237Q28Very low29.9Very low138 Ų138120.7 Ų120.765%0.64563%0.629SS**  trans-154.7125.5169.4-78.5179.8-11.300108.1F1235F1235-Q1237 HydrophobicContact CD1-CB 4.31Å; F1235-Q1237 PolarHBondContact O-N 2.89Å
1238N29.1Very low29.4Very low123 Ų123118.2 Ų118.266%0.65862%0.621SS**SBendcis-139.1110.7-7.6-69.8-57.1000110.1
1239L26.7Very low29.1Very low190 Ų190116.7 Ų116.7100%0.99562%0.621SS**SBendtrans-11642.1158.2-105.8171.8000110.4
1240S28.7Very low28.9Very low87 Ų87121 Ų12161%0.60864%0.643SS**SBendtrans-159.1139.5168.6-173.70000108.4
1241N26.4Very low28.7Very low98 Ų98122.6 Ų122.652%0.52465%0.647SS.*SBendtrans66.1112.8-157-45.4-88.7000111.7K1244N1241-K1244 WeakPolarHBondContact OD1-CE 3.42Å; N1241-K1244 PolarHBondContact OD1-NZ 2.97Å
1242D28.2Very low28.4Very low125 Ų125123.7 Ų123.767%0.66865%0.651SS**SBendcis-121.676.810.4-81.2-28.2000114.5K1244D1242-K1244 VanDerWaalsContact C-N 3.28Å; D1242-K1244 WeakPolarHBondContact OD1-CD 3.49Å; D1242-K1244 WeakPolarHBondContact OD1-CE 3.48Å; D1242-K1244 VanDerWaalsContact OD1-CG 3.26Å; D1242-K1244 WeakPolarHBondContact OD1-CG 3.45Å; D1242-K1244 IonicContact OD1-NZ 3.98Å; D1242-K1244 PolarHBondContact OD1-NZ 3.16Å; D1242-K1244 IonicContact OD2-NZ 2.73Å
1243I29.9Very low28.2Very low153 Ų153126.7 Ų126.779%0.78566%0.661SS**SBend-98.467.9128.4-57.6178.1000107.7L1245I1243-L1245 HydrophobicContact CG2-CD1 4.4Å; I1243-L1245 HydrophobicContact CG2-CG 4.36Å
1244K28.8Very low28.1Very low97 Ų97127.4 Ų127.442%0.42268%0.676SS.*  trans-85.2116.2147.2-66-179.2-174.292.80104.1N1241 D1242 K1246N1241-K1244 WeakPolarHBondContact OD1-CE 3.42Å; N1241-K1244 PolarHBondContact OD1-NZ 2.97Å; D1242-K1244 VanDerWaalsContact C-N 3.28Å; D1242-K1244 WeakPolarHBondContact OD1-CD 3.49Å; D1242-K1244 WeakPolarHBondContact OD1-CE 3.48Å; D1242-K1244 VanDerWaalsContact OD1-CG 3.26Å; D1242-K1244 WeakPolarHBondContact OD1-CG 3.45Å; D1242-K1244 IonicContact OD1-NZ 3.98Å; D1242-K1244 PolarHBondContact OD1-NZ 3.16Å; D1242-K1244 IonicContact OD2-NZ 2.73Å; K1244-K1246 HydrophobicContact CB-CB 4Å; K1244-K1246 HydrophobicContact CB-CG 4.22Å; K1244-K1246 HydrophobicContact CD-CB 4.45Å; K1244-K1246 HydrophobicContact CD-CD 4.14Å; K1244-K1246 HydrophobicContact CD-CG 3.99Å; K1244-K1246 HydrophobicContact CG-CG 4.39Å
1245L28Very low27.9Very low138 Ų138129.1 Ų129.172%0.72369%0.69SS**  cis38.63529.5-71.1-179.5000113.3I1243 T1247I1243-L1245 HydrophobicContact CG2-CD1 4.4Å; I1243-L1245 HydrophobicContact CG2-CG 4.36Å; L1245-T1247 VanDerWaalsContact C-N 3.26Å
1246K27Very low27.7Very low154 Ų154126.7 Ų126.767%0.6769%0.693SS**  trans-96.840.6151-99.4-159.3170.2-172.80112.3K1244 S1248K1244-K1246 HydrophobicContact CB-CB 4Å; K1244-K1246 HydrophobicContact CB-CG 4.22Å; K1244-K1246 HydrophobicContact CD-CB 4.45Å; K1244-K1246 HydrophobicContact CD-CD 4.14Å; K1244-K1246 HydrophobicContact CD-CG 3.99Å; K1244-K1246 HydrophobicContact CG-CG 4.39Å; K1246-S1248 PolarHBondContact O-N 3.19Å
1247T31.5Very low27.7Very low115 Ų115128.6 Ų128.671%0.70670%0.696SS**  trans-63.944.7130.639.20000111.1L1245 L1249L1245-T1247 VanDerWaalsContact C-N 3.26Å; T1247-L1249 PolarHBondContact O-N 2.88Å
1248S25.8Very low27.7Very low60 Ų60128.9 Ų128.942%0.4270%0.697SS.*  trans-72.785.7168.157.90000107.2K1246 T1250K1246-S1248 PolarHBondContact O-N 3.19Å; S1248-T1250 PolarHBondContact O-N 3.45Å; S1248-T1250 PolarHBondContact O-OG1 2.67Å
1249L28.7Very low27.7Very low160 Ų160132.3 Ų132.384%0.83870%0.701SS**  trans-63.576.7179.5-177.470.8000110.5T1247T1247-L1249 PolarHBondContact O-N 2.88Å
1250T26.5Very low27.6Very low116 Ų116129.8 Ų129.871%0.71269%0.685SS**  trans-12977.1175.950.60000111S1248S1248-T1250 PolarHBondContact O-N 3.45Å; S1248-T1250 PolarHBondContact O-OG1 2.67Å
1251H30.4Very low27.6Very low177 Ų177132.2 Ų132.282%0.81969%0.687SS**  trans31.396.8147.8-67.9-88.9000118.3
1252H26.2Very low27.9Very low167 Ų167135.9 Ų135.977%0.77370%0.7SS**  trans-152.6131.8130.5-130.6-123.8000113.5
1253M27Very low27.8Very low152 Ų152137.4 Ų137.475%0.74970%0.703SS**  trans52.588.7160.7-58-58.3156.300119.7
1254S25.3Very low27.8Very low113 Ų113135.8 Ų135.879%0.7971%0.705SS**  trans-56.7160.8132.8-51.80000111.6
1255S25.2Very low28.1Very low95 Ų95138.9 Ų138.966%0.66473%0.726SS**  trans73.586.8160.9-175.40000119.3
1256S26.5Very low28.4Very low110 Ų110138 Ų13877%0.76973%0.728SS**  -163.7128.5110.7-77.60000108.8
1257I27.7Very low28.5Very low132 Ų132134.6 Ų134.668%0.67773%0.729SS**  71.8123.751.3-59.2175000112.5
1258H28.2Very low28.3Very low144 Ų144135.9 Ų135.967%0.66773%0.731SS**  trans97.4115.3158.5-89.913.6000121.9
1259R28.1Very low28.6Very low196 Ų196141.8 Ų141.874%0.7475%0.749SS**  trans89.1151.2139.2-65.3170.3-173.3-163.83.3119.3
1260M25.6Very low28.5Very low136 Ų136139.4 Ų139.467%0.6775%0.746SS**  cis170.7130.5-35.9-111.9-156.3-56.300107.8
1261H29.3Very low29Very low138 Ų138139.6 Ų139.664%0.63975%0.749SS**  trans61.3155.6169-58.1-71.7000115.4
1262H32.4Very low28.8Very low175 Ų175136.1 Ų136.181%0.8175%0.745SS**  cis-143165.131-85.3-89000114.5
1263H26.8Very low29Very low157 Ų157137.9 Ų137.973%0.72775%0.751SS**  trans-73.8154.9176.4-34.8-102.4000113.5
1264S29.8Very low29Very low119 Ų119135.8 Ų135.883%0.83275%0.751SS**  -175.6132.1113.949.80000116
1265L33.6Very low29.2Very low163 Ų163134.6 Ų134.685%0.85374%0.743SS**  trans-75.6171.1153.6-88.3165.6000109.5
1266P36Very low29.3Very low119 Ų119136.9 Ų136.977%0.77375%0.747SS**  cis-152.5175.136.443.8-22.2000120.9
1267A27.9Very low29.5Very low82 Ų82138 Ų13868%0.67874%0.744SS**  trans-24.3164.7160.500000121.4
1268L28.4Very low29.6Very low143 Ų143139.5 Ų139.575%0.74975%0.749SS**  -173.4153.4111.6-97.8168.7000114.9
1269F30.5Very low29.6Very low184 Ų184139.4 Ų139.481%0.80775%0.753SS**  trans78.6100.1165.2-60-63.5000122.5
1270S28.2Very low29.7Very low109 Ų109136.1 Ų136.176%0.76276%0.755SS**  trans-87.6177.3142.6-36.40000109.7
1271P35.1Very low29.8Very low121 Ų121132.8 Ų132.879%0.78676%0.755SS**  -148.8165.66940.1-20.7000117.6
1272S27Very low29.9Very low104 Ų104131.8 Ų131.873%0.72776%0.759SS**  trans-96.6163.9168.351.90000112.4
1273F29.9Very low29.7Very low204 Ų204128.3 Ų128.390%0.89574%0.743SS**  trans-153.4139.8153.3-96.1-67.5000113.1
1274S27.6Very low29.8Very low108 Ų108125.6 Ų125.676%0.75573%0.732SS**  trans-88.9-174.116452.60000109.5
1275S28.6Very low29.7Very low88 Ų88123.9 Ų123.962%0.61572%0.719SS**  cis-171.7158.526.161.90000113.5
1276N28.1Very low29.5Very low143 Ų143121 Ų12177%0.76570%0.701SS**  trans73.7155.2143.7-63.47.9000122.5
1277N31.2Very low29.2Very low132 Ų132118.4 Ų118.471%0.70670%0.697SS**  trans68.6146.8169.1-6660.9000117.5
1278E28.6Very low29.2Very low165 Ų165120.6 Ų120.677%0.77170%0.697SS**  cis179.5143.4-34.6-118.2171.9173.400107.5
1279D29.8Very low29.3Very low141 Ų141120.2 Ų120.275%0.75470%0.695SS**  trans56.4143.6151.1-154.515000122.8
1280T28.6Very low29.2Very low128 Ų128117.4 Ų117.479%0.78569%0.688SS**  trans60.5152.3172.871.50000118.1
1281G27.7Very low29.3Very low65 Ų65118.9 Ų118.967%0.6769%0.686SS**  cis147.1147.8-8.100000112.9
1282V32.4Very low29Very low117 Ų117120.8 Ų120.871%0.70969%0.685SS**  trans72.8121.7158.7176.90000118.6
1283E27.4Very low29Very low102 Ų102120.1 Ų120.148%0.47768%0.68SS.*  trans43.3139.4141.8-58.1166.4-162.200119.9
1284M28.7Very low28.9Very low101 Ų101117.4 Ų117.450%0.49867%0.674SS.*  cis-174.217836.3-136166.7-39.300114.4T340 P341T340-M1284 VanDerWaalsContact CB-SD 3.55Å; T340-M1284 HydrophobicContact CG2-CG 4.31Å; T340-M1284 HydrophobicContact CG2-SD 4.05Å; P341-M1284 HydrophobicContact CB-CE 3.72Å; P341-M1284 HydrophobicContact CB-SD 3.33Å; P341-M1284 WeakPolarHBondContact CB-SD 3.38Å
1285S29.6Very low29Very low82 Ų82121 Ų12157%0.57368%0.679SS**  trans-45.9156.9166.5-42.40000115.3
1286Q28.2Very low28.9Very low102 Ų102121.1 Ų121.148%0.47768%0.68SS.*  -162150.768.7-149.570.2-5.200107.6
1287G29.2Very low28.9Very low66 Ų66122 Ų12268%0.6868%0.682SS**  64.2137.277.100000113
1288L29.4Very low28.7Very low128 Ų128120.5 Ų120.567%0.6768%0.682SS**  cis-149.3155.524.8-113.667.5000109
1289L29.4Very low29.1Very low135 Ų135118 Ų11871%0.70768%0.681SS**  51.2140.498.2-55.7-175.8000115.3
1290D29.9Very low29.4Very low124 Ų124115.5 Ų115.566%0.66367%0.672SS**  cis-163.9-172.19.9-123.7-26.3000112.6
1291L29.3Very low29.3Very low140 Ų140111 Ų11173%0.73364%0.644SS**  trans81.5104.7165.4-47.9-176.5000116.4
1292E27.9Very low29.4Very low162 Ų162110.5 Ų110.576%0.75763%0.634SS**  cis102.2116.947.7-84-169.8145.700113.4
1293S26.9Very low29.3Very low90 Ų90111.1 Ų111.163%0.62963%0.627SS**  85.3125.2126.2-64.70000122.5
1294I27.9Very low29.4Very low147 Ų147110.5 Ų110.575%0.75463%0.634SS**  trans75.9135.8143.1-61161.8000114.7
1295E29.9Very low29.9Very low183 Ų183110.8 Ų110.886%0.85564%0.644SS**  cis-139.5-171.214.2-151.8139.4-145.300113.6
1296S26.5Very low30Very low91 Ų91114 Ų11464%0.63665%0.653SS**  trans-122-176.1-173.361.70000113.2
1297I28.3Very low30Very low161 Ų161115.4 Ų115.483%0.82666%0.662SS**  trans82.8155.2166.1-57.7154.9000116.3
1298S27.9Very low30Very low100 Ų100119.7 Ų119.770%0.69966%0.664SS**  trans-142.8-170.1-158.363.90000112.2
1299P37.2Very low30Very low114 Ų114120.1 Ų120.174%0.7467%0.668SS**  cis-121.7-43.9-35.416.8-2.1000123.5
1300P34.5Very low30Very low88 Ų88120.6 Ų120.657%0.57167%0.67SS**  -131.5162.9-114.738.8-21.6000120.4
1301T27.8Very low30.1Very low32 Ų32121.1 Ų121.120%0.19667%0.671CS.*  trans63.498.5147.641.30000123.1Q2519 Q2520 S2521T1301-Q2519 CarbonylContact C-O 3.59Å; T1301-Q2519 HydrophobicContact CG2-CB 3.84Å; T1301-Q2519 VanDerWaalsContact CG2-CD 3.47Å; T1301-Q2519 HydrophobicContact CG2-CG 3.55Å; T1301-Q2519 VanDerWaalsContact N-OE1 3.12Å; T1301-Q2520 PolarHBondContact O-NE2 2.87Å; T1301-S2521 PolarHBondContact OG1-OG 3.44Å
1302A29.4Very low30.2Very low56 Ų56121.2 Ų121.246%0.46367%0.672SS.*  trans-147.934.4174.300000122.4H2518 Q2519A1302-H2518 VanDerWaalsContact C-CD2 3.43Å; A1302-H2518 PolarHBondContact O-CD2 2.78Å; A1302-Q2519 CarbonylContact C-O 3.4Å; A1302-Q2519 PolarHBondContact N-O 2.84Å
1303K29.6Very low30.3Very low129 Ų129121.2 Ų121.256%0.56167%0.674SS**  trans69132163-71.8-159.8171.786.70122.2H2518 Q2519 Q2520K1303-H2518 CarbonylContact C-O 3.45Å; K1303-H2518 VanDerWaalsContact C-O 3.24Å; K1303-H2518 WeakPolarHBondContact CA-O 3.33Å; K1303-H2518 PolarHBondContact N-O 3.49Å; K1303-Q2519 PolarHBondContact N-O 3.2Å; K1303-Q2520 HydrophobicContact CB-CB 4.27Å; K1303-Q2520 HydrophobicContact CD-CB 4.34Å; K1303-Q2520 HydrophobicContact CG-CB 3.3Å; K1303-Q2520 HydrophobicContact CG-CG 4.12Å
1304S29.5Very low30.7Very low90 Ų90119.8 Ų119.863%0.62967%0.674SS**  trans-56.2157.8153.9-160.70000112.8H2518S1304-H2518 PolarHBondContact N-O 2.89Å
1305P39.7Very low31.1Very low107 Ų107120.1 Ų120.170%0.69567%0.671SS**  -148.3147.289.731.1-10.5000118
1306I30.9Very low31.3Very low150 Ų150117.6 Ų117.677%0.76966%0.66SS**  trans40.3135.4130.4-34.9159.6000120.1
1307I29.1Very low31.6Very low130 Ų130120.6 Ų120.667%0.66766%0.661SS**  159.1130.7123.8-83.1172.8000114.5
1308Q29.4Very low31.7Very low156 Ų156118.4 Ų118.473%0.72966%0.659SS**  trans62.1123.8158.5-75.4151.26.500119.4
1309D28Very low31.8Very low138 Ų138118.3 Ų118.374%0.73866%0.659SS**  60.812090.8-50.9-17.1000112
1310L30.3Very low31.5Very low145 Ų145117.8 Ų117.876%0.75966%0.658SS**  -174.5132.671.8-79.8169.5000108.2
1311I31.2Very low31.8Very low135 Ų135118.7 Ų118.769%0.69266%0.663SS**  96.2138.271.8-133.6172.6000114.4
1312L32.2Very low32Very low142 Ų142125 Ų12574%0.74369%0.69SS**  trans69.3153166.4-62.8167.9000119.1
1313M30.3Very low32.2Very low161 Ų161129 Ų12979%0.79370%0.704SS**  cis-171.5153.8-29.4-151.4-144.8-55.900110.9
1314G35.3Very low32.3Very low61 Ų61130 Ų13063%0.62971%0.711SS**  trans130.1120.1163.900000113.5
1315H36.6Very low32.5Very low153 Ų153131.4 Ų131.471%0.70871%0.711SS**  69.6132.257.8-70.5-106.5000112.9
1316E34.3Very low32.2Very low131 Ų131132.2 Ų132.261%0.61271%0.709SS**  cis-162.7141.920.4-131.6171.8-147.200118.6
1317K32.7Very low32.1Very low153 Ų153132.6 Ų132.667%0.66571%0.708SS**  trans56.2130.1137.4-80.2168.2-152.4153.30126.5
1318C29.6Very low32.4Very low116 Ų116132.8 Ų132.878%0.78472%0.715SS**  trans72.1163.2133.3-64.40000119.5
1319S30.7Very low32.4Very low98 Ų98131.6 Ų131.669%0.68571%0.713SS**  cis-149.91445.8-125.60000109
1320S29.7Very low32.4Very low103 Ų103133.2 Ų133.272%0.7272%0.718SS**  95.7156.160.796.30000113.3
1321P42.5Very low32.4Very low106 Ų106129.3 Ų129.369%0.68871%0.713SS**  -133.6-124.5-119.941.3-19.2000113.9
1322E32.2Very low32.4Very low164 Ų164128 Ų12877%0.76672%0.715SS**  trans72.4151.3178.5-56.4160.6-15400114.2
1323D32.4Very low32.4Very low142 Ų142126.5 Ų126.576%0.75972%0.715SS**  cis-158.1179.7-33-89.9-29.2000103.3
1324E32.5Very low32.4Very low150 Ų150125.7 Ų125.770%0.70171%0.712SS**  cis-179.9171.430.3-152.1179.8-139.800105.8
1325N32.2Very low32.1Very low119 Ų119127.2 Ų127.264%0.63671%0.713SS**  trans66.7151.9155.6-58.1-37.6000120.1
1326L34.1Very low31.7Very low124 Ų124126 Ų12665%0.64971%0.711SS**  cis-155.1145.3-16.6-113.1167.6000111
1327Q29Very low31.5Very low158 Ų158128.4 Ų128.474%0.73872%0.72SS**  trans-4.5126.7154.4-61.6156.79.300119.1
1328T35.4Very low31.5Very low134 Ų134128 Ų12882%0.82273%0.725SS**  -167.6105.3124.5-77.50000107.3
1329L29.1Very low31.7Very low131 Ų131128.6 Ų128.669%0.68672%0.72SS**  68.4117.678.6-96.774.8000115.1
1330M28.3Very low31.8Very low172 Ų172131.2 Ų131.285%0.84772%0.722SS**  trans65.2131.2142.2-47.9-78.9-82.100117.8
1331G29.8Very low31.8Very low62 Ų62132.9 Ų132.964%0.63972%0.722SS**  cis131.4-1741.800000112.4
1332S31.1Very low31.3Very low107 Ų107135.6 Ų135.675%0.74873%0.726SS**  trans73.4159.6-178.9-140000115.4
1333P33.4Very low31.3Very low112 Ų112133.5 Ų133.573%0.72772%0.72SS**  cis-119.6159.8-30.941.4-28.1000110
1334I28.9Very low31.3Very low143 Ų143134.7 Ų134.773%0.73372%0.72SS**  cis69.6122.641.8-57.6169.2000112.5
1335S29Very low31.1Very low93 Ų93135.1 Ų135.165%0.6573%0.726SS**  trans64.4162.6162.4-66.90000118.3
1336D29.7Very low31Very low127 Ų127132.8 Ų132.868%0.67972%0.717SS**  cis-174148.3-33.1-91.1-36.5000105.5
1337K30.5Very low30.9Very low183 Ų183130.2 Ų130.280%0.79670%0.702SS**  trans69.5154.9176.5-40.5177.7-168.7178.40112.3
1338D30.6Very low30.7Very low144 Ų144126.8 Ų126.877%0.7769%0.688SS**  cis-123.4163.315.5-45.3-56.6000109.9
1339D33.9Very low30.4Very low128 Ų128125.3 Ų125.368%0.68467%0.673SS**  cis-156.9-176-6.8-125.4-25.9000109.7
1340E33.4Very low30.2Very low154 Ų154125.6 Ų125.672%0.7267%0.674SS**  trans51.385.1180-65.6-157.315900114.4
1341L29.8Very low30.2Very low138 Ų138122.2 Ų122.272%0.72367%0.668SS**  36.3120.862-63.2100.5000113.8
1342E31.5Very low30.1Very low163 Ų163124 Ų12476%0.76267%0.67SS**  -169.3144.797.7-86.8-144.5134.900111
1343N33.1Very low29.9Very low120 Ų120127.8 Ų127.864%0.64268%0.676SS**  trans26.5121.3134.7-37.7-36.1000116.5
1344E31Very low29.9Very low166 Ų166129.3 Ų129.378%0.77667%0.673SS**  cis-153.7135.336.7-76.6-174.2141.700112.6
1345I28.9Very low30Very low160 Ų160127.8 Ų127.882%0.82167%0.666SS**  -66.7138129.3-70.2168.5000106.2
1346P31.2Very low30.2Very low69 Ų69129.9 Ų129.945%0.44867%0.67SS.*  cis-116.4-128.818.818.48.5000111
1347E31.3Very low30.5Very low70 Ų70129.2 Ų129.233%0.32767%0.671SS.*  cis-162.6151.84.1-156.2153.6-172.300114.4T2554 R2556E1347-T2554 VanDerWaalsContact CD-N 3.31Å; E1347-T2554 VanDerWaalsContact CG-C 3.47Å; E1347-T2554 WeakPolarHBondContact OE1-CA 3.4Å; E1347-T2554 PolarHBondContact OE1-N 3.07Å; E1347-T2554 VanDerWaalsContact OE1-O 3.05Å; E1347-T2554 PolarHBondContact OE1-OG1 2.79Å; E1347-R2556 IonicContact OE1-NH2 3.83Å; E1347-R2556 IonicContact OE2-CZ 3.81Å; E1347-R2556 IonicContact OE2-NH1 2.65Å; E1347-R2556 PolarHBondContact OE2-NH1 2.89Å; E1347-R2556 IonicContact OE2-NH2 3.76Å; E1347-R2556 PolarHBondContact OE2-NH2 3.17Å
1348I25.7Very low30.6Very low87 Ų87126 Ų12645%0.44667%0.666SS.*  trans-90.1134.4-173.7-40.5166.7000111.2Q2553 T2554 V2555I1348-Q2553 WeakPolarHBondContact CB-O 3.48Å; I1348-T2554 CarbonylContact O-C 3.56Å; I1348-T2554 VanDerWaalsContact O-C 3.31Å; I1348-T2554 WeakPolarHBondContact O-CA 3.5Å; I1348-V2555 PolarHBondContact O-N 3.33Å
1349M27.8Very low31Very low102 Ų102124.5 Ų124.550%0.50266%0.664SS.*  trans-179.8127.2135-88.3-151.770.700107.5V2555M1349-V2555 HydrophobicContact CB-CG2 3.9Å; M1349-V2555 HydrophobicContact CG-CG2 3.66Å; M1349-V2555 HydrophobicContact SD-CG2 3.21Å; M1349-V2555 WeakPolarHBondContact SD-CG2 3.33Å
1350L25.7Very low30.9Very low138 Ų138123 Ų12372%0.72366%0.664SS**  65.558.662.1-65.6178.7000115.1
1351S27.6Very low30.9Very low101 Ų101122.5 Ų122.571%0.70667%0.666SS**  trans-165.4107.5144.453.20000107.3
1352S27.2Very low31Very low98 Ų98121.1 Ų121.169%0.68567%0.666SS**  cis59.770.527.6-152.90000112.8
1353E28.6Very low31Very low187 Ų187119.6 Ų119.687%0.87467%0.667SS**  trans-125.4136147.2-83.7-162.4154.600108.9
1354H32.1Very low31Very low145 Ų145117.7 Ų117.767%0.67166%0.664SS**  cis-150.4160.6-27.3-148.7-104.6000110.2
1355L31.5Very low31.1Very low111 Ų111114.7 Ų114.758%0.58165%0.65SS**  trans-40.7145.8175.9-72.356.3000114.5
1356D33.2Very low31.4Very low137 Ų137113 Ų11373%0.73364%0.643SS**  -178.8139.298.1-102.8-42.6000111.7
1357T35.7Very low31.6Very low113 Ų113113.7 Ų113.769%0.69365%0.653SS**  cis-144.81500.6-550000111.5
1358T32.4Very low31.6Very low115 Ų115115.4 Ų115.471%0.70667%0.672SS**  trans-47.9173.3164.529.40000115.9
1359P39.3Very low31.8Very low112 Ų112115.9 Ų115.973%0.72768%0.682SS**  cis-143139.934.542.7-21.9000118.3
1360S32.3Very low31.9Very low97 Ų97120.1 Ų120.168%0.67870%0.698SS**  93.3155.383.486.60000114.3
1361L33.8Very low32.2Very low144 Ų144118.8 Ų118.875%0.75470%0.696SS**  cis-152.3141.6-1-99.2132.3000106.3
1362C31.5Very low32.4Very low109 Ų109120.3 Ų120.374%0.73670%0.696SS**  65.114972.9-540000114.4
1363V31.8Very low32.6Very low130 Ų130121 Ų12179%0.78870%0.7SS**  cis-174.6162.73.9118.80000107.8
1364S33.1Very low32.8Very low80 Ų80118 Ų11856%0.55970%0.695SS**  cis-175.4155.6-33.4-86.90000111.9
1365E32.5Very low32.8Very low104 Ų104118 Ų11849%0.48670%0.7SS.*  trans71.1162152.3-73-168.510400125.6F2544 R2546E1365-F2544 HydrophobicContact CG-CE1 3.84Å; E1365-F2544 HydrophobicContact CG-CZ 4.5Å; E1365-R2546 IonicContact OE1-CZ 2.61Å; E1365-R2546 IonicContact OE1-NE 3.7Å; E1365-R2546 PolarHBondContact OE1-NE 3.03Å; E1365-R2546 IonicContact OE1-NH2 3.88Å; E1365-R2546 PolarHBondContact OE1-NH2 2.7Å
1366N34.9Very low32.9Very low125 Ų125117.1 Ų117.167%0.66870%0.703SS**  trans83.2147.4157.6-62.1-41.9000120.2R2546N1366-R2546 PolarHBondContact OD1-NH2 3.48Å; N1366-R2546 VanDerWaalsContact OD1-NH2 3.15Å
1367A35.5Very low32.7Very low82 Ų82118.5 Ų118.568%0.67871%0.71SS**  cis-166.1156.8-20.600000112.3
1368C30.8Very low32.7Very low107 Ų107117.9 Ų117.972%0.72371%0.708SS**  trans32113.2150-1750000121.4
1369C31Very low32.5Very low97 Ų97120.6 Ų120.666%0.65571%0.713SS**  92.5121.8120.6-51.90000122.5
1370K30.2Very low32.2Very low190 Ų190121 Ų12183%0.82671%0.713SS**  88.2147127.9-81.1-174177.3-169.40122.4
1371T31.9Very low32Very low111 Ų111122 Ų12268%0.68172%0.716SS**  trans76.8115.8147.942.20000120.8
1372D31.1Very low31.9Very low132 Ų132121.1 Ų121.171%0.70672%0.72SS**  83.577.7124.8-54.5-5.2000121.3
1373S30.4Very low31.9Very low112 Ų112120 Ų12078%0.78372%0.719SS**  69.7-167.8122.777.80000118.9
1374V34.4Very low31.9Very low125 Ų125121 Ų12176%0.75872%0.718SS**  trans68.289.3177-1660000116.4
1375D31Very low31.7Very low145 Ų145121.9 Ų121.978%0.77572%0.724SS**  56.8152.1109-140-26.9000121.5
1376S33.8Very low31.8Very low93 Ų93123.1 Ų123.165%0.6573%0.734SS**  trans73.299.7153.1-63.80000121.6
1377D30Very low31.8Very low166 Ų166123.3 Ų123.389%0.88874%0.735SS**  70.5166.1126.2-99.57.3000121.5
1378P34.9Very low31.9Very low99 Ų99126.3 Ų126.364%0.64374%0.739SS**  trans-116.7-159.1-154.942.9-32.9000115.1
1379Q29.1Very low32.2Very low172 Ų172126.9 Ų126.980%0.80474%0.74SS**  trans93.3161170.5-49.5-179.414.700117.2
1380T32Very low32.4Very low121 Ų121129.7 Ų129.774%0.74274%0.743SS**  trans69.497.7163.6-39.90000115.7
1381V29.1Very low32.7Very low119 Ų119127.1 Ų127.172%0.72174%0.738SS**  cis69.799.647.8-169.50000114.1
1382C30.7Very low33.2Very low125 Ų125127.6 Ų127.685%0.84574%0.743SS**  trans56.9122153.8-56.10000121.1
1383A32.1Very low33.2Very low86 Ų86125 Ų12571%0.71175%0.747SS**  trans-173.1128.1141.700000107.6
1384I31Very low33.6Very low151 Ų151124.1 Ų124.177%0.77475%0.747SS**  60.584.672.2-58.6169.4000109.7
1385S29.2Very low34.1Very low98 Ų98125.2 Ų125.269%0.68575%0.753SS**  105.6173.279.5-73.20000109.9
1386N33.9Very low34.9Very low130 Ų130122.3 Ų122.370%0.69574%0.741SS**  trans75.2141.7167.5-59.651.9000115.3
1387D34.8Very low36.2Very low129 Ų129120.9 Ų120.969%0.6973%0.729SS**  cis-157.9177.3-9.1-104-22.3000111.2
1388D38Very low37.7Very low144 Ų144120 Ų12077%0.7772%0.724SS**  trans86.6104.9157.5-66.1-29000122.8
1389V37.4Very low39.5Very low120 Ų120118.9 Ų118.973%0.72772%0.718SS**  73.2123.8125.3175.60000119.1
1390E36.1Very low41.5Very low155 Ų155115.3 Ų115.372%0.72470%0.702SS**  cis-166.5168.2-8.6-127.8179.6-159.400112.8
1391N36.8Very low43.5Very low137 Ų137112.7 Ų112.773%0.73369%0.686SS**  trans76.8149162-75.8-53.8000120.7
1392P40.8Very low45.6Very low121 Ų121110.8 Ų110.879%0.78668%0.677SS**  trans-143178.1-139.341.6-21000117.5
1393G31.7Very low47.8Very low76 Ų76108.3 Ų108.378%0.78466%0.658SS**  trans104.983.6132.500000118.8
1394A38.6Very low49.9Very low95 Ų95108.6 Ų108.679%0.78565%0.648SS**  trans-133.6109.2149.300000108.3V1396A1394-V1396 PolarHBondContact O-N 3.38Å
1395V45.9Very low52.2Low147 Ų147106 Ų10689%0.89164%0.635SS**  trans-92.2102.6-176.8-179.20000109.3
1396V46Very low54.6Low84 Ų84108 Ų10851%0.50963%0.633SS.*  trans-66.9134.8174.71700000110.3A1394 E1400A1394-V1396 PolarHBondContact O-N 3.38Å; V1396-E1400 HydrophobicContact CG1-CB 3.73Å; V1396-E1400 HydrophobicContact CG1-CG 4.36Å; V1396-E1400 WeakPolarHBondContact CG1-OE2 3.33Å
1397P61.8Low56.5Low63 Ų63104.6 Ų104.641%0.40961%0.613SS.*  trans-71.2150.4-177.829.1-36.2000113.3S1399 E1400P1397-S1399 PolarHBondContact O-N 2.81Å; P1397-E1400 VanDerWaalsContact CD-OE1 3.3Å; P1397-E1400 WeakPolarHBondContact CD-OE1 3.47Å; P1397-E1400 HydrophobicContact CG-CG 4.35Å; P1397-E1400 WeakPolarHBondContact CG-OE1 3.32Å; P1397-E1400 PolarHBondContact O-N 3.21Å
1398L61.1Low58.6Low147 Ų147102.3 Ų102.377%0.7760%0.6SS**Hα-helixtrans-54.4-23.4179-92.7144.8000114.8V1401 S1402L1398-V1401 PolarHBondContact O-N 2.72Å; L1398-S1402 PolarHBondContact O-N 3.49Å
1399S72.9Confident60.6Low76 Ų76101.4 Ų101.453%0.53159%0.593SS.*Hα-helixtrans-62.7-41.1174.545.60000112.8P1397 V1401 S1402 T1403P1397-S1399 PolarHBondContact O-N 2.81Å; S1399-V1401 VanDerWaalsContact C-N 3.32Å; S1399-S1402 PolarHBondContact O-N 2.83Å; S1399-T1403 PolarHBondContact O-N 2.78Å; S1399-T1403 PolarHBondContact O-OG1 2.84Å
1400E72.2Confident62.6Low98 Ų98100.1 Ų100.146%0.45858%0.582SS.*Hα-helixtrans-71.1-32.4178.9-71.9169.6-127.600111.1V1396 P1397 T1403 L1404V1396-E1400 HydrophobicContact CG1-CB 3.73Å; V1396-E1400 HydrophobicContact CG1-CG 4.36Å; V1396-E1400 WeakPolarHBondContact CG1-OE2 3.33Å; P1397-E1400 VanDerWaalsContact CD-OE1 3.3Å; P1397-E1400 WeakPolarHBondContact CD-OE1 3.47Å; P1397-E1400 HydrophobicContact CG-CG 4.35Å; P1397-E1400 WeakPolarHBondContact CG-OE1 3.32Å; P1397-E1400 PolarHBondContact O-N 3.21Å; E1400-T1403 WeakPolarHBondContact CA-OG1 2.95Å; E1400-T1403 PolarHBondContact O-N 3.41Å; E1400-T1403 PolarHBondContact O-OG1 3.03Å; E1400-L1404 WeakPolarHBondContact O-CB 3.5Å; E1400-L1404 WeakPolarHBondContact O-CD1 3.33Å; E1400-L1404 VanDerWaalsContact O-CG 3.26Å; E1400-L1404 WeakPolarHBondContact O-CG 3.36Å; E1400-L1404 PolarHBondContact O-N 2.77Å
1401V72.7Confident64.5Low66 Ų6693 Ų9340%0.455%0.549SS..Hα-helixtrans-65.8-39.8171.8-175.10000111L1398 S1399 L1404 I1405L1398-V1401 PolarHBondContact O-N 2.72Å; S1399-V1401 VanDerWaalsContact C-N 3.32Å; V1401-L1404 PolarHBondContact O-N 3.35Å; V1401-I1405 HydrophobicContact CG1-CD1 3.95Å; V1401-I1405 WeakPolarHBondContact O-CD1 3.16Å; V1401-I1405 VanDerWaalsContact O-CG1 3.24Å; V1401-I1405 WeakPolarHBondContact O-CG1 3.29Å; V1401-I1405 PolarHBondContact O-N 2.8Å
1402S74.6Confident66.6Low78 Ų7891 Ų9155%0.54554%0.535SS..Hα-helixtrans-64.1-45.5173.3-86.20000112.6L1398 S1399 L1404 I1405 E1406L1398-S1402 PolarHBondContact O-N 3.49Å; S1399-S1402 PolarHBondContact O-N 2.83Å; S1402-L1404 VanDerWaalsContact C-N 3.32Å; S1402-L1404 PolarHBondContact O-N 3.42Å; S1402-I1405 PolarHBondContact O-N 3.47Å; S1402-I1405 VanDerWaalsContact O-N 3.15Å; S1402-E1406 WeakPolarHBondContact O-CB 3.1Å; S1402-E1406 PolarHBondContact O-N 2.73Å
1403T77.3Confident68.6Low73 Ų7389.3 Ų89.345%0.44852%0.523SS..Hα-helixtrans-63.6-38.717749.70000111.8S1399 E1400 I1405 E1406 Q1407S1399-T1403 PolarHBondContact O-N 2.78Å; S1399-T1403 PolarHBondContact O-OG1 2.84Å; E1400-T1403 WeakPolarHBondContact CA-OG1 2.95Å; E1400-T1403 PolarHBondContact O-N 3.41Å; E1400-T1403 PolarHBondContact O-OG1 3.03Å; T1403-I1405 VanDerWaalsContact C-N 3.31Å; T1403-I1405 PolarHBondContact O-N 3.08Å; T1403-E1406 PolarHBondContact O-N 3.27Å; T1403-Q1407 WeakPolarHBondContact O-CB 3.32Å; T1403-Q1407 VanDerWaalsContact O-CG 3.23Å; T1403-Q1407 WeakPolarHBondContact O-CG 3.48Å; T1403-Q1407 PolarHBondContact O-N 2.89Å
1404L75Confident71Confident93 Ų9389.1 Ų89.149%0.48750%0.503SS..Hα-helixtrans-66.3-28.3174.6-75.3165.7000113.3E1400 V1401 S1402 L1408E1400-L1404 WeakPolarHBondContact O-CB 3.5Å; E1400-L1404 WeakPolarHBondContact O-CD1 3.33Å; E1400-L1404 VanDerWaalsContact O-CG 3.26Å; E1400-L1404 WeakPolarHBondContact O-CG 3.36Å; E1400-L1404 PolarHBondContact O-N 2.77Å; V1401-L1404 PolarHBondContact O-N 3.35Å; S1402-L1404 VanDerWaalsContact C-N 3.32Å; S1402-L1404 PolarHBondContact O-N 3.42Å; L1404-L1408 WeakPolarHBondContact O-CB 3.25Å; L1404-L1408 PolarHBondContact O-N 3.03Å
1405I79.6Confident73.1Confident97 Ų9788.3 Ų88.350%0.49749%0.485SS..Hα-helixtrans-78.5-43175.6-73.1166.3000111.9V1401 S1402 T1403 Q1407 L1408 M1409V1401-I1405 HydrophobicContact CG1-CD1 3.95Å; V1401-I1405 WeakPolarHBondContact O-CD1 3.16Å; V1401-I1405 VanDerWaalsContact O-CG1 3.24Å; V1401-I1405 WeakPolarHBondContact O-CG1 3.29Å; V1401-I1405 PolarHBondContact O-N 2.8Å; S1402-I1405 PolarHBondContact O-N 3.47Å; S1402-I1405 VanDerWaalsContact O-N 3.15Å; T1403-I1405 VanDerWaalsContact C-N 3.31Å; T1403-I1405 PolarHBondContact O-N 3.08Å; I1405-Q1407 VanDerWaalsContact C-N 3.34Å; I1405-L1408 WeakPolarHBondContact O-CA 3.21Å; I1405-L1408 WeakPolarHBondContact O-CB 3.24Å; I1405-L1408 PolarHBondContact O-N 3.43Å; I1405-M1409 PolarHBondContact O-N 2.75Å
1406E79.5Confident75Confident140 Ų14086 Ų8665%0.65446%0.463SS*.Hα-helixtrans-64-44.8176.9-167.5161.9-115.100109.8S1402 T1403 L1408 M1409 D1410S1402-E1406 WeakPolarHBondContact O-CB 3.1Å; S1402-E1406 PolarHBondContact O-N 2.73Å; T1403-E1406 PolarHBondContact O-N 3.27Å; E1406-L1408 PolarHBondContact O-N 2.88Å; E1406-M1409 PolarHBondContact O-N 3.1Å; E1406-D1410 PolarHBondContact O-N 3.29Å
1407Q74.4Confident76.8Confident58 Ų5884.9 Ų84.927%0.27146%0.456SS..Hα-helixtrans-51.8-51.7161.3-79.9-176.5-42.300111.7L472 L473 T1403 I1405 M1409 D1410 S1411L472-Q1407 HydrophobicContact CB-CB 3.72Å; L472-Q1407 HydrophobicContact CB-CG 4.13Å; L472-Q1407 HydrophobicContact CD1-CB 3.7Å; L472-Q1407 WeakPolarHBondContact CD1-O 3.46Å; L472-Q1407 VanDerWaalsContact CD2-C 3.48Å; L472-Q1407 HydrophobicContact CD2-CB 3.7Å; L472-Q1407 HydrophobicContact CD2-CG 4.24Å; L472-Q1407 WeakPolarHBondContact CD2-O 3.16Å; L472-Q1407 HydrophobicContact CG-CB 3.79Å; L472-Q1407 WeakPolarHBondContact CG-O 3.46Å; L473-Q1407 PolarHBondContact O-NE2 3.08Å; T1403-Q1407 WeakPolarHBondContact O-CB 3.32Å; T1403-Q1407 VanDerWaalsContact O-CG 3.23Å; T1403-Q1407 WeakPolarHBondContact O-CG 3.48Å; T1403-Q1407 PolarHBondContact O-N 2.89Å; I1405-Q1407 VanDerWaalsContact C-N 3.34Å; Q1407-M1409 PolarHBondContact O-N 3.46Å; Q1407-D1410 WeakPolarHBondContact O-CA 3.33Å; Q1407-D1410 WeakPolarHBondContact O-CB 3.1Å; Q1407-D1410 PolarHBondContact O-N 3.34Å; Q1407-S1411 PolarHBondContact O-N 2.69Å; Q1407-S1411 VanDerWaalsContact O-N 3.07Å
1408L78Confident78Confident81 Ų8185.6 Ų85.642%0.42446%0.456SS..Hα-helixtrans-48.9-42.4-174.9-13681.4000112.4L472 L1404 I1405 E1406 S1411 E1412L472-L1408 HydrophobicContact CD1-CB 4.38Å; L472-L1408 HydrophobicContact CD1-CD1 4.06Å; L472-L1408 HydrophobicContact CD1-CG 4.49Å; L1404-L1408 WeakPolarHBondContact O-CB 3.25Å; L1404-L1408 PolarHBondContact O-N 3.03Å; I1405-L1408 WeakPolarHBondContact O-CA 3.21Å; I1405-L1408 WeakPolarHBondContact O-CB 3.24Å; I1405-L1408 PolarHBondContact O-N 3.43Å; E1406-L1408 PolarHBondContact O-N 2.88Å; L1408-S1411 PolarHBondContact O-N 3.46Å; L1408-S1411 PolarHBondContact O-OG 2.77Å; L1408-E1412 PolarHBondContact O-N 2.81Å
1409M80.4Confident79.2Confident125 Ų12584.7 Ų84.762%0.61644%0.443SS*.Hα-helixtrans-65.4-45.8176.2-63.9-179.355.600113I1405 E1406 Q1407 S1411 E1412 V1413I1405-M1409 PolarHBondContact O-N 2.75Å; E1406-M1409 PolarHBondContact O-N 3.1Å; Q1407-M1409 PolarHBondContact O-N 3.46Å; M1409-S1411 VanDerWaalsContact C-N 3.25Å; M1409-S1411 PolarHBondContact O-N 2.59Å; M1409-E1412 PolarHBondContact O-N 3.27Å; M1409-V1413 WeakPolarHBondContact O-CG2 3.26Å; M1409-V1413 PolarHBondContact O-N 2.92Å
1410D78.7Confident79.8Confident92 Ų9286.7 Ų86.749%0.49245%0.447SS..Hα-helixtrans-57.9-35.2174.8-77.2-11.3000112.5L472 E1406 Q1407 V1413 L1414L472-D1410 HydrophobicContact CD2-CB 4.2Å; E1406-D1410 PolarHBondContact O-N 3.29Å; Q1407-D1410 WeakPolarHBondContact O-CA 3.33Å; Q1407-D1410 WeakPolarHBondContact O-CB 3.1Å; Q1407-D1410 PolarHBondContact O-N 3.34Å; D1410-V1413 PolarHBondContact O-N 3.06Å; D1410-L1414 WeakPolarHBondContact O-CB 3.36Å; D1410-L1414 PolarHBondContact O-N 2.85Å
1411S76.3Confident80.4Confident7 Ų784.7 Ų84.75%0.04944%0.438CS..Hα-helixtrans-76.3-30.3173.771.10000113.2S471 L472 Q1407 L1408 M1409 V1413 L1414 I1415S471-S1411 WeakPolarHBondContact CB-OG 3.37Å; S471-S1411 PolarHBondContact OG-OG 3.26Å; L472-S1411 WeakPolarHBondContact CD1-OG 3.3Å; Q1407-S1411 PolarHBondContact O-N 2.69Å; Q1407-S1411 VanDerWaalsContact O-N 3.07Å; L1408-S1411 PolarHBondContact O-N 3.46Å; L1408-S1411 PolarHBondContact O-OG 2.77Å; M1409-S1411 VanDerWaalsContact C-N 3.25Å; M1409-S1411 PolarHBondContact O-N 2.59Å; S1411-V1413 VanDerWaalsContact C-N 3.27Å; S1411-L1414 PolarHBondContact O-N 2.8Å; S1411-I1415 WeakPolarHBondContact O-CB 3.23Å; S1411-I1415 WeakPolarHBondContact O-CD1 3.38Å; S1411-I1415 WeakPolarHBondContact O-CG1 3.46Å; S1411-I1415 PolarHBondContact O-N 2.89Å
1412E80.5Confident80.9Confident93 Ų9386.4 Ų86.444%0.43544%0.444SS..Hα-helixtrans-69.7-31.9173.6-151.3-167.8128.200110.4L1408 M1409 K1416L1408-E1412 PolarHBondContact O-N 2.81Å; M1409-E1412 PolarHBondContact O-N 3.27Å; E1412-K1416 WeakPolarHBondContact O-CB 3.44Å; E1412-K1416 VanDerWaalsContact O-CD 3.27Å; E1412-K1416 WeakPolarHBondContact O-CD 3.34Å; E1412-K1416 WeakPolarHBondContact O-CG 3.14Å; E1412-K1416 PolarHBondContact O-N 2.84Å; E1412-K1416 WeakPolarHBondContact OE1-CE 3.46Å; E1412-K1416 IonicContact OE1-NZ 3.31Å; E1412-K1416 PolarHBondContact OE1-NZ 2.75Å
1413V82.8Confident81.4Confident87 Ų8786.4 Ų86.453%0.52744%0.444SS..Hα-helixtrans-67.7-53.7168.3175.40000110.7M1409 D1410 S1411 I1415 K1416 T1417M1409-V1413 WeakPolarHBondContact O-CG2 3.26Å; M1409-V1413 PolarHBondContact O-N 2.92Å; D1410-V1413 PolarHBondContact O-N 3.06Å; S1411-V1413 VanDerWaalsContact C-N 3.27Å; V1413-I1415 VanDerWaalsContact C-N 3.33Å; V1413-I1415 PolarHBondContact O-N 2.87Å; V1413-K1416 CarbonylContact O-C 3.58Å; V1413-K1416 WeakPolarHBondContact O-CA 3.43Å; V1413-K1416 WeakPolarHBondContact O-CB 3.37Å; V1413-K1416 PolarHBondContact O-N 3.19Å; V1413-T1417 PolarHBondContact O-N 2.84Å; V1413-T1417 PolarHBondContact O-OG1 2.84Å
1414L83Confident81.7Confident71 Ų7184.5 Ų84.537%0.37244%0.438SS..Hα-helixtrans-62.1-38-179.7-17564.4000112.3L473 D1410 S1411 K1416 T1417 L1418L473-L1414 HydrophobicContact CD1-CB 4.2Å; L473-L1414 HydrophobicContact CD1-CD2 3.61Å; L473-L1414 HydrophobicContact CD2-CD2 4Å; L473-L1414 HydrophobicContact CG-CD2 4.4Å; D1410-L1414 WeakPolarHBondContact O-CB 3.36Å; D1410-L1414 PolarHBondContact O-N 2.85Å; S1411-L1414 PolarHBondContact O-N 2.8Å; L1414-K1416 VanDerWaalsContact C-N 3.34Å; L1414-T1417 PolarHBondContact O-N 3.14Å; L1414-L1418 HydrophobicContact CD1-CD1 4.46Å; L1414-L1418 HydrophobicContact CD1-CG 4.37Å; L1414-L1418 HydrophobicContact CD2-CD1 4.46Å; L1414-L1418 HydrophobicContact CG-CD1 3.99Å; L1414-L1418 HydrophobicContact CG-CG 4.34Å; L1414-L1418 WeakPolarHBondContact O-CB 3.48Å; L1414-L1418 VanDerWaalsContact O-CG 3.3Å; L1414-L1418 WeakPolarHBondContact O-CG 3.16Å; L1414-L1418 PolarHBondContact O-N 2.8Å
1415I83.1Confident82.1Confident78 Ų7885.1 Ų85.140%0.444%0.442SS..Hα-helixtrans-71-28.8175-67.4166000111.1S1411 V1413 R1419S1411-I1415 WeakPolarHBondContact O-CB 3.23Å; S1411-I1415 WeakPolarHBondContact O-CD1 3.38Å; S1411-I1415 WeakPolarHBondContact O-CG1 3.46Å; S1411-I1415 PolarHBondContact O-N 2.89Å; V1413-I1415 VanDerWaalsContact C-N 3.33Å; V1413-I1415 PolarHBondContact O-N 2.87Å; I1415-R1419 HydrophobicContact CG2-CG 4.36Å; I1415-R1419 WeakPolarHBondContact O-CB 3.37Å; I1415-R1419 WeakPolarHBondContact O-CD 3.48Å; I1415-R1419 WeakPolarHBondContact O-CG 3.37Å; I1415-R1419 PolarHBondContact O-N 3.44Å
1416K86.1Confident82.4Confident100 Ų10083.7 Ų83.744%0.43544%0.438SS..Hα-helixtrans-69.9-42.7168.1-77.6164.4-168.5162.20111.5E1412 V1413 L1414 R1419 N1420E1412-K1416 WeakPolarHBondContact O-CB 3.44Å; E1412-K1416 VanDerWaalsContact O-CD 3.27Å; E1412-K1416 WeakPolarHBondContact O-CD 3.34Å; E1412-K1416 WeakPolarHBondContact O-CG 3.14Å; E1412-K1416 PolarHBondContact O-N 2.84Å; E1412-K1416 WeakPolarHBondContact OE1-CE 3.46Å; E1412-K1416 IonicContact OE1-NZ 3.31Å; E1412-K1416 PolarHBondContact OE1-NZ 2.75Å; V1413-K1416 CarbonylContact O-C 3.58Å; V1413-K1416 WeakPolarHBondContact O-CA 3.43Å; V1413-K1416 WeakPolarHBondContact O-CB 3.37Å; V1413-K1416 PolarHBondContact O-N 3.19Å; L1414-K1416 VanDerWaalsContact C-N 3.34Å; K1416-R1419 PolarHBondContact O-N 2.95Å; K1416-N1420 WeakPolarHBondContact O-CB 3.49Å; K1416-N1420 PolarHBondContact O-N 3.23Å; K1416-N1420 PolarHBondContact O-OD1 3.2Å
1417T83.4Confident82.8Confident59 Ų5981 Ų8136%0.36242%0.424SS..Hα-helixtrans-59.9-53.1173.8-56.40000110.5V1413 L1414 R1419 N1420 E1421V1413-T1417 PolarHBondContact O-N 2.84Å; V1413-T1417 PolarHBondContact O-OG1 2.84Å; L1414-T1417 PolarHBondContact O-N 3.14Å; T1417-R1419 VanDerWaalsContact C-N 3.27Å; T1417-R1419 PolarHBondContact O-N 2.8Å; T1417-N1420 CarbonylContact O-C 3.57Å; T1417-N1420 WeakPolarHBondContact O-CB 3.29Å; T1417-N1420 PolarHBondContact O-N 3.37Å; T1417-E1421 HydrophobicContact CG2-CG 4.46Å; T1417-E1421 WeakPolarHBondContact O-CB 3.16Å; T1417-E1421 WeakPolarHBondContact O-CG 3.1Å; T1417-E1421 PolarHBondContact O-N 2.75Å
1418L86.2Confident83.3Confident78 Ų7880.4 Ų80.441%0.40842%0.419SS..Hα-helixtrans-62-30.5176.4-70.3170.6000112.8L1414 I1422L1414-L1418 HydrophobicContact CD1-CD1 4.46Å; L1414-L1418 HydrophobicContact CD1-CG 4.37Å; L1414-L1418 HydrophobicContact CD2-CD1 4.46Å; L1414-L1418 HydrophobicContact CG-CD1 3.99Å; L1414-L1418 HydrophobicContact CG-CG 4.34Å; L1414-L1418 WeakPolarHBondContact O-CB 3.48Å; L1414-L1418 VanDerWaalsContact O-CG 3.3Å; L1414-L1418 WeakPolarHBondContact O-CG 3.16Å; L1414-L1418 PolarHBondContact O-N 2.8Å; L1418-I1422 VanDerWaalsContact O-CB 3.25Å; L1418-I1422 WeakPolarHBondContact O-CB 3.15Å; L1418-I1422 WeakPolarHBondContact O-CD1 3.47Å; L1418-I1422 WeakPolarHBondContact O-CG1 2.94Å; L1418-I1422 PolarHBondContact O-N 3.17Å
1419R86.6Confident83.6Confident129 Ų12983 Ų8349%0.48743%0.429SS..Hα-helixtrans-74-35.9171.8-79.6169.2174.3-146.6-10.5112.9I1415 K1416 T1417 E1421 S1423I1415-R1419 HydrophobicContact CG2-CG 4.36Å; I1415-R1419 WeakPolarHBondContact O-CB 3.37Å; I1415-R1419 WeakPolarHBondContact O-CD 3.48Å; I1415-R1419 WeakPolarHBondContact O-CG 3.37Å; I1415-R1419 PolarHBondContact O-N 3.44Å; K1416-R1419 PolarHBondContact O-N 2.95Å; T1417-R1419 VanDerWaalsContact C-N 3.27Å; T1417-R1419 PolarHBondContact O-N 2.8Å; R1419-E1421 VanDerWaalsContact C-N 3.33Å; R1419-S1423 WeakPolarHBondContact O-CB 3.47Å; R1419-S1423 PolarHBondContact O-N 3.5Å
1420N85.9Confident83.9Confident117 Ų11782.3 Ų82.363%0.62643%0.427SS*.Hα-helixtrans-69.1-36.2173.3-68.1-4.4000110.4K1416 T1417 S1423 G1424K1416-N1420 WeakPolarHBondContact O-CB 3.49Å; K1416-N1420 PolarHBondContact O-N 3.23Å; K1416-N1420 PolarHBondContact O-OD1 3.2Å; T1417-N1420 CarbonylContact O-C 3.57Å; T1417-N1420 WeakPolarHBondContact O-CB 3.29Å; T1417-N1420 PolarHBondContact O-N 3.37Å; N1420-S1423 PolarHBondContact O-N 2.79Å; N1420-G1424 PolarHBondContact O-N 2.87Å
1421E83.6Confident84.1Confident56 Ų5680.3 Ų80.326%0.26242%0.415SS..Hα-helixtrans-72.1-44.2174.7-70.6179.4160.200111.8R482 T1417 R1419 S1423 G1424 L1425R482-E1421 IonicContact CZ-OE1 3.37Å; R482-E1421 IonicContact NH1-OE1 2.62Å; R482-E1421 PolarHBondContact NH1-OE1 2.68Å; R482-E1421 VanDerWaalsContact NH2-CD 3.32Å; R482-E1421 IonicContact NH2-OE1 3.21Å; R482-E1421 PolarHBondContact NH2-OE1 3.37Å; R482-E1421 IonicContact NH2-OE2 2.65Å; T1417-E1421 HydrophobicContact CG2-CG 4.46Å; T1417-E1421 WeakPolarHBondContact O-CB 3.16Å; T1417-E1421 WeakPolarHBondContact O-CG 3.1Å; T1417-E1421 PolarHBondContact O-N 2.75Å; R1419-E1421 VanDerWaalsContact C-N 3.33Å; E1421-S1423 VanDerWaalsContact C-N 3.29Å; E1421-S1423 PolarHBondContact O-N 2.8Å; E1421-G1424 CarbonylContact O-C 3.56Å; E1421-G1424 WeakPolarHBondContact O-CA 3.23Å; E1421-G1424 PolarHBondContact O-N 2.76Å; E1421-G1424 VanDerWaalsContact O-N 3.13Å; E1421-L1425 WeakPolarHBondContact O-CB 3.38Å; E1421-L1425 VanDerWaalsContact O-CG 3.29Å; E1421-L1425 WeakPolarHBondContact O-CG 3.22Å; E1421-L1425 PolarHBondContact O-N 3.16Å
1422I84.5Confident84.5Confident103 Ų10384.5 Ų84.553%0.52844%0.436SS..Hα-helixtrans-61.8-38.8170.6-71.4164.7000110.3L1418 G1424 L1425 T1426L1418-I1422 VanDerWaalsContact O-CB 3.25Å; L1418-I1422 WeakPolarHBondContact O-CB 3.15Å; L1418-I1422 WeakPolarHBondContact O-CD1 3.47Å; L1418-I1422 WeakPolarHBondContact O-CG1 2.94Å; L1418-I1422 PolarHBondContact O-N 3.17Å; I1422-G1424 VanDerWaalsContact C-N 3.33Å; I1422-L1425 CarbonylContact O-C 3.59Å; I1422-L1425 PolarHBondContact O-N 2.97Å; I1422-T1426 WeakPolarHBondContact O-CB 3.34Å; I1422-T1426 PolarHBondContact O-N 2.91Å; I1422-T1426 PolarHBondContact O-OG1 3.47Å
1423S84Confident84.8Confident78 Ų7884.7 Ų84.755%0.54544%0.437SS..Hα-helixtrans-67.9-32.6174-1700000112.6R1419 N1420 E1421 K1427R1419-S1423 WeakPolarHBondContact O-CB 3.47Å; R1419-S1423 PolarHBondContact O-N 3.5Å; N1420-S1423 PolarHBondContact O-N 2.79Å; E1421-S1423 VanDerWaalsContact C-N 3.29Å; E1421-S1423 PolarHBondContact O-N 2.8Å; S1423-K1427 WeakPolarHBondContact O-CB 3.17Å; S1423-K1427 PolarHBondContact O-N 2.78Å
1424G84.8Confident85Confident32 Ų3285.9 Ų85.933%0.3344%0.436SS..Hα-helixtrans-69.5-41.2172.500000111.9N1420 E1421 I1422 K1427 Y1428N1420-G1424 PolarHBondContact O-N 2.87Å; E1421-G1424 CarbonylContact O-C 3.56Å; E1421-G1424 WeakPolarHBondContact O-CA 3.23Å; E1421-G1424 PolarHBondContact O-N 2.76Å; E1421-G1424 VanDerWaalsContact O-N 3.13Å; I1422-G1424 VanDerWaalsContact C-N 3.33Å; G1424-K1427 PolarHBondContact O-N 3.29Å; G1424-Y1428 WeakPolarHBondContact O-CB 3.47Å; G1424-Y1428 PolarHBondContact O-N 3.09Å
1425L83.2Confident85.1Confident106 Ų10686.3 Ų86.356%0.55544%0.439SS*.Hα-helixtrans-71-32.5173.9-70.3167.8000112.4E1421 I1422 Y1428 Q1429E1421-L1425 WeakPolarHBondContact O-CB 3.38Å; E1421-L1425 VanDerWaalsContact O-CG 3.29Å; E1421-L1425 WeakPolarHBondContact O-CG 3.22Å; E1421-L1425 PolarHBondContact O-N 3.16Å; I1422-L1425 CarbonylContact O-C 3.59Å; I1422-L1425 PolarHBondContact O-N 2.97Å; L1425-Y1428 PolarHBondContact O-N 2.75Å; L1425-Q1429 VanDerWaalsContact O-CB 3.32Å; L1425-Q1429 WeakPolarHBondContact O-CB 3.47Å; L1425-Q1429 PolarHBondContact O-N 2.84Å
1426T85.5Confident85.3Confident67 Ų6789.6 Ų89.641%0.41145%0.447SS..Hα-helixtrans-71.9-39.4172.1-58.60000110.6I1422 Y1428 Q1429 I1430I1422-T1426 WeakPolarHBondContact O-CB 3.34Å; I1422-T1426 PolarHBondContact O-N 2.91Å; I1422-T1426 PolarHBondContact O-OG1 3.47Å; T1426-Y1428 VanDerWaalsContact C-N 3.35Å; T1426-Q1429 PolarHBondContact O-N 2.69Å; T1426-I1430 HydrophobicContact CG2-CD1 4.05Å; T1426-I1430 WeakPolarHBondContact O-CB 3.4Å; T1426-I1430 WeakPolarHBondContact O-CD1 3.47Å; T1426-I1430 VanDerWaalsContact O-CG1 3.26Å; T1426-I1430 WeakPolarHBondContact O-CG1 3.11Å; T1426-I1430 PolarHBondContact O-N 2.81Å
1427K87.7Confident85.3Confident84 Ų8488.6 Ų88.637%0.36545%0.447SS..Hα-helixtrans-59.8-47.8168.1-175.5-171.9174.9-59.80110W486 S1423 G1424 Q1429 I1430 E1431W486-K1427 HydrophobicContact CH2-CB 3.87Å; W486-K1427 HydrophobicContact CH2-CD 3.48Å; W486-K1427 VanDerWaalsContact CH2-CD 3.48Å; W486-K1427 HydrophobicContact CH2-CG 3.46Å; W486-K1427 VanDerWaalsContact CH2-CG 3.46Å; W486-K1427 HydrophobicContact CZ2-CD 4.19Å; W486-K1427 HydrophobicContact CZ2-CG 3.92Å; W486-K1427 HydrophobicContact CZ3-CD 3.77Å; W486-K1427 HydrophobicContact CZ3-CG 4.27Å; W486-K1427 VanDerWaalsContact CZ3-NZ 3.33Å; S1423-K1427 WeakPolarHBondContact O-CB 3.17Å; S1423-K1427 PolarHBondContact O-N 2.78Å; G1424-K1427 PolarHBondContact O-N 3.29Å; K1427-Q1429 VanDerWaalsContact C-N 3.34Å; K1427-Q1429 PolarHBondContact O-N 3.01Å; K1427-I1430 PolarHBondContact O-N 2.82Å; K1427-I1430 VanDerWaalsContact O-N 3.16Å; K1427-E1431 VanDerWaalsContact CE-OE1 3.24Å; K1427-E1431 WeakPolarHBondContact CE-OE1 3.15Å; K1427-E1431 WeakPolarHBondContact CG-OE1 3.18Å; K1427-E1431 IonicContact NZ-OE1 2.66Å; K1427-E1431 PolarHBondContact NZ-OE1 3.3Å; K1427-E1431 IonicContact NZ-OE2 3.69Å; K1427-E1431 PolarHBondContact NZ-OE2 3.48Å; K1427-E1431 PolarHBondContact O-N 3.44Å
1428Y84.3Confident85.4Confident45 Ų4588.3 Ų88.318%0.17645%0.445CS..Hα-helixtrans-57.4-45.3177-167.9-105.2000111.6Y484 W486 G1424 L1425 T1426 I1430 E1431 L1432Y484-Y1428 HydrophobicContact CD1-CE1 4.42Å; Y484-Y1428 AromaticContact CD1-CE2 3.8Å; Y484-Y1428 HydrophobicContact CD1-CE2 3.8Å; Y484-Y1428 AromaticContact CD1-CZ 3.62Å; Y484-Y1428 WeakPolarHBondContact CD1-OH 3.1Å; Y484-Y1428 HydrophobicContact CE1-CE1 4.04Å; Y484-Y1428 HydrophobicContact CE1-CE2 4.23Å; Y484-Y1428 AromaticContact CE1-CZ 3.56Å; Y484-Y1428 WeakPolarHBondContact CE1-OH 3.46Å; Y484-Y1428 HydrophobicContact CG-CE2 4.18Å; W486-Y1428 HydrophobicContact CH2-CD2 4.32Å; W486-Y1428 AromaticContact CZ2-CD2 3.95Å; W486-Y1428 HydrophobicContact CZ2-CD2 3.95Å; G1424-Y1428 WeakPolarHBondContact O-CB 3.47Å; G1424-Y1428 PolarHBondContact O-N 3.09Å; L1425-Y1428 PolarHBondContact O-N 2.75Å; T1426-Y1428 VanDerWaalsContact C-N 3.35Å; Y1428-I1430 PolarHBondContact O-N 3.04Å; Y1428-E1431 PolarHBondContact O-N 3.38Å; Y1428-L1432 HydrophobicContact CE1-CD1 4.28Å; Y1428-L1432 HydrophobicContact CE1-CD2 4.36Å; Y1428-L1432 WeakPolarHBondContact O-CB 3.19Å; Y1428-L1432 PolarHBondContact O-N 3.38Å
1429Q85Confident85.3Confident136 Ų13688.3 Ų88.364%0.63645%0.449SS*.Hα-helixtrans-66.9-34.4177-170.6174.3800113.3L1425 T1426 K1427 Q1433L1425-Q1429 VanDerWaalsContact O-CB 3.32Å; L1425-Q1429 WeakPolarHBondContact O-CB 3.47Å; L1425-Q1429 PolarHBondContact O-N 2.84Å; T1426-Q1429 PolarHBondContact O-N 2.69Å; K1427-Q1429 VanDerWaalsContact C-N 3.34Å; K1427-Q1429 PolarHBondContact O-N 3.01Å; Q1429-Q1433 VanDerWaalsContact O-CB 3.23Å; Q1429-Q1433 WeakPolarHBondContact O-CB 3.27Å; Q1429-Q1433 PolarHBondContact O-N 2.68Å
1430I86.1Confident85.4Confident110 Ų11086.9 Ų86.956%0.56445%0.447SS*.Hα-helixtrans-70.7-40.9175.2-70.6164.9000111.4T1426 K1427 Y1428 Q1433 H1434T1426-I1430 HydrophobicContact CG2-CD1 4.05Å; T1426-I1430 WeakPolarHBondContact O-CB 3.4Å; T1426-I1430 WeakPolarHBondContact O-CD1 3.47Å; T1426-I1430 VanDerWaalsContact O-CG1 3.26Å; T1426-I1430 WeakPolarHBondContact O-CG1 3.11Å; T1426-I1430 PolarHBondContact O-N 2.81Å; K1427-I1430 PolarHBondContact O-N 2.82Å; K1427-I1430 VanDerWaalsContact O-N 3.16Å; Y1428-I1430 PolarHBondContact O-N 3.04Å; I1430-Q1433 PolarHBondContact O-N 2.75Å; I1430-H1434 WeakPolarHBondContact O-CB 3.48Å; I1430-H1434 PolarHBondContact O-N 2.64Å
1431E83.5Confident85.4Confident50 Ų5088.4 Ų88.423%0.23445%0.45CS..Hα-helixtrans-77.7-30.4177.3-95.6149-82.700112.6W486 K1427 Y1428 Q1433 H1434 D1435W486-E1431 HydrophobicContact CZ2-CB 4Å; K1427-E1431 VanDerWaalsContact CE-OE1 3.24Å; K1427-E1431 WeakPolarHBondContact CE-OE1 3.15Å; K1427-E1431 WeakPolarHBondContact CG-OE1 3.18Å; K1427-E1431 IonicContact NZ-OE1 2.66Å; K1427-E1431 PolarHBondContact NZ-OE1 3.3Å; K1427-E1431 IonicContact NZ-OE2 3.69Å; K1427-E1431 PolarHBondContact NZ-OE2 3.48Å; K1427-E1431 PolarHBondContact O-N 3.44Å; Y1428-E1431 PolarHBondContact O-N 3.38Å; E1431-Q1433 VanDerWaalsContact C-N 3.35Å; E1431-H1434 WeakPolarHBondContact O-CB 3.28Å; E1431-H1434 PolarHBondContact O-N 3.43Å; E1431-D1435 WeakPolarHBondContact O-CB 3.19Å; E1431-D1435 VanDerWaalsContact O-CG 3.28Å; E1431-D1435 PolarHBondContact O-N 2.67Å
1432L85.6Confident85.3Confident95 Ų9591 Ų9150%0.49746%0.464SS..Hα-helixtrans-68.9-33.9168.2-163.380.5000111.2Y1428 Y1436Y1428-L1432 HydrophobicContact CE1-CD1 4.28Å; Y1428-L1432 HydrophobicContact CE1-CD2 4.36Å; Y1428-L1432 WeakPolarHBondContact O-CB 3.19Å; Y1428-L1432 PolarHBondContact O-N 3.38Å; L1432-Y1436 VanDerWaalsContact O-CB 3.25Å; L1432-Y1436 WeakPolarHBondContact O-CB 3.22Å; L1432-Y1436 PolarHBondContact O-N 2.92Å
1433Q85.3Confident85.3Confident98 Ų9890.7 Ų90.746%0.45846%0.463SS..Hα-helixtrans-67.4-42.8169-17568.66200110.8Q1429 I1430 E1431 D1435 Y1436 D1437Q1429-Q1433 VanDerWaalsContact O-CB 3.23Å; Q1429-Q1433 WeakPolarHBondContact O-CB 3.27Å; Q1429-Q1433 PolarHBondContact O-N 2.68Å; I1430-Q1433 PolarHBondContact O-N 2.75Å; E1431-Q1433 VanDerWaalsContact C-N 3.35Å; Q1433-D1435 VanDerWaalsContact C-N 3.31Å; Q1433-D1435 PolarHBondContact O-N 2.64Å; Q1433-Y1436 PolarHBondContact O-N 3.47Å; Q1433-D1437 PolarHBondContact NE2-OD1 2.74Å; Q1433-D1437 WeakPolarHBondContact O-CB 3.4Å; Q1433-D1437 PolarHBondContact O-N 3.48Å
1434H87.1Confident85.5Confident111 Ų11190.2 Ų90.251%0.51446%0.457SS..Hα-helixtrans-60.5-40.7174.1174.6-77.9000111.9I1430 E1431 D1437 T1438I1430-H1434 WeakPolarHBondContact O-CB 3.48Å; I1430-H1434 PolarHBondContact O-N 2.64Å; E1431-H1434 WeakPolarHBondContact O-CB 3.28Å; E1431-H1434 PolarHBondContact O-N 3.43Å; H1434-D1437 PolarHBondContact O-N 2.87Å; H1434-T1438 VanDerWaalsContact O-CB 3.32Å; H1434-T1438 WeakPolarHBondContact O-CB 3.33Å; H1434-T1438 PolarHBondContact O-N 3.17Å; H1434-T1438 PolarHBondContact O-OG1 2.71Å
1435D85.6Confident85.4Confident80 Ų8093 Ų9343%0.42846%0.461SS..Hα-helixtrans-75.5-32.2178.9-70.2-5000111.3E1431 Q1433 T1438 V1439E1431-D1435 WeakPolarHBondContact O-CB 3.19Å; E1431-D1435 VanDerWaalsContact O-CG 3.28Å; E1431-D1435 PolarHBondContact O-N 2.67Å; Q1433-D1435 VanDerWaalsContact C-N 3.31Å; Q1433-D1435 PolarHBondContact O-N 2.64Å; D1435-T1438 PolarHBondContact O-N 3.33Å; D1435-V1439 WeakPolarHBondContact O-CB 2.89Å; D1435-V1439 VanDerWaalsContact O-CG2 3.27Å; D1435-V1439 WeakPolarHBondContact O-CG2 3.27Å; D1435-V1439 PolarHBondContact O-N 3.49Å
1436Y86.8Confident85.4Confident147 Ų14796.9 Ų96.958%0.57647%0.468SS*.Hα-helixtrans-63.4-45.4166.5178.5-86.4000111.7L1432 Q1433 T1438 V1439 H1440L1432-Y1436 VanDerWaalsContact O-CB 3.25Å; L1432-Y1436 WeakPolarHBondContact O-CB 3.22Å; L1432-Y1436 PolarHBondContact O-N 2.92Å; Q1433-Y1436 PolarHBondContact O-N 3.47Å; Y1436-T1438 VanDerWaalsContact C-N 3.3Å; Y1436-T1438 PolarHBondContact O-N 2.88Å; Y1436-V1439 CarbonylContact O-C 3.43Å; Y1436-V1439 PolarHBondContact O-N 3.23Å; Y1436-H1440 VanDerWaalsContact O-CB 3.31Å; Y1436-H1440 WeakPolarHBondContact O-CB 3.25Å; Y1436-H1440 PolarHBondContact O-N 2.93Å
1437D86Confident85.3Confident79 Ų7999 Ų9942%0.42247%0.474SS..Hα-helixtrans-64.8-36.7177.2-65.3-11.8000110.5Q1433 H1434 H1440 E1441Q1433-D1437 PolarHBondContact NE2-OD1 2.74Å; Q1433-D1437 WeakPolarHBondContact O-CB 3.4Å; Q1433-D1437 PolarHBondContact O-N 3.48Å; H1434-D1437 PolarHBondContact O-N 2.87Å; D1437-H1440 PolarHBondContact O-N 2.94Å; D1437-E1441 PolarHBondContact O-N 2.84Å
1438T85.3Confident85.3Confident53 Ų5399.4 Ų99.433%0.32548%0.479SS..Hα-helixtrans-67.4-44.3173.5-58.30000111.3H1434 D1435 Y1436 H1440 E1441 M1442H1434-T1438 VanDerWaalsContact O-CB 3.32Å; H1434-T1438 WeakPolarHBondContact O-CB 3.33Å; H1434-T1438 PolarHBondContact O-N 3.17Å; H1434-T1438 PolarHBondContact O-OG1 2.71Å; D1435-T1438 PolarHBondContact O-N 3.33Å; Y1436-T1438 VanDerWaalsContact C-N 3.3Å; Y1436-T1438 PolarHBondContact O-N 2.88Å; T1438-H1440 VanDerWaalsContact C-N 3.27Å; T1438-H1440 PolarHBondContact O-N 2.94Å; T1438-E1441 PolarHBondContact O-N 2.78Å; T1438-M1442 HydrophobicContact CG2-SD 4.39Å; T1438-M1442 WeakPolarHBondContact O-CB 3.21Å; T1438-M1442 VanDerWaalsContact O-CG 3.3Å; T1438-M1442 WeakPolarHBondContact O-CG 3.35Å; T1438-M1442 PolarHBondContact O-N 3.49Å
1439V85.4Confident85.3Confident79 Ų7999.6 Ų99.648%0.47948%0.484SS..Hα-helixtrans-63.9-35.2173.1166.90000110.6D1435 Y1436 M1442 L1443D1435-V1439 WeakPolarHBondContact O-CB 2.89Å; D1435-V1439 VanDerWaalsContact O-CG2 3.27Å; D1435-V1439 WeakPolarHBondContact O-CG2 3.27Å; D1435-V1439 PolarHBondContact O-N 3.49Å; Y1436-V1439 CarbonylContact O-C 3.43Å; Y1436-V1439 PolarHBondContact O-N 3.23Å; V1439-M1442 CarbonylContact O-C 3.59Å; V1439-M1442 PolarHBondContact O-N 2.74Å; V1439-L1443 HydrophobicContact CG1-CD1 3.91Å; V1439-L1443 HydrophobicContact CG1-CG 4.3Å; V1439-L1443 WeakPolarHBondContact O-CB 3.49Å; V1439-L1443 VanDerWaalsContact O-CG 3.24Å; V1439-L1443 WeakPolarHBondContact O-CG 3.42Å; V1439-L1443 PolarHBondContact O-N 3.34Å
1440H89.1Confident85.1Confident99 Ų9997.8 Ų97.846%0.45848%0.478SS..Hα-helixtrans-68.5-43.3175-169.869.2000111.8Y1436 D1437 T1438 M1442 L1443 V1444Y1436-H1440 VanDerWaalsContact O-CB 3.31Å; Y1436-H1440 WeakPolarHBondContact O-CB 3.25Å; Y1436-H1440 PolarHBondContact O-N 2.93Å; D1437-H1440 PolarHBondContact O-N 2.94Å; T1438-H1440 VanDerWaalsContact C-N 3.27Å; T1438-H1440 PolarHBondContact O-N 2.94Å; H1440-M1442 VanDerWaalsContact C-N 3.34Å; H1440-M1442 PolarHBondContact O-N 3.48Å; H1440-L1443 PolarHBondContact O-N 2.86Å; H1440-V1444 WeakPolarHBondContact O-CB 3.36Å; H1440-V1444 VanDerWaalsContact O-CG2 3.32Å; H1440-V1444 WeakPolarHBondContact O-CG2 3.22Å; H1440-V1444 PolarHBondContact O-N 3.41Å
1441E85.6Confident85Confident148 Ų14895.9 Ų95.969%0.69247%0.472SS*.Hα-helixtrans-60.4-42.4169.9-76.3-161.1150.900111.5D1437 T1438 L1443 V1444 E1445D1437-E1441 PolarHBondContact O-N 2.84Å; T1438-E1441 PolarHBondContact O-N 2.78Å; E1441-L1443 VanDerWaalsContact C-N 3.35Å; E1441-L1443 PolarHBondContact O-N 3.03Å; E1441-V1444 PolarHBondContact O-N 2.99Å; E1441-E1445 WeakPolarHBondContact O-CB 3.49Å; E1441-E1445 PolarHBondContact O-N 3.27Å
1442M81.3Confident85.1Confident110 Ų11095.9 Ų95.954%0.54247%0.469SS..Hα-helixtrans-66.9-31.2175.9-72.6-179.462.700113.4T1438 V1439 H1440 R1446T1438-M1442 HydrophobicContact CG2-SD 4.39Å; T1438-M1442 WeakPolarHBondContact O-CB 3.21Å; T1438-M1442 VanDerWaalsContact O-CG 3.3Å; T1438-M1442 WeakPolarHBondContact O-CG 3.35Å; T1438-M1442 PolarHBondContact O-N 3.49Å; V1439-M1442 CarbonylContact O-C 3.59Å; V1439-M1442 PolarHBondContact O-N 2.74Å; H1440-M1442 VanDerWaalsContact C-N 3.34Å; H1440-M1442 PolarHBondContact O-N 3.48Å; M1442-R1446 WeakPolarHBondContact O-CB 3.4Å; M1442-R1446 PolarHBondContact O-N 3.01Å
1443L84.7Confident84.9Confident97 Ų9794.7 Ų94.751%0.50847%0.466SS..Hα-helixtrans-74.8-38.7173.3-77170.2000111.4V1439 H1440 E1441 R1446 Q1447V1439-L1443 HydrophobicContact CG1-CD1 3.91Å; V1439-L1443 HydrophobicContact CG1-CG 4.3Å; V1439-L1443 WeakPolarHBondContact O-CB 3.49Å; V1439-L1443 VanDerWaalsContact O-CG 3.24Å; V1439-L1443 WeakPolarHBondContact O-CG 3.42Å; V1439-L1443 PolarHBondContact O-N 3.34Å; H1440-L1443 PolarHBondContact O-N 2.86Å; E1441-L1443 VanDerWaalsContact C-N 3.35Å; E1441-L1443 PolarHBondContact O-N 3.03Å; L1443-R1446 CarbonylContact O-C 3.59Å; L1443-R1446 PolarHBondContact O-N 3.5Å; L1443-Q1447 WeakPolarHBondContact O-CB 3.42Å; L1443-Q1447 PolarHBondContact O-N 3.39Å
1444V86.7Confident84.8Confident69 Ų6993.9 Ų93.942%0.41847%0.467SS..Hα-helixtrans-66.7-39.3172.2170.20000110.7H1440 E1441 Q1447 N1448H1440-V1444 WeakPolarHBondContact O-CB 3.36Å; H1440-V1444 VanDerWaalsContact O-CG2 3.32Å; H1440-V1444 WeakPolarHBondContact O-CG2 3.22Å; H1440-V1444 PolarHBondContact O-N 3.41Å; E1441-V1444 PolarHBondContact O-N 2.99Å; V1444-Q1447 PolarHBondContact O-N 3.22Å; V1444-N1448 PolarHBondContact O-N 3.47Å; V1444-N1448 PolarHBondContact O-ND2 2.91Å
1445E84Confident84.8Confident90 Ų9094.7 Ų94.742%0.42147%0.471SS..Hα-helixtrans-62.6-48.1171.3-171.5175.9179.400110.4E1441 Q1447 N1448 D1449 M2251E1441-E1445 WeakPolarHBondContact O-CB 3.49Å; E1441-E1445 PolarHBondContact O-N 3.27Å; E1445-Q1447 VanDerWaalsContact C-N 3.32Å; E1445-Q1447 PolarHBondContact O-N 2.94Å; E1445-N1448 PolarHBondContact O-N 2.9Å; E1445-D1449 WeakPolarHBondContact O-CB 3.39Å; E1445-D1449 PolarHBondContact O-N 3.48Å; E1445-M2251 HydrophobicContact CG-CE 3.86Å; E1445-M2251 WeakPolarHBondContact OE1-CE 3.4Å
1446R82.7Confident84.6Confident187 Ų18795.2 Ų95.271%0.70647%0.472SS*.Hα-helixtrans-59-37173.5-91.2-177.1161.7165.5-5.6113.5M1442 L1443 D1449 L1450M1442-R1446 WeakPolarHBondContact O-CB 3.4Å; M1442-R1446 PolarHBondContact O-N 3.01Å; L1443-R1446 CarbonylContact O-C 3.59Å; L1443-R1446 PolarHBondContact O-N 3.5Å; R1446-D1449 PolarHBondContact O-N 3.2Å; R1446-L1450 VanDerWaalsContact O-CB 3.26Å; R1446-L1450 WeakPolarHBondContact O-CB 3.17Å; R1446-L1450 PolarHBondContact O-N 2.83Å
1447Q84.4Confident84.4Confident113 Ų11393.3 Ų93.353%0.52847%0.471SS..Hα-helixtrans-71.4-37.7177.8-173.363.25.600111.7L1443 V1444 E1445 T1451L1443-Q1447 WeakPolarHBondContact O-CB 3.42Å; L1443-Q1447 PolarHBondContact O-N 3.39Å; V1444-Q1447 PolarHBondContact O-N 3.22Å; E1445-Q1447 VanDerWaalsContact C-N 3.32Å; E1445-Q1447 PolarHBondContact O-N 2.94Å; Q1447-T1451 WeakPolarHBondContact O-CB 3.28Å; Q1447-T1451 PolarHBondContact O-N 2.79Å; Q1447-T1451 PolarHBondContact O-OG1 2.91Å
1448N87Confident84.2Confident91 Ų9194.5 Ų94.549%0.48748%0.477SS..Hα-helixtrans-66.2-38.2171-80-76.9000111.7V1444 E1445 R1452V1444-N1448 PolarHBondContact O-N 3.47Å; V1444-N1448 PolarHBondContact O-ND2 2.91Å; E1445-N1448 PolarHBondContact O-N 2.9Å; N1448-R1452 VanDerWaalsContact O-CB 3.31Å; N1448-R1452 WeakPolarHBondContact O-CB 3.45Å; N1448-R1452 PolarHBondContact O-N 3.33Å
1449D84.3Confident84.1Confident50 Ų5097 Ų9727%0.26749%0.485SS..Hα-helixtrans-67.1-43.3174.8-9237.3000112E1445 R1446 R1452 V1453 F2255E1445-D1449 WeakPolarHBondContact O-CB 3.39Å; E1445-D1449 PolarHBondContact O-N 3.48Å; R1446-D1449 PolarHBondContact O-N 3.2Å; D1449-R1452 CarbonylContact O-C 3.31Å; D1449-R1452 PolarHBondContact O-N 3.4Å; D1449-R1452 IonicContact OD1-CZ 3.75Å; D1449-R1452 IonicContact OD1-NH1 3.68Å; D1449-R1452 PolarHBondContact OD1-NH1 3.09Å; D1449-R1452 IonicContact OD1-NH2 3.62Å; D1449-R1452 PolarHBondContact OD1-NH2 2.92Å; D1449-R1452 IonicContact OD2-CZ 3.72Å; D1449-R1452 IonicContact OD2-NH1 2.7Å; D1449-R1452 IonicContact OD2-NH2 3.81Å; D1449-R1452 PolarHBondContact OD2-NH2 2.99Å; D1449-V1453 WeakPolarHBondContact O-CB 3.44Å; D1449-V1453 VanDerWaalsContact O-CG2 3.3Å; D1449-V1453 WeakPolarHBondContact O-CG2 3.27Å; D1449-V1453 PolarHBondContact O-N 3.31Å; D1449-F2255 VanDerWaalsContact OD1-CZ 3.22Å; D1449-F2255 WeakPolarHBondContact OD1-CZ 3.1Å
1450L80.9Confident83.8Confident98 Ų9896.4 Ų96.451%0.51348%0.481SS..Hα-helixtrans-63.4-42.9174.3-177.663.3000111.2R1446 R1452 V1453 T1454R1446-L1450 VanDerWaalsContact O-CB 3.26Å; R1446-L1450 WeakPolarHBondContact O-CB 3.17Å; R1446-L1450 PolarHBondContact O-N 2.83Å; L1450-R1452 VanDerWaalsContact C-N 3.34Å; L1450-R1452 PolarHBondContact O-N 3.23Å; L1450-V1453 PolarHBondContact O-N 3.02Å; L1450-T1454 WeakPolarHBondContact O-CB 3.4Å; L1450-T1454 PolarHBondContact O-N 3.46Å; L1450-T1454 PolarHBondContact O-OG1 2.84Å
1451T84.3Confident83.5Confident70 Ų7095.7 Ų95.743%0.42948%0.478SS..Hα-helixtrans-60.4-44.8173.8-56.10000110.7Q1447 V1453 T1454 E1455Q1447-T1451 WeakPolarHBondContact O-CB 3.28Å; Q1447-T1451 PolarHBondContact O-N 2.79Å; Q1447-T1451 PolarHBondContact O-OG1 2.91Å; T1451-V1453 PolarHBondContact O-N 2.95Å; T1451-T1454 WeakPolarHBondContact O-CB 3.48Å; T1451-T1454 PolarHBondContact O-N 2.96Å; T1451-E1455 PolarHBondContact O-N 3.39Å
1452R84.2Confident83.4Confident50 Ų5092.9 Ų92.919%0.18947%0.468CS..Hα-helixtrans-66.8-35176.7-173.9179.768.6-1153.1112.9N1448 D1449 L1450 Q1456 F2255N1448-R1452 VanDerWaalsContact O-CB 3.31Å; N1448-R1452 WeakPolarHBondContact O-CB 3.45Å; N1448-R1452 PolarHBondContact O-N 3.33Å; D1449-R1452 CarbonylContact O-C 3.31Å; D1449-R1452 PolarHBondContact O-N 3.4Å; D1449-R1452 IonicContact OD1-CZ 3.75Å; D1449-R1452 IonicContact OD1-NH1 3.68Å; D1449-R1452 PolarHBondContact OD1-NH1 3.09Å; D1449-R1452 IonicContact OD1-NH2 3.62Å; D1449-R1452 PolarHBondContact OD1-NH2 2.92Å; D1449-R1452 IonicContact OD2-CZ 3.72Å; D1449-R1452 IonicContact OD2-NH1 2.7Å; D1449-R1452 IonicContact OD2-NH2 3.81Å; D1449-R1452 PolarHBondContact OD2-NH2 2.99Å; L1450-R1452 VanDerWaalsContact C-N 3.34Å; L1450-R1452 PolarHBondContact O-N 3.23Å; R1452-Q1456 WeakPolarHBondContact O-CB 3.31Å; R1452-Q1456 VanDerWaalsContact O-CG 3.32Å; R1452-Q1456 WeakPolarHBondContact O-CG 3.49Å; R1452-Q1456 PolarHBondContact O-N 2.87Å; R1452-F2255 VanDerWaalsContact NH1-CZ 3.27Å
1453V82.8Confident83.5Confident70 Ų7092.3 Ų92.342%0.42446%0.462SS..Hα-helixtrans-69.5-36.2173166.70000110.5D1449 L1450 T1451 Q1456 L1457D1449-V1453 WeakPolarHBondContact O-CB 3.44Å; D1449-V1453 VanDerWaalsContact O-CG2 3.3Å; D1449-V1453 WeakPolarHBondContact O-CG2 3.27Å; D1449-V1453 PolarHBondContact O-N 3.31Å; L1450-V1453 PolarHBondContact O-N 3.02Å; T1451-V1453 PolarHBondContact O-N 2.95Å; V1453-Q1456 PolarHBondContact O-N 3.3Å; V1453-L1457 HydrophobicContact CG1-CD1 4.24Å; V1453-L1457 WeakPolarHBondContact O-CB 3.4Å; V1453-L1457 PolarHBondContact O-N 3.37Å
1454T83.6Confident83Confident80 Ų8091.5 Ų91.549%0.49146%0.464SS..Hα-helixtrans-68.4-42.9175.4-56.60000111.5L1450 T1451 Q1456 L1457 L1458L1450-T1454 WeakPolarHBondContact O-CB 3.4Å; L1450-T1454 PolarHBondContact O-N 3.46Å; L1450-T1454 PolarHBondContact O-OG1 2.84Å; T1451-T1454 WeakPolarHBondContact O-CB 3.48Å; T1451-T1454 PolarHBondContact O-N 2.96Å; T1454-Q1456 VanDerWaalsContact C-N 3.33Å; T1454-Q1456 PolarHBondContact O-N 2.75Å; T1454-L1457 PolarHBondContact O-N 3.36Å; T1454-L1458 WeakPolarHBondContact O-CB 3.42Å; T1454-L1458 PolarHBondContact O-N 3.05Å
1455E86.3Confident82.8Confident128 Ų12893.4 Ų93.460%0.59847%0.466SS*.Hα-helixtrans-59.4-42.5170.3-75.4-174.2165.200111.8T1451 L1458 E1459T1451-E1455 PolarHBondContact O-N 3.39Å; E1455-L1458 PolarHBondContact O-N 2.94Å; E1455-E1459 PolarHBondContact O-N 2.68Å
1456Q81.9Confident82.7Confident92 Ų9292.3 Ų92.343%0.4347%0.468SS..Hα-helixtrans-68-39.5176.2-76.1178.444.300112.4R1452 V1453 T1454 L1458 E1459 T1460R1452-Q1456 WeakPolarHBondContact O-CB 3.31Å; R1452-Q1456 VanDerWaalsContact O-CG 3.32Å; R1452-Q1456 WeakPolarHBondContact O-CG 3.49Å; R1452-Q1456 PolarHBondContact O-N 2.87Å; V1453-Q1456 PolarHBondContact O-N 3.3Å; T1454-Q1456 VanDerWaalsContact C-N 3.33Å; T1454-Q1456 PolarHBondContact O-N 2.75Å; Q1456-L1458 VanDerWaalsContact C-N 3.35Å; Q1456-E1459 PolarHBondContact O-N 2.82Å; Q1456-T1460 WeakPolarHBondContact O-CG2 3.48Å; Q1456-T1460 PolarHBondContact O-N 3Å; Q1456-T1460 PolarHBondContact O-OG1 2.93Å
1457L81.3Confident82.3Confident106 Ų10687.8 Ų87.856%0.55546%0.458SS*.Hα-helixtrans-58.5-48172.6-93.8166.2000110V1453 T1454 E1459 T1460 E1461V1453-L1457 HydrophobicContact CG1-CD1 4.24Å; V1453-L1457 WeakPolarHBondContact O-CB 3.4Å; V1453-L1457 PolarHBondContact O-N 3.37Å; T1454-L1457 PolarHBondContact O-N 3.36Å; L1457-E1459 VanDerWaalsContact C-N 3.35Å; L1457-E1459 PolarHBondContact O-N 3.46Å; L1457-T1460 WeakPolarHBondContact CA-OG1 3.15Å; L1457-T1460 CarbonylContact O-C 3.58Å; L1457-T1460 PolarHBondContact O-N 2.84Å; L1457-T1460 VanDerWaalsContact O-N 3.13Å; L1457-T1460 PolarHBondContact O-OG1 2.91Å; L1457-E1461 WeakPolarHBondContact O-CB 3.3Å; L1457-E1461 PolarHBondContact O-N 2.91Å
1458L82.9Confident81.9Confident105 Ų10585.9 Ų85.955%0.5546%0.457SS..Hα-helixtrans-63.7-37.3176.9-155.974.7000112.3T1454 E1455 Q1456 E1461 N1462T1454-L1458 WeakPolarHBondContact O-CB 3.42Å; T1454-L1458 PolarHBondContact O-N 3.05Å; E1455-L1458 PolarHBondContact O-N 2.94Å; Q1456-L1458 VanDerWaalsContact C-N 3.35Å; L1458-E1461 PolarHBondContact O-N 3Å; L1458-N1462 WeakPolarHBondContact O-CB 3.5Å; L1458-N1462 PolarHBondContact O-N 2.87Å; L1458-N1462 PolarHBondContact O-ND2 3.19Å
1459E83Confident81.6Confident105 Ų10587.7 Ų87.749%0.49146%0.461SS..Hα-helixtrans-66.7-38.1172.8-151.9-154161.900111.6E1455 Q1456 L1457 K1463E1455-E1459 PolarHBondContact O-N 2.68Å; Q1456-E1459 PolarHBondContact O-N 2.82Å; L1457-E1459 VanDerWaalsContact C-N 3.35Å; L1457-E1459 PolarHBondContact O-N 3.46Å; E1459-K1463 WeakPolarHBondContact O-CD 3.29Å; E1459-K1463 VanDerWaalsContact O-CG 3.25Å; E1459-K1463 WeakPolarHBondContact O-CG 3.26Å; E1459-K1463 PolarHBondContact O-N 3.16Å; E1459-K1463 VanDerWaalsContact O-N 3.09Å; E1459-K1463 WeakPolarHBondContact OE1-CE 3.37Å; E1459-K1463 IonicContact OE1-NZ 2.74Å; E1459-K1463 PolarHBondContact OE1-NZ 2.85Å; E1459-K1463 IonicContact OE2-NZ 2.74Å; E1459-K1463 PolarHBondContact OE2-NZ 3.25Å
1460T78.2Confident81.2Confident66 Ų6689.1 Ų89.141%0.40547%0.466SS..Hα-helixtrans-71.6-36.9174.556.20000112.7Q1456 L1457 K1463 C1464Q1456-T1460 WeakPolarHBondContact O-CG2 3.48Å; Q1456-T1460 PolarHBondContact O-N 3Å; Q1456-T1460 PolarHBondContact O-OG1 2.93Å; L1457-T1460 WeakPolarHBondContact CA-OG1 3.15Å; L1457-T1460 CarbonylContact O-C 3.58Å; L1457-T1460 PolarHBondContact O-N 2.84Å; L1457-T1460 VanDerWaalsContact O-N 3.13Å; L1457-T1460 PolarHBondContact O-OG1 2.91Å; T1460-K1463 CarbonylContact O-C 3.58Å; T1460-K1463 WeakPolarHBondContact O-CA 3.11Å; T1460-K1463 WeakPolarHBondContact O-CB 3.33Å; T1460-K1463 PolarHBondContact O-N 2.86Å; T1460-K1463 VanDerWaalsContact O-N 3.14Å; T1460-C1464 WeakPolarHBondContact O-CB 3.42Å; T1460-C1464 PolarHBondContact O-N 3.08Å; T1460-C1464 PolarHBondContact O-SG 2.83Å
1461E83.7Confident80.9Confident84 Ų8489.4 Ų89.439%0.39347%0.467SS..Hα-helixtrans-66.4-40.7177.9-165.1-134.9-170.400110.4L1457 L1458 C1464 K1465L1457-E1461 WeakPolarHBondContact O-CB 3.3Å; L1457-E1461 PolarHBondContact O-N 2.91Å; L1458-E1461 PolarHBondContact O-N 3Å; E1461-C1464 CarbonylContact O-C 3.54Å; E1461-C1464 PolarHBondContact O-N 3.16Å; E1461-K1465 WeakPolarHBondContact O-CB 3.25Å; E1461-K1465 WeakPolarHBondContact O-CG 3.39Å; E1461-K1465 PolarHBondContact O-N 3.21Å; E1461-K1465 WeakPolarHBondContact OE1-CE 3.42Å; E1461-K1465 IonicContact OE1-NZ 2.74Å; E1461-K1465 PolarHBondContact OE1-NZ 2.78Å; E1461-K1465 WeakPolarHBondContact OE2-CE 3.31Å; E1461-K1465 IonicContact OE2-NZ 2.91Å; E1461-K1465 PolarHBondContact OE2-NZ 3.49Å
1462N84.2Confident80.5Confident90 Ų9091.3 Ų91.348%0.48147%0.474SS..Hα-helixtrans-65.7-35.5171.1-77-65.7000112.6L1458 K1465 S1466L1458-N1462 WeakPolarHBondContact O-CB 3.5Å; L1458-N1462 PolarHBondContact O-N 2.87Å; L1458-N1462 PolarHBondContact O-ND2 3.19Å; N1462-K1465 PolarHBondContact O-N 3.34Å; N1462-S1466 WeakPolarHBondContact O-CB 3.02Å; N1462-S1466 PolarHBondContact O-N 3.24Å
1463K82.6Confident80.1Confident98 Ų9893.8 Ų93.843%0.42649%0.488SS..Hα-helixtrans-67.7-38.1170.5-72162.6-170163.50112E1459 T1460 S1466 L1467E1459-K1463 WeakPolarHBondContact O-CD 3.29Å; E1459-K1463 VanDerWaalsContact O-CG 3.25Å; E1459-K1463 WeakPolarHBondContact O-CG 3.26Å; E1459-K1463 PolarHBondContact O-N 3.16Å; E1459-K1463 VanDerWaalsContact O-N 3.09Å; E1459-K1463 WeakPolarHBondContact OE1-CE 3.37Å; E1459-K1463 IonicContact OE1-NZ 2.74Å; E1459-K1463 PolarHBondContact OE1-NZ 2.85Å; E1459-K1463 IonicContact OE2-NZ 2.74Å; E1459-K1463 PolarHBondContact OE2-NZ 3.25Å; T1460-K1463 CarbonylContact O-C 3.58Å; T1460-K1463 WeakPolarHBondContact O-CA 3.11Å; T1460-K1463 WeakPolarHBondContact O-CB 3.33Å; T1460-K1463 PolarHBondContact O-N 2.86Å; T1460-K1463 VanDerWaalsContact O-N 3.14Å; K1463-S1466 PolarHBondContact O-N 3.14Å; K1463-L1467 WeakPolarHBondContact O-CB 3.42Å; K1463-L1467 VanDerWaalsContact O-CG 3.31Å; K1463-L1467 WeakPolarHBondContact O-CG 3.37Å; K1463-L1467 PolarHBondContact O-N 3.3Å
1464C74Confident79.8Confident79 Ų7997.2 Ų97.253%0.53449%0.493SS..Hα-helixtrans-67.4-37.5174.6-72.80000111.6T1460 E1461 L1467 S1468T1460-C1464 WeakPolarHBondContact O-CB 3.42Å; T1460-C1464 PolarHBondContact O-N 3.08Å; T1460-C1464 PolarHBondContact O-SG 2.83Å; E1461-C1464 CarbonylContact O-C 3.54Å; E1461-C1464 PolarHBondContact O-N 3.16Å; C1464-L1467 PolarHBondContact O-N 3.38Å; C1464-S1468 WeakPolarHBondContact O-CB 3.47Å; C1464-S1468 PolarHBondContact O-N 3.34Å
1465K82.4Confident79.4Confident110 Ų11098.6 Ų98.648%0.47849%0.492SS..Hα-helixtrans-64.4-41.4170.5-72.8165.4179.9168.90111.7E1461 N1462 S1468 K1469E1461-K1465 WeakPolarHBondContact O-CB 3.25Å; E1461-K1465 WeakPolarHBondContact O-CG 3.39Å; E1461-K1465 PolarHBondContact O-N 3.21Å; E1461-K1465 WeakPolarHBondContact OE1-CE 3.42Å; E1461-K1465 IonicContact OE1-NZ 2.74Å; E1461-K1465 PolarHBondContact OE1-NZ 2.78Å; E1461-K1465 WeakPolarHBondContact OE2-CE 3.31Å; E1461-K1465 IonicContact OE2-NZ 2.91Å; E1461-K1465 PolarHBondContact OE2-NZ 3.49Å; N1462-K1465 PolarHBondContact O-N 3.34Å; K1465-S1468 PolarHBondContact O-N 2.7Å; K1465-K1469 PolarHBondContact O-N 3.21Å
1466S81.7Confident78.8Confident66 Ų6697.4 Ų97.446%0.46249%0.49SS..Hα-helixtrans-64.9-46.1174.5-174.10000112.4N1462 K1463 S1468 K1469 Q1470N1462-S1466 WeakPolarHBondContact O-CB 3.02Å; N1462-S1466 PolarHBondContact O-N 3.24Å; K1463-S1466 PolarHBondContact O-N 3.14Å; S1466-S1468 VanDerWaalsContact C-N 3.34Å; S1466-S1468 PolarHBondContact O-N 3.3Å; S1466-K1469 WeakPolarHBondContact O-CB 3.05Å; S1466-K1469 PolarHBondContact O-N 3.28Å; S1466-Q1470 PolarHBondContact O-N 3Å
1467L74.5Confident78.3Confident92 Ų9296.3 Ų96.348%0.48249%0.49SS..Hα-helixtrans-64.7-36.3173.9-73.9169.7000111.7K1463 C1464 K1469 Q1470 L1471K1463-L1467 WeakPolarHBondContact O-CB 3.42Å; K1463-L1467 VanDerWaalsContact O-CG 3.31Å; K1463-L1467 WeakPolarHBondContact O-CG 3.37Å; K1463-L1467 PolarHBondContact O-N 3.3Å; C1464-L1467 PolarHBondContact O-N 3.38Å; L1467-K1469 VanDerWaalsContact C-N 3.31Å; L1467-K1469 PolarHBondContact O-N 2.79Å; L1467-Q1470 CarbonylContact O-C 3.51Å; L1467-Q1470 PolarHBondContact O-N 2.82Å; L1467-L1471 VanDerWaalsContact O-CB 3.26Å; L1467-L1471 WeakPolarHBondContact O-CB 3.12Å; L1467-L1471 VanDerWaalsContact O-CG 3.26Å; L1467-L1471 WeakPolarHBondContact O-CG 3.43Å; L1467-L1471 PolarHBondContact O-N 3.2Å
1468S75.5Confident78Confident74 Ų7495.1 Ų95.152%0.51748%0.483SS..Hα-helixtrans-66.5-32.3174.5-173.70000112C1464 K1465 S1466 L1472C1464-S1468 WeakPolarHBondContact O-CB 3.47Å; C1464-S1468 PolarHBondContact O-N 3.34Å; K1465-S1468 PolarHBondContact O-N 2.7Å; S1466-S1468 VanDerWaalsContact C-N 3.34Å; S1466-S1468 PolarHBondContact O-N 3.3Å; S1468-L1472 WeakPolarHBondContact O-CB 3.33Å; S1468-L1472 PolarHBondContact O-N 3.32Å
1469K81.8Confident77.4Confident129 Ų12993.5 Ų93.556%0.56148%0.475SS*.Hα-helixtrans-69.2-45.4170.9-172174-174.7-70.70111.2K1465 S1466 L1467 L1471 L1472 E1473K1465-K1469 PolarHBondContact O-N 3.21Å; S1466-K1469 WeakPolarHBondContact O-CB 3.05Å; S1466-K1469 PolarHBondContact O-N 3.28Å; L1467-K1469 VanDerWaalsContact C-N 3.31Å; L1467-K1469 PolarHBondContact O-N 2.79Å; K1469-L1471 VanDerWaalsContact C-N 3.29Å; K1469-L1471 PolarHBondContact O-N 3.2Å; K1469-L1472 PolarHBondContact O-N 2.73Å; K1469-E1473 IonicContact NZ-OE1 2.63Å; K1469-E1473 PolarHBondContact NZ-OE1 2.65Å; K1469-E1473 WeakPolarHBondContact O-CG 3.08Å; K1469-E1473 PolarHBondContact O-N 3.31Å
1470Q76Confident76.9Confident79 Ų7994.7 Ų94.737%0.36948%0.48SS..Hα-helixtrans-65.7-29174.3-68.1-175.312.300113.4S1466 L1467 R1474S1466-Q1470 PolarHBondContact O-N 3Å; L1467-Q1470 CarbonylContact O-C 3.51Å; L1467-Q1470 PolarHBondContact O-N 2.82Å; Q1470-R1474 WeakPolarHBondContact O-CB 3.45Å; Q1470-R1474 VanDerWaalsContact O-CG 3.3Å; Q1470-R1474 WeakPolarHBondContact O-CG 2.99Å; Q1470-R1474 PolarHBondContact O-N 2.84Å
1471L74.8Confident76.8Confident105 Ų10598.7 Ų98.755%0.5549%0.488SS..Hα-helixtrans-78.3-30174.1-77.8168.9000111.6L1467 K1469 R1474 K1475L1467-L1471 VanDerWaalsContact O-CB 3.26Å; L1467-L1471 WeakPolarHBondContact O-CB 3.12Å; L1467-L1471 VanDerWaalsContact O-CG 3.26Å; L1467-L1471 WeakPolarHBondContact O-CG 3.43Å; L1467-L1471 PolarHBondContact O-N 3.2Å; K1469-L1471 VanDerWaalsContact C-N 3.29Å; K1469-L1471 PolarHBondContact O-N 3.2Å; L1471-R1474 CarbonylContact O-C 3.56Å; L1471-K1475 WeakPolarHBondContact O-CA 3.47Å; L1471-K1475 WeakPolarHBondContact O-CB 3.13Å; L1471-K1475 PolarHBondContact O-N 3.49Å
1472L76.3Confident76.4Confident109 Ų10998.4 Ų98.457%0.57149%0.489SS*.Hα-helixtrans-70.2-46.1170.8-170.665.5000110.8S1468 K1469 R1474 K1475 D1476S1468-L1472 WeakPolarHBondContact O-CB 3.33Å; S1468-L1472 PolarHBondContact O-N 3.32Å; K1469-L1472 PolarHBondContact O-N 2.73Å; L1472-R1474 PolarHBondContact O-N 3.39Å; L1472-K1475 WeakPolarHBondContact O-CA 3.47Å; L1472-K1475 VanDerWaalsContact O-CB 3.26Å; L1472-K1475 WeakPolarHBondContact O-CB 3.49Å; L1472-K1475 PolarHBondContact O-N 2.89Å; L1472-D1476 PolarHBondContact O-N 3.41Å
1473E75.2Confident76Confident103 Ų103100.8 Ų100.848%0.48150%0.497SS..Hα-helixtrans-62.4-30.5173.6-71.2163.5178.100112.7K1469K1469-E1473 IonicContact NZ-OE1 2.63Å; K1469-E1473 PolarHBondContact NZ-OE1 2.65Å; K1469-E1473 WeakPolarHBondContact O-CG 3.08Å; K1469-E1473 PolarHBondContact O-N 3.31Å
1474R75.9Confident75.8Confident141 Ų141100.7 Ų100.753%0.53250%0.502SS..Hα-helixtrans-81.8-19.7168.3-76.5-175-179.4105.82.8113.7Q1470 L1471 L1472 D1476 V1477 I1478Q1470-R1474 WeakPolarHBondContact O-CB 3.45Å; Q1470-R1474 VanDerWaalsContact O-CG 3.3Å; Q1470-R1474 WeakPolarHBondContact O-CG 2.99Å; Q1470-R1474 PolarHBondContact O-N 2.84Å; L1471-R1474 CarbonylContact O-C 3.56Å; L1472-R1474 PolarHBondContact O-N 3.39Å; R1474-D1476 VanDerWaalsContact C-N 3.3Å; R1474-D1476 PolarHBondContact O-N 3.16Å; R1474-V1477 CarbonylContact O-C 3.48Å; R1474-V1477 PolarHBondContact O-N 3.46Å; R1474-I1478 HydrophobicContact CB-CD1 4.41Å; R1474-I1478 WeakPolarHBondContact O-CB 3.13Å; R1474-I1478 VanDerWaalsContact O-CG1 3.24Å; R1474-I1478 WeakPolarHBondContact O-CG1 3.2Å; R1474-I1478 PolarHBondContact O-N 2.76Å
1475K75.7Confident76.2Confident109 Ų109101.8 Ų101.847%0.47450%0.501SS..Hα-helixtrans-64.6-40.4-179.5-166.9-167.3174.6-161.90109.7L1471 L1472 V1477 I1478 L1479L1471-K1475 WeakPolarHBondContact O-CA 3.47Å; L1471-K1475 WeakPolarHBondContact O-CB 3.13Å; L1471-K1475 PolarHBondContact O-N 3.49Å; L1472-K1475 WeakPolarHBondContact O-CA 3.47Å; L1472-K1475 VanDerWaalsContact O-CB 3.26Å; L1472-K1475 WeakPolarHBondContact O-CB 3.49Å; L1472-K1475 PolarHBondContact O-N 2.89Å; K1475-V1477 VanDerWaalsContact C-N 3.32Å; K1475-V1477 PolarHBondContact O-N 3.42Å; K1475-I1478 CarbonylContact O-C 3.46Å; K1475-I1478 WeakPolarHBondContact O-CA 3.33Å; K1475-I1478 PolarHBondContact O-N 3.48Å; K1475-I1478 VanDerWaalsContact O-N 3.08Å; K1475-L1479 HydrophobicContact CD-CD1 4.36Å; K1475-L1479 HydrophobicContact CG-CD1 4.24Å; K1475-L1479 HydrophobicContact CG-CG 4.34Å; K1475-L1479 WeakPolarHBondContact O-CG 3.33Å; K1475-L1479 PolarHBondContact O-N 3.14Å
1476D72.6Confident76.2Confident104 Ų104102.8 Ų102.856%0.55651%0.506SS*.Hα-helixtrans-63.9-39.6178.8-56.4-23.6000111.1L1472 R1474 I1478 L1479 E1480L1472-D1476 PolarHBondContact O-N 3.41Å; R1474-D1476 VanDerWaalsContact C-N 3.3Å; R1474-D1476 PolarHBondContact O-N 3.16Å; D1476-I1478 VanDerWaalsContact C-N 3.31Å; D1476-I1478 PolarHBondContact O-N 2.89Å; D1476-L1479 PolarHBondContact O-N 3.38Å; D1476-E1480 PolarHBondContact O-N 3.36Å
1477V73.2Confident76.1Confident69 Ų69104.5 Ų104.542%0.41851%0.509SS..Hα-helixtrans-72.4-21.1173.8-175.60000113.2R1474 K1475R1474-V1477 CarbonylContact O-C 3.48Å; R1474-V1477 PolarHBondContact O-N 3.46Å; K1475-V1477 VanDerWaalsContact C-N 3.32Å; K1475-V1477 PolarHBondContact O-N 3.42Å
1478I73.9Confident76.4Confident80 Ų80105.8 Ų105.841%0.4152%0.516SS..Hα-helixtrans-82.9-38171.8-71.8164.3000110R1474 K1475 D1476 R1481 D1482R1474-I1478 HydrophobicContact CB-CD1 4.41Å; R1474-I1478 WeakPolarHBondContact O-CB 3.13Å; R1474-I1478 VanDerWaalsContact O-CG1 3.24Å; R1474-I1478 WeakPolarHBondContact O-CG1 3.2Å; R1474-I1478 PolarHBondContact O-N 2.76Å; K1475-I1478 CarbonylContact O-C 3.46Å; K1475-I1478 WeakPolarHBondContact O-CA 3.33Å; K1475-I1478 PolarHBondContact O-N 3.48Å; K1475-I1478 VanDerWaalsContact O-N 3.08Å; D1476-I1478 VanDerWaalsContact C-N 3.31Å; D1476-I1478 PolarHBondContact O-N 2.89Å; I1478-R1481 CarbonylContact O-C 3.52Å; I1478-R1481 WeakPolarHBondContact O-CA 3.44Å; I1478-R1481 WeakPolarHBondContact O-CB 3.38Å; I1478-R1481 PolarHBondContact O-N 2.87Å; I1478-R1481 VanDerWaalsContact O-N 3.08Å; I1478-D1482 WeakPolarHBondContact CG2-OD2 3.42Å; I1478-D1482 WeakPolarHBondContact O-CB 3.49Å; I1478-D1482 PolarHBondContact O-N 3.48Å
1479L70.9Confident76.5Confident72 Ų72104.6 Ų104.638%0.37751%0.508SS..Hα-helixtrans-64.5-42.7175-73.3169.1000111.6K1475 D1476 R1481 D1482 E1483K1475-L1479 HydrophobicContact CD-CD1 4.36Å; K1475-L1479 HydrophobicContact CG-CD1 4.24Å; K1475-L1479 HydrophobicContact CG-CG 4.34Å; K1475-L1479 WeakPolarHBondContact O-CG 3.33Å; K1475-L1479 PolarHBondContact O-N 3.14Å; D1476-L1479 PolarHBondContact O-N 3.38Å; L1479-R1481 PolarHBondContact O-N 2.88Å; L1479-D1482 PolarHBondContact O-N 2.73Å; L1479-D1482 VanDerWaalsContact O-N 3.1Å; L1479-E1483 PolarHBondContact O-N 2.67Å
1480E72.1Confident76.5Confident130 Ų130104 Ų10461%0.60751%0.506SS*.Hα-helixtrans-56.9-36.6170.7-172.2177.8-143.300111.5D1476 D1484D1476-E1480 PolarHBondContact O-N 3.36Å; E1480-D1484 PolarHBondContact O-N 3.43Å
1481R76.2Confident76.9Confident149 Ų149105.3 Ų105.356%0.56252%0.516SS*.Hα-helixtrans-78.2-29.4173.7-84.4-174.7156.667.712.2114.7I1478 L1479 E1483 D1484 I1485I1478-R1481 CarbonylContact O-C 3.52Å; I1478-R1481 WeakPolarHBondContact O-CA 3.44Å; I1478-R1481 WeakPolarHBondContact O-CB 3.38Å; I1478-R1481 PolarHBondContact O-N 2.87Å; I1478-R1481 VanDerWaalsContact O-N 3.08Å; L1479-R1481 PolarHBondContact O-N 2.88Å; R1481-E1483 VanDerWaalsContact C-N 3.34Å; R1481-D1484 PolarHBondContact O-N 2.73Å; R1481-I1485 VanDerWaalsContact O-CB 3.28Å; R1481-I1485 WeakPolarHBondContact O-CB 3.4Å; R1481-I1485 WeakPolarHBondContact O-CD1 3.16Å; R1481-I1485 WeakPolarHBondContact O-CG1 3.46Å; R1481-I1485 PolarHBondContact O-N 3.02Å
1482D74.5Confident77.4Confident79 Ų79105.6 Ų105.642%0.42251%0.513SS..Hα-helixtrans-76.2-28.8177.9-71.7-21.1000109.9I1478 L1479 F1486I1478-D1482 WeakPolarHBondContact CG2-OD2 3.42Å; I1478-D1482 WeakPolarHBondContact O-CB 3.49Å; I1478-D1482 PolarHBondContact O-N 3.48Å; L1479-D1482 PolarHBondContact O-N 2.73Å; L1479-D1482 VanDerWaalsContact O-N 3.1Å; D1482-F1486 WeakPolarHBondContact O-CB 3.25Å; D1482-F1486 PolarHBondContact O-N 3.49Å
1483E76.2Confident77.8Confident139 Ų139106.5 Ų106.565%0.6551%0.512SS*.Hα-helixtrans-66.8-47.1166.1-72.7-179.1-166.900111.4L1479 R1481 I1485 F1486 L1487L1479-E1483 PolarHBondContact O-N 2.67Å; R1481-E1483 VanDerWaalsContact C-N 3.34Å; E1483-I1485 VanDerWaalsContact C-N 3.34Å; E1483-I1485 PolarHBondContact O-N 2.78Å; E1483-F1486 PolarHBondContact O-N 3.2Å; E1483-L1487 WeakPolarHBondContact O-CG 3.37Å; E1483-L1487 PolarHBondContact O-N 3.13Å
1484D79.3Confident78.2Confident97 Ų97103.7 Ų103.752%0.51950%0.504SS..Hα-helixtrans-57.1-44.6170.8-89-16.4000111.9E1480 R1481 L1487 L1488E1480-D1484 PolarHBondContact O-N 3.43Å; R1481-D1484 PolarHBondContact O-N 2.73Å; D1484-L1487 PolarHBondContact O-N 2.94Å; D1484-L1488 WeakPolarHBondContact O-CB 3.19Å; D1484-L1488 VanDerWaalsContact O-CG 3.27Å; D1484-L1488 WeakPolarHBondContact O-CG 3.16Å; D1484-L1488 PolarHBondContact O-N 2.9Å
1485I81.6Confident78.4Confident101 Ų101102.2 Ų102.252%0.51851%0.506SS..Hα-helixtrans-70.3-33.3179.1-73.6165.6000111.2R1481 E1483 S1489R1481-I1485 VanDerWaalsContact O-CB 3.28Å; R1481-I1485 WeakPolarHBondContact O-CB 3.4Å; R1481-I1485 WeakPolarHBondContact O-CD1 3.16Å; R1481-I1485 WeakPolarHBondContact O-CG1 3.46Å; R1481-I1485 PolarHBondContact O-N 3.02Å; E1483-I1485 VanDerWaalsContact C-N 3.34Å; E1483-I1485 PolarHBondContact O-N 2.78Å; I1485-S1489 WeakPolarHBondContact O-CB 3.35Å; I1485-S1489 PolarHBondContact O-N 2.89Å
1486F81.7Confident78.7Confident132 Ų132101.3 Ų101.358%0.57950%0.503SS*.Hα-helixtrans-65.7-47.1173.4-178.8-86.7000110.7D1482 E1483 L1488 S1489 E1490D1482-F1486 WeakPolarHBondContact O-CB 3.25Å; D1482-F1486 PolarHBondContact O-N 3.49Å; E1483-F1486 PolarHBondContact O-N 3.2Å; F1486-L1488 PolarHBondContact O-N 2.78Å; F1486-S1489 CarbonylContact O-C 3.52Å; F1486-S1489 WeakPolarHBondContact O-CA 3.4Å; F1486-S1489 WeakPolarHBondContact O-CB 3.5Å; F1486-S1489 PolarHBondContact O-N 2.87Å; F1486-E1490 PolarHBondContact O-N 3.15Å
1487L80.8Confident79.3Confident102 Ų102101.9 Ų101.953%0.53451%0.505SS..Hα-helixtrans-59.3-45.6174.4-71.4168000111.3E1483 D1484 S1489 E1490 D1491E1483-L1487 WeakPolarHBondContact O-CG 3.37Å; E1483-L1487 PolarHBondContact O-N 3.13Å; D1484-L1487 PolarHBondContact O-N 2.94Å; L1487-S1489 VanDerWaalsContact C-N 3.27Å; L1487-S1489 PolarHBondContact O-N 3.2Å; L1487-E1490 PolarHBondContact O-N 2.91Å; L1487-D1491 WeakPolarHBondContact O-CB 3.35Å; L1487-D1491 PolarHBondContact O-N 3.49Å
1488L79.8Confident79.9Confident118 Ų118103.9 Ų103.962%0.61851%0.508SS*.Hα-helixtrans-65.7-26.3173.9-71.2169.3000113.1D1484 F1486 K1492D1484-L1488 WeakPolarHBondContact O-CB 3.19Å; D1484-L1488 VanDerWaalsContact O-CG 3.27Å; D1484-L1488 WeakPolarHBondContact O-CG 3.16Å; D1484-L1488 PolarHBondContact O-N 2.9Å; F1486-L1488 PolarHBondContact O-N 2.78Å; L1488-K1492 WeakPolarHBondContact O-CB 3.34Å; L1488-K1492 PolarHBondContact O-N 3.3Å
1489S79Confident80.2Confident50 Ų50103.3 Ų103.335%0.3551%0.509SS..Hα-helixtrans-77.4-37.7174.8-165.50000111.9I1485 F1486 L1487 K1492 K1493I1485-S1489 WeakPolarHBondContact O-CB 3.35Å; I1485-S1489 PolarHBondContact O-N 2.89Å; F1486-S1489 CarbonylContact O-C 3.52Å; F1486-S1489 WeakPolarHBondContact O-CA 3.4Å; F1486-S1489 WeakPolarHBondContact O-CB 3.5Å; F1486-S1489 PolarHBondContact O-N 2.87Å; L1487-S1489 VanDerWaalsContact C-N 3.27Å; L1487-S1489 PolarHBondContact O-N 3.2Å; S1489-K1492 PolarHBondContact O-N 3.01Å; S1489-K1493 WeakPolarHBondContact O-CB 3.35Å; S1489-K1493 WeakPolarHBondContact O-CG 3.38Å; S1489-K1493 PolarHBondContact O-N 3.47Å
1490E81.6Confident80.8Confident115 Ų115103.4 Ų103.454%0.53751%0.512SS..Hα-helixtrans-68.7-43.1173.3-170.3166.6-159.400110.9F1486 L1487 K1493 S1494F1486-E1490 PolarHBondContact O-N 3.15Å; L1487-E1490 PolarHBondContact O-N 2.91Å; E1490-K1493 PolarHBondContact O-N 2.73Å; E1490-S1494 VanDerWaalsContact O-CB 3.23Å; E1490-S1494 WeakPolarHBondContact O-CB 3.33Å; E1490-S1494 PolarHBondContact O-N 2.95Å
1491D83.1Confident81.2Confident107 Ų107101.8 Ų101.857%0.57251%0.505SS*.Hα-helixtrans-62.7-39.8169.9-97-17.9000111.9L1487 S1494 L1495L1487-D1491 WeakPolarHBondContact O-CB 3.35Å; L1487-D1491 PolarHBondContact O-N 3.49Å; D1491-S1494 CarbonylContact O-C 3.53Å; D1491-S1494 WeakPolarHBondContact O-CB 3.37Å; D1491-S1494 PolarHBondContact O-N 3.42Å; D1491-L1495 WeakPolarHBondContact O-CB 3.44Å; D1491-L1495 PolarHBondContact O-N 3.39Å
1492K85Confident81.4Confident111 Ų11199.3 Ų99.348%0.48350%0.502SS..Hα-helixtrans-62.3-45.7174.1178179.1172.8-68.80111.6L1488 S1489 S1494 L1495 E1496L1488-K1492 WeakPolarHBondContact O-CB 3.34Å; L1488-K1492 PolarHBondContact O-N 3.3Å; S1489-K1492 PolarHBondContact O-N 3.01Å; K1492-S1494 VanDerWaalsContact C-N 3.34Å; K1492-S1494 PolarHBondContact O-N 2.71Å; K1492-L1495 CarbonylContact O-C 3.49Å; K1492-L1495 WeakPolarHBondContact O-CA 3.48Å; K1492-L1495 WeakPolarHBondContact O-CB 3.34Å; K1492-L1495 PolarHBondContact O-N 3.29Å; K1492-L1495 VanDerWaalsContact O-N 3.12Å; K1492-E1496 WeakPolarHBondContact CE-OE1 3.48Å; K1492-E1496 IonicContact NZ-OE1 2.68Å; K1492-E1496 PolarHBondContact NZ-OE1 3.49Å; K1492-E1496 IonicContact NZ-OE2 3.01Å; K1492-E1496 PolarHBondContact NZ-OE2 3.24Å; K1492-E1496 WeakPolarHBondContact O-CG 3.48Å; K1492-E1496 PolarHBondContact O-N 2.81Å
1493K84.6Confident81.5Confident129 Ų129101 Ų10156%0.56151%0.507SS*.Hα-helixtrans-63.2-39.8174-74.4175.3-178.9-178.90111.7S1489 E1490 L1495 E1496 I1497S1489-K1493 WeakPolarHBondContact O-CB 3.35Å; S1489-K1493 WeakPolarHBondContact O-CG 3.38Å; S1489-K1493 PolarHBondContact O-N 3.47Å; E1490-K1493 PolarHBondContact O-N 2.73Å; K1493-L1495 PolarHBondContact O-N 2.78Å; K1493-E1496 PolarHBondContact O-N 3.3Å; K1493-I1497 WeakPolarHBondContact O-CB 3.26Å; K1493-I1497 VanDerWaalsContact O-CG1 3.27Å; K1493-I1497 WeakPolarHBondContact O-CG1 3.24Å; K1493-I1497 PolarHBondContact O-N 3.14Å
1494S83.6Confident81.8Confident44 Ų4499.9 Ų99.931%0.30851%0.505SS..Hα-helixtrans-63.2-30173.2-1750000112.4E1490 D1491 K1492 K1498E1490-S1494 VanDerWaalsContact O-CB 3.23Å; E1490-S1494 WeakPolarHBondContact O-CB 3.33Å; E1490-S1494 PolarHBondContact O-N 2.95Å; D1491-S1494 CarbonylContact O-C 3.53Å; D1491-S1494 WeakPolarHBondContact O-CB 3.37Å; D1491-S1494 PolarHBondContact O-N 3.42Å; K1492-S1494 VanDerWaalsContact C-N 3.34Å; K1492-S1494 PolarHBondContact O-N 2.71Å; S1494-K1498 VanDerWaalsContact O-CD 3.25Å; S1494-K1498 WeakPolarHBondContact O-CD 3.4Å; S1494-K1498 WeakPolarHBondContact O-CG 3.32Å; S1494-K1498 PolarHBondContact O-N 2.83Å; S1494-K1498 PolarHBondContact O-NZ 2.82Å; S1494-K1498 PolarHBondContact OG-NZ 3.18Å
1495L81.8Confident81.7Confident110 Ų11099.3 Ų99.358%0.57650%0.5SS*.Hα-helixtrans-77.7-43.2171.2-131.575.7000111.8D1491 K1492 K1493 I1497 K1498 V1499D1491-L1495 WeakPolarHBondContact O-CB 3.44Å; D1491-L1495 PolarHBondContact O-N 3.39Å; K1492-L1495 CarbonylContact O-C 3.49Å; K1492-L1495 WeakPolarHBondContact O-CA 3.48Å; K1492-L1495 WeakPolarHBondContact O-CB 3.34Å; K1492-L1495 PolarHBondContact O-N 3.29Å; K1492-L1495 VanDerWaalsContact O-N 3.12Å; K1493-L1495 PolarHBondContact O-N 2.78Å; L1495-I1497 PolarHBondContact O-N 3.4Å; L1495-K1498 CarbonylContact O-C 3.41Å; L1495-K1498 WeakPolarHBondContact O-CA 3.44Å; L1495-K1498 WeakPolarHBondContact O-CB 3.48Å; L1495-K1498 PolarHBondContact O-N 3.23Å; L1495-K1498 VanDerWaalsContact O-N 3.11Å; L1495-V1499 WeakPolarHBondContact O-CG2 3.32Å; L1495-V1499 PolarHBondContact O-N 2.94Å
1496E81.7Confident81.2Confident89 Ų8998.8 Ų98.842%0.41650%0.497SS..Hα-helixtrans-62.6-41.8178.4-74.7171.6145.100111.2K1492 K1493 K1498 V1499 T1500K1492-E1496 WeakPolarHBondContact CE-OE1 3.48Å; K1492-E1496 IonicContact NZ-OE1 2.68Å; K1492-E1496 PolarHBondContact NZ-OE1 3.49Å; K1492-E1496 IonicContact NZ-OE2 3.01Å; K1492-E1496 PolarHBondContact NZ-OE2 3.24Å; K1492-E1496 WeakPolarHBondContact O-CG 3.48Å; K1492-E1496 PolarHBondContact O-N 2.81Å; K1493-E1496 PolarHBondContact O-N 3.3Å; E1496-K1498 VanDerWaalsContact C-N 3.32Å; E1496-K1498 PolarHBondContact O-N 2.88Å; E1496-V1499 PolarHBondContact O-N 3.3Å; E1496-T1500 PolarHBondContact O-N 3.26Å; E1496-T1500 PolarHBondContact O-OG1 2.73Å; E1496-T1500 VanDerWaalsContact O-OG1 3.04Å
1497I84.9Confident80.8Confident116 Ų11696.6 Ų96.660%0.59549%0.488SS*.Hα-helixtrans-61.1-39.8172.2-69.2164.9000111.3K1493 L1495 T1500 Q1501K1493-I1497 WeakPolarHBondContact O-CB 3.26Å; K1493-I1497 VanDerWaalsContact O-CG1 3.27Å; K1493-I1497 WeakPolarHBondContact O-CG1 3.24Å; K1493-I1497 PolarHBondContact O-N 3.14Å; L1495-I1497 PolarHBondContact O-N 3.4Å; I1497-T1500 WeakPolarHBondContact CA-OG1 3.3Å; I1497-T1500 PolarHBondContact O-OG1 3.01Å; I1497-T1500 VanDerWaalsContact O-OG1 3.05Å; I1497-Q1501 VanDerWaalsContact O-CB 3.24Å; I1497-Q1501 WeakPolarHBondContact O-CB 3.41Å; I1497-Q1501 PolarHBondContact O-N 3.09Å
1498K85Confident80.5Confident111 Ų11196.9 Ų96.948%0.48349%0.487SS..Hα-helixtrans-70.1-36.3175.4-72.8166.9-170.8127.10112.5S1494 L1495 E1496 L1502S1494-K1498 VanDerWaalsContact O-CD 3.25Å; S1494-K1498 WeakPolarHBondContact O-CD 3.4Å; S1494-K1498 WeakPolarHBondContact O-CG 3.32Å; S1494-K1498 PolarHBondContact O-N 2.83Å; S1494-K1498 PolarHBondContact O-NZ 2.82Å; S1494-K1498 PolarHBondContact OG-NZ 3.18Å; L1495-K1498 CarbonylContact O-C 3.41Å; L1495-K1498 WeakPolarHBondContact O-CA 3.44Å; L1495-K1498 WeakPolarHBondContact O-CB 3.48Å; L1495-K1498 PolarHBondContact O-N 3.23Å; L1495-K1498 VanDerWaalsContact O-N 3.11Å; E1496-K1498 VanDerWaalsContact C-N 3.32Å; E1496-K1498 PolarHBondContact O-N 2.88Å; K1498-L1502 WeakPolarHBondContact O-CB 3.01Å; K1498-L1502 VanDerWaalsContact O-CG 3.25Å; K1498-L1502 WeakPolarHBondContact O-CG 3.47Å; K1498-L1502 PolarHBondContact O-N 3.48Å
1499V81.3Confident79.9Confident69 Ų6996.4 Ų96.442%0.41849%0.485SS..Hα-helixtrans-66.3-48.9175169.20000109.6L1495 E1496 Q1501 L1502 E1503L1495-V1499 WeakPolarHBondContact O-CG2 3.32Å; L1495-V1499 PolarHBondContact O-N 2.94Å; E1496-V1499 PolarHBondContact O-N 3.3Å; V1499-Q1501 VanDerWaalsContact C-N 3.32Å; V1499-Q1501 PolarHBondContact O-N 2.59Å; V1499-L1502 CarbonylContact O-C 3.27Å; V1499-L1502 PolarHBondContact O-N 2.7Å; V1499-L1502 VanDerWaalsContact O-N 3.11Å; V1499-E1503 HydrophobicContact CG1-CG 4.31Å; V1499-E1503 WeakPolarHBondContact O-CB 3.21Å; V1499-E1503 WeakPolarHBondContact O-CG 3.25Å; V1499-E1503 PolarHBondContact O-N 3.34Å
1500T82.3Confident79.5Confident73 Ų7396.9 Ų96.945%0.44848%0.48SS..Hα-helixtrans-64.3-34.9176.552.40000112.7E1496 I1497 E1503 L1504E1496-T1500 PolarHBondContact O-N 3.26Å; E1496-T1500 PolarHBondContact O-OG1 2.73Å; E1496-T1500 VanDerWaalsContact O-OG1 3.04Å; I1497-T1500 WeakPolarHBondContact CA-OG1 3.3Å; I1497-T1500 PolarHBondContact O-OG1 3.01Å; I1497-T1500 VanDerWaalsContact O-OG1 3.05Å; T1500-E1503 PolarHBondContact O-N 3.28Å; T1500-L1504 WeakPolarHBondContact O-CB 3.5Å; T1500-L1504 VanDerWaalsContact O-CG 3.27Å; T1500-L1504 WeakPolarHBondContact O-CG 3.18Å; T1500-L1504 PolarHBondContact O-N 2.84Å
1501Q82.1Confident78.8Confident97 Ų9794.4 Ų94.445%0.45347%0.473SS..Hα-helixtrans-64.1-41.7172.3176.661.338.600111.5I1497 V1499 L1504 E1505I1497-Q1501 VanDerWaalsContact O-CB 3.24Å; I1497-Q1501 WeakPolarHBondContact O-CB 3.41Å; I1497-Q1501 PolarHBondContact O-N 3.09Å; V1499-Q1501 VanDerWaalsContact C-N 3.32Å; V1499-Q1501 PolarHBondContact O-N 2.59Å; Q1501-L1504 PolarHBondContact O-N 3.36Å; Q1501-E1505 PolarHBondContact NE2-OE1 3.29Å; Q1501-E1505 WeakPolarHBondContact O-CG 3.4Å; Q1501-E1505 PolarHBondContact O-N 3.48Å
1502L78.6Confident78Confident97 Ų9794.8 Ų94.851%0.50847%0.472SS..Hα-helixtrans-70.9-33.8175.7-73.1168000112.4K1498 V1499 E1505 I1506K1498-L1502 WeakPolarHBondContact O-CB 3.01Å; K1498-L1502 VanDerWaalsContact O-CG 3.25Å; K1498-L1502 WeakPolarHBondContact O-CG 3.47Å; K1498-L1502 PolarHBondContact O-N 3.48Å; V1499-L1502 CarbonylContact O-C 3.27Å; V1499-L1502 PolarHBondContact O-N 2.7Å; V1499-L1502 VanDerWaalsContact O-N 3.11Å; L1502-E1505 PolarHBondContact O-N 2.79Å; L1502-I1506 VanDerWaalsContact O-CB 3.27Å; L1502-I1506 WeakPolarHBondContact O-CB 3.32Å; L1502-I1506 WeakPolarHBondContact O-CD1 3.34Å; L1502-I1506 WeakPolarHBondContact O-CG1 3.32Å; L1502-I1506 PolarHBondContact O-N 3.17Å
1503E78.5Confident76.4Confident114 Ų11491.4 Ų91.453%0.53346%0.46SS..Hα-helixtrans-67.9-37.1173.2-73174.7151.300111.5V1499 T1500 I1506 E1507V1499-E1503 HydrophobicContact CG1-CG 4.31Å; V1499-E1503 WeakPolarHBondContact O-CB 3.21Å; V1499-E1503 WeakPolarHBondContact O-CG 3.25Å; V1499-E1503 PolarHBondContact O-N 3.34Å; T1500-E1503 PolarHBondContact O-N 3.28Å; E1503-I1506 CarbonylContact O-C 3.59Å; E1503-I1506 PolarHBondContact O-N 2.84Å; E1503-E1507 PolarHBondContact O-N 3.01Å
1504L81.7Confident75.1Confident115 Ų11590.4 Ų90.460%0.60246%0.455SS*.Hα-helixtrans-65.7-46.1170.5-75.9167.9000112T1500 Q1501 I1506 E1507 E1508T1500-L1504 WeakPolarHBondContact O-CB 3.5Å; T1500-L1504 VanDerWaalsContact O-CG 3.27Å; T1500-L1504 WeakPolarHBondContact O-CG 3.18Å; T1500-L1504 PolarHBondContact O-N 2.84Å; Q1501-L1504 PolarHBondContact O-N 3.36Å; L1504-I1506 VanDerWaalsContact C-N 3.26Å; L1504-I1506 PolarHBondContact O-N 2.99Å; L1504-E1507 CarbonylContact O-C 3.59Å; L1504-E1507 PolarHBondContact O-N 3.06Å; L1504-E1507 VanDerWaalsContact O-N 3.14Å; L1504-E1508 PolarHBondContact O-N 2.94Å
1505E77.8Confident73.6Confident86 Ų8696.8 Ų96.840%0.40247%0.474SS..Hα-helixtrans-60.2-37.7173-77175.3-158.900111.5Q1501 L1502 E1508 L1509Q1501-E1505 PolarHBondContact NE2-OE1 3.29Å; Q1501-E1505 WeakPolarHBondContact O-CG 3.4Å; Q1501-E1505 PolarHBondContact O-N 3.48Å; L1502-E1505 PolarHBondContact O-N 2.79Å; E1505-E1508 PolarHBondContact O-N 3.07Å; E1505-L1509 VanDerWaalsContact O-CB 3.31Å; E1505-L1509 WeakPolarHBondContact O-CB 3.49Å; E1505-L1509 VanDerWaalsContact O-CG 3.22Å; E1505-L1509 WeakPolarHBondContact O-CG 3.46Å; E1505-L1509 PolarHBondContact O-N 3.23Å
1506I70.1Confident71.8Confident90 Ų9097.7 Ų97.746%0.46248%0.478SS..Hα-helixtrans-68.5-35.7174.6-73.8165.4000111.7L1502 E1503 L1504 L1509 K1510L1502-I1506 VanDerWaalsContact O-CB 3.27Å; L1502-I1506 WeakPolarHBondContact O-CB 3.32Å; L1502-I1506 WeakPolarHBondContact O-CD1 3.34Å; L1502-I1506 WeakPolarHBondContact O-CG1 3.32Å; L1502-I1506 PolarHBondContact O-N 3.17Å; E1503-I1506 CarbonylContact O-C 3.59Å; E1503-I1506 PolarHBondContact O-N 2.84Å; L1504-I1506 VanDerWaalsContact C-N 3.26Å; L1504-I1506 PolarHBondContact O-N 2.99Å; I1506-L1509 PolarHBondContact O-N 2.66Å; I1506-K1510 HydrophobicContact CG2-CD 4.1Å; I1506-K1510 WeakPolarHBondContact O-CA 3.43Å; I1506-K1510 WeakPolarHBondContact O-CB 3.41Å; I1506-K1510 WeakPolarHBondContact O-CD 3.25Å; I1506-K1510 WeakPolarHBondContact O-CG 3.23Å; I1506-K1510 PolarHBondContact O-N 3.38Å
1507E73.6Confident69.9Low85 Ų8598.9 Ų98.940%0.39749%0.487SS..Hα-helixtrans-79.8-11.6172.7-74.4-64.3159.100114.4E1503 L1504 K1510 T1511E1503-E1507 PolarHBondContact O-N 3.01Å; L1504-E1507 CarbonylContact O-C 3.59Å; L1504-E1507 PolarHBondContact O-N 3.06Å; L1504-E1507 VanDerWaalsContact O-N 3.14Å; E1507-K1510 HydrophobicContact CG-CD 4.08Å; E1507-K1510 CarbonylContact O-C 3.59Å; E1507-K1510 WeakPolarHBondContact O-CA 3.49Å; E1507-K1510 WeakPolarHBondContact OE1-CD 3.41Å; E1507-K1510 WeakPolarHBondContact OE1-CE 3.34Å; E1507-K1510 IonicContact OE1-NZ 3.85Å; E1507-K1510 PolarHBondContact OE1-NZ 2.66Å; E1507-K1510 WeakPolarHBondContact OE2-CD 3.45Å; E1507-T1511 WeakPolarHBondContact O-CA 3.12Å; E1507-T1511 PolarHBondContact O-N 2.95Å; E1507-T1511 PolarHBondContact O-OG1 3.49Å
1508E74.2Confident68Low108 Ų108103.6 Ų103.651%0.50550%0.498SS..Hα-helixtrans-83.3-29.4164.5-153.7-165.9144.800112.3L1504 E1505 K1510 T1511 Q1512L1504-E1508 PolarHBondContact O-N 2.94Å; E1505-E1508 PolarHBondContact O-N 3.07Å; E1508-K1510 VanDerWaalsContact C-CA 3.48Å; E1508-K1510 CarbonylContact C-O 3.37Å; E1508-K1510 CarbonylContact O-C 3.6Å; E1508-K1510 VanDerWaalsContact O-O 3.07Å; E1508-T1511 VanDerWaalsContact O-CA 3.24Å; E1508-T1511 WeakPolarHBondContact O-CA 3.4Å; E1508-T1511 PolarHBondContact O-N 3.22Å; E1508-Q1512 WeakPolarHBondContact O-CG 3.36Å; E1508-Q1512 PolarHBondContact O-N 3.28Å; E1508-Q1512 VanDerWaalsContact O-N 3.16Å; E1508-Q1512 PolarHBondContact OE1-NE2 3.31Å
1509L66.9Low65.9Low109 Ų109104.7 Ų104.757%0.57151%0.509SS*.Hα-helixtrans-97.8-7.1-175.8-70.8173.1000120.2E1505 I1506E1505-L1509 VanDerWaalsContact O-CB 3.31Å; E1505-L1509 WeakPolarHBondContact O-CB 3.49Å; E1505-L1509 VanDerWaalsContact O-CG 3.22Å; E1505-L1509 WeakPolarHBondContact O-CG 3.46Å; E1505-L1509 PolarHBondContact O-N 3.23Å; I1506-L1509 PolarHBondContact O-N 2.66Å
1510K70.5Confident64.1Low60 Ų60110.2 Ų110.226%0.26153%0.527SS..Hα-helixcis61.5-175.52939.7123.3175.1171.90108.1P1004 I1506 E1507 E1508 Q1512 V1513P1004-K1510 VanDerWaalsContact CD-C 3.46Å; P1004-K1510 WeakPolarHBondContact CD-O 3.5Å; P1004-K1510 HydrophobicContact CG-CB 4.07Å; P1004-K1510 WeakPolarHBondContact CG-O 3.46Å; P1004-K1510 WeakPolarHBondContact O-CB 3.38Å; P1004-K1510 WeakPolarHBondContact O-CG 3.16Å; P1004-K1510 PolarHBondContact O-N 2.71Å; P1004-K1510 VanDerWaalsContact O-N 3.1Å; I1506-K1510 HydrophobicContact CG2-CD 4.1Å; I1506-K1510 WeakPolarHBondContact O-CA 3.43Å; I1506-K1510 WeakPolarHBondContact O-CB 3.41Å; I1506-K1510 WeakPolarHBondContact O-CD 3.25Å; I1506-K1510 WeakPolarHBondContact O-CG 3.23Å; I1506-K1510 PolarHBondContact O-N 3.38Å; E1507-K1510 HydrophobicContact CG-CD 4.08Å; E1507-K1510 CarbonylContact O-C 3.59Å; E1507-K1510 WeakPolarHBondContact O-CA 3.49Å; E1507-K1510 WeakPolarHBondContact OE1-CD 3.41Å; E1507-K1510 WeakPolarHBondContact OE1-CE 3.34Å; E1507-K1510 IonicContact OE1-NZ 3.85Å; E1507-K1510 PolarHBondContact OE1-NZ 2.66Å; E1507-K1510 WeakPolarHBondContact OE2-CD 3.45Å; E1508-K1510 VanDerWaalsContact C-CA 3.48Å; E1508-K1510 CarbonylContact C-O 3.37Å; E1508-K1510 CarbonylContact O-C 3.6Å; E1508-K1510 VanDerWaalsContact O-O 3.07Å; K1510-Q1512 PolarHBondContact O-N 2.97Å; K1510-V1513 PolarHBondContact O-N 3.3Å
1511T66.9Low62.2Low62 Ų62114 Ų11438%0.3854%0.544SS..Hα-helixtrans43.4-94.715774.10000116.8T1002 E1507 E1508 V1513T1002-T1511 HydrophobicContact CG2-CG2 4.46Å; T1002-T1511 WeakPolarHBondContact O-CG2 3.37Å; E1507-T1511 WeakPolarHBondContact O-CA 3.12Å; E1507-T1511 PolarHBondContact O-N 2.95Å; E1507-T1511 PolarHBondContact O-OG1 3.49Å; E1508-T1511 VanDerWaalsContact O-CA 3.24Å; E1508-T1511 WeakPolarHBondContact O-CA 3.4Å; E1508-T1511 PolarHBondContact O-N 3.22Å; T1511-V1513 PolarHBondContact O-N 2.84Å
1512Q66.2Low60Low116 Ų116117.4 Ų117.454%0.54256%0.562SS.*THydrogen-bonded Turntrans-61.2-31.4-166.1-57.1173.92100115.3E1508 K1510E1508-Q1512 WeakPolarHBondContact O-CG 3.36Å; E1508-Q1512 PolarHBondContact O-N 3.28Å; E1508-Q1512 VanDerWaalsContact O-N 3.16Å; E1508-Q1512 PolarHBondContact OE1-NE2 3.31Å; K1510-Q1512 PolarHBondContact O-N 2.97Å
1513V51.9Low58Low39 Ų39118 Ų11824%0.23658%0.575CS.*THydrogen-bonded Turntrans-88.8-17.1-160179.50000115.9P1004 T1005 I1006 K1510 T1511P1004-V1513 HydrophobicContact CB-CB 3.64Å; P1004-V1513 HydrophobicContact CB-CG1 4.04Å; P1004-V1513 HydrophobicContact CG-CB 3.57Å; P1004-V1513 HydrophobicContact CG-CG1 4.49Å; T1005-V1513 WeakPolarHBondContact O-CB 3.45Å; T1005-V1513 VanDerWaalsContact O-CG1 3.23Å; T1005-V1513 WeakPolarHBondContact O-CG1 3.41Å; I1006-V1513 HydrophobicContact CB-CG1 4.25Å; I1006-V1513 HydrophobicContact CD1-CG1 3.38Å; I1006-V1513 HydrophobicContact CG1-CG1 3.58Å; K1510-V1513 PolarHBondContact O-N 3.3Å; T1511-V1513 PolarHBondContact O-N 2.84Å
1514K57.8Low55.7Low108 Ų108117.4 Ų117.447%0.4758%0.583SS.*THydrogen-bonded Turntrans-90.2-11.4175.3166.5169.6170.9-129.50113.1T1002 I1003 P1004 I1516T1002-K1514 HydrophobicContact CG2-CB 3.56Å; T1002-K1514 HydrophobicContact CG2-CD 3.61Å; T1002-K1514 HydrophobicContact CG2-CG 3.52Å; T1002-K1514 PolarHBondContact OG1-NZ 2.82Å; I1003-K1514 WeakPolarHBondContact O-CD 3.21Å; P1004-K1514 HydrophobicContact CB-CB 3.67Å; P1004-K1514 VanDerWaalsContact CB-N 3.31Å; P1004-K1514 HydrophobicContact CG-CB 4.04Å; P1004-K1514 VanDerWaalsContact CG-N 3.31Å; K1514-I1516 PolarHBondContact O-N 2.82Å
1515Y52.1Low53.1Low179 Ų179116.1 Ų116.170%0.70259%0.588SS**THydrogen-bonded Turntrans-74.52.6170.5-88.7-79.9000114T1002 D1517T1002-Y1515 HydrophobicContact CG2-CD2 4.26Å; T1002-Y1515 HydrophobicContact CG2-CE2 4.16Å; Y1515-D1517 VanDerWaalsContact C-N 3.26Å; Y1515-D1517 PolarHBondContact O-N 2.73Å
1516I44.1Very low50.6Low129 Ų129121.6 Ų121.666%0.66261%0.611SS**  trans-79.676.3170.8-52.3179.7000109.2K1514K1514-I1516 PolarHBondContact O-N 2.82Å
1517D41Very low48.7Very low113 Ų113123.4 Ų123.460%0.60463%0.626SS**  trans-61.7136.3180-179.522.9000112.5Y1515Y1515-D1517 VanDerWaalsContact C-N 3.26Å; Y1515-D1517 PolarHBondContact O-N 2.73Å
1518R44.9Very low46.4Very low215 Ų215126.8 Ų126.881%0.81164%0.642SS**SBendtrans-85.5-26.8-161.4-150.6172.6-167.7162.73.7113.3K1520R1518-K1520 VanDerWaalsContact C-N 3.34Å; R1518-K1520 PolarHBondContact O-N 3.39Å
1519D40.8Very low44.1Very low135 Ų135126.6 Ų126.672%0.72265%0.649SS**G310 helixtrans-79.4-15.1-169.5-75.1-7000113.7L1521D1519-L1521 PolarHBondContact O-N 3.19Å
1520K43.5Very low42.1Very low185 Ų185127.9 Ų127.980%0.80466%0.656SS**G310 helixtrans-77.1-12175.7-94.8173.5179.9162.90115.2R1518R1518-K1520 VanDerWaalsContact C-N 3.34Å; R1518-K1520 PolarHBondContact O-N 3.39Å
1521L42.3Very low40Very low153 Ų153131.7 Ų131.780%0.80168%0.678SS**G310 helixtrans-94.4-11.8-176-128.576.6000115.2D1519 S1523D1519-L1521 PolarHBondContact O-N 3.19Å; L1521-S1523 PolarHBondContact O-N 2.99Å
1522M37.2Very low38.1Very low167 Ų167135.8 Ų135.882%0.82370%0.695SS**THydrogen-bonded Turntrans-87.93.4-170.5-77.8-68-70.800115.7
1523S35.7Very low36.4Very low111 Ų111137 Ų13778%0.77671%0.705SS**THydrogen-bonded Turntrans-123.74-170.8-69.30000117.2L1521L1521-S1523 PolarHBondContact O-N 2.99Å
1524S30.1Very low35.1Very low101 Ų101141.2 Ų141.271%0.70674%0.737SS**  trans-145.583.4171.759.40000110.7
1525A26.9Very low33.7Very low87 Ų87147.1 Ų147.172%0.71976%0.756SS**  73.910967.900000114.8
1526F27.1Very low32.9Very low201 Ų201143.2 Ų143.288%0.88276%0.755SS**  trans71.5155.2158-89.3-101.8000120.2
1527V28.4Very low32Very low128 Ų128143.7 Ų143.778%0.77676%0.758SS**  trans67.195.8177.1-163.90000113.8
1528Q26Very low31.3Very low157 Ų157147 Ų14773%0.73477%0.767SS**  cis86.1111.744.3-164.8-170.8-38.300114.1
1529T26.6Very low30.5Very low104 Ų104141.8 Ų141.864%0.63876%0.764SS**  trans64.2145.715652.10000120.7
1530D25.2Very low29.8Very low136 Ų136141.7 Ų141.773%0.72777%0.768SS**  trans71.8143.1145.1-67.67000118.4
1531L26.4Very low29.2Very low139 Ų139141.8 Ų141.873%0.72877%0.769SS**  cis-161.7159.2-11.6-148.673.2000111.3
1532M26.6Very low28.7Very low148 Ų148141.5 Ų141.573%0.72977%0.766SS**  trans23.9128.5142.2-73.2-85.3156.100122.1
1533N30.4Very low28.2Very low142 Ų142138.9 Ų138.976%0.75976%0.76SS**  trans43.2118.3134.2-73.8-35.2000120.3
1534S24.8Very low27.8Very low128 Ų128141.6 Ų141.690%0.89576%0.76SS**  -168.1158.8117.733.50000115.8
1535R28.2Very low27.7Very low231 Ų231141.3 Ų141.387%0.87275%0.754SS**  trans-53148.9179.5-58.7162.3161.3161.9-9115.5
1536S34.2Very low27.8Very low98 Ų98143.4 Ų143.469%0.68575%0.754SS**  trans50.6129.8136.2680000121
1537L25.7Very low27.9Very low138 Ų138139.9 Ų139.972%0.72374%0.744SS**  151.6153.8129.3-81.6162000110.6
1538F25.7Very low28Very low182 Ų182140.5 Ų140.580%0.79874%0.741SS**  trans65.9128.7172.7-50.1-67000114.9
1539S28.6Very low28.6Very low107 Ų107138.4 Ų138.475%0.74874%0.741SS**  cis65.4100.816.5-165.90000115.9
1540T25.5Very low28.7Very low132 Ų132139.9 Ų139.981%0.8174%0.744SS**  trans173.3156.1137.1-71.70000110.1
1541K31Very low28.7Very low187 Ų187138.4 Ų138.481%0.81374%0.744SS**  trans-73.5173.3175-54.6175.7179-175.90112.1
1542I32.1Very low28.8Very low147 Ų147138.5 Ų138.575%0.75475%0.745SS**  trans146.9117150.2-79.3154.1000106.5
1543V26.9Very low28.8Very low113 Ų113139.6 Ų139.669%0.68575%0.748SS**  cis82.3137.340.7179.30000112.9
1544Q28.1Very low28.9Very low167 Ų167138.3 Ų138.378%0.7875%0.75SS**  trans71.7147.7173.7-76.4162.6-56.100118.2
1545T27.5Very low29.2Very low95 Ų95140.9 Ų140.958%0.58375%0.748SS**  cis-172.5174.9-34.329.70000106.5
1546D27.9Very low29.8Very low132 Ų132134.9 Ų134.971%0.70674%0.739SS**  trans71.4152.1157.8-39.1-52.2000115.6
1547D30.3Very low29.5Very low127 Ų127135.8 Ų135.868%0.67975%0.746SS**  cis-161.6139.1-12.1-127.3-13.9000111.3
1548I30Very low29.8Very low141 Ų141134.6 Ų134.672%0.72374%0.744SS**  trans64.2153.3140.7-74.4169000120.5
1549P38.9Very low30.2Very low113 Ų113136.2 Ų136.273%0.73475%0.746SS**  trans-111.1-126-158.442-29.4000114.2
1550I29Very low30.5Very low135 Ų135136.2 Ų136.269%0.69275%0.746SS**  trans93.899-176.3-54.5163.4000111.8L1552I1550-L1552 HydrophobicContact CG2-CD1 4.38Å
1551S25.5Very low30.9Very low105 Ų105136.9 Ų136.973%0.73475%0.745SS**  89.9163.363.6-64.50000114.3
1552L28Very low31.4Very low140 Ų140132.7 Ų132.773%0.73374%0.736SS**  trans76.4124.7178.7-60.8107.2000115.8I1550I1550-L1552 HydrophobicContact CG2-CD1 4.38Å
1553E25.7Very low31.6Very low171 Ų171130 Ų13080%0.79973%0.731SS**  cis93.6107.934.9-176.7-168.4167.500113.1
1554S33.6Very low32.1Very low116 Ų116134.5 Ų134.581%0.81174%0.741SS**  trans-173.7115.1143.951.60000112.4
1555Q31.5Very low32.2Very low182 Ų182133.1 Ų133.185%0.8574%0.739SS**  trans-82.3-152.6153.9-54.9-170.6-19.900108.5
1556P39.2Very low32.6Very low104 Ų104134 Ų13468%0.67574%0.744SS**  cis-134.2-171.2-20.235.2-14.4000114.1
1557S29.6Very low32.8Very low118 Ų118133.6 Ų133.683%0.82574%0.742SS**  trans-137.3-177.9145.161.70000110
1558V30.4Very low32.7Very low113 Ų113133.5 Ų133.569%0.68574%0.741SS**  trans-150.5171.7-152.3-79.70000114.5
1559Y35.2Very low32.9Very low215 Ų215133.4 Ų133.484%0.84374%0.742SS**  trans88.8125.7176.9-61-89.1000116.2
1560S35Very low32.5Very low107 Ų107134.2 Ų134.275%0.74874%0.739SS**  cis-158.8145.9-10.5-121.90000116
1561D34.4Very low32.6Very low146 Ų146134.6 Ų134.678%0.78174%0.741SS**  trans-57.6176.2167.4-147.431.7000112.6
1562P40.5Very low32.7Very low99 Ų99139.4 Ų139.464%0.64375%0.745SS**  cis-151.8171.315.846.9-26.7000122.4
1563S35.4Very low32.9Very low92 Ų92138.8 Ų138.864%0.64374%0.742SS**  trans101.697.6131.7740000122.6
1564K38.7Very low33.1Very low206 Ų206141 Ų14190%0.89674%0.743SS**  167.7143.8103.9-88.8164.9-172.1170.90112.3
1565N30.8Very low32.9Very low139 Ų139142.3 Ų142.374%0.74373%0.734SS**  180152.3-57.9176.425000108.6
1566V34.6Very low33Very low112 Ų112139.5 Ų139.568%0.67973%0.725SS**  trans74.9137.8172.3-171.60000115.8
1567N31.7Very low32.5Very low125 Ų125143.3 Ų143.367%0.66873%0.731SS**  cis-165.8134.5-30.4-99.5-18.4000106.6
1568L29.3Very low32.4Very low124 Ų124146 Ų14665%0.64973%0.731SS**  58.2102.682.3-104.9164.1000115.7I1570L1568-I1570 HydrophobicContact CD2-CD1 3.6Å; L1568-I1570 HydrophobicContact CD2-CG1 4.28Å
1569N33.7Very low32.7Very low140 Ų140144.8 Ų144.875%0.74973%0.725SS**  168.2120.8121.1-81.2-35.2000111.1
1570I30.7Very low32.3Very low129 Ų129140.7 Ų140.766%0.66272%0.718SS**  95.4138.853-77.7177.4000114L1568L1568-I1570 HydrophobicContact CD2-CD1 3.6Å; L1568-I1570 HydrophobicContact CD2-CG1 4.28Å
1571L31.2Very low32.1Very low143 Ų143141.6 Ų141.675%0.74971%0.713SS**  trans87.499165.6-78.9158.8000120.9
1572Y28.4Very low31.8Very low207 Ų207143.2 Ų143.281%0.81272%0.716SS**  29.2135.8114.2-73.6-94.9000120.1
1573D32.2Very low31.2Very low127 Ų127146.6 Ų146.668%0.67972%0.723SS**  -156.8156.291.8-156.75.2000113.4K1575D1573-K1575 IonicContact OD1-NZ 2.91Å; D1573-K1575 PolarHBondContact OD1-NZ 3.42Å; D1573-K1575 IonicContact OD2-NZ 2.84Å; D1573-K1575 PolarHBondContact OD2-NZ 3.4Å
1574R29.2Very low30.8Very low217 Ų217149.6 Ų149.682%0.81973%0.727SS**  trans-125.3115.9-171.4167.7-159.2-173.2-1747.9109.7
1575K30Very low30.3Very low143 Ų143146.4 Ų146.462%0.62272%0.715SS**  trans-162.3148.3171.6-95.1112.8-155.7157.50114.8D1573D1573-K1575 IonicContact OD1-NZ 2.91Å; D1573-K1575 PolarHBondContact OD1-NZ 3.42Å; D1573-K1575 IonicContact OD2-NZ 2.84Å; D1573-K1575 PolarHBondContact OD2-NZ 3.4Å
1576N32.9Very low30.2Very low123 Ų123146.8 Ų146.866%0.65872%0.716SS**  trans65.2122.7146.5-60.7-3.7000118.3
1577F29.2Very low29.8Very low184 Ų184148 Ų14881%0.80771%0.713SS**  cis-152.3130.718.1-99.3-63.6000114.9
1578H27.9Very low29.6Very low175 Ų175148.3 Ų148.381%0.8171%0.711SS**  trans-69.9-177.9146.6-125.7-34.5000109.1
1579P36Very low29.6Very low87 Ų87149.6 Ų149.657%0.56572%0.717SS**  cis-147.1-161.3-4.243.1-21.7000115.9
1580N26.5Very low29.3Very low129 Ų129153.6 Ų153.669%0.6972%0.722SS**  trans73.2132148.6-68.7-2.1000119.8
1581I30.3Very low29.2Very low127 Ų127150.8 Ų150.865%0.65172%0.717SS**  cis82.7107.841-61.8168.9000113.9Q1583I1581-Q1583 HydrophobicContact CG2-CB 4.15Å
1582E27.9Very low29Very low179 Ų179150.2 Ų150.284%0.83672%0.72SS**  trans-169.7110.1145.2-103.8167.4-145.800104.2
1583Q28.3Very low28.8Very low171 Ų171144.8 Ų144.880%0.79971%0.713SS**  cis78.548.826.4-149-171.424.200116.3I1581I1581-Q1583 HydrophobicContact CG2-CB 4.15Å
1584E27.1Very low28.7Very low154 Ų154144.6 Ų144.672%0.7272%0.716SS**  trans-146.4149.8156.7-82.3-135.1116.100107.8
1585H28.1Very low28.9Very low139 Ų139139.3 Ų139.364%0.64471%0.71SS**  cis-172.6176.1-24.7-123.3141.1000106.5
1586I28.8Very low28.8Very low148 Ų148140.7 Ų140.776%0.75972%0.716SS**  trans67.5137162.6-62.4145000115.1
1587H27.4Very low28.7Very low136 Ų136142.8 Ų142.863%0.6372%0.722SS**  cis173.8157.7-29.3-114.8-42.4000105.7
1588Q27.6Very low28.6Very low133 Ų133140 Ų14062%0.62171%0.711SS**  trans44.3114.5140.6-59.3158.7-14.800118.8
1589I29.2Very low28.5Very low151 Ų151136 Ų13677%0.77469%0.693SS**  -177.9115.9107.5-93.6151000106.4
1590W26.8Very low28.5Very low224 Ų224136.1 Ų136.185%0.84870%0.696SS**  69.2136.870.5-76.316.5000112.3
1591A28.1Very low29.1Very low69 Ų69133.5 Ų133.557%0.5769%0.686SS**  cis-171.6-168-3.600000110.2
1592T27.1Very low29Very low132 Ų132134.4 Ų134.481%0.8169%0.692SS**  trans76.7138156.365.20000117.7
1593S25.2Very low29.1Very low93 Ų93130.8 Ų130.865%0.6569%0.686SS**  cis-164.3136.8-10.4-115.10000114.1
1594T29.1Very low29Very low122 Ų122127.6 Ų127.675%0.74868%0.679SS**  20155127.463.60000121.1
1595P33.9Very low28.8Very low106 Ų106128.9 Ų128.969%0.68868%0.682SS**  cis-138.1171.615.123.62.2000116.9
1596K27.7Very low28.8Very low172 Ų172128.7 Ų128.775%0.74869%0.685SS**  trans32.7157.4134.3-51.1179172.6-157.10121
1597E29.4Very low28.7Very low168 Ų168126.8 Ų126.879%0.78569%0.685SS**  cis-126.8145.720.6-66.9161.8154.500108.5
1598E27.3Very low28.7Very low124 Ų124125.6 Ų125.658%0.57969%0.692SS**  46.3120.977.5-73.1-17914200110
1599E26.4Very low28.9Very low92 Ų92127.7 Ų127.743%0.4370%0.702SS.*  cis-151.5-176.835.6-63-177.1122.300115.2E973 D974 M975E973-E1599 WeakPolarHBondContact CA-OE2 3.05Å; D974-E1599 VanDerWaalsContact N-CD 3.29Å; D974-E1599 PolarHBondContact N-OE2 2.83Å; M975-E1599 WeakPolarHBondContact CA-OE1 3.37Å; M975-E1599 WeakPolarHBondContact CG-OE1 3.41Å; M975-E1599 PolarHBondContact N-OE1 3.18Å
1600S36Very low28.9Very low90 Ų90128.2 Ų128.263%0.62971%0.706SS**  trans-124.6156.6168.569.20000109.1
1601P38.8Very low29.1Very low74 Ų74125.3 Ų125.348%0.48171%0.707SS.*  -157.7155.29737.8-18000119.4E973E973-P1601 WeakPolarHBondContact O-CD 3.14Å; E973-P1601 WeakPolarHBondContact O-CG 3.37Å
1602N28.7Very low29.5Very low146 Ų146127.8 Ų127.878%0.78172%0.715SS**  trans49.6122134.1-59.8-28.4000123.9
1603S29.3Very low29.8Very low103 Ų103128 Ų12872%0.7271%0.711SS**  trans31.2139.3130.465.80000120.3
1604T26.5Very low30.3Very low104 Ų104128.3 Ų128.364%0.63871%0.713SS**  -178.2171.572.1-51.90000109.9
1605F24.1Very low30.7Very low181 Ų181124.9 Ų124.979%0.79470%0.702SS**  trans76.4145.2170.7-62.7-90.1000116.1
1606L27.2Very low31Very low135 Ų135122.3 Ų122.371%0.70769%0.689SS**  cis-177.8146.5-30.8-105.1-161.6000103
1607S27.3Very low31.6Very low107 Ų107119.4 Ų119.475%0.74869%0.686SS**  trans18.9123.8139.4-43.40000117.9
1608S27.6Very low32.2Very low112 Ų112115 Ų11578%0.78367%0.674SS**  cis-153.4177.84552.30000110.7
1609E30.8Very low33.2Very low177 Ų177111.9 Ų111.983%0.82767%0.665SS**  cis-139.3129.422.9-61.5169.9119.700112.2
1610N28.5Very low34.3Very low162 Ų162114.4 Ų114.487%0.86668%0.677SS**  trans-97.9124.2160.5-76.9-21000107.7
1611D32Very low35Very low162 Ų162116 Ų11687%0.86668%0.678SS**SBendtrans-176.7-17.4154.8-102-20.1000113.8
1612T35.5Very low36Very low121 Ų121117.4 Ų117.474%0.74268%0.682SS**SBendtrans-91.7-27.2-166.546.30000116.9
1613L34.4Very low37.6Very low138 Ų138115 Ų11572%0.72367%0.669SS**THydrogen-bonded Turntrans-78-24.3-171.7-80.787000115G1615 A1616L1613-G1615 PolarHBondContact O-N 3.46Å; L1613-G1615 VanDerWaalsContact O-N 3.15Å; L1613-A1616 WeakPolarHBondContact O-CB 3.25Å; L1613-A1616 PolarHBondContact O-N 3.06Å
1614S35.3Very low38.8Very low99 Ų99114 Ų11469%0.69266%0.655SS**Hα-helixtrans-62.8-27-173.3-171.60000113.8S1618S1614-S1618 PolarHBondContact O-OG 2.9Å
1615G37.7Very low40.2Very low50 Ų50111.5 Ų111.552%0.51564%0.642SS.*Hα-helixtrans-78.7-23.7176.900000114.2L1613 S1619L1613-G1615 PolarHBondContact O-N 3.46Å; L1613-G1615 VanDerWaalsContact O-N 3.15Å; G1615-S1619 WeakPolarHBondContact O-CB 3.29Å; G1615-S1619 PolarHBondContact O-N 3.27Å; G1615-S1619 PolarHBondContact O-OG 3.45Å
1616A40.7Very low42Very low51 Ų51106.1 Ų106.142%0.42162%0.621SS.*Hα-helixtrans-69.8-55.6-177.700000111.1L1613 S1618 S1619 E1620L1613-A1616 WeakPolarHBondContact O-CB 3.25Å; L1613-A1616 PolarHBondContact O-N 3.06Å; A1616-S1618 VanDerWaalsContact C-N 3.31Å; A1616-S1618 PolarHBondContact O-N 3.48Å; A1616-S1619 PolarHBondContact O-N 2.67Å; A1616-S1619 PolarHBondContact O-OG 3.34Å; A1616-E1620 PolarHBondContact O-N 2.97Å
1617V39.6Very low43.7Very low111 Ų111107.5 Ų107.567%0.67362%0.617SS**Hα-helixtrans-59.5-41.1-177.1-173.60000112S1619 E1620 L1621V1617-S1619 VanDerWaalsContact C-N 3.34Å; V1617-S1619 PolarHBondContact O-N 3.01Å; V1617-E1620 PolarHBondContact O-N 3.04Å; V1617-L1621 WeakPolarHBondContact O-CB 3.33Å; V1617-L1621 PolarHBondContact O-N 3.02Å
1618S43.1Very low44.6Very low77 Ų77107.9 Ų107.954%0.53861%0.61SS.*Hα-helixtrans-67.2-31.9177.8-59.50000113.3S1614 A1616 N1622S1614-S1618 PolarHBondContact O-OG 2.9Å; A1616-S1618 VanDerWaalsContact C-N 3.31Å; A1616-S1618 PolarHBondContact O-N 3.48Å; S1618-N1622 PolarHBondContact O-N 3.39Å
1619S48.5Very low46Very low57 Ų57109 Ų10940%0.39960%0.597SS.*Hα-helixtrans-82.5-33.2177.653.20000112.5G1615 A1616 V1617 N1623G1615-S1619 WeakPolarHBondContact O-CB 3.29Å; G1615-S1619 PolarHBondContact O-N 3.27Å; G1615-S1619 PolarHBondContact O-OG 3.45Å; A1616-S1619 PolarHBondContact O-N 2.67Å; A1616-S1619 PolarHBondContact O-OG 3.34Å; V1617-S1619 VanDerWaalsContact C-N 3.34Å; V1617-S1619 PolarHBondContact O-N 3.01Å; S1619-N1623 WeakPolarHBondContact O-CB 3.45Å; S1619-N1623 PolarHBondContact O-N 3.4Å; S1619-N1623 PolarHBondContact O-ND2 3.02Å
1620E48.9Very low47.2Very low145 Ų145105.8 Ų105.868%0.67858%0.582SS**Hα-helixtrans-66.8-41171-65.9-140.9146.500112.4A1616 V1617 N1622 N1623 L1624A1616-E1620 PolarHBondContact O-N 2.97Å; V1617-E1620 PolarHBondContact O-N 3.04Å; E1620-N1622 PolarHBondContact O-N 3.44Å; E1620-N1623 CarbonylContact O-C 3.44Å; E1620-N1623 PolarHBondContact O-N 3.06Å; E1620-L1624 WeakPolarHBondContact O-CB 3.48Å; E1620-L1624 PolarHBondContact O-N 3.15Å
1621L51.5Low48.3Very low124 Ų124102.5 Ų102.565%0.64956%0.562SS**Hα-helixtrans-63.9-40.2176.9-166.568.8000112V1617 L1624 S1625V1617-L1621 WeakPolarHBondContact O-CB 3.33Å; V1617-L1621 PolarHBondContact O-N 3.02Å; L1621-L1624 PolarHBondContact O-N 3.01Å; L1621-S1625 WeakPolarHBondContact O-CB 3.18Å; L1621-S1625 PolarHBondContact O-N 2.95Å
1622N59.8Low48.8Very low103 Ų10398.7 Ų98.755%0.55155%0.548SS*.Hα-helixtrans-67.4-38.3172-100.5-14000112.4S1618 E1620 L1624 S1625 N1626S1618-N1622 PolarHBondContact O-N 3.39Å; E1620-N1622 PolarHBondContact O-N 3.44Å; N1622-L1624 VanDerWaalsContact C-N 3.33Å; N1622-L1624 PolarHBondContact O-N 2.94Å; N1622-S1625 PolarHBondContact O-N 3.44Å; N1622-N1626 VanDerWaalsContact O-CB 3.31Å; N1622-N1626 WeakPolarHBondContact O-CB 3.25Å; N1622-N1626 VanDerWaalsContact O-CG 3.28Å; N1622-N1626 PolarHBondContact O-N 2.9Å; N1622-N1626 PolarHBondContact O-ND2 3.27Å
1623N61.9Low49.8Very low95 Ų9596.7 Ų96.751%0.50854%0.535SS..Hα-helixtrans-64.4-36173.9-77.3-26.7000112.3S1619 E1620 R1627S1619-N1623 WeakPolarHBondContact O-CB 3.45Å; S1619-N1623 PolarHBondContact O-N 3.4Å; S1619-N1623 PolarHBondContact O-ND2 3.02Å; E1620-N1623 CarbonylContact O-C 3.44Å; E1620-N1623 PolarHBondContact O-N 3.06Å; N1623-R1627 WeakPolarHBondContact O-CB 3.38Å; N1623-R1627 VanDerWaalsContact O-CG 3.28Å; N1623-R1627 WeakPolarHBondContact O-CG 3.31Å; N1623-R1627 PolarHBondContact O-N 3.48Å
1624L53.3Low50.4Low83 Ų8397.6 Ų97.644%0.43553%0.529SS..Hα-helixtrans-70.6-42.3176.1-169.165.6000111.7E1620 L1621 N1622 R1627 L1628E1620-L1624 WeakPolarHBondContact O-CB 3.48Å; E1620-L1624 PolarHBondContact O-N 3.15Å; L1621-L1624 PolarHBondContact O-N 3.01Å; N1622-L1624 VanDerWaalsContact C-N 3.33Å; N1622-L1624 PolarHBondContact O-N 2.94Å; L1624-R1627 PolarHBondContact O-N 3.44Å; L1624-L1628 PolarHBondContact O-N 3.48Å
1625S56.6Low50.9Low52 Ų5299.1 Ų99.136%0.36453%0.529SS..Hα-helixtrans-61.2-42.5172.8-175.20000112L1621 N1622 R1629L1621-S1625 WeakPolarHBondContact O-CB 3.18Å; L1621-S1625 PolarHBondContact O-N 2.95Å; N1622-S1625 PolarHBondContact O-N 3.44Å; S1625-R1629 WeakPolarHBondContact O-CB 3.45Å; S1625-R1629 PolarHBondContact O-N 2.92Å; S1625-R1629 VanDerWaalsContact O-N 3.1Å
1626N62.6Low51.1Low67 Ų6799.7 Ų99.736%0.35853%0.528SS..Hα-helixtrans-64.2-44.1173.2-76.5-26.8000112.2N1622 L1628 R1629 E1630N1622-N1626 VanDerWaalsContact O-CB 3.31Å; N1622-N1626 WeakPolarHBondContact O-CB 3.25Å; N1622-N1626 VanDerWaalsContact O-CG 3.28Å; N1622-N1626 PolarHBondContact O-N 2.9Å; N1622-N1626 PolarHBondContact O-ND2 3.27Å; N1626-L1628 PolarHBondContact O-N 2.86Å; N1626-R1629 CarbonylContact O-C 3.54Å; N1626-R1629 PolarHBondContact O-N 3.06Å; N1626-R1629 PolarHBondContact OD1-NH2 3.07Å; N1626-E1630 PolarHBondContact O-N 2.71Å
1627R61.3Low51.4Low164 Ų164100.4 Ų100.462%0.61953%0.527SS*.Hα-helixtrans-61.2-43.5176.6-81.2170.258-165.2-4.7113N1623 L1624 R1629 E1630 E1631N1623-R1627 WeakPolarHBondContact O-CB 3.38Å; N1623-R1627 VanDerWaalsContact O-CG 3.28Å; N1623-R1627 WeakPolarHBondContact O-CG 3.31Å; N1623-R1627 PolarHBondContact O-N 3.48Å; L1624-R1627 PolarHBondContact O-N 3.44Å; R1627-R1629 VanDerWaalsContact C-N 3.33Å; R1627-R1629 PolarHBondContact O-N 3.04Å; R1627-E1630 PolarHBondContact O-N 2.76Å; R1627-E1631 PolarHBondContact O-N 3.46Å
1628L46.6Very low51.4Low115 Ų11598 Ų9860%0.60252%0.519SS*.Hα-helixtrans-64-39.2176.4-78.1164.4000111.7L1624 N1626 S1632L1624-L1628 PolarHBondContact O-N 3.48Å; N1626-L1628 PolarHBondContact O-N 2.86Å; L1628-S1632 WeakPolarHBondContact O-CB 3.43Å; L1628-S1632 PolarHBondContact O-N 3.31Å; L1628-S1632 PolarHBondContact O-OG 2.79Å
1629R57.9Low51.3Low137 Ų13798.5 Ų98.552%0.51752%0.519SS..Hα-helixtrans-68.4-38174.4177.3160.351-135.3-1.9112.6S1625 N1626 R1627 V1633S1625-R1629 WeakPolarHBondContact O-CB 3.45Å; S1625-R1629 PolarHBondContact O-N 2.92Å; S1625-R1629 VanDerWaalsContact O-N 3.1Å; N1626-R1629 CarbonylContact O-C 3.54Å; N1626-R1629 PolarHBondContact O-N 3.06Å; N1626-R1629 PolarHBondContact OD1-NH2 3.07Å; R1627-R1629 VanDerWaalsContact C-N 3.33Å; R1627-R1629 PolarHBondContact O-N 3.04Å; R1629-V1633 WeakPolarHBondContact O-CG2 3.31Å; R1629-V1633 PolarHBondContact O-N 3.28Å
1630E56Low50.7Low109 Ų10998.5 Ų98.551%0.50952%0.522SS..Hα-helixtrans-66.9-41.9172.6-79.7-171.2124.500112.2N1626 R1627 V1633 R1634N1626-E1630 PolarHBondContact O-N 2.71Å; R1627-E1630 PolarHBondContact O-N 2.76Å; E1630-V1633 PolarHBondContact O-N 3.46Å; E1630-R1634 WeakPolarHBondContact O-CB 3.35Å; E1630-R1634 VanDerWaalsContact O-CG 3.26Å; E1630-R1634 WeakPolarHBondContact O-CG 3.48Å; E1630-R1634 PolarHBondContact O-N 3.48Å
1631E51.6Low50.2Low93 Ų9396.7 Ų96.744%0.43552%0.516SS..Hα-helixtrans-64.6-39.9174.1-74.3-52.1141.700112.1R1627 V1633 R1634 L1635R1627-E1631 PolarHBondContact O-N 3.46Å; E1631-V1633 VanDerWaalsContact C-N 3.32Å; E1631-V1633 PolarHBondContact O-N 2.75Å; E1631-R1634 PolarHBondContact O-N 3Å; E1631-R1634 IonicContact OE1-CZ 2.73Å; E1631-R1634 IonicContact OE1-NE 2.68Å; E1631-R1634 IonicContact OE1-NH1 3.39Å; E1631-R1634 PolarHBondContact OE1-NH1 2.84Å; E1631-R1634 IonicContact OE2-CZ 3.46Å; E1631-R1634 IonicContact OE2-NE 3.39Å; E1631-R1634 PolarHBondContact OE2-NE 2.83Å; E1631-R1634 IonicContact OE2-NH1 2.6Å; E1631-R1634 IonicContact OE2-NH2 3.84Å; E1631-L1635 WeakPolarHBondContact O-CB 3.43Å; E1631-L1635 PolarHBondContact O-N 3.26Å
1632S42.1Very low49.4Very low82 Ų8294.6 Ų94.657%0.57352%0.517SS*.Hα-helixtrans-58.5-43.8173.9-56.40000111.8L1628 A1636L1628-S1632 WeakPolarHBondContact O-CB 3.43Å; L1628-S1632 PolarHBondContact O-N 3.31Å; L1628-S1632 PolarHBondContact O-OG 2.79Å; S1632-A1636 PolarHBondContact O-N 3.33Å
1633V56.5Low48.4Very low78 Ų7894.8 Ų94.847%0.47352%0.522SS..Hα-helixtrans-70.3-36176.1171.60000111.7R1629 E1630 E1631 T1637R1629-V1633 WeakPolarHBondContact O-CG2 3.31Å; R1629-V1633 PolarHBondContact O-N 3.28Å; E1630-V1633 PolarHBondContact O-N 3.46Å; E1631-V1633 VanDerWaalsContact C-N 3.32Å; E1631-V1633 PolarHBondContact O-N 2.75Å; V1633-T1637 VanDerWaalsContact O-CB 3.25Å; V1633-T1637 WeakPolarHBondContact O-CB 3.43Å; V1633-T1637 PolarHBondContact O-N 3.45Å; V1633-T1637 PolarHBondContact O-OG1 2.86Å
1634R47.8Very low47.1Very low158 Ų15894 Ų9460%0.59653%0.528SS*.Hα-helixtrans-64.8-39.2174.8-7817458.3177.3-2.7112E1630 E1631 T1637 A1638E1630-R1634 WeakPolarHBondContact O-CB 3.35Å; E1630-R1634 VanDerWaalsContact O-CG 3.26Å; E1630-R1634 WeakPolarHBondContact O-CG 3.48Å; E1630-R1634 PolarHBondContact O-N 3.48Å; E1631-R1634 PolarHBondContact O-N 3Å; E1631-R1634 IonicContact OE1-CZ 2.73Å; E1631-R1634 IonicContact OE1-NE 2.68Å; E1631-R1634 IonicContact OE1-NH1 3.39Å; E1631-R1634 PolarHBondContact OE1-NH1 2.84Å; E1631-R1634 IonicContact OE2-CZ 3.46Å; E1631-R1634 IonicContact OE2-NE 3.39Å; E1631-R1634 PolarHBondContact OE2-NE 2.83Å; E1631-R1634 IonicContact OE2-NH1 2.6Å; E1631-R1634 IonicContact OE2-NH2 3.84Å; R1634-T1637 PolarHBondContact O-N 2.92Å; R1634-A1638 WeakPolarHBondContact O-CB 3.35Å; R1634-A1638 PolarHBondContact O-N 3.47Å
1635L45.6Very low46.1Very low131 Ų131100.2 Ų100.269%0.68655%0.546SS*.Hα-helixtrans-65.8-46.8177.5-154.972.8000110.9E1631 T1637 A1638 T1639E1631-L1635 WeakPolarHBondContact O-CB 3.43Å; E1631-L1635 PolarHBondContact O-N 3.26Å; L1635-T1637 VanDerWaalsContact C-N 3.34Å; L1635-T1637 PolarHBondContact O-N 3.34Å; L1635-A1638 PolarHBondContact O-N 2.88Å; L1635-T1639 PolarHBondContact O-N 2.95Å; L1635-T1639 VanDerWaalsContact O-N 3.12Å; L1635-T1639 PolarHBondContact O-OG1 2.78Å
1636A40.8Very low44.9Very low61 Ų61106.8 Ų106.850%0.50457%0.571SS.*Hα-helixtrans-60.4-41.4172.200000112.3S1632 T1639 A1640S1632-A1636 PolarHBondContact O-N 3.33Å; A1636-T1639 PolarHBondContact O-N 3.32Å; A1636-A1640 PolarHBondContact O-N 3.46Å
1637T48.2Very low43.2Very low67 Ų67107.3 Ų107.341%0.41158%0.58SS.*Hα-helixtrans-70.3-34.5179.1-55.60000112.4V1633 R1634 L1635 T1639 A1640 I1641V1633-T1637 VanDerWaalsContact O-CB 3.25Å; V1633-T1637 WeakPolarHBondContact O-CB 3.43Å; V1633-T1637 PolarHBondContact O-N 3.45Å; V1633-T1637 PolarHBondContact O-OG1 2.86Å; R1634-T1637 PolarHBondContact O-N 2.92Å; L1635-T1637 VanDerWaalsContact C-N 3.34Å; L1635-T1637 PolarHBondContact O-N 3.34Å; T1637-T1639 VanDerWaalsContact C-N 3.35Å; T1637-A1640 PolarHBondContact O-N 2.88Å; T1637-I1641 HydrophobicContact CG2-CD1 3.82Å; T1637-I1641 HydrophobicContact CG2-CG1 4.34Å; T1637-I1641 WeakPolarHBondContact O-CB 3.46Å; T1637-I1641 VanDerWaalsContact O-CG1 3.24Å; T1637-I1641 WeakPolarHBondContact O-CG1 3.14Å; T1637-I1641 PolarHBondContact O-N 3.36Å
1638A38Very low41.7Very low59 Ų59107.5 Ų107.549%0.48859%0.591SS.*Hα-helixtrans-63.8-42.3173.500000111.2R1634 L1635 I1641 A1642R1634-A1638 WeakPolarHBondContact O-CB 3.35Å; R1634-A1638 PolarHBondContact O-N 3.47Å; L1635-A1638 PolarHBondContact O-N 2.88Å; A1638-I1641 PolarHBondContact O-N 3.07Å; A1638-A1642 PolarHBondContact O-N 3.21Å
1639T40.8Very low40.9Very low89 Ų89108.2 Ų108.255%0.54660%0.604SS.*Hα-helixtrans-63.4-44.3174.3-48.90000111.5L1635 A1636 T1637 I1641 A1642 T1643L1635-T1639 PolarHBondContact O-N 2.95Å; L1635-T1639 VanDerWaalsContact O-N 3.12Å; L1635-T1639 PolarHBondContact O-OG1 2.78Å; A1636-T1639 PolarHBondContact O-N 3.32Å; T1637-T1639 VanDerWaalsContact C-N 3.35Å; T1639-I1641 PolarHBondContact O-N 3.36Å; T1639-A1642 WeakPolarHBondContact O-CB 3.26Å; T1639-A1642 PolarHBondContact O-N 2.79Å; T1639-T1643 PolarHBondContact O-N 2.97Å; T1639-T1643 PolarHBondContact O-OG1 3.44Å
1640A36.9Very low39.5Very low56 Ų56109.7 Ų109.746%0.46362%0.623SS.*Hα-helixtrans-63-39.5175.200000112.8A1636 T1637 A1642 T1643 A1644A1636-A1640 PolarHBondContact O-N 3.46Å; T1637-A1640 PolarHBondContact O-N 2.88Å; A1640-A1642 VanDerWaalsContact C-N 3.33Å; A1640-A1642 PolarHBondContact O-N 2.78Å; A1640-T1643 PolarHBondContact O-N 3.36Å; A1640-A1644 VanDerWaalsContact O-CB 3.26Å; A1640-A1644 WeakPolarHBondContact O-CB 3.28Å; A1640-A1644 PolarHBondContact O-N 3.21Å
1641I38.5Very low38.4Very low107 Ų107115.8 Ų115.855%0.54964%0.641SS.*Hα-helixtrans-70-27.7177.9-72.8170.4000112.4T1637 A1638 T1639 T1643T1637-I1641 HydrophobicContact CG2-CD1 3.82Å; T1637-I1641 HydrophobicContact CG2-CG1 4.34Å; T1637-I1641 WeakPolarHBondContact O-CB 3.46Å; T1637-I1641 VanDerWaalsContact O-CG1 3.24Å; T1637-I1641 WeakPolarHBondContact O-CG1 3.14Å; T1637-I1641 PolarHBondContact O-N 3.36Å; A1638-I1641 PolarHBondContact O-N 3.07Å; T1639-I1641 PolarHBondContact O-N 3.36Å; I1641-T1643 VanDerWaalsContact C-N 3.34Å
1642A35Very low37.4Very low80 Ų80117.5 Ų117.566%0.66166%0.66SS**Hα-helixtrans-66.7-36.9170.700000111.9A1638 T1639 A1640A1638-A1642 PolarHBondContact O-N 3.21Å; T1639-A1642 WeakPolarHBondContact O-CB 3.26Å; T1639-A1642 PolarHBondContact O-N 2.79Å; A1640-A1642 VanDerWaalsContact C-N 3.33Å; A1640-A1642 PolarHBondContact O-N 2.78Å
1643T37.8Very low36.9Very low107 Ų107117 Ų11766%0.65667%0.669SS**Hα-helixtrans-87.3-31.2-174.7-39.10000113T1639 A1640 I1641 R1645T1639-T1643 PolarHBondContact O-N 2.97Å; T1639-T1643 PolarHBondContact O-OG1 3.44Å; A1640-T1643 PolarHBondContact O-N 3.36Å; I1641-T1643 VanDerWaalsContact C-N 3.34Å; T1643-R1645 PolarHBondContact O-N 3.33Å
1644A34.4Very low35.6Very low78 Ų78118.9 Ų118.965%0.64569%0.685SS**THydrogen-bonded Turntrans-79.446-173.900000115A1640A1640-A1644 VanDerWaalsContact O-CB 3.26Å; A1640-A1644 WeakPolarHBondContact O-CB 3.28Å; A1640-A1644 PolarHBondContact O-N 3.21Å
1645R33.2Very low34.8Very low215 Ų215118.4 Ų118.481%0.81169%0.693SS**THydrogen-bonded Turntrans-126.39.1-172.7-98.1-175.3168.1-168.8-2.4117.1T1643T1643-R1645 PolarHBondContact O-N 3.33Å
1646Q31.1Very low34.2Very low190 Ų190119.4 Ų119.489%0.88870%0.698SS**SBendtrans-12912.2-170.2-94.3162.6-44.500117.3
1647S27.1Very low33.8Very low78 Ų78122.5 Ų122.555%0.54571%0.705SS.*  trans-120.673.7-175.950.60000115.4
1648I30.7Very low33Very low167 Ų167126.7 Ų126.786%0.85672%0.724SS**  trans-142.491.5160.7-51.8179.4000110.8
1649C28.2Very low32.8Very low130 Ų130133 Ų13388%0.87874%0.741SS**  trans-15215.4162.4-110.50000116.4R1651C1649-R1651 PolarHBondContact O-N 2.73Å
1650D29.8Very low32.4Very low168 Ų168134.5 Ų134.590%0.89875%0.75SS**  trans-76.3104.5176.8-76.8-53.7000113.5
1651R32.6Very low32.4Very low237 Ų237138.4 Ų138.489%0.89476%0.763SS**  trans-157120.4148.3-142.8171.1-171.6169.64.6114C1649C1649-R1651 PolarHBondContact O-N 2.73Å
1652P31.1Very low32.3Very low129 Ų129140.1 Ų140.184%0.83877%0.773SS**  trans-69.9138.717428.9-34.2000111.4
1653G31.3Very low32.3Very low73 Ų73143.7 Ų143.775%0.75378%0.781SS**  trans-83.6138.9-177.900000113.6
1654S29.7Very low32.3Very low117 Ų117147.2 Ų147.282%0.81879%0.79SS**  trans-94111.7170.649.70000111.2L1656S1654-L1656 PolarHBondContact O-N 2.69Å
1655I31.1Very low31.9Very low148 Ų148153 Ų15376%0.75980%0.804SS**  trans-81.3105.4-177.2-55.6177.7000110.1I1657I1655-I1657 HydrophobicContact CG2-CD1 4.47Å; I1655-I1657 HydrophobicContact CG2-CG1 3.82Å
1656L31.4Very low32.1Very low152 Ų152148.7 Ų148.780%0.79680%0.802SS**  trans-94.293.5174-108172.3000111.2S1654 N1658S1654-L1656 PolarHBondContact O-N 2.69Å; L1656-N1658 PolarHBondContact O-N 3.34Å; L1656-N1658 VanDerWaalsContact O-N 3.09Å
1657I32.1Very low31.9Very low126 Ų126146.7 Ų146.765%0.64680%0.803SS**  trans-76.793.5179.4-51.7-180000110.7I1655 K1659I1655-I1657 HydrophobicContact CG2-CD1 4.47Å; I1655-I1657 HydrophobicContact CG2-CG1 3.82Å; I1657-K1659 PolarHBondContact O-N 2.99Å; I1657-K1659 VanDerWaalsContact O-N 3.14Å
1658N33.4Very low32.1Very low154 Ų154149.7 Ų149.782%0.82481%0.811SS**  trans-76.795.1167.8-81.6-30.1000110.6L1656L1656-N1658 PolarHBondContact O-N 3.34Å; L1656-N1658 VanDerWaalsContact O-N 3.09Å
1659K33.1Very low32.1Very low193 Ų193149.4 Ų149.484%0.83980%0.804SS**  trans-89.5143.9178.3-146.6170.4-170.6171.40111.1I1657I1657-K1659 PolarHBondContact O-N 2.99Å; I1657-K1659 VanDerWaalsContact O-N 3.14Å
1660T31.8Very low32.3Very low119 Ų119148.5 Ų148.573%0.7379%0.794SS**  trans-89.6149.4-176.743.60000113.6
1661N38.4Very low32.3Very low139 Ų139145.3 Ų145.374%0.74377%0.774SS**  trans73.694.2162.4-54.9-7.2000119
1662D34.8Very low32.4Very low142 Ų142139 Ų13976%0.75977%0.765SS**  58.6116.7128.9-54.5-6.3000122.8
1663N34.9Very low32.8Very low155 Ų155139.3 Ų139.383%0.82976%0.76SS**  trans114.6140.9145.8-57.6-66.1000118.5
1664E37.8Very low33.2Very low181 Ų181142.8 Ų142.885%0.84676%0.756SS**  trans64.669.5166.1-63.5-172.5-179.100119.3T1666E1664-T1666 PolarHBondContact O-N 2.73Å
1665E27.7Very low33.6Very low199 Ų199140.8 Ų140.893%0.9374%0.742SS**  20.386.3123.8-167.3175.8-165.600117.9
1666T35.7Very low34Very low126 Ų126136.7 Ų136.777%0.77373%0.729SS**  trans-147.1121.1144.322.30000109.9E1664 I1668E1664-T1666 PolarHBondContact O-N 2.73Å; T1666-I1668 PolarHBondContact O-N 3.37Å
1667T27.3Very low34.7Very low147 Ų147133.1 Ų133.190%0.90272%0.716SS**  trans-77.1103.1174.542.30000110.8
1668I32.1Very low35.2Very low142 Ų142134.2 Ų134.273%0.72871%0.712SS**  trans-102.5103.2156.4-53.6-178.1000107.1T1666 V1670T1666-I1668 PolarHBondContact O-N 3.37Å; I1668-V1670 HydrophobicContact CG2-CG2 3.76Å; I1668-V1670 PolarHBondContact O-N 3.37Å
1669K29.2Very low35.8Very low161 Ų161132.3 Ų132.370%0.770%0.7SS**  trans-70.4112.5159.4-84.1-175.1158.8-150.20107.3E1671K1669-E1671 IonicContact NZ-OE1 3.93Å; K1669-E1671 PolarHBondContact NZ-OE1 3.22Å
1670V33.1Very low36.7Very low111 Ų111128.1 Ų128.167%0.67369%0.686SS**  trans-99.791.8160-173.20000106.5I1668 C1672I1668-V1670 HydrophobicContact CG2-CG2 3.76Å; I1668-V1670 PolarHBondContact O-N 3.37Å; V1670-C1672 PolarHBondContact O-N 2.82Å
1671E30.9Very low37.8Very low100 Ų100128.6 Ų128.647%0.46768%0.68SS.*  trans-76.590.8173.9-78.6173.5162.400108.4K1669 N1673 E1674K1669-E1671 IonicContact NZ-OE1 3.93Å; K1669-E1671 PolarHBondContact NZ-OE1 3.22Å; E1671-N1673 PolarHBondContact O-N 2.89Å; E1671-E1674 PolarHBondContact O-N 2.71Å; E1671-E1674 VanDerWaalsContact O-N 3.1Å
1672C34.3Very low38.1Very low105 Ų105125.6 Ų125.671%0.70966%0.663SS**THydrogen-bonded Turntrans-63.512.4176.6-620000114.2V1670V1670-C1672 PolarHBondContact O-N 2.82Å
1673N38.4Very low39.1Very low136 Ų136128.7 Ų128.773%0.72766%0.664SS**THydrogen-bonded Turntrans-86.1-11.6169.6-65.6-11.1000112.4E1671 P1677E1671-N1673 PolarHBondContact O-N 2.89Å; N1673-P1677 WeakPolarHBondContact O-CD 3.26Å
1674E40.9Very low40.3Very low145 Ų145126 Ų12668%0.67865%0.65SS**SBendtrans-76.7-18-178.1-66.7-169.6141.400114.2E1671 P1677E1671-E1674 PolarHBondContact O-N 2.71Å; E1671-E1674 VanDerWaalsContact O-N 3.1Å; E1674-P1677 WeakPolarHBondContact O-CD 3.26Å
1675C37.5Very low40.9Very low76 Ų76119.6 Ų119.651%0.51463%0.625SS.*Hα-helixtrans-76-32.2179.5-70.50000113.9W1678 I1679C1675-W1678 PolarHBondContact O-N 3.35Å; C1675-I1679 WeakPolarHBondContact O-CG1 3.45Å; C1675-I1679 PolarHBondContact O-N 2.77Å
1676A40.2Very low41.8Very low61 Ų61118 Ų11850%0.50461%0.612SS.*Hα-helixtrans-66.3-42.918000000113.3W1678 I1679 I1680A1676-W1678 VanDerWaalsContact C-N 3.3Å; A1676-W1678 PolarHBondContact O-N 2.92Å; A1676-I1679 PolarHBondContact O-N 3.26Å; A1676-I1680 WeakPolarHBondContact O-CG1 3.37Å; A1676-I1680 PolarHBondContact O-N 3.5Å
1677P44.8Very low43Very low78 Ų78113.9 Ų113.951%0.50659%0.594SS.*Hα-helixtrans-55.1-42.8167.1-27.335000113.1N1673 E1674 I1680 E1681N1673-P1677 WeakPolarHBondContact O-CD 3.26Å; E1674-P1677 WeakPolarHBondContact O-CD 3.26Å; P1677-I1680 PolarHBondContact O-N 2.94Å; P1677-E1681 WeakPolarHBondContact O-CB 3.37Å; P1677-E1681 PolarHBondContact O-N 2.8Å
1678W42.6Very low44.3Very low149 Ų149111.9 Ų111.956%0.56458%0.578SS**Hα-helixtrans-69-35.7-177.8-167.831.3000112.7C1675 A1676 I1680 E1681 I1682C1675-W1678 PolarHBondContact O-N 3.35Å; A1676-W1678 VanDerWaalsContact C-N 3.3Å; A1676-W1678 PolarHBondContact O-N 2.92Å; W1678-I1680 VanDerWaalsContact C-N 3.34Å; W1678-I1680 PolarHBondContact O-N 3.27Å; W1678-E1681 CarbonylContact O-C 3.56Å; W1678-E1681 PolarHBondContact O-N 3.48Å; W1678-I1682 HydrophobicContact CD2-CD1 4.16Å; W1678-I1682 HydrophobicContact CG-CD1 4.24Å; W1678-I1682 WeakPolarHBondContact O-CB 3.45Å; W1678-I1682 VanDerWaalsContact O-CG1 3.24Å; W1678-I1682 WeakPolarHBondContact O-CG1 3.45Å; W1678-I1682 PolarHBondContact O-N 2.79Å
1679I45.7Very low44.8Very low113 Ų113108.2 Ų108.258%0.57956%0.56SS**Hα-helixtrans-64.1-39172.6-68.9167.5000111.4C1675 A1676 I1682 R1683C1675-I1679 WeakPolarHBondContact O-CG1 3.45Å; C1675-I1679 PolarHBondContact O-N 2.77Å; A1676-I1679 PolarHBondContact O-N 3.26Å; I1679-I1682 PolarHBondContact O-N 2.87Å; I1679-R1683 WeakPolarHBondContact O-CB 3.3Å; I1679-R1683 PolarHBondContact O-N 3.22Å
1680I53.2Low46.3Very low106 Ų106107.4 Ų107.454%0.54456%0.556SS.*Hα-helixtrans-66.9-40.6174-65.8168.8000110.5A1676 P1677 W1678 R1683 N1684A1676-I1680 WeakPolarHBondContact O-CG1 3.37Å; A1676-I1680 PolarHBondContact O-N 3.5Å; P1677-I1680 PolarHBondContact O-N 2.94Å; W1678-I1680 VanDerWaalsContact C-N 3.34Å; W1678-I1680 PolarHBondContact O-N 3.27Å; I1680-R1683 PolarHBondContact O-N 3.11Å; I1680-N1684 WeakPolarHBondContact O-CB 3.33Å; I1680-N1684 PolarHBondContact O-N 2.76Å; I1680-N1684 PolarHBondContact O-ND2 3.3Å
1681E54.7Low47.5Very low128 Ų128108.3 Ų108.360%0.59855%0.553SS**Hα-helixtrans-65.5-36175.5-167.5171.5-155.500112.5P1677 W1678 S1685P1677-E1681 WeakPolarHBondContact O-CB 3.37Å; P1677-E1681 PolarHBondContact O-N 2.8Å; W1678-E1681 CarbonylContact O-C 3.56Å; W1678-E1681 PolarHBondContact O-N 3.48Å; E1681-S1685 VanDerWaalsContact O-CB 3.22Å; E1681-S1685 WeakPolarHBondContact O-CB 3.2Å; E1681-S1685 PolarHBondContact O-N 3.33Å; E1681-S1685 PolarHBondContact O-OG 2.9Å
1682I43.8Very low48.2Very low77 Ų77106 Ų10640%0.39555%0.55SS.*Hα-helixtrans-65.1-47.3170.8-71163000110.5W1678 I1679 N1684 S1685 Y1686W1678-I1682 HydrophobicContact CD2-CD1 4.16Å; W1678-I1682 HydrophobicContact CG-CD1 4.24Å; W1678-I1682 WeakPolarHBondContact O-CB 3.45Å; W1678-I1682 VanDerWaalsContact O-CG1 3.24Å; W1678-I1682 WeakPolarHBondContact O-CG1 3.45Å; W1678-I1682 PolarHBondContact O-N 2.79Å; I1679-I1682 PolarHBondContact O-N 2.87Å; I1682-N1684 PolarHBondContact O-N 3.39Å; I1682-S1685 WeakPolarHBondContact CA-OG 3.36Å; I1682-S1685 PolarHBondContact O-N 2.77Å; I1682-S1685 PolarHBondContact O-OG 3.43Å; I1682-Y1686 WeakPolarHBondContact O-CB 3.42Å; I1682-Y1686 PolarHBondContact O-N 2.76Å
1683R57.4Low48.9Very low206 Ų206105 Ų10578%0.77754%0.541SS*.Hα-helixtrans-63.1-42.3179.2-158.3177.8-159.5173.57.9111.9I1679 I1680 Y1686 G1687I1679-R1683 WeakPolarHBondContact O-CB 3.3Å; I1679-R1683 PolarHBondContact O-N 3.22Å; I1680-R1683 PolarHBondContact O-N 3.11Å; R1683-Y1686 PolarHBondContact O-N 3.45Å; R1683-G1687 PolarHBondContact O-N 3.14Å; R1683-G1687 VanDerWaalsContact O-N 3.14Å
1684N59.2Low49.9Very low99 Ų99102.7 Ų102.753%0.52953%0.529SS..Hα-helixtrans-67.2-46176.7-69.4-10.3000111.3I1680 I1682 Y1686 G1687 D1688I1680-N1684 WeakPolarHBondContact O-CB 3.33Å; I1680-N1684 PolarHBondContact O-N 2.76Å; I1680-N1684 PolarHBondContact O-ND2 3.3Å; I1682-N1684 PolarHBondContact O-N 3.39Å; N1684-Y1686 VanDerWaalsContact C-N 3.27Å; N1684-Y1686 PolarHBondContact O-N 3.41Å; N1684-G1687 CarbonylContact O-C 3.54Å; N1684-G1687 WeakPolarHBondContact O-CA 3.36Å; N1684-G1687 PolarHBondContact O-N 3.42Å; N1684-D1688 PolarHBondContact O-N 3.48Å
1685S51.4Low50.5Low47 Ų4799.5 Ų99.533%0.32951%0.514SS..Hα-helixtrans-68.6-23.117858.70000113.7E1681 I1682 L1689E1681-S1685 VanDerWaalsContact O-CB 3.22Å; E1681-S1685 WeakPolarHBondContact O-CB 3.2Å; E1681-S1685 PolarHBondContact O-N 3.33Å; E1681-S1685 PolarHBondContact O-OG 2.9Å; I1682-S1685 WeakPolarHBondContact CA-OG 3.36Å; I1682-S1685 PolarHBondContact O-N 2.77Å; I1682-S1685 PolarHBondContact O-OG 3.43Å; S1685-L1689 WeakPolarHBondContact O-CB 3.36Å; S1685-L1689 PolarHBondContact O-N 3.03Å
1686Y45.8Very low50.9Low165 Ų16599.6 Ų99.665%0.64751%0.512SS*.Hα-helixtrans-72.2-33.6167.7-148.4-84.5000112.1I1682 R1683 N1684 K1690I1682-Y1686 WeakPolarHBondContact O-CB 3.42Å; I1682-Y1686 PolarHBondContact O-N 2.76Å; R1683-Y1686 PolarHBondContact O-N 3.45Å; N1684-Y1686 VanDerWaalsContact C-N 3.27Å; N1684-Y1686 PolarHBondContact O-N 3.41Å; Y1686-K1690 WeakPolarHBondContact O-CB 3.49Å; Y1686-K1690 PolarHBondContact O-N 2.97Å
1687G60.4Low51.5Low39 Ų3998.7 Ų98.740%0.40250%0.504SS..Hα-helixtrans-62.4-55.3168.100000112R1683 N1684 L1689 K1690 E1691R1683-G1687 PolarHBondContact O-N 3.14Å; R1683-G1687 VanDerWaalsContact O-N 3.14Å; N1684-G1687 CarbonylContact O-C 3.54Å; N1684-G1687 WeakPolarHBondContact O-CA 3.36Å; N1684-G1687 PolarHBondContact O-N 3.42Å; G1687-L1689 PolarHBondContact O-N 3.49Å; G1687-K1690 PolarHBondContact O-N 3.32Å; G1687-E1691 PolarHBondContact O-N 2.89Å
1688D53.9Low52.3Low106 Ų106100 Ų10057%0.56750%0.502SS*.Hα-helixtrans-54-40.3174.1-68.3-10.3000111.5N1684 A1692N1684-D1688 PolarHBondContact O-N 3.48Å; D1688-A1692 WeakPolarHBondContact O-CB 3.37Å; D1688-A1692 PolarHBondContact O-N 2.79Å
1689L43.9Very low52.5Low65 Ų6597.1 Ų97.134%0.3450%0.497SS..Hα-helixtrans-68.5-40.6177.9-177.762.8000111.7S1685 G1687 A1692 V1693S1685-L1689 WeakPolarHBondContact O-CB 3.36Å; S1685-L1689 PolarHBondContact O-N 3.03Å; G1687-L1689 PolarHBondContact O-N 3.49Å; L1689-A1692 PolarHBondContact O-N 3.44Å; L1689-V1693 HydrophobicContact CD1-CG2 4.16Å; L1689-V1693 HydrophobicContact CG-CG2 4.42Å; L1689-V1693 VanDerWaalsContact O-CB 3.3Å; L1689-V1693 WeakPolarHBondContact O-CB 3.13Å; L1689-V1693 VanDerWaalsContact O-CG2 3.22Å; L1689-V1693 WeakPolarHBondContact O-CG2 3.49Å; L1689-V1693 PolarHBondContact O-N 2.81Å
1690K59.4Low52.5Low144 Ų14497.6 Ų97.663%0.62650%0.499SS*.Hα-helixtrans-65-41175.5-173.1175.9179.9179.10111.4Y1686 G1687 N1694Y1686-K1690 WeakPolarHBondContact O-CB 3.49Å; Y1686-K1690 PolarHBondContact O-N 2.97Å; G1687-K1690 PolarHBondContact O-N 3.32Å; K1690-N1694 WeakPolarHBondContact O-CB 3.46Å; K1690-N1694 PolarHBondContact O-N 2.64Å
1691E59.3Low52.4Low130 Ų130100.3 Ų100.361%0.60751%0.509SS*.Hα-helixtrans-68-43.7174.3-171.3169-16800111.7G1687 V1693 N1694 E1695G1687-E1691 PolarHBondContact O-N 2.89Å; E1691-V1693 PolarHBondContact O-N 2.82Å; E1691-N1694 PolarHBondContact O-N 3.25Å; E1691-E1695 PolarHBondContact O-N 3.05Å
1692A45.4Very low52.1Low50 Ų50100 Ų10041%0.41351%0.512SS..Hα-helixtrans-64.8-35.2176.200000113D1688 L1689 V1696D1688-A1692 WeakPolarHBondContact O-CB 3.37Å; D1688-A1692 PolarHBondContact O-N 2.79Å; L1689-A1692 PolarHBondContact O-N 3.44Å; A1692-V1696 WeakPolarHBondContact O-CB 3.45Å; A1692-V1696 VanDerWaalsContact O-CG2 3.24Å; A1692-V1696 WeakPolarHBondContact O-CG2 3.44Å; A1692-V1696 PolarHBondContact O-N 2.68Å
1693V48.9Very low51.7Low84 Ų84100 Ų10051%0.50951%0.513SS..Hα-helixtrans-69.7-39.5172.9166.80000110.7L1689 E1691 V1696 A1697L1689-V1693 HydrophobicContact CD1-CG2 4.16Å; L1689-V1693 HydrophobicContact CG-CG2 4.42Å; L1689-V1693 VanDerWaalsContact O-CB 3.3Å; L1689-V1693 WeakPolarHBondContact O-CB 3.13Å; L1689-V1693 VanDerWaalsContact O-CG2 3.22Å; L1689-V1693 WeakPolarHBondContact O-CG2 3.49Å; L1689-V1693 PolarHBondContact O-N 2.81Å; E1691-V1693 PolarHBondContact O-N 2.82Å; V1693-V1696 PolarHBondContact O-N 3.09Å; V1693-A1697 VanDerWaalsContact O-CB 3.32Å; V1693-A1697 WeakPolarHBondContact O-CB 3.44Å; V1693-A1697 PolarHBondContact O-N 2.82Å
1694N58.7Low50.6Low89 Ų8995 Ų9548%0.47651%0.507SS..Hα-helixtrans-64.2-41.4172.9-80.5-17.1000112.2K1690 E1691 A1697 K1698K1690-N1694 WeakPolarHBondContact O-CB 3.46Å; K1690-N1694 PolarHBondContact O-N 2.64Å; E1691-N1694 PolarHBondContact O-N 3.25Å; N1694-A1697 PolarHBondContact O-N 2.91Å; N1694-K1698 WeakPolarHBondContact O-CG 3.42Å; N1694-K1698 PolarHBondContact O-N 3.26Å
1695E54.3Low49.6Very low77 Ų77100.8 Ų100.836%0.3652%0.522SS..Hα-helixtrans-67.3-39.7173.1-79.5-57131.600112.1E1691 A1697 K1698 I1699E1691-E1695 PolarHBondContact O-N 3.05Å; E1695-A1697 VanDerWaalsContact C-N 3.32Å; E1695-A1697 PolarHBondContact O-N 2.76Å; E1695-K1698 PolarHBondContact O-N 3.38Å; E1695-K1698 VanDerWaalsContact OE1-CD 3.3Å; E1695-K1698 WeakPolarHBondContact OE1-CD 3.36Å; E1695-K1698 WeakPolarHBondContact OE1-CE 3.43Å; E1695-K1698 IonicContact OE1-NZ 2.74Å; E1695-K1698 PolarHBondContact OE1-NZ 2.83Å; E1695-I1699 VanDerWaalsContact O-CB 3.23Å; E1695-I1699 WeakPolarHBondContact O-CB 3.47Å; E1695-I1699 WeakPolarHBondContact O-CD1 3.21Å; E1695-I1699 WeakPolarHBondContact O-CG1 3.47Å; E1695-I1699 PolarHBondContact O-N 2.95Å
1696V45.6Very low49.1Very low78 Ų78106.2 Ų106.247%0.47355%0.545SS..Hα-helixtrans-63.8-37.8172.7166.60000111.2A1692 V1693 I1699 I1700A1692-V1696 WeakPolarHBondContact O-CB 3.45Å; A1692-V1696 VanDerWaalsContact O-CG2 3.24Å; A1692-V1696 WeakPolarHBondContact O-CG2 3.44Å; A1692-V1696 PolarHBondContact O-N 2.68Å; V1693-V1696 PolarHBondContact O-N 3.09Å; V1696-I1699 PolarHBondContact O-N 3.07Å; V1696-I1700 HydrophobicContact CG1-CD1 3.66Å; V1696-I1700 HydrophobicContact CG1-CG1 4.34Å; V1696-I1700 WeakPolarHBondContact O-CB 3.36Å; V1696-I1700 VanDerWaalsContact O-CG1 3.24Å; V1696-I1700 WeakPolarHBondContact O-CG1 3.47Å; V1696-I1700 PolarHBondContact O-N 3.3Å
1697A54.1Low48.7Very low42 Ų42105.3 Ų105.335%0.34755%0.551SS.*Hα-helixtrans-64.9-45.5174.200000111.9V1693 N1694 E1695 I1699 I1700 H1701V1693-A1697 VanDerWaalsContact O-CB 3.32Å; V1693-A1697 WeakPolarHBondContact O-CB 3.44Å; V1693-A1697 PolarHBondContact O-N 2.82Å; N1694-A1697 PolarHBondContact O-N 2.91Å; E1695-A1697 VanDerWaalsContact C-N 3.32Å; E1695-A1697 PolarHBondContact O-N 2.76Å; A1697-I1699 VanDerWaalsContact C-N 3.34Å; A1697-I1699 PolarHBondContact O-N 2.82Å; A1697-I1700 PolarHBondContact O-N 3.37Å; A1697-H1701 WeakPolarHBondContact O-CB 3.38Å; A1697-H1701 PolarHBondContact O-CD2 2.88Å; A1697-H1701 PolarHBondContact O-N 2.89Å
1698K60.6Low47.4Very low106 Ų106112.2 Ų112.246%0.46157%0.573SS.*Hα-helixtrans-58.9-44.5171.1-69.9173.6-162.5170.80111.4N1694 E1695 I1700 H1701 N1702N1694-K1698 WeakPolarHBondContact O-CG 3.42Å; N1694-K1698 PolarHBondContact O-N 3.26Å; E1695-K1698 PolarHBondContact O-N 3.38Å; E1695-K1698 VanDerWaalsContact OE1-CD 3.3Å; E1695-K1698 WeakPolarHBondContact OE1-CD 3.36Å; E1695-K1698 WeakPolarHBondContact OE1-CE 3.43Å; E1695-K1698 IonicContact OE1-NZ 2.74Å; E1695-K1698 PolarHBondContact OE1-NZ 2.83Å; K1698-I1700 VanDerWaalsContact C-N 3.33Å; K1698-I1700 PolarHBondContact O-N 3.12Å; K1698-H1701 PolarHBondContact O-N 3.45Å; K1698-N1702 WeakPolarHBondContact O-CB 3.5Å; K1698-N1702 VanDerWaalsContact O-CG 3.23Å; K1698-N1702 PolarHBondContact O-N 2.82Å; K1698-N1702 PolarHBondContact O-ND2 2.81Å; K1698-N1702 VanDerWaalsContact O-ND2 3.15Å
1699I48Very low46.4Very low88 Ų88114.5 Ų114.545%0.45159%0.586SS.*Hα-helixtrans-65.6-35.2179.9-74.8166.6000111.1E1695 V1696 A1697 N1703E1695-I1699 VanDerWaalsContact O-CB 3.23Å; E1695-I1699 WeakPolarHBondContact O-CB 3.47Å; E1695-I1699 WeakPolarHBondContact O-CD1 3.21Å; E1695-I1699 WeakPolarHBondContact O-CG1 3.47Å; E1695-I1699 PolarHBondContact O-N 2.95Å; V1696-I1699 PolarHBondContact O-N 3.07Å; A1697-I1699 VanDerWaalsContact C-N 3.34Å; A1697-I1699 PolarHBondContact O-N 2.82Å; I1699-N1703 VanDerWaalsContact O-CB 3.29Å; I1699-N1703 WeakPolarHBondContact O-CB 3.43Å; I1699-N1703 PolarHBondContact O-N 3.39Å; I1699-N1703 PolarHBondContact O-ND2 3.07Å
1700I45.7Very low46Very low123 Ų123119.3 Ų119.363%0.63161%0.606SS**Hα-helixtrans-73.5-43.4175.5-72.5168.2000111.3V1696 A1697 K1698V1696-I1700 HydrophobicContact CG1-CD1 3.66Å; V1696-I1700 HydrophobicContact CG1-CG1 4.34Å; V1696-I1700 WeakPolarHBondContact O-CB 3.36Å; V1696-I1700 VanDerWaalsContact O-CG1 3.24Å; V1696-I1700 WeakPolarHBondContact O-CG1 3.47Å; V1696-I1700 PolarHBondContact O-N 3.3Å; A1697-I1700 PolarHBondContact O-N 3.37Å; K1698-I1700 VanDerWaalsContact C-N 3.33Å; K1698-I1700 PolarHBondContact O-N 3.12Å
1701H50.1Low44.8Very low164 Ų164122.6 Ų122.676%0.75962%0.616SS**Hα-helixtrans-74.1-26.9179.5-85-78.9000114.3A1697 K1698A1697-H1701 WeakPolarHBondContact O-CB 3.38Å; A1697-H1701 PolarHBondContact O-CD2 2.88Å; A1697-H1701 PolarHBondContact O-N 2.89Å; K1698-H1701 PolarHBondContact O-N 3.45Å
1702N48.5Very low43.8Very low122 Ų122125.3 Ų125.365%0.65263%0.626SS**SBendtrans-104.84.2-172.7-61-33000115.2K1698 P1704K1698-N1702 WeakPolarHBondContact O-CB 3.5Å; K1698-N1702 VanDerWaalsContact O-CG 3.23Å; K1698-N1702 PolarHBondContact O-N 2.82Å; K1698-N1702 PolarHBondContact O-ND2 2.81Å; K1698-N1702 VanDerWaalsContact O-ND2 3.15Å; N1702-P1704 WeakPolarHBondContact O-CD 3.26Å
1703N35.2Very low43.4Very low76 Ų76129.6 Ų129.641%0.40664%0.641SS.*  trans-99.4116.3-178.9-95.4-71.5000113.7I1699 W1705I1699-N1703 VanDerWaalsContact O-CB 3.29Å; I1699-N1703 WeakPolarHBondContact O-CB 3.43Å; I1699-N1703 PolarHBondContact O-N 3.39Å; I1699-N1703 PolarHBondContact O-ND2 3.07Å; N1703-W1705 PolarHBondContact O-N 3.19Å; N1703-W1705 PolarHBondContact OD1-NE1 3.02Å
1704P34Very low43.1Very low102 Ų102133.2 Ų133.266%0.66265%0.652SS**  trans-71.610.7-176.9-20.534.3000117.2N1702 I1706N1702-P1704 WeakPolarHBondContact O-CD 3.26Å; P1704-I1706 PolarHBondContact O-N 3.35Å; P1704-I1706 VanDerWaalsContact O-N 3.07Å
1705W39.5Very low42.5Very low220 Ų220135.6 Ų135.683%0.83367%0.665SS**THydrogen-bonded Turntrans-82.416.5-161.5-61.268.2000114.9N1703N1703-W1705 PolarHBondContact O-N 3.19Å; N1703-W1705 PolarHBondContact OD1-NE1 3.02Å
1706I40.3Very low42Very low160 Ų160133.8 Ų133.882%0.82166%0.661SS**THydrogen-bonded Turntrans-109-6.3-178.2-60.1178.9000111.9P1704P1704-I1706 PolarHBondContact O-N 3.35Å; P1704-I1706 VanDerWaalsContact O-N 3.07Å
1707N36.9Very low42.3Very low146 Ų146135.1 Ų135.178%0.78166%0.662SS**SBendtrans-72.1145.6169.7-80.9-30000111.8
1708E32.3Very low42.6Very low184 Ų184138.2 Ų138.286%0.8667%0.67SS**  trans-71.9167.7-177.5-62.5-175.8114.700113.1
1709D33.6Very low42.5Very low155 Ų155137.8 Ų137.883%0.82968%0.676SS**  trans76.4134.9178.6-69.8-28.2000119.7
1710Q34.8Very low42.9Very low166 Ų166138.7 Ų138.778%0.77668%0.68SS**  trans93.481.2160.1-48.1-152.125.100121.5
1711Y34.7Very low43.8Very low212 Ų212137.7 Ų137.783%0.83167%0.668SS**  70.9125.5126.2-67.8-69.9000122.8
1712K38.2Very low44.5Very low188 Ų188136 Ų13682%0.81766%0.662SS**  trans80.8110.3161.9-64.8-171.1173.5-170.70117.2
1713L38.2Very low44.9Very low139 Ų139136.4 Ų136.473%0.72866%0.658SS**  trans-93.5-6.5-169.4-157.369000114.2S1716L1713-S1716 WeakPolarHBondContact O-CB 3.35Å; L1713-S1716 PolarHBondContact O-N 2.96Å; L1713-S1716 PolarHBondContact O-OG 2.97Å
1714E42.4Very low46.1Very low160 Ų160137.8 Ų137.875%0.74866%0.664SS**Hα-helixtrans-75.2-48.2-165.1-69.2169.7125.800113.1S1716 E1717E1714-S1716 PolarHBondContact O-N 3.48Å; E1714-E1717 PolarHBondContact O-N 3.24Å
1715D44.9Very low47.8Very low139 Ų139137.6 Ų137.674%0.74366%0.657SS**Hα-helixtrans-68.3-15.8172.7-65.6-46.6000112.9E1717 T1719D1715-E1717 VanDerWaalsContact C-N 3.28Å; D1715-E1717 PolarHBondContact O-N 3.18Å; D1715-T1719 PolarHBondContact O-N 3.07Å; D1715-T1719 PolarHBondContact O-OG1 2.8Å
1716S44.5Very low49Very low40 Ų40136.4 Ų136.428%0.2865%0.652SS.*Hα-helixtrans-69.5-25.1171.689.50000112.1L1713 E1714 M1720L1713-S1716 WeakPolarHBondContact O-CB 3.35Å; L1713-S1716 PolarHBondContact O-N 2.96Å; L1713-S1716 PolarHBondContact O-OG 2.97Å; E1714-S1716 PolarHBondContact O-N 3.48Å; S1716-M1720 WeakPolarHBondContact O-CA 3.23Å; S1716-M1720 WeakPolarHBondContact O-CB 3.14Å; S1716-M1720 PolarHBondContact O-N 3.08Å
1717E51.3Low49.6Very low106 Ų106132.4 Ų132.450%0.49563%0.632SS.*Hα-helixtrans-72.5-35.1179.8-151.6-156176.700112E1714 D1715 R1721E1714-E1717 PolarHBondContact O-N 3.24Å; D1715-E1717 VanDerWaalsContact C-N 3.28Å; D1715-E1717 PolarHBondContact O-N 3.18Å; E1717-R1721 VanDerWaalsContact CD-CZ 3.48Å; E1717-R1721 VanDerWaalsContact O-CB 3.29Å; E1717-R1721 WeakPolarHBondContact O-CB 3.07Å; E1717-R1721 PolarHBondContact O-N 3.46Å; E1717-R1721 IonicContact OE1-CZ 3.53Å; E1717-R1721 IonicContact OE1-NH1 2.7Å; E1717-R1721 PolarHBondContact OE1-NH1 2.92Å; E1717-R1721 IonicContact OE1-NH2 3.46Å; E1717-R1721 IonicContact OE2-CZ 3.67Å; E1717-R1721 IonicContact OE2-NH1 3.97Å; E1717-R1721 PolarHBondContact OE2-NH1 2.85Å; E1717-R1721 IonicContact OE2-NH2 2.73Å; E1717-R1721 PolarHBondContact OE2-NH2 3.48Å
1718E61.4Low50.9Low106 Ų106128.4 Ų128.450%0.49561%0.61SS.*Hα-helixtrans-72.4-42.9175-161.464.7-165.100110.8R1721 M1722E1718-R1721 CarbonylContact O-C 3.47Å; E1718-R1721 WeakPolarHBondContact O-CB 3.32Å; E1718-R1721 PolarHBondContact O-N 2.85Å; E1718-R1721 IonicContact OE2-CZ 2.75Å; E1718-R1721 IonicContact OE2-NE 3.33Å; E1718-R1721 PolarHBondContact OE2-NE 3.31Å; E1718-R1721 IonicContact OE2-NH2 3.71Å; E1718-M1722 PolarHBondContact O-N 2.9Å
1719T58.8Low52.6Low98 Ų98124 Ų12460%0.60160%0.595SS**Hα-helixtrans-66.2-39.4177.2-54.20000111.3D1715 M1722 F1723D1715-T1719 PolarHBondContact O-N 3.07Å; D1715-T1719 PolarHBondContact O-OG1 2.8Å; T1719-M1722 PolarHBondContact O-N 3.39Å; T1719-F1723 WeakPolarHBondContact O-CB 3.47Å; T1719-F1723 PolarHBondContact O-N 3.3Å
1720M54.5Low53.6Low106 Ų106119.7 Ų119.752%0.52258%0.578SS.*Hα-helixtrans-73.2-30.3173.7-167.3178.5-6000111.7S1716 M1724S1716-M1720 WeakPolarHBondContact O-CA 3.23Å; S1716-M1720 WeakPolarHBondContact O-CB 3.14Å; S1716-M1720 PolarHBondContact O-N 3.08Å; M1720-M1724 HydrophobicContact CG-CG 4.21Å; M1720-M1724 WeakPolarHBondContact O-CB 3.5Å; M1720-M1724 WeakPolarHBondContact O-CG 3.3Å; M1720-M1724 PolarHBondContact O-N 3.44Å
1721R65.5Low54.4Low103 Ų103115.1 Ų115.139%0.38956%0.558SS.*Hα-helixtrans-65.2-42.4166.4-95.7-170.4-77.7-84-2.7111.9E1717 E1718 N1725E1717-R1721 VanDerWaalsContact CD-CZ 3.48Å; E1717-R1721 VanDerWaalsContact O-CB 3.29Å; E1717-R1721 WeakPolarHBondContact O-CB 3.07Å; E1717-R1721 PolarHBondContact O-N 3.46Å; E1717-R1721 IonicContact OE1-CZ 3.53Å; E1717-R1721 IonicContact OE1-NH1 2.7Å; E1717-R1721 PolarHBondContact OE1-NH1 2.92Å; E1717-R1721 IonicContact OE1-NH2 3.46Å; E1717-R1721 IonicContact OE2-CZ 3.67Å; E1717-R1721 IonicContact OE2-NH1 3.97Å; E1717-R1721 PolarHBondContact OE2-NH1 2.85Å; E1717-R1721 IonicContact OE2-NH2 2.73Å; E1717-R1721 PolarHBondContact OE2-NH2 3.48Å; E1718-R1721 CarbonylContact O-C 3.47Å; E1718-R1721 WeakPolarHBondContact O-CB 3.32Å; E1718-R1721 PolarHBondContact O-N 2.85Å; E1718-R1721 IonicContact OE2-CZ 2.75Å; E1718-R1721 IonicContact OE2-NE 3.33Å; E1718-R1721 PolarHBondContact OE2-NE 3.31Å; E1718-R1721 IonicContact OE2-NH2 3.71Å; R1721-N1725 WeakPolarHBondContact O-CB 3.35Å; R1721-N1725 PolarHBondContact O-N 2.88Å; R1721-N1725 PolarHBondContact O-ND2 3.48Å; R1721-N1725 VanDerWaalsContact O-ND2 3.16Å
1722M63.9Low55.6Low128 Ų128107.3 Ų107.363%0.63153%0.533SS*.Hα-helixtrans-65.7-44.6175-71.6-157.1-171.200111.6E1718 T1719 N1725 R1726E1718-M1722 PolarHBondContact O-N 2.9Å; T1719-M1722 PolarHBondContact O-N 3.39Å; M1722-N1725 PolarHBondContact O-N 2.89Å; M1722-R1726 VanDerWaalsContact O-CB 3.22Å; M1722-R1726 WeakPolarHBondContact O-CB 3.4Å; M1722-R1726 PolarHBondContact O-N 2.67Å
1723F58.1Low56.7Low131 Ų131105.3 Ų105.358%0.57552%0.524SS*.Hα-helixtrans-61.8-50.4175.2-177-96.8000111.3T1719 N1725 R1726 L1727T1719-F1723 WeakPolarHBondContact O-CB 3.47Å; T1719-F1723 PolarHBondContact O-N 3.3Å; F1723-N1725 PolarHBondContact O-N 3.06Å; F1723-R1726 PolarHBondContact O-N 2.79Å; F1723-L1727 HydrophobicContact CE1-CD1 4.17Å; F1723-L1727 HydrophobicContact CZ-CD1 4.12Å; F1723-L1727 VanDerWaalsContact O-CB 3.23Å; F1723-L1727 WeakPolarHBondContact O-CB 3.13Å; F1723-L1727 PolarHBondContact O-N 2.98Å
1724M60.7Low57.3Low105 Ų10599.4 Ų99.452%0.51750%0.496SS..Hα-helixtrans-63.3-38.2177.3-73.6-69.7-170.300112.4M1720 L1727 L1728M1720-M1724 HydrophobicContact CG-CG 4.21Å; M1720-M1724 WeakPolarHBondContact O-CB 3.5Å; M1720-M1724 WeakPolarHBondContact O-CG 3.3Å; M1720-M1724 PolarHBondContact O-N 3.44Å; M1724-L1727 PolarHBondContact O-N 3.17Å; M1724-L1727 HydrophobicContact SD-CD2 4.48Å; M1724-L1728 WeakPolarHBondContact O-CB 3.29Å; M1724-L1728 PolarHBondContact O-N 3.28Å
1725N68.9Low57.9Low97 Ų9795 Ų9552%0.51948%0.477SS..Hα-helixtrans-68.5-40.3174.8-77.1-30.7000111.7R1721 M1722 F1723 L1728 V1729R1721-N1725 WeakPolarHBondContact O-CB 3.35Å; R1721-N1725 PolarHBondContact O-N 2.88Å; R1721-N1725 PolarHBondContact O-ND2 3.48Å; R1721-N1725 VanDerWaalsContact O-ND2 3.16Å; M1722-N1725 PolarHBondContact O-N 2.89Å; F1723-N1725 PolarHBondContact O-N 3.06Å; N1725-L1728 PolarHBondContact O-N 2.86Å; N1725-V1729 WeakPolarHBondContact O-CB 3.39Å; N1725-V1729 VanDerWaalsContact O-CG2 3.29Å; N1725-V1729 WeakPolarHBondContact O-CG2 3.18Å; N1725-V1729 PolarHBondContact O-N 3.44Å
1726R64.9Low58.5Low196 Ų19693.7 Ų93.774%0.7447%0.47SS*.Hα-helixtrans-66.4-39.2175.5-167172.3-175.8174-0.6111M1722 F1723 S1730M1722-R1726 VanDerWaalsContact O-CB 3.22Å; M1722-R1726 WeakPolarHBondContact O-CB 3.4Å; M1722-R1726 PolarHBondContact O-N 2.67Å; F1723-R1726 PolarHBondContact O-N 2.79Å; R1726-S1730 WeakPolarHBondContact O-CB 3.39Å; R1726-S1730 PolarHBondContact O-N 2.86Å; R1726-S1730 PolarHBondContact O-OG 3.33Å
1727L53.3Low59.1Low75 Ų7595.4 Ų95.439%0.39348%0.479SS..Hα-helixtrans-66.2-41172.3-162.897.4000111.4F1723 M1724 S1730 L1731F1723-L1727 HydrophobicContact CE1-CD1 4.17Å; F1723-L1727 HydrophobicContact CZ-CD1 4.12Å; F1723-L1727 VanDerWaalsContact O-CB 3.23Å; F1723-L1727 WeakPolarHBondContact O-CB 3.13Å; F1723-L1727 PolarHBondContact O-N 2.98Å; M1724-L1727 PolarHBondContact O-N 3.17Å; M1724-L1727 HydrophobicContact SD-CD2 4.48Å; L1727-S1730 PolarHBondContact O-N 3.47Å; L1727-L1731 HydrophobicContact CD2-CD1 4.48Å; L1727-L1731 HydrophobicContact CG-CD1 4.21Å; L1727-L1731 WeakPolarHBondContact O-CB 3.25Å; L1727-L1731 WeakPolarHBondContact O-CD1 3.49Å; L1727-L1731 PolarHBondContact O-N 2.79Å
1728L63.8Low59.3Low62 Ų6294.1 Ų94.133%0.32548%0.475SS..Hα-helixtrans-69.6-37.1178.3-161.884.2000111.8M1724 N1725 T1732 L1784M1724-L1728 WeakPolarHBondContact O-CB 3.29Å; M1724-L1728 PolarHBondContact O-N 3.28Å; N1725-L1728 PolarHBondContact O-N 2.86Å; L1728-T1732 WeakPolarHBondContact O-CB 3.48Å; L1728-T1732 PolarHBondContact O-N 3.1Å; L1728-T1732 PolarHBondContact O-OG1 3.26Å; L1728-L1784 HydrophobicContact CD1-CD2 4.33Å
1729V68.1Low58.8Low91 Ų9193.1 Ų93.155%0.55247%0.471SS*.Hα-helixtrans-68.2-41.4172.2168.20000110.7N1725 T1732 K1733N1725-V1729 WeakPolarHBondContact O-CB 3.39Å; N1725-V1729 VanDerWaalsContact O-CG2 3.29Å; N1725-V1729 WeakPolarHBondContact O-CG2 3.18Å; N1725-V1729 PolarHBondContact O-N 3.44Å; V1729-T1732 PolarHBondContact O-N 3.49Å; V1729-K1733 PolarHBondContact O-N 3.5Å
1730S55.1Low58.8Low66 Ų6696 Ų9646%0.46248%0.475SS..Hα-helixtrans-65.6-41.9174.8-55.20000111.7R1726 L1727 K1733 A1734R1726-S1730 WeakPolarHBondContact O-CB 3.39Å; R1726-S1730 PolarHBondContact O-N 2.86Å; R1726-S1730 PolarHBondContact O-OG 3.33Å; L1727-S1730 PolarHBondContact O-N 3.47Å; S1730-K1733 PolarHBondContact O-N 2.88Å; S1730-A1734 WeakPolarHBondContact O-CB 3.31Å; S1730-A1734 PolarHBondContact O-N 2.89Å
1731L51.4Low58.9Low69 Ų6996.5 Ų96.536%0.36148%0.479SS..Hα-helixtrans-61.9-43.2171.2-107.875.6000111.4L1727 K1733 A1734 L1735L1727-L1731 HydrophobicContact CD2-CD1 4.48Å; L1727-L1731 HydrophobicContact CG-CD1 4.21Å; L1727-L1731 WeakPolarHBondContact O-CB 3.25Å; L1727-L1731 WeakPolarHBondContact O-CD1 3.49Å; L1727-L1731 PolarHBondContact O-N 2.79Å; L1731-K1733 VanDerWaalsContact C-N 3.32Å; L1731-K1733 PolarHBondContact O-N 3.34Å; L1731-A1734 PolarHBondContact O-N 2.9Å; L1731-L1735 VanDerWaalsContact O-CB 3.29Å; L1731-L1735 WeakPolarHBondContact O-CB 3.34Å; L1731-L1735 WeakPolarHBondContact O-CD1 3.38Å; L1731-L1735 WeakPolarHBondContact O-CG 3.27Å; L1731-L1735 PolarHBondContact O-N 3.46Å
1732T59.9Low58.4Low49 Ų4995.8 Ų95.830%0.30148%0.476SS..Hα-helixtrans-61.6-43.4179.1-56.40000110.3L1728 V1729L1728-T1732 WeakPolarHBondContact O-CB 3.48Å; L1728-T1732 PolarHBondContact O-N 3.1Å; L1728-T1732 PolarHBondContact O-OG1 3.26Å; V1729-T1732 PolarHBondContact O-N 3.49Å
1733K60Low58.1Low145 Ų14594.2 Ų94.263%0.6347%0.469SS*.Hα-helixtrans-67.1-35.6174-75.6-166167.8-157.30113.7V1729 S1730 L1731V1729-K1733 PolarHBondContact O-N 3.5Å; S1730-K1733 PolarHBondContact O-N 2.88Å; L1731-K1733 VanDerWaalsContact C-N 3.32Å; L1731-K1733 PolarHBondContact O-N 3.34Å
1734A50.9Low58.4Low16 Ų1691.7 Ų91.713%0.13247%0.468CS..Hα-helixtrans-73.1-35.7178.600000112.5S1730 L1731 D1736 T1737S1730-A1734 WeakPolarHBondContact O-CB 3.31Å; S1730-A1734 PolarHBondContact O-N 2.89Å; L1731-A1734 PolarHBondContact O-N 2.9Å; A1734-D1736 PolarHBondContact O-N 2.75Å; A1734-T1737 PolarHBondContact O-N 3.35Å; A1734-T1737 VanDerWaalsContact O-N 3.16Å; A1734-T1737 PolarHBondContact O-OG1 2.85Å
1735L55.2Low58.5Low66 Ų6689.9 Ų89.935%0.34646%0.463SS..Hα-helixtrans-65.6-19.5177.5-75.8166.4000113.5L1731 T1737 I1746L1731-L1735 VanDerWaalsContact O-CB 3.29Å; L1731-L1735 WeakPolarHBondContact O-CB 3.34Å; L1731-L1735 WeakPolarHBondContact O-CD1 3.38Å; L1731-L1735 WeakPolarHBondContact O-CG 3.27Å; L1731-L1735 PolarHBondContact O-N 3.46Å; L1735-T1737 VanDerWaalsContact C-N 3.28Å; L1735-T1737 PolarHBondContact O-N 3.49Å; L1735-I1746 HydrophobicContact CD2-CD1 3.79Å
1736D58.3Low57.7Low112 Ų11287.6 Ų87.660%0.59945%0.45SS*.THydrogen-bonded Turntrans-79.6-0.9174.9-69-32.7000113.3A1734A1734-D1736 PolarHBondContact O-N 2.75Å
1737T56.8Low57.9Low76 Ų7681.5 Ų81.547%0.46644%0.435SS..THydrogen-bonded Turntrans-114.1-29.9-166.5630000118.6A1734 L1735A1734-T1737 PolarHBondContact O-N 3.35Å; A1734-T1737 VanDerWaalsContact O-N 3.16Å; A1734-T1737 PolarHBondContact O-OG1 2.85Å; L1735-T1737 VanDerWaalsContact C-N 3.28Å; L1735-T1737 PolarHBondContact O-N 3.49Å
1738D56.4Low58.5Low79 Ų7980.6 Ų80.642%0.42244%0.435SS..  trans-159.8128.1164.4-173.6-12.2000110.6K1740 W1742D1738-K1740 PolarHBondContact OD1-N 2.89Å; D1738-W1742 WeakPolarHBondContact O-CB 3.31Å
1739E50.1Low58.2Low86 Ų8680.5 Ų80.540%0.40244%0.439SS..Hα-helixtrans-62.5-48179.4-169.6-161.2161.100112.4I1743 R1799E1739-I1743 HydrophobicContact CG-CD1 4.05Å; E1739-I1743 VanDerWaalsContact O-CB 3.29Å; E1739-I1743 WeakPolarHBondContact O-CB 3.32Å; E1739-I1743 WeakPolarHBondContact O-CD1 3.39Å; E1739-I1743 WeakPolarHBondContact O-CG1 3.48Å; E1739-I1743 PolarHBondContact O-N 3.48Å; E1739-I1743 VanDerWaalsContact O-N 3.12Å; E1739-R1799 IonicContact OE1-NH2 3.47Å; E1739-R1799 PolarHBondContact OE1-NH2 3.3Å; E1739-R1799 IonicContact OE2-CZ 2.76Å; E1739-R1799 IonicContact OE2-NH1 3.6Å; E1739-R1799 IonicContact OE2-NH2 3.36Å; E1739-R1799 PolarHBondContact OE2-NH2 3.24Å
1740K59.3Low58Low159 Ų15980.6 Ų80.669%0.69144%0.436SS*.Hα-helixtrans-88.4-43-161.8-71.4173.7-174.6164.60112.8D1738 S1744D1738-K1740 PolarHBondContact OD1-N 2.89Å; K1740-S1744 WeakPolarHBondContact O-CB 3.27Å; K1740-S1744 PolarHBondContact O-N 2.82Å
1741L57Low58.5Low116 Ų11681.5 Ų81.561%0.60744%0.435SS*.Hα-helixtrans-64.9-43.3178.5-140.982.1000110.5S1744 V1745L1741-S1744 WeakPolarHBondContact O-CB 3.21Å; L1741-S1744 PolarHBondContact O-N 3.3Å; L1741-V1745 WeakPolarHBondContact O-CG2 3.44Å; L1741-V1745 PolarHBondContact O-N 3.08Å
1742W53.3Low59Low88 Ų8884 Ų8433%0.33345%0.445SS..Hα-helixtrans-76.3-32.9-179.9-71.2109.7000114D1738 S1744 V1745 I1746D1738-W1742 WeakPolarHBondContact O-CB 3.31Å; W1742-S1744 VanDerWaalsContact C-N 3.27Å; W1742-S1744 PolarHBondContact O-N 3.25Å; W1742-V1745 HydrophobicContact CE3-CB 4.08Å; W1742-V1745 HydrophobicContact CE3-CG1 3.98Å; W1742-V1745 HydrophobicContact CZ3-CB 4.43Å; W1742-V1745 HydrophobicContact CZ3-CG1 3.87Å; W1742-V1745 PolarHBondContact O-N 3.01Å; W1742-I1746 HydrophobicContact CB-CD1 4.49Å; W1742-I1746 WeakPolarHBondContact O-CB 3.24Å; W1742-I1746 WeakPolarHBondContact O-CG1 3.45Å; W1742-I1746 PolarHBondContact O-N 3.01Å
1743I58.7Low58.7Low94 Ų9485 Ų8548%0.48245%0.451SS..Hα-helixtrans-63.1-37168.1-72.5172.9000110.5E1739 T1747E1739-I1743 HydrophobicContact CG-CD1 4.05Å; E1739-I1743 VanDerWaalsContact O-CB 3.29Å; E1739-I1743 WeakPolarHBondContact O-CB 3.32Å; E1739-I1743 WeakPolarHBondContact O-CD1 3.39Å; E1739-I1743 WeakPolarHBondContact O-CG1 3.48Å; E1739-I1743 PolarHBondContact O-N 3.48Å; E1739-I1743 VanDerWaalsContact O-N 3.12Å; I1743-T1747 WeakPolarHBondContact O-CB 3.36Å; I1743-T1747 PolarHBondContact O-N 3.43Å; I1743-T1747 PolarHBondContact O-OG1 3.32Å
1744S64.5Low58.5Low78 Ų7880.6 Ų80.655%0.54544%0.438SS..Hα-helixtrans-64.3-50173.5-171.80000112.1K1740 L1741 W1742 T1747 S1748K1740-S1744 WeakPolarHBondContact O-CB 3.27Å; K1740-S1744 PolarHBondContact O-N 2.82Å; L1741-S1744 WeakPolarHBondContact O-CB 3.21Å; L1741-S1744 PolarHBondContact O-N 3.3Å; W1742-S1744 VanDerWaalsContact C-N 3.27Å; W1742-S1744 PolarHBondContact O-N 3.25Å; S1744-T1747 PolarHBondContact O-N 2.77Å; S1744-S1748 WeakPolarHBondContact O-CB 3.33Å; S1744-S1748 PolarHBondContact O-N 3.42Å
1745V61.7Low58.7Low68 Ų6883.6 Ų83.641%0.41245%0.452SS..Hα-helixtrans-66-40.7179.6170.60000112.1L1741 W1742 S1748 S1749L1741-V1745 WeakPolarHBondContact O-CG2 3.44Å; L1741-V1745 PolarHBondContact O-N 3.08Å; W1742-V1745 HydrophobicContact CE3-CB 4.08Å; W1742-V1745 HydrophobicContact CE3-CG1 3.98Å; W1742-V1745 HydrophobicContact CZ3-CB 4.43Å; W1742-V1745 HydrophobicContact CZ3-CG1 3.87Å; W1742-V1745 PolarHBondContact O-N 3.01Å; V1745-S1748 PolarHBondContact O-N 3.48Å; V1745-S1749 WeakPolarHBondContact O-CB 3.38Å; V1745-S1749 PolarHBondContact O-N 3.15Å
1746I53.5Low59.1Low49 Ų4984.9 Ų84.925%0.25146%0.458SS..Hα-helixtrans-70-40.8176.5-68168.9000110.3L1735 W1742 S1749 I1750L1735-I1746 HydrophobicContact CD2-CD1 3.79Å; W1742-I1746 HydrophobicContact CB-CD1 4.49Å; W1742-I1746 WeakPolarHBondContact O-CB 3.24Å; W1742-I1746 WeakPolarHBondContact O-CG1 3.45Å; W1742-I1746 PolarHBondContact O-N 3.01Å; I1746-S1749 PolarHBondContact O-N 2.97Å; I1746-I1750 HydrophobicContact CG2-CD1 3.59Å; I1746-I1750 HydrophobicContact CG2-CG1 4.19Å; I1746-I1750 WeakPolarHBondContact O-CB 3.27Å; I1746-I1750 WeakPolarHBondContact O-CG1 3.41Å; I1746-I1750 PolarHBondContact O-N 3.39Å
1747T68.9Low58.7Low68 Ų6884.5 Ų84.542%0.41746%0.455SS..Hα-helixtrans-66.8-39.5174.9-58.80000111.2I1743 S1744 N1751I1743-T1747 WeakPolarHBondContact O-CB 3.36Å; I1743-T1747 PolarHBondContact O-N 3.43Å; I1743-T1747 PolarHBondContact O-OG1 3.32Å; S1744-T1747 PolarHBondContact O-N 2.77Å; T1747-N1751 WeakPolarHBondContact O-CB 3.25Å; T1747-N1751 PolarHBondContact O-N 2.94Å; T1747-N1751 PolarHBondContact O-ND2 3.07Å
1748S65.6Low58.8Low56 Ų5688.6 Ų88.639%0.39246%0.462SS..Hα-helixtrans-65.6-46.1175.1-173.20000111.6S1744 V1745 N1751 Q1752S1744-S1748 WeakPolarHBondContact O-CB 3.33Å; S1744-S1748 PolarHBondContact O-N 3.42Å; V1745-S1748 PolarHBondContact O-N 3.48Å; S1748-N1751 PolarHBondContact O-N 3.19Å; S1748-Q1752 WeakPolarHBondContact O-CB 3.18Å; S1748-Q1752 WeakPolarHBondContact O-CG 3.31Å; S1748-Q1752 PolarHBondContact O-N 2.9Å
1749S57.4Low58.3Low60 Ų6088 Ų8842%0.4246%0.464SS..Hα-helixtrans-69.4-38.6178.4-1780000112.6V1745 I1746 T1753V1745-S1749 WeakPolarHBondContact O-CB 3.38Å; V1745-S1749 PolarHBondContact O-N 3.15Å; I1746-S1749 PolarHBondContact O-N 2.97Å; S1749-T1753 WeakPolarHBondContact O-CB 3.32Å; S1749-T1753 PolarHBondContact O-N 2.88Å; S1749-T1753 PolarHBondContact O-OG1 3.01Å
1750I63.3Low58.2Low93 Ų9393 Ų9348%0.47748%0.479SS..Hα-helixtrans-66.6-41.2171-71.4174.8000110.3I1746 T1753 C1754I1746-I1750 HydrophobicContact CG2-CD1 3.59Å; I1746-I1750 HydrophobicContact CG2-CG1 4.19Å; I1746-I1750 WeakPolarHBondContact O-CB 3.27Å; I1746-I1750 WeakPolarHBondContact O-CG1 3.41Å; I1746-I1750 PolarHBondContact O-N 3.39Å; I1750-T1753 PolarHBondContact O-N 3.07Å; I1750-C1754 WeakPolarHBondContact O-CA 3.19Å; I1750-C1754 WeakPolarHBondContact O-CB 3.32Å; I1750-C1754 PolarHBondContact O-N 3.47Å; I1750-C1754 PolarHBondContact O-SG 2.83Å
1751N67.3Low57.5Low84 Ų8490.4 Ų90.445%0.44948%0.477SS..Hα-helixtrans-66.9-46.7176.4-75.2-21.4000111.4T1747 S1748 T1753 C1754 D1755T1747-N1751 WeakPolarHBondContact O-CB 3.25Å; T1747-N1751 PolarHBondContact O-N 2.94Å; T1747-N1751 PolarHBondContact O-ND2 3.07Å; S1748-N1751 PolarHBondContact O-N 3.19Å; N1751-T1753 PolarHBondContact O-N 2.87Å; N1751-C1754 CarbonylContact O-C 3.5Å; N1751-C1754 PolarHBondContact O-N 2.88Å; N1751-D1755 VanDerWaalsContact O-CB 3.26Å; N1751-D1755 WeakPolarHBondContact O-CB 3.46Å; N1751-D1755 PolarHBondContact O-N 3.02Å
1752Q60.7Low56.7Low122 Ų12289.7 Ų89.757%0.5748%0.482SS*.Hα-helixtrans-58-45.9173-76.4-178-5.100111.4S1748 D1755 I1756S1748-Q1752 WeakPolarHBondContact O-CB 3.18Å; S1748-Q1752 WeakPolarHBondContact O-CG 3.31Å; S1748-Q1752 PolarHBondContact O-N 2.9Å; Q1752-D1755 PolarHBondContact O-N 2.78Å; Q1752-I1756 VanDerWaalsContact O-CB 3.3Å; Q1752-I1756 WeakPolarHBondContact O-CB 3.09Å; Q1752-I1756 WeakPolarHBondContact O-CD1 3.26Å; Q1752-I1756 WeakPolarHBondContact O-CG1 3.34Å; Q1752-I1756 PolarHBondContact O-N 3.03Å
1753T54.6Low56Low71 Ų7189.6 Ų89.644%0.43649%0.494SS..Hα-helixtrans-65.1-42.9176.9-58.80000111.1S1749 I1750 N1751 D1755 L1757S1749-T1753 WeakPolarHBondContact O-CB 3.32Å; S1749-T1753 PolarHBondContact O-N 2.88Å; S1749-T1753 PolarHBondContact O-OG1 3.01Å; I1750-T1753 PolarHBondContact O-N 3.07Å; N1751-T1753 PolarHBondContact O-N 2.87Å; T1753-D1755 VanDerWaalsContact C-N 3.33Å; T1753-D1755 PolarHBondContact O-N 3.46Å; T1753-L1757 HydrophobicContact CG2-CD1 4.02Å; T1753-L1757 VanDerWaalsContact O-CB 3.28Å; T1753-L1757 WeakPolarHBondContact O-CB 3.3Å; T1753-L1757 WeakPolarHBondContact O-CG 3.43Å; T1753-L1757 PolarHBondContact O-N 3.34Å
1754C55.3Low55Low51 Ų5190.4 Ų90.435%0.34550%0.504SS..Hα-helixtrans-66.8-31.6176.1-73.90000112.5I1750 N1751 R1758I1750-C1754 WeakPolarHBondContact O-CA 3.19Å; I1750-C1754 WeakPolarHBondContact O-CB 3.32Å; I1750-C1754 PolarHBondContact O-N 3.47Å; I1750-C1754 PolarHBondContact O-SG 2.83Å; N1751-C1754 CarbonylContact O-C 3.5Å; N1751-C1754 PolarHBondContact O-N 2.88Å; C1754-R1758 WeakPolarHBondContact O-CA 3.4Å; C1754-R1758 WeakPolarHBondContact O-CB 3.06Å; C1754-R1758 PolarHBondContact O-N 3.29Å
1755D54.8Low53.4Low79 Ų7991.8 Ų91.842%0.42251%0.511SS..Hα-helixtrans-87.4-27.7179.6-72.4-24.7000112.1N1751 Q1752 T1753 R1758 S1759N1751-D1755 VanDerWaalsContact O-CB 3.26Å; N1751-D1755 WeakPolarHBondContact O-CB 3.46Å; N1751-D1755 PolarHBondContact O-N 3.02Å; Q1752-D1755 PolarHBondContact O-N 2.78Å; T1753-D1755 VanDerWaalsContact C-N 3.33Å; T1753-D1755 PolarHBondContact O-N 3.46Å; D1755-R1758 IonicContact OD1-NH1 3.21Å; D1755-R1758 PolarHBondContact OD1-NH1 2.81Å; D1755-R1758 VanDerWaalsContact OD1-NH1 3.15Å; D1755-S1759 WeakPolarHBondContact O-CB 3.12Å; D1755-S1759 PolarHBondContact O-N 3.2Å; D1755-S1759 PolarHBondContact O-OG 3.02Å
1756I64Low52Low94 Ų9495.2 Ų95.248%0.48253%0.527SS..Hα-helixtrans-63.9-43.7162.5-71.2163.8000109.8Q1752 S1759 R1760Q1752-I1756 VanDerWaalsContact O-CB 3.3Å; Q1752-I1756 WeakPolarHBondContact O-CB 3.09Å; Q1752-I1756 WeakPolarHBondContact O-CD1 3.26Å; Q1752-I1756 WeakPolarHBondContact O-CG1 3.34Å; Q1752-I1756 PolarHBondContact O-N 3.03Å; I1756-S1759 PolarHBondContact O-OG 3.06Å; I1756-S1759 VanDerWaalsContact O-OG 3.11Å; I1756-R1760 VanDerWaalsContact O-CB 3.26Å; I1756-R1760 WeakPolarHBondContact O-CB 3.33Å; I1756-R1760 VanDerWaalsContact O-CG 3.32Å; I1756-R1760 WeakPolarHBondContact O-CG 3.17Å; I1756-R1760 PolarHBondContact O-N 3.28Å
1757L48.9Very low51.1Low103 Ų103100.9 Ų100.954%0.53956%0.557SS.*Hα-helixtrans-69.5-40.7175.1-71.6170000112.3T1753 T1761T1753-L1757 HydrophobicContact CG2-CD1 4.02Å; T1753-L1757 VanDerWaalsContact O-CB 3.28Å; T1753-L1757 WeakPolarHBondContact O-CB 3.3Å; T1753-L1757 WeakPolarHBondContact O-CG 3.43Å; T1753-L1757 PolarHBondContact O-N 3.34Å; L1757-T1761 VanDerWaalsContact O-CB 3.31Å; L1757-T1761 WeakPolarHBondContact O-CB 3.23Å; L1757-T1761 VanDerWaalsContact O-CG2 3.28Å; L1757-T1761 WeakPolarHBondContact O-CG2 3.43Å; L1757-T1761 PolarHBondContact O-N 3.28Å; L1757-T1761 PolarHBondContact O-OG1 2.82Å
1758R58.7Low49.3Very low162 Ų162102.6 Ų102.661%0.61158%0.578SS**Hα-helixtrans-73.9-36.5-179.2-179.3179.8-77.3140.2-8112.2C1754 D1755 T1761 S1762C1754-R1758 WeakPolarHBondContact O-CA 3.4Å; C1754-R1758 WeakPolarHBondContact O-CB 3.06Å; C1754-R1758 PolarHBondContact O-N 3.29Å; D1755-R1758 IonicContact OD1-NH1 3.21Å; D1755-R1758 PolarHBondContact OD1-NH1 2.81Å; D1755-R1758 VanDerWaalsContact OD1-NH1 3.15Å; R1758-T1761 WeakPolarHBondContact CA-OG1 3.25Å; R1758-T1761 PolarHBondContact O-OG1 2.78Å; R1758-S1762 WeakPolarHBondContact O-CB 3.4Å; R1758-S1762 PolarHBondContact O-N 3.3Å; R1758-S1762 VanDerWaalsContact O-N 3.11Å
1759S47.9Very low47.9Very low66 Ų66107.1 Ų107.146%0.46260%0.597SS.*Hα-helixtrans-66.1-50.4170.458.90000110.7D1755 I1756 T1761 S1762D1755-S1759 WeakPolarHBondContact O-CB 3.12Å; D1755-S1759 PolarHBondContact O-N 3.2Å; D1755-S1759 PolarHBondContact O-OG 3.02Å; I1756-S1759 PolarHBondContact O-OG 3.06Å; I1756-S1759 VanDerWaalsContact O-OG 3.11Å; S1759-T1761 VanDerWaalsContact C-N 3.33Å; S1759-T1761 PolarHBondContact O-N 2.9Å; S1759-S1762 WeakPolarHBondContact O-CB 3.23Å; S1759-S1762 PolarHBondContact O-N 2.78Å; S1759-S1762 VanDerWaalsContact O-N 3.09Å; S1759-S1762 PolarHBondContact O-OG 3.27Å
1760R47.4Very low46.7Very low191 Ų191113.3 Ų113.372%0.72162%0.619SS**Hα-helixtrans-64.6-29.9177.8-73.4-178.3165.7-168.6-4.8114.1I1756 S1763I1756-R1760 VanDerWaalsContact O-CB 3.26Å; I1756-R1760 WeakPolarHBondContact O-CB 3.33Å; I1756-R1760 VanDerWaalsContact O-CG 3.32Å; I1756-R1760 WeakPolarHBondContact O-CG 3.17Å; I1756-R1760 PolarHBondContact O-N 3.28Å; R1760-S1763 PolarHBondContact O-OG 2.81Å
1761T44.4Very low45.2Very low106 Ų106114.5 Ų114.565%0.6563%0.626SS**Hα-helixtrans-82.6-12.4173.851.60000114L1757 R1758 S1759 S1763L1757-T1761 VanDerWaalsContact O-CB 3.31Å; L1757-T1761 WeakPolarHBondContact O-CB 3.23Å; L1757-T1761 VanDerWaalsContact O-CG2 3.28Å; L1757-T1761 WeakPolarHBondContact O-CG2 3.43Å; L1757-T1761 PolarHBondContact O-N 3.28Å; L1757-T1761 PolarHBondContact O-OG1 2.82Å; R1758-T1761 WeakPolarHBondContact CA-OG1 3.25Å; R1758-T1761 PolarHBondContact O-OG1 2.78Å; S1759-T1761 VanDerWaalsContact C-N 3.33Å; S1759-T1761 PolarHBondContact O-N 2.9Å; T1761-S1763 VanDerWaalsContact C-N 3.32Å; T1761-S1763 PolarHBondContact O-N 2.8Å
1762S41.1Very low44.3Very low100 Ų100114.4 Ų114.470%0.69963%0.63SS**Hα-helixtrans-74.4-19.1175.575.80000114.1R1758 S1759R1758-S1762 WeakPolarHBondContact O-CB 3.4Å; R1758-S1762 PolarHBondContact O-N 3.3Å; R1758-S1762 VanDerWaalsContact O-N 3.11Å; S1759-S1762 WeakPolarHBondContact O-CB 3.23Å; S1759-S1762 PolarHBondContact O-N 2.78Å; S1759-S1762 VanDerWaalsContact O-N 3.09Å; S1759-S1762 PolarHBondContact O-OG 3.27Å
1763S38.1Very low43.4Very low86 Ų86113.6 Ų113.660%0.60163%0.633SS**SBendtrans-111.94.9-166.860.80000116.3R1760 T1761R1760-S1763 PolarHBondContact O-OG 2.81Å; T1761-S1763 VanDerWaalsContact C-N 3.32Å; T1761-S1763 PolarHBondContact O-N 2.8Å
1764V36.2Very low42.9Very low112 Ų112117.3 Ų117.368%0.67965%0.646SS**  trans-136102.7173.9-1720000111.6
1765P31.6Very low43.1Very low106 Ų106119.6 Ų119.669%0.68865%0.654SS**  trans-88.9130.9-179.533.2-33.1000113.2
1766N32.3Very low43.4Very low141 Ų141119.8 Ų119.875%0.75466%0.655SS**  trans70.5118177.9-39-85.8000114.1
1767L35.1Very low43Very low168 Ų168120.2 Ų120.288%0.8866%0.657SS**  -150.6135.580.3-130.773.9000112L1769L1767-L1769 PolarHBondContact O-N 3.43Å
1768A31.5Very low43.8Very low104 Ų104118.7 Ų118.786%0.8665%0.654SS**  trans-84.7111.7178.900000111.7
1769L35.9Very low44.3Very low151 Ų151116.2 Ų116.279%0.79165%0.65SS**  trans-132.7108161.9-111.4168.4000109.6L1767 L1771L1767-L1769 PolarHBondContact O-N 3.43Å; L1769-L1771 HydrophobicContact CD2-CD1 4.34Å; L1769-L1771 PolarHBondContact O-N 3.46Å
1770Q31.1Very low45Very low189 Ų189117.2 Ų117.288%0.88365%0.649SS**  trans-85.499.3-162.5-170172.615.300110.6
1771L33.3Very low46Very low118 Ų118112.4 Ų112.462%0.61864%0.637SS**  trans-121.7164.8-177.6-95.186.5000112.6L1769 T1773L1769-L1771 HydrophobicContact CD2-CD1 4.34Å; L1769-L1771 PolarHBondContact O-N 3.46Å; L1771-T1773 PolarHBondContact O-N 3.13Å
1772P46.7Very low47.3Very low82 Ų82112.7 Ų112.753%0.53263%0.631SS.*THydrogen-bonded Turntrans-64.9-7.5-159.9-25.936.1000117.5E1774 N1775 I1776P1772-E1774 PolarHBondContact O-N 2.79Å; P1772-E1774 VanDerWaalsContact O-N 3.17Å; P1772-N1775 WeakPolarHBondContact O-CA 3.4Å; P1772-N1775 WeakPolarHBondContact O-CB 3.45Å; P1772-N1775 PolarHBondContact O-N 2.76Å; P1772-I1776 HydrophobicContact CB-CD1 4.1Å; P1772-I1776 HydrophobicContact CB-CG1 4.45Å; P1772-I1776 WeakPolarHBondContact O-CG1 3.4Å; P1772-I1776 PolarHBondContact O-N 2.92Å
1773T42.8Very low48.5Very low106 Ų106112.7 Ų112.765%0.6562%0.619SS**Hα-helixtrans-53.9-37.7-173.7-30.80000113L1771 I1776 L1777L1771-T1773 PolarHBondContact O-N 3.13Å; T1773-I1776 PolarHBondContact O-N 3.42Å; T1773-L1777 WeakPolarHBondContact O-CB 3.46Å; T1773-L1777 PolarHBondContact O-N 2.84Å
1774E44.4Very low49.7Very low149 Ų149111.8 Ų111.870%0.69661%0.608SS**Hα-helixtrans-69.1-35.1177.9-164.2173.3-126.900112.1P1772 C1778P1772-E1774 PolarHBondContact O-N 2.79Å; P1772-E1774 VanDerWaalsContact O-N 3.17Å; E1774-C1778 WeakPolarHBondContact O-CB 3.49Å; E1774-C1778 PolarHBondContact O-N 3.41Å; E1774-C1778 PolarHBondContact O-SG 2.96Å
1775N60Low51.4Low98 Ų98110.1 Ų110.152%0.52460%0.598SS.*Hα-helixtrans-76.1-35.9175.1-170.528.4000111.9P1772 C1778 Q1779P1772-N1775 WeakPolarHBondContact O-CA 3.4Å; P1772-N1775 WeakPolarHBondContact O-CB 3.45Å; P1772-N1775 PolarHBondContact O-N 2.76Å; N1775-C1778 PolarHBondContact O-N 3.37Å; N1775-Q1779 WeakPolarHBondContact O-CB 3.18Å; N1775-Q1779 WeakPolarHBondContact O-CG 3.28Å; N1775-Q1779 PolarHBondContact O-N 3.42Å
1776I59.7Low53.3Low84 Ų84110.1 Ų110.143%0.43159%0.588SS.*Hα-helixtrans-65.9-43.3172.6-66.3168.6000109.8P1772 T1773 Q1779 I1780P1772-I1776 HydrophobicContact CB-CD1 4.1Å; P1772-I1776 HydrophobicContact CB-CG1 4.45Å; P1772-I1776 WeakPolarHBondContact O-CG1 3.4Å; P1772-I1776 PolarHBondContact O-N 2.92Å; T1773-I1776 PolarHBondContact O-N 3.42Å; I1776-Q1779 PolarHBondContact O-N 3.41Å; I1776-I1780 HydrophobicContact CG2-CD1 3.83Å; I1776-I1780 HydrophobicContact CG2-CG1 4.47Å; I1776-I1780 WeakPolarHBondContact O-CB 3.5Å; I1776-I1780 VanDerWaalsContact O-CG1 3.31Å; I1776-I1780 WeakPolarHBondContact O-CG1 3.26Å; I1776-I1780 PolarHBondContact O-N 3.39Å
1777L56.3Low54.9Low102 Ų102109.5 Ų109.553%0.53458%0.576SS.*Hα-helixtrans-62.2-43.7174.1-165.874.7000110.9T1773 Q1779 I1780 I1781T1773-L1777 WeakPolarHBondContact O-CB 3.46Å; T1773-L1777 PolarHBondContact O-N 2.84Å; L1777-Q1779 PolarHBondContact O-N 2.73Å; L1777-I1780 PolarHBondContact O-N 2.78Å; L1777-I1781 HydrophobicContact CD2-CD1 4.35Å; L1777-I1781 HydrophobicContact CG-CD1 3.93Å; L1777-I1781 WeakPolarHBondContact O-CB 3.38Å; L1777-I1781 WeakPolarHBondContact O-CG1 3.26Å; L1777-I1781 PolarHBondContact O-N 2.78Å
1778C64.8Low56.3Low71 Ų71105 Ų10548%0.4856%0.555SS.*Hα-helixtrans-61.8-37.5172.9-75.70000113.1E1774 N1775 Q1782E1774-C1778 WeakPolarHBondContact O-CB 3.49Å; E1774-C1778 PolarHBondContact O-N 3.41Å; E1774-C1778 PolarHBondContact O-SG 2.96Å; N1775-C1778 PolarHBondContact O-N 3.37Å; C1778-Q1782 VanDerWaalsContact O-CB 3.24Å; C1778-Q1782 WeakPolarHBondContact O-CB 3.38Å; C1778-Q1782 PolarHBondContact O-N 3.16Å
1779Q70Confident58.2Low110 Ų110102.5 Ų102.551%0.51453%0.531SS..Hα-helixtrans-70.5-38.6175.1-75.2174.220.700112.4N1775 I1776 L1777 Q1782 H1783N1775-Q1779 WeakPolarHBondContact O-CB 3.18Å; N1775-Q1779 WeakPolarHBondContact O-CG 3.28Å; N1775-Q1779 PolarHBondContact O-N 3.42Å; I1776-Q1779 PolarHBondContact O-N 3.41Å; L1777-Q1779 PolarHBondContact O-N 2.73Å; Q1779-Q1782 PolarHBondContact O-N 3.47Å; Q1779-H1783 VanDerWaalsContact O-CB 3.25Å; Q1779-H1783 WeakPolarHBondContact O-CB 3.49Å; Q1779-H1783 PolarHBondContact O-N 2.74Å
1780I62.4Low59.8Low88 Ų8897.8 Ų97.845%0.45151%0.514SS..Hα-helixtrans-63.8-47172.9-71.3167.3000109.9I1776 L1777 Q1782 H1783 L1784I1776-I1780 HydrophobicContact CG2-CD1 3.83Å; I1776-I1780 HydrophobicContact CG2-CG1 4.47Å; I1776-I1780 WeakPolarHBondContact O-CB 3.5Å; I1776-I1780 VanDerWaalsContact O-CG1 3.31Å; I1776-I1780 WeakPolarHBondContact O-CG1 3.26Å; I1776-I1780 PolarHBondContact O-N 3.39Å; L1777-I1780 PolarHBondContact O-N 2.78Å; I1780-Q1782 PolarHBondContact O-N 2.88Å; I1780-H1783 PolarHBondContact O-N 3.47Å; I1780-L1784 HydrophobicContact CG2-CD1 3.84Å; I1780-L1784 VanDerWaalsContact O-CB 3.26Å; I1780-L1784 WeakPolarHBondContact O-CB 3.28Å; I1780-L1784 WeakPolarHBondContact O-CG 3.46Å; I1780-L1784 PolarHBondContact O-N 2.81Å
1781I68.7Low61.5Low89 Ų8992.6 Ų92.646%0.45649%0.489SS..Hα-helixtrans-61.3-43.1175.1-71.1166000110.8L1777 T1785L1777-I1781 HydrophobicContact CD2-CD1 4.35Å; L1777-I1781 HydrophobicContact CG-CD1 3.93Å; L1777-I1781 WeakPolarHBondContact O-CB 3.38Å; L1777-I1781 WeakPolarHBondContact O-CG1 3.26Å; L1777-I1781 PolarHBondContact O-N 2.78Å; I1781-T1785 VanDerWaalsContact O-CB 3.24Å; I1781-T1785 WeakPolarHBondContact O-CB 3.3Å; I1781-T1785 PolarHBondContact O-N 2.9Å; I1781-T1785 PolarHBondContact O-OG1 3.42Å
1782Q71.4Confident63.2Low112 Ų11291 Ų9152%0.52348%0.479SS..Hα-helixtrans-67.6-43.8178.5-177.3175.9-16.100111.6C1778 Q1779 I1780 T1785 E1786C1778-Q1782 VanDerWaalsContact O-CB 3.24Å; C1778-Q1782 WeakPolarHBondContact O-CB 3.38Å; C1778-Q1782 PolarHBondContact O-N 3.16Å; Q1779-Q1782 PolarHBondContact O-N 3.47Å; I1780-Q1782 PolarHBondContact O-N 2.88Å; Q1782-T1785 CarbonylContact O-C 3.54Å; Q1782-T1785 WeakPolarHBondContact O-CB 3.42Å; Q1782-T1785 PolarHBondContact O-N 3.3Å; Q1782-T1785 VanDerWaalsContact O-N 3.15Å; Q1782-E1786 HydrophobicContact CG-CG 4.44Å; Q1782-E1786 WeakPolarHBondContact CG-OE1 3.13Å; Q1782-E1786 PolarHBondContact NE2-OE1 2.81Å; Q1782-E1786 WeakPolarHBondContact O-CB 3.49Å; Q1782-E1786 WeakPolarHBondContact O-CG 3.24Å; Q1782-E1786 PolarHBondContact O-N 2.76Å
1783H67.1Low64.5Low100 Ų10094.6 Ų94.646%0.46348%0.482SS..Hα-helixtrans-69.5-34.7178.5-173.9-108.4000112.1Q1779 I1780 R1787Q1779-H1783 VanDerWaalsContact O-CB 3.25Å; Q1779-H1783 WeakPolarHBondContact O-CB 3.49Å; Q1779-H1783 PolarHBondContact O-N 2.74Å; I1780-H1783 PolarHBondContact O-N 3.47Å; H1783-R1787 WeakPolarHBondContact O-CB 3.37Å; H1783-R1787 WeakPolarHBondContact O-CG 3.37Å; H1783-R1787 PolarHBondContact O-N 2.9Å
1784L63.5Low65.8Low68 Ų6898.7 Ų98.736%0.35649%0.485SS..Hα-helixtrans-61.7-48.3165.4-79.6165.3000110.6L1728 I1780 E1786 R1787 V1788L1728-L1784 HydrophobicContact CD1-CD2 4.33Å; I1780-L1784 HydrophobicContact CG2-CD1 3.84Å; I1780-L1784 VanDerWaalsContact O-CB 3.26Å; I1780-L1784 WeakPolarHBondContact O-CB 3.28Å; I1780-L1784 WeakPolarHBondContact O-CG 3.46Å; I1780-L1784 PolarHBondContact O-N 2.81Å; L1784-E1786 VanDerWaalsContact C-N 3.32Å; L1784-E1786 PolarHBondContact O-N 2.71Å; L1784-R1787 PolarHBondContact O-N 3.44Å; L1784-V1788 WeakPolarHBondContact O-CB 3.31Å; L1784-V1788 VanDerWaalsContact O-CG2 3.25Å; L1784-V1788 WeakPolarHBondContact O-CG2 3.34Å; L1784-V1788 PolarHBondContact O-N 2.72Å
1785T70Confident66.9Low76 Ų7692.7 Ų92.747%0.46646%0.457SS..Hα-helixtrans-61.8-38179.6-58.70000111.8I1781 Q1782 S1789I1781-T1785 VanDerWaalsContact O-CB 3.24Å; I1781-T1785 WeakPolarHBondContact O-CB 3.3Å; I1781-T1785 PolarHBondContact O-N 2.9Å; I1781-T1785 PolarHBondContact O-OG1 3.42Å; Q1782-T1785 CarbonylContact O-C 3.54Å; Q1782-T1785 WeakPolarHBondContact O-CB 3.42Å; Q1782-T1785 PolarHBondContact O-N 3.3Å; Q1782-T1785 VanDerWaalsContact O-N 3.15Å; T1785-S1789 WeakPolarHBondContact O-CB 3.38Å; T1785-S1789 PolarHBondContact O-N 2.82Å; T1785-S1789 PolarHBondContact O-OG 2.84Å
1786E71.7Confident67.6Low106 Ų10692.7 Ų92.750%0.49546%0.458SS..Hα-helixtrans-72.7-40.1176.7-75.6176.8-159.800112Q1782 L1784 S1789 A1790Q1782-E1786 HydrophobicContact CG-CG 4.44Å; Q1782-E1786 WeakPolarHBondContact CG-OE1 3.13Å; Q1782-E1786 PolarHBondContact NE2-OE1 2.81Å; Q1782-E1786 WeakPolarHBondContact O-CB 3.49Å; Q1782-E1786 WeakPolarHBondContact O-CG 3.24Å; Q1782-E1786 PolarHBondContact O-N 2.76Å; L1784-E1786 VanDerWaalsContact C-N 3.32Å; L1784-E1786 PolarHBondContact O-N 2.71Å; E1786-S1789 CarbonylContact O-C 3.56Å; E1786-S1789 PolarHBondContact O-N 3.45Å; E1786-A1790 WeakPolarHBondContact O-CB 3.32Å; E1786-A1790 PolarHBondContact O-N 3.36Å
1787R66.2Low68.2Low129 Ų12995.7 Ų95.749%0.48747%0.47SS..Hα-helixtrans-68.2-41.9173.4-74.3-17770.9110.3-4.5112.1H1783 L1784 A1790 F1791H1783-R1787 WeakPolarHBondContact O-CB 3.37Å; H1783-R1787 WeakPolarHBondContact O-CG 3.37Å; H1783-R1787 PolarHBondContact O-N 2.9Å; L1784-R1787 PolarHBondContact O-N 3.44Å; R1787-A1790 PolarHBondContact O-N 3.06Å; R1787-F1791 WeakPolarHBondContact O-CB 3.4Å; R1787-F1791 PolarHBondContact O-N 2.82Å
1788V64.8Low68.6Low72 Ų7296.3 Ų96.344%0.43647%0.468SS..Hα-helixtrans-61.5-44.9170.2171.70000109.9L1784 A1790 F1791 M1792L1784-V1788 WeakPolarHBondContact O-CB 3.31Å; L1784-V1788 VanDerWaalsContact O-CG2 3.25Å; L1784-V1788 WeakPolarHBondContact O-CG2 3.34Å; L1784-V1788 PolarHBondContact O-N 2.72Å; V1788-A1790 PolarHBondContact O-N 3.46Å; V1788-F1791 CarbonylContact O-C 3.55Å; V1788-F1791 WeakPolarHBondContact O-CB 3.45Å; V1788-F1791 PolarHBondContact O-N 3.46Å; V1788-F1791 VanDerWaalsContact O-N 3.16Å; V1788-M1792 HydrophobicContact CG1-CG 3.86Å; V1788-M1792 WeakPolarHBondContact O-CB 3.49Å; V1788-M1792 WeakPolarHBondContact O-CG 3.24Å; V1788-M1792 PolarHBondContact O-N 2.87Å
1789S71.7Confident69Low52 Ų5297.2 Ų97.236%0.36446%0.461SS..Hα-helixtrans-69.5-12.5176.7-59.10000114.1T1785 E1786 R1793T1785-S1789 WeakPolarHBondContact O-CB 3.38Å; T1785-S1789 PolarHBondContact O-N 2.82Å; T1785-S1789 PolarHBondContact O-OG 2.84Å; E1786-S1789 CarbonylContact O-C 3.56Å; E1786-S1789 PolarHBondContact O-N 3.45Å; S1789-R1793 PolarHBondContact O-NE 3.37Å; S1789-R1793 PolarHBondContact O-NH2 3.39Å
1790A69.5Low69.4Low52 Ų5298.2 Ų98.243%0.4346%0.464SS..Hα-helixtrans-91.2-39.4169.400000111.1E1786 R1787 V1788 R1793 R1794E1786-A1790 WeakPolarHBondContact O-CB 3.32Å; E1786-A1790 PolarHBondContact O-N 3.36Å; R1787-A1790 PolarHBondContact O-N 3.06Å; V1788-A1790 PolarHBondContact O-N 3.46Å; A1790-R1793 PolarHBondContact O-N 2.96Å; A1790-R1794 PolarHBondContact O-N 2.7Å
1791F66.4Low69.8Low81 Ų8197.6 Ų97.636%0.35547%0.467SS..Hα-helixtrans-58.5-61170.5-176.2-89.4000110.2R1787 V1788 R1793 R1794 E1795R1787-F1791 WeakPolarHBondContact O-CB 3.4Å; R1787-F1791 PolarHBondContact O-N 2.82Å; V1788-F1791 CarbonylContact O-C 3.55Å; V1788-F1791 WeakPolarHBondContact O-CB 3.45Å; V1788-F1791 PolarHBondContact O-N 3.46Å; V1788-F1791 VanDerWaalsContact O-N 3.16Å; F1791-R1793 PolarHBondContact O-N 2.78Å; F1791-R1794 CarbonylContact O-C 3.49Å; F1791-R1794 WeakPolarHBondContact O-CA 3.33Å; F1791-R1794 WeakPolarHBondContact O-CB 3.48Å; F1791-R1794 PolarHBondContact O-N 2.9Å; F1791-E1795 HydrophobicContact CD1-CB 4.49Å; F1791-E1795 WeakPolarHBondContact CD1-OE2 2.92Å; F1791-E1795 HydrophobicContact CE1-CG 4.46Å; F1791-E1795 VanDerWaalsContact CE1-OE2 3.25Å; F1791-E1795 WeakPolarHBondContact CE1-OE2 3.43Å; F1791-E1795 VanDerWaalsContact O-CB 3.25Å; F1791-E1795 WeakPolarHBondContact O-CB 3.39Å; F1791-E1795 PolarHBondContact O-N 2.7Å
1792M69.5Low69.8Low83 Ų8397.1 Ų97.141%0.40947%0.465SS..Hα-helixtrans-49.4-29.5175.9-67.4-63.5-44.700113.9V1788 D1796V1788-M1792 HydrophobicContact CG1-CG 3.86Å; V1788-M1792 WeakPolarHBondContact O-CB 3.49Å; V1788-M1792 WeakPolarHBondContact O-CG 3.24Å; V1788-M1792 PolarHBondContact O-N 2.87Å; M1792-D1796 WeakPolarHBondContact O-CB 3.14Å; M1792-D1796 PolarHBondContact O-N 2.78Å
1793R73.4Confident70.1Confident158 Ų15895.9 Ų95.960%0.59646%0.461SS*.Hα-helixtrans-82.9-38.5175.8-88.9-178.7-68.2166.11.3113.4S1789 A1790 F1791 D1796 E1797S1789-R1793 PolarHBondContact O-NE 3.37Å; S1789-R1793 PolarHBondContact O-NH2 3.39Å; A1790-R1793 PolarHBondContact O-N 2.96Å; F1791-R1793 PolarHBondContact O-N 2.78Å; R1793-D1796 PolarHBondContact O-N 2.95Å; R1793-E1797 WeakPolarHBondContact O-CB 3.11Å; R1793-E1797 WeakPolarHBondContact O-CG 3.02Å; R1793-E1797 PolarHBondContact O-N 2.79Å
1794R70.9Confident70.5Confident192 Ų19295.2 Ų95.273%0.72546%0.46SS*.Hα-helixtrans-65.4-32.3168.1-179.3173.9-66.6168.9-1.2110.9A1790 F1791 F1798A1790-R1794 PolarHBondContact O-N 2.7Å; F1791-R1794 CarbonylContact O-C 3.49Å; F1791-R1794 WeakPolarHBondContact O-CA 3.33Å; F1791-R1794 WeakPolarHBondContact O-CB 3.48Å; F1791-R1794 PolarHBondContact O-N 2.9Å; R1794-F1798 WeakPolarHBondContact O-CB 3.45Å; R1794-F1798 PolarHBondContact O-N 2.78Å
1795E68.1Low71Confident23 Ų2394.9 Ų94.911%0.10746%0.461CS..Hα-helixtrans-72.4-38.9174.3-165.2-156121.500111F1791 F1798 R1799F1791-E1795 HydrophobicContact CD1-CB 4.49Å; F1791-E1795 WeakPolarHBondContact CD1-OE2 2.92Å; F1791-E1795 HydrophobicContact CE1-CG 4.46Å; F1791-E1795 VanDerWaalsContact CE1-OE2 3.25Å; F1791-E1795 WeakPolarHBondContact CE1-OE2 3.43Å; F1791-E1795 VanDerWaalsContact O-CB 3.25Å; F1791-E1795 WeakPolarHBondContact O-CB 3.39Å; F1791-E1795 PolarHBondContact O-N 2.7Å; E1795-F1798 CarbonylContact O-C 3.52Å; E1795-F1798 PolarHBondContact O-N 2.88Å; E1795-R1799 WeakPolarHBondContact O-CA 3.46Å; E1795-R1799 WeakPolarHBondContact O-CB 3.25Å; E1795-R1799 WeakPolarHBondContact O-CG 3.47Å; E1795-R1799 PolarHBondContact O-N 2.7Å; E1795-R1799 IonicContact OE1-CZ 2.59Å; E1795-R1799 IonicContact OE1-NE 3.48Å; E1795-R1799 PolarHBondContact OE1-NE 3.37Å; E1795-R1799 IonicContact OE1-NH2 3.37Å; E1795-R1799 PolarHBondContact OE1-NH2 3.49Å
1796D73.5Confident71.2Confident99 Ų9995.5 Ų95.553%0.52946%0.461SS..Hα-helixtrans-64.7-41.5168.8-92.4-22.3000111.7M1792 R1793 K1800M1792-D1796 WeakPolarHBondContact O-CB 3.14Å; M1792-D1796 PolarHBondContact O-N 2.78Å; R1793-D1796 PolarHBondContact O-N 2.95Å; D1796-K1800 VanDerWaalsContact O-CB 3.29Å; D1796-K1800 WeakPolarHBondContact O-CB 3.46Å; D1796-K1800 PolarHBondContact O-N 2.65Å
1797E73.1Confident71.5Confident146 Ų14695.8 Ų95.868%0.68246%0.463SS*.Hα-helixtrans-65.5-39.6174.2-74.7175.7168.900111.5R1793 K1800 C1801R1793-E1797 WeakPolarHBondContact O-CB 3.11Å; R1793-E1797 WeakPolarHBondContact O-CG 3.02Å; R1793-E1797 PolarHBondContact O-N 2.79Å; E1797-K1800 PolarHBondContact O-N 2.8Å; E1797-C1801 WeakPolarHBondContact O-CB 3.43Å; E1797-C1801 PolarHBondContact O-N 2.83Å
1798F64.9Low72Confident115 Ų11594.6 Ų94.650%0.50447%0.469SS..Hα-helixtrans-67.4-48.4173.5176.1-101.1000111.6R1794 E1795 K1800 C1801 L1802R1794-F1798 WeakPolarHBondContact O-CB 3.45Å; R1794-F1798 PolarHBondContact O-N 2.78Å; E1795-F1798 CarbonylContact O-C 3.52Å; E1795-F1798 PolarHBondContact O-N 2.88Å; F1798-K1800 PolarHBondContact O-N 2.73Å; F1798-C1801 CarbonylContact O-C 3.55Å; F1798-C1801 WeakPolarHBondContact O-CB 3.13Å; F1798-C1801 PolarHBondContact O-N 3.28Å; F1798-C1801 VanDerWaalsContact O-N 3.11Å; F1798-L1802 HydrophobicContact CE1-CD1 4.43Å; F1798-L1802 HydrophobicContact CE1-CD2 4.47Å; F1798-L1802 HydrophobicContact CZ-CD1 4.11Å; F1798-L1802 VanDerWaalsContact O-CB 3.24Å; F1798-L1802 WeakPolarHBondContact O-CB 3.14Å; F1798-L1802 PolarHBondContact O-N 2.88Å
1799R72.9Confident72.4Confident90 Ų9096.2 Ų96.234%0.3447%0.472SS..Hα-helixtrans-57.6-38.1173.5-77.5174-171.4-82.67110.8E1739 E1795 I1803E1739-R1799 IonicContact OE1-NH2 3.47Å; E1739-R1799 PolarHBondContact OE1-NH2 3.3Å; E1739-R1799 IonicContact OE2-CZ 2.76Å; E1739-R1799 IonicContact OE2-NH1 3.6Å; E1739-R1799 IonicContact OE2-NH2 3.36Å; E1739-R1799 PolarHBondContact OE2-NH2 3.24Å; E1795-R1799 WeakPolarHBondContact O-CA 3.46Å; E1795-R1799 WeakPolarHBondContact O-CB 3.25Å; E1795-R1799 WeakPolarHBondContact O-CG 3.47Å; E1795-R1799 PolarHBondContact O-N 2.7Å; E1795-R1799 IonicContact OE1-CZ 2.59Å; E1795-R1799 IonicContact OE1-NE 3.48Å; E1795-R1799 PolarHBondContact OE1-NE 3.37Å; E1795-R1799 IonicContact OE1-NH2 3.37Å; E1795-R1799 PolarHBondContact OE1-NH2 3.49Å; R1799-I1803 VanDerWaalsContact O-CB 3.29Å; R1799-I1803 WeakPolarHBondContact O-CB 3.15Å; R1799-I1803 WeakPolarHBondContact O-CD1 3.42Å; R1799-I1803 WeakPolarHBondContact O-CG1 3.44Å; R1799-I1803 PolarHBondContact O-N 3.18Å
1800K77.1Confident72.7Confident132 Ų13298.3 Ų98.357%0.57448%0.476SS*.Hα-helixtrans-68.4-46.2174-170.6-170.2169.6-162.20111.4D1796 E1797 F1798 L1802 I1803 D1804D1796-K1800 VanDerWaalsContact O-CB 3.29Å; D1796-K1800 WeakPolarHBondContact O-CB 3.46Å; D1796-K1800 PolarHBondContact O-N 2.65Å; E1797-K1800 PolarHBondContact O-N 2.8Å; F1798-K1800 PolarHBondContact O-N 2.73Å; K1800-L1802 VanDerWaalsContact C-N 3.29Å; K1800-L1802 PolarHBondContact O-N 2.8Å; K1800-I1803 CarbonylContact O-C 3.6Å; K1800-I1803 PolarHBondContact O-N 3.09Å; K1800-I1803 VanDerWaalsContact O-N 3.13Å; K1800-D1804 PolarHBondContact O-N 3.41Å
1801C71.4Confident73Confident74 Ų7498.7 Ų98.750%0.548%0.479SS..Hα-helixtrans-59.9-41.9175.1-170.20000111.3E1797 F1798 D1804 V1805E1797-C1801 WeakPolarHBondContact O-CB 3.43Å; E1797-C1801 PolarHBondContact O-N 2.83Å; F1798-C1801 CarbonylContact O-C 3.55Å; F1798-C1801 WeakPolarHBondContact O-CB 3.13Å; F1798-C1801 PolarHBondContact O-N 3.28Å; F1798-C1801 VanDerWaalsContact O-N 3.11Å; C1801-D1804 PolarHBondContact O-N 3.08Å; C1801-V1805 WeakPolarHBondContact O-CB 3.12Å; C1801-V1805 VanDerWaalsContact O-CG2 3.28Å; C1801-V1805 WeakPolarHBondContact O-CG2 3.32Å; C1801-V1805 PolarHBondContact O-N 2.91Å
1802L69Low73.2Confident79 Ų7997.2 Ų97.241%0.41448%0.479SS..Hα-helixtrans-64.8-36.6173.8-160.482.2000111.5F1798 K1800 L1806F1798-L1802 HydrophobicContact CE1-CD1 4.43Å; F1798-L1802 HydrophobicContact CE1-CD2 4.47Å; F1798-L1802 HydrophobicContact CZ-CD1 4.11Å; F1798-L1802 VanDerWaalsContact O-CB 3.24Å; F1798-L1802 WeakPolarHBondContact O-CB 3.14Å; F1798-L1802 PolarHBondContact O-N 2.88Å; K1800-L1802 VanDerWaalsContact C-N 3.29Å; K1800-L1802 PolarHBondContact O-N 2.8Å; L1802-L1806 HydrophobicContact CD2-CD1 4.26Å; L1802-L1806 HydrophobicContact CG-CD1 4.09Å; L1802-L1806 HydrophobicContact CG-CG 4.5Å; L1802-L1806 WeakPolarHBondContact O-CA 3.34Å; L1802-L1806 WeakPolarHBondContact O-CB 3.08Å; L1802-L1806 WeakPolarHBondContact O-CD1 3.48Å; L1802-L1806 WeakPolarHBondContact O-CG 3.16Å; L1802-L1806 PolarHBondContact O-N 3.3Å
1803I77.9Confident73.5Confident87 Ų8799.6 Ų99.645%0.44649%0.487SS..Hα-helixtrans-69.7-40.1173.1-76.4163.2000111R1799 K1800 L1806 H1807R1799-I1803 VanDerWaalsContact O-CB 3.29Å; R1799-I1803 WeakPolarHBondContact O-CB 3.15Å; R1799-I1803 WeakPolarHBondContact O-CD1 3.42Å; R1799-I1803 WeakPolarHBondContact O-CG1 3.44Å; R1799-I1803 PolarHBondContact O-N 3.18Å; K1800-I1803 CarbonylContact O-C 3.6Å; K1800-I1803 PolarHBondContact O-N 3.09Å; K1800-I1803 VanDerWaalsContact O-N 3.13Å; I1803-L1806 PolarHBondContact O-N 2.86Å; I1803-H1807 WeakPolarHBondContact CG2-ND1 3.34Å; I1803-H1807 PolarHBondContact O-N 3.01Å; I1803-H1807 PolarHBondContact O-ND1 3.19Å
1804D76.1Confident73.7Confident85 Ų8598 Ų9846%0.45549%0.485SS..Hα-helixtrans-69.1-39177.1-70.7-29.8000110.4K1800 C1801 H1807 V1808K1800-D1804 PolarHBondContact O-N 3.41Å; C1801-D1804 PolarHBondContact O-N 3.08Å; D1804-H1807 PolarHBondContact O-N 3.42Å; D1804-V1808 WeakPolarHBondContact O-CG2 3.27Å; D1804-V1808 PolarHBondContact O-N 3.39Å
1805V73.2Confident73.9Confident62 Ų6292.2 Ų92.238%0.37647%0.473SS..Hα-helixtrans-63.2-49.6169.2168.20000110.7C1801 H1807 V1808 E1809C1801-V1805 WeakPolarHBondContact O-CB 3.12Å; C1801-V1805 VanDerWaalsContact O-CG2 3.28Å; C1801-V1805 WeakPolarHBondContact O-CG2 3.32Å; C1801-V1805 PolarHBondContact O-N 2.91Å; V1805-H1807 PolarHBondContact O-N 2.9Å; V1805-V1808 CarbonylContact O-C 3.59Å; V1805-V1808 WeakPolarHBondContact O-CA 3.46Å; V1805-V1808 WeakPolarHBondContact O-CB 3.41Å; V1805-V1808 PolarHBondContact O-N 2.98Å; V1805-E1809 HydrophobicContact CG1-CG 4.13Å; V1805-E1809 WeakPolarHBondContact O-CB 3.17Å; V1805-E1809 WeakPolarHBondContact O-CG 3.25Å; V1805-E1809 PolarHBondContact O-N 3.4Å
1806L74.4Confident74.2Confident89 Ų8995 Ų9547%0.46649%0.486SS..Hα-helixtrans-63.6-23.3177.1-76.6166.4000113L1802 I1803 E1810L1802-L1806 HydrophobicContact CD2-CD1 4.26Å; L1802-L1806 HydrophobicContact CG-CD1 4.09Å; L1802-L1806 HydrophobicContact CG-CG 4.5Å; L1802-L1806 WeakPolarHBondContact O-CA 3.34Å; L1802-L1806 WeakPolarHBondContact O-CB 3.08Å; L1802-L1806 WeakPolarHBondContact O-CD1 3.48Å; L1802-L1806 WeakPolarHBondContact O-CG 3.16Å; L1802-L1806 PolarHBondContact O-N 3.3Å; I1803-L1806 PolarHBondContact O-N 2.86Å; L1806-E1810 WeakPolarHBondContact O-CA 3.49Å; L1806-E1810 WeakPolarHBondContact O-CB 3.33Å; L1806-E1810 PolarHBondContact O-N 2.93Å
1807H78Confident74.4Confident112 Ų11294.4 Ų94.452%0.51948%0.483SS..Hα-helixtrans-79.8-31.5168.7-80.194.7000112.5I1803 D1804 V1805 A1811I1803-H1807 WeakPolarHBondContact CG2-ND1 3.34Å; I1803-H1807 PolarHBondContact O-N 3.01Å; I1803-H1807 PolarHBondContact O-ND1 3.19Å; D1804-H1807 PolarHBondContact O-N 3.42Å; V1805-H1807 PolarHBondContact O-N 2.9Å; H1807-A1811 WeakPolarHBondContact O-CB 3.32Å; H1807-A1811 PolarHBondContact O-N 3.29Å
1808V76.6Confident74.7Confident103 Ų10394 Ų9462%0.62448%0.479SS*.Hα-helixtrans-72.4-37.6171.8170.90000110.7D1804 V1805 A1811 S1812D1804-V1808 WeakPolarHBondContact O-CG2 3.27Å; D1804-V1808 PolarHBondContact O-N 3.39Å; V1805-V1808 CarbonylContact O-C 3.59Å; V1805-V1808 WeakPolarHBondContact O-CA 3.46Å; V1805-V1808 WeakPolarHBondContact O-CB 3.41Å; V1805-V1808 PolarHBondContact O-N 2.98Å; V1808-A1811 PolarHBondContact O-N 3.46Å; V1808-S1812 WeakPolarHBondContact O-CB 3.26Å; V1808-S1812 PolarHBondContact O-N 3.05Å
1809E73.4Confident75.3Confident106 Ų10692.6 Ų92.650%0.49548%0.48SS..Hα-helixtrans-71.2-43171.4-70175.7168.100110.8V1805 A1811 S1812 F1813V1805-E1809 HydrophobicContact CG1-CG 4.13Å; V1805-E1809 WeakPolarHBondContact O-CB 3.17Å; V1805-E1809 WeakPolarHBondContact O-CG 3.25Å; V1805-E1809 PolarHBondContact O-N 3.4Å; E1809-A1811 VanDerWaalsContact C-N 3.3Å; E1809-A1811 PolarHBondContact O-N 3.36Å; E1809-S1812 CarbonylContact O-C 3.6Å; E1809-S1812 PolarHBondContact O-N 3.35Å; E1809-F1813 WeakPolarHBondContact O-CA 3.49Å; E1809-F1813 WeakPolarHBondContact O-CB 3.12Å; E1809-F1813 PolarHBondContact O-N 3.42Å
1810E77.1Confident75.4Confident97 Ų9794.7 Ų94.745%0.45349%0.489SS..Hα-helixtrans-60.9-41.9170.9-164.6-147.2138.600109.8L1806 K1814L1806-E1810 WeakPolarHBondContact O-CA 3.49Å; L1806-E1810 WeakPolarHBondContact O-CB 3.33Å; L1806-E1810 PolarHBondContact O-N 2.93Å; E1810-K1814 WeakPolarHBondContact O-CA 3.33Å; E1810-K1814 WeakPolarHBondContact O-CB 3.47Å; E1810-K1814 PolarHBondContact O-N 3.23Å; E1810-K1814 IonicContact OE1-NZ 2.85Å; E1810-K1814 PolarHBondContact OE1-NZ 3.44Å
1811A77.2Confident75.6Confident59 Ų5991.6 Ų91.649%0.48848%0.481SS..Hα-helixtrans-66.6-39.5176.300000112.6H1807 V1808 E1809 S1815H1807-A1811 WeakPolarHBondContact O-CB 3.32Å; H1807-A1811 PolarHBondContact O-N 3.29Å; V1808-A1811 PolarHBondContact O-N 3.46Å; E1809-A1811 VanDerWaalsContact C-N 3.3Å; E1809-A1811 PolarHBondContact O-N 3.36Å; A1811-S1815 WeakPolarHBondContact O-CB 3.37Å; A1811-S1815 PolarHBondContact O-N 2.84Å; A1811-S1815 PolarHBondContact O-OG 3.12Å
1812S70.4Confident76Confident51 Ų5192.4 Ų92.436%0.35748%0.48SS..Hα-helixtrans-65-63.9175.2-168.10000109.3V1808 E1809 K1814 S1815 E1816V1808-S1812 WeakPolarHBondContact O-CB 3.26Å; V1808-S1812 PolarHBondContact O-N 3.05Å; E1809-S1812 CarbonylContact O-C 3.6Å; E1809-S1812 PolarHBondContact O-N 3.35Å; S1812-K1814 PolarHBondContact O-N 3.35Å; S1812-K1814 VanDerWaalsContact O-N 3.09Å; S1812-S1815 CarbonylContact O-C 3.57Å; S1812-S1815 WeakPolarHBondContact O-CA 3.46Å; S1812-S1815 WeakPolarHBondContact O-CB 3.49Å; S1812-S1815 PolarHBondContact O-N 3.35Å; S1812-S1815 PolarHBondContact O-OG 2.78Å; S1812-E1816 WeakPolarHBondContact O-CB 3.33Å; S1812-E1816 PolarHBondContact O-N 2.63Å
1813F74.8Confident76.4Confident132 Ų13296.1 Ų96.158%0.57949%0.489SS*.Hα-helixtrans-54.7-24.8175.4-167.6-90.9000113.4E1809 L1817E1809-F1813 WeakPolarHBondContact O-CA 3.49Å; E1809-F1813 WeakPolarHBondContact O-CB 3.12Å; E1809-F1813 PolarHBondContact O-N 3.42Å; F1813-L1817 HydrophobicContact CD1-CB 4.46Å; F1813-L1817 HydrophobicContact CE1-CB 4.48Å; F1813-L1817 WeakPolarHBondContact O-CA 3.32Å; F1813-L1817 WeakPolarHBondContact O-CB 3.22Å; F1813-L1817 PolarHBondContact O-N 2.85Å
1814K78.1Confident76.4Confident126 Ų12694.8 Ų94.855%0.54849%0.487SS..Hα-helixtrans-84.2-30.6172.6-172.2179.7-141.9150.80112.6E1810 S1812 K1818E1810-K1814 WeakPolarHBondContact O-CA 3.33Å; E1810-K1814 WeakPolarHBondContact O-CB 3.47Å; E1810-K1814 PolarHBondContact O-N 3.23Å; E1810-K1814 IonicContact OE1-NZ 2.85Å; E1810-K1814 PolarHBondContact OE1-NZ 3.44Å; S1812-K1814 PolarHBondContact O-N 3.35Å; S1812-K1814 VanDerWaalsContact O-N 3.09Å; K1814-K1818 WeakPolarHBondContact O-CB 3.23Å; K1814-K1818 PolarHBondContact O-N 2.8Å
1815S75Confident76.6Confident69 Ų6995.7 Ų95.748%0.48349%0.492SS..Hα-helixtrans-72.9-33.1167.178.70000111.7A1811 S1812 T1819A1811-S1815 WeakPolarHBondContact O-CB 3.37Å; A1811-S1815 PolarHBondContact O-N 2.84Å; A1811-S1815 PolarHBondContact O-OG 3.12Å; S1812-S1815 CarbonylContact O-C 3.57Å; S1812-S1815 WeakPolarHBondContact O-CA 3.46Å; S1812-S1815 WeakPolarHBondContact O-CB 3.49Å; S1812-S1815 PolarHBondContact O-N 3.35Å; S1812-S1815 PolarHBondContact O-OG 2.78Å; S1815-T1819 WeakPolarHBondContact O-CB 3.38Å; S1815-T1819 PolarHBondContact O-N 2.78Å; S1815-T1819 PolarHBondContact O-OG1 3.19Å
1816E73.7Confident76.8Confident81 Ų8195.5 Ų95.538%0.37950%0.497SS..Hα-helixtrans-78.1-47.4178.7-149.3178.4168.300109.8S1812 K1818 T1819 Y1820S1812-E1816 WeakPolarHBondContact O-CB 3.33Å; S1812-E1816 PolarHBondContact O-N 2.63Å; E1816-K1818 VanDerWaalsContact C-N 3.27Å; E1816-K1818 PolarHBondContact O-N 3.48Å; E1816-T1819 CarbonylContact O-C 3.41Å; E1816-T1819 VanDerWaalsContact O-CA 3.28Å; E1816-T1819 WeakPolarHBondContact O-CA 3.39Å; E1816-T1819 WeakPolarHBondContact O-CB 3.19Å; E1816-T1819 PolarHBondContact O-N 3.38Å; E1816-Y1820 HydrophobicContact CB-CD2 4.48Å; E1816-Y1820 HydrophobicContact CB-CE2 4.48Å; E1816-Y1820 HydrophobicContact CG-CD2 4.04Å; E1816-Y1820 HydrophobicContact CG-CE2 3.67Å; E1816-Y1820 WeakPolarHBondContact O-CB 3.18Å; E1816-Y1820 WeakPolarHBondContact O-CD2 3.3Å; E1816-Y1820 PolarHBondContact O-N 2.98Å
1817L78.2Confident76.8Confident88 Ų8894.7 Ų94.746%0.46149%0.492SS..Hα-helixtrans-58.6-36.3167.4-175.672.2000111.1F1813 T1819 Y1820 V1821F1813-L1817 HydrophobicContact CD1-CB 4.46Å; F1813-L1817 HydrophobicContact CE1-CB 4.48Å; F1813-L1817 WeakPolarHBondContact O-CA 3.32Å; F1813-L1817 WeakPolarHBondContact O-CB 3.22Å; F1813-L1817 PolarHBondContact O-N 2.85Å; L1817-T1819 VanDerWaalsContact C-N 3.3Å; L1817-T1819 PolarHBondContact O-N 3.49Å; L1817-Y1820 CarbonylContact O-C 3.57Å; L1817-Y1820 PolarHBondContact O-N 3.3Å; L1817-V1821 HydrophobicContact CG-CG2 4.39Å; L1817-V1821 VanDerWaalsContact O-CB 3.23Å; L1817-V1821 WeakPolarHBondContact O-CB 3.44Å; L1817-V1821 WeakPolarHBondContact O-CG2 3.06Å; L1817-V1821 PolarHBondContact O-N 2.86Å
1818K80Confident77Confident136 Ų13692 Ų9259%0.59148%0.484SS*.Hα-helixtrans-68.1-31.2170.6-174.6170.7-177.1177.60112.1K1814 E1816 N1822K1814-K1818 WeakPolarHBondContact O-CB 3.23Å; K1814-K1818 PolarHBondContact O-N 2.8Å; E1816-K1818 VanDerWaalsContact C-N 3.27Å; E1816-K1818 PolarHBondContact O-N 3.48Å; K1818-N1822 VanDerWaalsContact O-CB 3.3Å; K1818-N1822 WeakPolarHBondContact O-CB 3Å; K1818-N1822 PolarHBondContact O-N 2.84Å; K1818-N1822 PolarHBondContact O-ND2 3.41Å; K1818-N1822 PolarHBondContact O-OD1 2.86Å
1819T77.4Confident77.1Confident87 Ų8788.6 Ų88.653%0.53447%0.47SS..Hα-helixtrans-76.3-35.5174.7-57.20000111.5S1815 E1816 L1817 R1823S1815-T1819 WeakPolarHBondContact O-CB 3.38Å; S1815-T1819 PolarHBondContact O-N 2.78Å; S1815-T1819 PolarHBondContact O-OG1 3.19Å; E1816-T1819 CarbonylContact O-C 3.41Å; E1816-T1819 VanDerWaalsContact O-CA 3.28Å; E1816-T1819 WeakPolarHBondContact O-CA 3.39Å; E1816-T1819 WeakPolarHBondContact O-CB 3.19Å; E1816-T1819 PolarHBondContact O-N 3.38Å; L1817-T1819 VanDerWaalsContact C-N 3.3Å; L1817-T1819 PolarHBondContact O-N 3.49Å; T1819-R1823 WeakPolarHBondContact O-CA 3.42Å; T1819-R1823 WeakPolarHBondContact O-CB 3.24Å; T1819-R1823 PolarHBondContact O-N 2.75Å
1820Y74.7Confident77.2Confident133 Ų13387.3 Ų87.352%0.52246%0.464SS..Hα-helixtrans-72.2-30.8170.7-76.1-63.1000111.8E1816 L1817 R1823 S1824E1816-Y1820 HydrophobicContact CB-CD2 4.48Å; E1816-Y1820 HydrophobicContact CB-CE2 4.48Å; E1816-Y1820 HydrophobicContact CG-CD2 4.04Å; E1816-Y1820 HydrophobicContact CG-CE2 3.67Å; E1816-Y1820 WeakPolarHBondContact O-CB 3.18Å; E1816-Y1820 WeakPolarHBondContact O-CD2 3.3Å; E1816-Y1820 PolarHBondContact O-N 2.98Å; L1817-Y1820 CarbonylContact O-C 3.57Å; L1817-Y1820 PolarHBondContact O-N 3.3Å; Y1820-R1823 CarbonylContact O-C 3.6Å; Y1820-S1824 WeakPolarHBondContact O-CA 3.38Å; Y1820-S1824 WeakPolarHBondContact O-CB 3.44Å; Y1820-S1824 PolarHBondContact O-N 3.34Å
1821V80.6Confident77.3Confident67 Ų6787.9 Ų87.941%0.40647%0.468SS..Hα-helixtrans-74.3-46.7170.9166.10000109.5L1817 R1823 S1824 D1825L1817-V1821 HydrophobicContact CG-CG2 4.39Å; L1817-V1821 VanDerWaalsContact O-CB 3.23Å; L1817-V1821 WeakPolarHBondContact O-CB 3.44Å; L1817-V1821 WeakPolarHBondContact O-CG2 3.06Å; L1817-V1821 PolarHBondContact O-N 2.86Å; V1821-R1823 VanDerWaalsContact C-N 3.27Å; V1821-R1823 PolarHBondContact O-N 3.31Å; V1821-S1824 CarbonylContact O-C 3.35Å; V1821-S1824 PolarHBondContact O-N 2.82Å; V1821-S1824 VanDerWaalsContact O-N 3.07Å; V1821-D1825 WeakPolarHBondContact O-CB 3.37Å; V1821-D1825 VanDerWaalsContact O-CG 3.32Å; V1821-D1825 PolarHBondContact O-N 3.38Å
1822N80Confident77.4Confident92 Ų9289.5 Ų89.549%0.49247%0.468SS..Hα-helixtrans-60.3-38171.8-71-11.2000112K1818 A1826K1818-N1822 VanDerWaalsContact O-CB 3.3Å; K1818-N1822 WeakPolarHBondContact O-CB 3Å; K1818-N1822 PolarHBondContact O-N 2.84Å; K1818-N1822 PolarHBondContact O-ND2 3.41Å; K1818-N1822 PolarHBondContact O-OD1 2.86Å; N1822-A1826 VanDerWaalsContact O-CB 3.29Å; N1822-A1826 WeakPolarHBondContact O-CB 3.41Å; N1822-A1826 PolarHBondContact O-N 3.1Å
1823R78Confident77.9Confident157 Ų15794.5 Ų94.559%0.59248%0.48SS*.Hα-helixtrans-75-27.4174.9-174.9173.2179.3153.40.6111.5T1819 Y1820 V1821 L1827T1819-R1823 WeakPolarHBondContact O-CA 3.42Å; T1819-R1823 WeakPolarHBondContact O-CB 3.24Å; T1819-R1823 PolarHBondContact O-N 2.75Å; Y1820-R1823 CarbonylContact O-C 3.6Å; V1821-R1823 VanDerWaalsContact C-N 3.27Å; V1821-R1823 PolarHBondContact O-N 3.31Å; R1823-L1827 HydrophobicContact CG-CD1 3.97Å; R1823-L1827 HydrophobicContact CG-CG 4.3Å; R1823-L1827 WeakPolarHBondContact O-CA 3.39Å; R1823-L1827 WeakPolarHBondContact O-CB 3.46Å; R1823-L1827 WeakPolarHBondContact O-CD1 3.24Å; R1823-L1827 WeakPolarHBondContact O-CG 3.22Å; R1823-L1827 PolarHBondContact O-N 3.49Å
1824S78.1Confident77.9Confident58 Ų5891 Ų9141%0.40647%0.467SS..Hα-helixtrans-75.8-41.6173-177.80000110.1Y1820 V1821 A1826 L1827 V1828Y1820-S1824 WeakPolarHBondContact O-CA 3.38Å; Y1820-S1824 WeakPolarHBondContact O-CB 3.44Å; Y1820-S1824 PolarHBondContact O-N 3.34Å; V1821-S1824 CarbonylContact O-C 3.35Å; V1821-S1824 PolarHBondContact O-N 2.82Å; V1821-S1824 VanDerWaalsContact O-N 3.07Å; S1824-A1826 VanDerWaalsContact C-N 3.3Å; S1824-A1826 PolarHBondContact O-N 2.7Å; S1824-L1827 CarbonylContact O-C 3.56Å; S1824-L1827 PolarHBondContact O-N 2.93Å; S1824-V1828 WeakPolarHBondContact O-CA 3.36Å; S1824-V1828 WeakPolarHBondContact O-CB 2.96Å; S1824-V1828 WeakPolarHBondContact O-CG2 3.5Å; S1824-V1828 PolarHBondContact O-N 3.45Å
1825D79.6Confident78.1Confident104 Ų10488.5 Ų88.556%0.55646%0.462SS*.Hα-helixtrans-62.7-38.4170.9-69.9-28.3000110.8V1821 G1829V1821-D1825 WeakPolarHBondContact O-CB 3.37Å; V1821-D1825 VanDerWaalsContact O-CG 3.32Å; V1821-D1825 PolarHBondContact O-N 3.38Å; D1825-G1829 PolarHBondContact O-N 2.8Å
1826A76.8Confident78.4Confident58 Ų5892.8 Ų92.848%0.47947%0.472SS..Hα-helixtrans-69.1-43.5171.400000112.3N1822 S1824 V1828 G1829 E1830N1822-A1826 VanDerWaalsContact O-CB 3.29Å; N1822-A1826 WeakPolarHBondContact O-CB 3.41Å; N1822-A1826 PolarHBondContact O-N 3.1Å; S1824-A1826 VanDerWaalsContact C-N 3.3Å; S1824-A1826 PolarHBondContact O-N 2.7Å; A1826-V1828 VanDerWaalsContact C-N 3.28Å; A1826-V1828 PolarHBondContact O-N 2.9Å; A1826-G1829 CarbonylContact O-C 3.49Å; A1826-G1829 PolarHBondContact O-N 2.7Å; A1826-E1830 PolarHBondContact O-N 2.65Å
1827L76.1Confident78.6Confident72 Ų7292.8 Ų92.838%0.37748%0.477SS..Hα-helixtrans-71.6-18.7174.8-77.4169000112.6R1823 S1824 M1831R1823-L1827 HydrophobicContact CG-CD1 3.97Å; R1823-L1827 HydrophobicContact CG-CG 4.3Å; R1823-L1827 WeakPolarHBondContact O-CA 3.39Å; R1823-L1827 WeakPolarHBondContact O-CB 3.46Å; R1823-L1827 WeakPolarHBondContact O-CD1 3.24Å; R1823-L1827 WeakPolarHBondContact O-CG 3.22Å; R1823-L1827 PolarHBondContact O-N 3.49Å; S1824-L1827 CarbonylContact O-C 3.56Å; S1824-L1827 PolarHBondContact O-N 2.93Å; L1827-M1831 VanDerWaalsContact O-CA 3.32Å; L1827-M1831 WeakPolarHBondContact O-CA 3.2Å; L1827-M1831 WeakPolarHBondContact O-CB 3.44Å; L1827-M1831 PolarHBondContact O-N 3.36Å
1828V81.4Confident78.6Confident55 Ų5591.8 Ų91.833%0.33348%0.475SS..Hα-helixtrans-87.7-31.1171.3165.80000109S1824 A1826 M1831 N1832S1824-V1828 WeakPolarHBondContact O-CA 3.36Å; S1824-V1828 WeakPolarHBondContact O-CB 2.96Å; S1824-V1828 WeakPolarHBondContact O-CG2 3.5Å; S1824-V1828 PolarHBondContact O-N 3.45Å; A1826-V1828 VanDerWaalsContact C-N 3.28Å; A1826-V1828 PolarHBondContact O-N 2.9Å; V1828-M1831 HydrophobicContact CG2-CE 4.15Å; V1828-N1832 WeakPolarHBondContact CG1-ND2 3.42Å; V1828-N1832 WeakPolarHBondContact O-CB 3.17Å; V1828-N1832 PolarHBondContact O-N 3.34Å; V1828-N1832 PolarHBondContact O-ND2 3.3Å
1829G78.1Confident78.6Confident33 Ų3388.6 Ų88.634%0.3447%0.469SS..Hα-helixtrans-61.4-51.7164.400000111.4D1825 A1826 N1832 R1833D1825-G1829 PolarHBondContact O-N 2.8Å; A1826-G1829 CarbonylContact O-C 3.49Å; A1826-G1829 PolarHBondContact O-N 2.7Å; G1829-N1832 PolarHBondContact O-N 3.01Å; G1829-R1833 WeakPolarHBondContact O-CG 3.16Å; G1829-R1833 PolarHBondContact O-N 3.44Å
1830E76.4Confident78.7Confident78 Ų7887 Ų8736%0.36446%0.461SS..Hα-helixtrans-71.6-31.1174.8-62.8-45.713500112.6A1826 R1833 L1834A1826-E1830 PolarHBondContact O-N 2.65Å; E1830-R1833 VanDerWaalsContact CD-NH1 3.3Å; E1830-R1833 CarbonylContact O-C 3.59Å; E1830-R1833 WeakPolarHBondContact O-CB 3.34Å; E1830-R1833 PolarHBondContact O-N 2.67Å; E1830-R1833 IonicContact OE1-CZ 3.17Å; E1830-R1833 IonicContact OE1-NE 2.67Å; E1830-R1833 IonicContact OE1-NH1 2.77Å; E1830-R1833 PolarHBondContact OE1-NH1 2.77Å; E1830-R1833 WeakPolarHBondContact OE2-CD 2.97Å; E1830-R1833 IonicContact OE2-CZ 2.62Å; E1830-R1833 IonicContact OE2-NE 3.41Å; E1830-R1833 IonicContact OE2-NH1 2.7Å; E1830-R1833 PolarHBondContact OE2-NH1 3.24Å; E1830-R1833 VanDerWaalsContact OE2-NH1 3.09Å; E1830-L1834 WeakPolarHBondContact O-CA 3.2Å; E1830-L1834 WeakPolarHBondContact O-CB 3.22Å; E1830-L1834 PolarHBondContact O-N 3.32Å
1831M78.5Confident78.8Confident109 Ų10984.9 Ų84.954%0.53746%0.459SS..Hα-helixtrans-76.5-23.1172-177.1169.264.300112.2L1827 V1828 T1835L1827-M1831 VanDerWaalsContact O-CA 3.32Å; L1827-M1831 WeakPolarHBondContact O-CA 3.2Å; L1827-M1831 WeakPolarHBondContact O-CB 3.44Å; L1827-M1831 PolarHBondContact O-N 3.36Å; V1828-M1831 HydrophobicContact CG2-CE 4.15Å; M1831-T1835 WeakPolarHBondContact O-CA 3.41Å; M1831-T1835 WeakPolarHBondContact O-CB 3.02Å; M1831-T1835 PolarHBondContact O-N 2.62Å; M1831-T1835 PolarHBondContact O-OG1 3.17Å
1832N80.2Confident78.7Confident94 Ų9484.2 Ų84.250%0.50346%0.457SS..Hα-helixtrans-75.2-34.9166.8-86.3-72.8000111.3V1828 G1829 K1836V1828-N1832 WeakPolarHBondContact CG1-ND2 3.42Å; V1828-N1832 WeakPolarHBondContact O-CB 3.17Å; V1828-N1832 PolarHBondContact O-N 3.34Å; V1828-N1832 PolarHBondContact O-ND2 3.3Å; G1829-N1832 PolarHBondContact O-N 3.01Å; N1832-K1836 WeakPolarHBondContact O-CG 3.33Å; N1832-K1836 PolarHBondContact O-N 2.7Å; N1832-K1836 VanDerWaalsContact O-N 3.07Å
1833R79.3Confident78.7Confident156 Ų15686.7 Ų86.759%0.58947%0.466SS*.Hα-helixtrans-66.3-43.6168.5-73.9167.1167-168.91.2111.2G1829 E1830 K1836 V1837G1829-R1833 WeakPolarHBondContact O-CG 3.16Å; G1829-R1833 PolarHBondContact O-N 3.44Å; E1830-R1833 VanDerWaalsContact CD-NH1 3.3Å; E1830-R1833 CarbonylContact O-C 3.59Å; E1830-R1833 WeakPolarHBondContact O-CB 3.34Å; E1830-R1833 PolarHBondContact O-N 2.67Å; E1830-R1833 IonicContact OE1-CZ 3.17Å; E1830-R1833 IonicContact OE1-NE 2.67Å; E1830-R1833 IonicContact OE1-NH1 2.77Å; E1830-R1833 PolarHBondContact OE1-NH1 2.77Å; E1830-R1833 WeakPolarHBondContact OE2-CD 2.97Å; E1830-R1833 IonicContact OE2-CZ 2.62Å; E1830-R1833 IonicContact OE2-NE 3.41Å; E1830-R1833 IonicContact OE2-NH1 2.7Å; E1830-R1833 PolarHBondContact OE2-NH1 3.24Å; E1830-R1833 VanDerWaalsContact OE2-NH1 3.09Å; R1833-K1836 CarbonylContact O-C 3.5Å; R1833-K1836 WeakPolarHBondContact O-CA 3.34Å; R1833-K1836 WeakPolarHBondContact O-CB 3.2Å; R1833-K1836 PolarHBondContact O-N 2.67Å; R1833-K1836 VanDerWaalsContact O-N 3.16Å; R1833-V1837 WeakPolarHBondContact O-CG2 3.25Å; R1833-V1837 PolarHBondContact O-N 3.37Å
1834L76.7Confident78.6Confident59 Ų5984.6 Ų84.631%0.30946%0.463SS..Hα-helixtrans-73.8-32.2-179.6-163.971.7000111.1L530 E1830 K1836 V1837 V1838L530-L1834 HydrophobicContact CD1-CD1 3.66Å; L530-L1834 HydrophobicContact CD1-CD2 3.63Å; L530-L1834 HydrophobicContact CD1-CG 4.31Å; L530-L1834 HydrophobicContact CD2-CD1 4.26Å; E1830-L1834 WeakPolarHBondContact O-CA 3.2Å; E1830-L1834 WeakPolarHBondContact O-CB 3.22Å; E1830-L1834 PolarHBondContact O-N 3.32Å; L1834-K1836 VanDerWaalsContact C-N 3.3Å; L1834-K1836 PolarHBondContact O-N 3.37Å; L1834-V1837 HydrophobicContact CD1-CB 4.43Å; L1834-V1837 CarbonylContact O-C 3.52Å; L1834-V1837 PolarHBondContact O-N 3.21Å; L1834-V1838 HydrophobicContact CG-CG2 4.21Å; L1834-V1838 WeakPolarHBondContact O-CA 3.38Å; L1834-V1838 WeakPolarHBondContact O-CB 3.28Å; L1834-V1838 WeakPolarHBondContact O-CG2 3.48Å; L1834-V1838 PolarHBondContact O-N 3.49Å
1835T81Confident78.5Confident73 Ų7385.4 Ų85.445%0.44846%0.462SS..Hα-helixtrans-66.5-33.8168.3-62.60000110.4M1831 S1839M1831-T1835 WeakPolarHBondContact O-CA 3.41Å; M1831-T1835 WeakPolarHBondContact O-CB 3.02Å; M1831-T1835 PolarHBondContact O-N 2.62Å; M1831-T1835 PolarHBondContact O-OG1 3.17Å; T1835-S1839 WeakPolarHBondContact O-CA 3.36Å; T1835-S1839 WeakPolarHBondContact O-CB 3.31Å; T1835-S1839 PolarHBondContact O-N 2.92Å; T1835-S1839 PolarHBondContact O-OG 3.2Å
1836K82.1Confident78.4Confident158 Ų15885 Ų8569%0.68746%0.46SS*.Hα-helixtrans-71.3-39.7170.9-74.7176.1-179.3-173.50112.7N1832 R1833 L1834 S1839 S1840N1832-K1836 WeakPolarHBondContact O-CG 3.33Å; N1832-K1836 PolarHBondContact O-N 2.7Å; N1832-K1836 VanDerWaalsContact O-N 3.07Å; R1833-K1836 CarbonylContact O-C 3.5Å; R1833-K1836 WeakPolarHBondContact O-CA 3.34Å; R1833-K1836 WeakPolarHBondContact O-CB 3.2Å; R1833-K1836 PolarHBondContact O-N 2.67Å; R1833-K1836 VanDerWaalsContact O-N 3.16Å; L1834-K1836 VanDerWaalsContact C-N 3.3Å; L1834-K1836 PolarHBondContact O-N 3.37Å; K1836-S1839 PolarHBondContact O-N 3.16Å; K1836-S1840 WeakPolarHBondContact O-CB 3.36Å; K1836-S1840 PolarHBondContact O-N 3.25Å
1837V78.1Confident78.6Confident82 Ų8288.4 Ų88.450%0.49747%0.466SS..Hα-helixtrans-64.3-47173.4170.40000109.9R1833 L1834 S1840 L1841R1833-V1837 WeakPolarHBondContact O-CG2 3.25Å; R1833-V1837 PolarHBondContact O-N 3.37Å; L1834-V1837 HydrophobicContact CD1-CB 4.43Å; L1834-V1837 CarbonylContact O-C 3.52Å; L1834-V1837 PolarHBondContact O-N 3.21Å; V1837-S1840 CarbonylContact O-C 3.52Å; V1837-S1840 PolarHBondContact O-N 3.5Å; V1837-L1841 WeakPolarHBondContact O-CA 3.26Å; V1837-L1841 VanDerWaalsContact O-CB 3.22Å; V1837-L1841 WeakPolarHBondContact O-CB 3.35Å; V1837-L1841 PolarHBondContact O-N 3.48Å
1838V77.9Confident78.7Confident67 Ų6787.1 Ų87.141%0.40647%0.466SS..Hα-helixtrans-70.2-29.5177.1170.40000111.9L1834 L1841 S1842L1834-V1838 HydrophobicContact CG-CG2 4.21Å; L1834-V1838 WeakPolarHBondContact O-CA 3.38Å; L1834-V1838 WeakPolarHBondContact O-CB 3.28Å; L1834-V1838 WeakPolarHBondContact O-CG2 3.48Å; L1834-V1838 PolarHBondContact O-N 3.49Å; V1838-L1841 PolarHBondContact O-N 3.47Å; V1838-S1842 WeakPolarHBondContact O-CA 3.4Å; V1838-S1842 WeakPolarHBondContact O-CB 3.3Å; V1838-S1842 PolarHBondContact O-N 2.68Å
1839S79.3Confident78.5Confident68 Ų6886.6 Ų86.648%0.47646%0.461SS..Hα-helixtrans-67.5-44.4168-61.90000110.1T1835 K1836 L1841 S1842 E1843T1835-S1839 WeakPolarHBondContact O-CA 3.36Å; T1835-S1839 WeakPolarHBondContact O-CB 3.31Å; T1835-S1839 PolarHBondContact O-N 2.92Å; T1835-S1839 PolarHBondContact O-OG 3.2Å; K1836-S1839 PolarHBondContact O-N 3.16Å; S1839-L1841 VanDerWaalsContact C-N 3.32Å; S1839-L1841 PolarHBondContact O-N 2.66Å; S1839-S1842 PolarHBondContact O-N 3.03Å; S1839-E1843 WeakPolarHBondContact O-CB 3.47Å; S1839-E1843 PolarHBondContact O-N 3.35Å
1840S78.9Confident78.7Confident53 Ų5390 Ų9037%0.37147%0.471SS..Hα-helixtrans-69.4-28.6174.9-172.60000112.9K1836 V1837 Q1844K1836-S1840 WeakPolarHBondContact O-CB 3.36Å; K1836-S1840 PolarHBondContact O-N 3.25Å; V1837-S1840 CarbonylContact O-C 3.52Å; V1837-S1840 PolarHBondContact O-N 3.5Å; S1840-Q1844 VanDerWaalsContact O-CB 3.24Å; S1840-Q1844 WeakPolarHBondContact O-CB 3.46Å; S1840-Q1844 WeakPolarHBondContact O-CG 3.16Å; S1840-Q1844 PolarHBondContact O-N 3.27Å; S1840-Q1844 PolarHBondContact O-NE2 2.85Å; S1840-Q1844 PolarHBondContact OG-NE2 2.67Å
1841L77.5Confident78.9Confident90 Ų9094.1 Ų94.147%0.47148%0.484SS..Hα-helixtrans-81.6-29.8176.5-152.780.1000110.9V1837 V1838 S1839 Q1844 L1845V1837-L1841 WeakPolarHBondContact O-CA 3.26Å; V1837-L1841 VanDerWaalsContact O-CB 3.22Å; V1837-L1841 WeakPolarHBondContact O-CB 3.35Å; V1837-L1841 PolarHBondContact O-N 3.48Å; V1838-L1841 PolarHBondContact O-N 3.47Å; S1839-L1841 VanDerWaalsContact C-N 3.32Å; S1839-L1841 PolarHBondContact O-N 2.66Å; L1841-Q1844 CarbonylContact O-C 3.57Å; L1841-L1845 WeakPolarHBondContact O-CA 3.32Å; L1841-L1845 WeakPolarHBondContact O-CB 3.25Å; L1841-L1845 PolarHBondContact O-N 2.73Å
1842S78.6Confident78.9Confident53 Ų5392.5 Ų92.537%0.37148%0.48SS..Hα-helixtrans-76.5-34.5170.8173.90000110.8V1838 S1839 L1845 N1846V1838-S1842 WeakPolarHBondContact O-CA 3.4Å; V1838-S1842 WeakPolarHBondContact O-CB 3.3Å; V1838-S1842 PolarHBondContact O-N 2.68Å; S1839-S1842 PolarHBondContact O-N 3.03Å; S1842-L1845 PolarHBondContact O-N 2.77Å; S1842-N1846 VanDerWaalsContact O-CB 3.25Å; S1842-N1846 WeakPolarHBondContact O-CB 3.44Å; S1842-N1846 PolarHBondContact O-N 3.46Å; S1842-N1846 PolarHBondContact O-ND2 2.76Å; S1842-N1846 PolarHBondContact O-OD1 3.13Å
1843E80Confident78.9Confident143 Ų14392.2 Ų92.267%0.66848%0.478SS*.Hα-helixtrans-69-42.2170.3-168.2166.9-13200110.3S1839 N1846 H1847S1839-E1843 WeakPolarHBondContact O-CB 3.47Å; S1839-E1843 PolarHBondContact O-N 3.35Å; E1843-N1846 PolarHBondContact O-N 3.07Å; E1843-H1847 WeakPolarHBondContact O-CB 3.16Å; E1843-H1847 PolarHBondContact O-N 3Å
1844Q76.1Confident78.8Confident114 Ų11488.7 Ų88.753%0.53347%0.468SS..Hα-helixtrans-65.7-34.6168.5-78.116872.600113.2S1840 L1841 H1847 A1848S1840-Q1844 VanDerWaalsContact O-CB 3.24Å; S1840-Q1844 WeakPolarHBondContact O-CB 3.46Å; S1840-Q1844 WeakPolarHBondContact O-CG 3.16Å; S1840-Q1844 PolarHBondContact O-N 3.27Å; S1840-Q1844 PolarHBondContact O-NE2 2.85Å; S1840-Q1844 PolarHBondContact OG-NE2 2.67Å; L1841-Q1844 CarbonylContact O-C 3.57Å; Q1844-H1847 CarbonylContact O-C 3.59Å; Q1844-H1847 PolarHBondContact O-N 2.78Å; Q1844-A1848 WeakPolarHBondContact O-CB 3.3Å; Q1844-A1848 PolarHBondContact O-N 3.48Å
1845L75.7Confident79Confident75 Ų7589.7 Ų89.739%0.39348%0.477SS..Hα-helixtrans-74.2-35.7176.6-176.965.1000110.6L1841 S1842 H1847 A1848 N1849L1841-L1845 WeakPolarHBondContact O-CA 3.32Å; L1841-L1845 WeakPolarHBondContact O-CB 3.25Å; L1841-L1845 PolarHBondContact O-N 2.73Å; S1842-L1845 PolarHBondContact O-N 2.77Å; L1845-H1847 VanDerWaalsContact C-N 3.32Å; L1845-A1848 CarbonylContact O-C 3.54Å; L1845-A1848 PolarHBondContact O-N 3.34Å; L1845-N1849 WeakPolarHBondContact O-CA 3.33Å; L1845-N1849 WeakPolarHBondContact O-CB 3.43Å; L1845-N1849 PolarHBondContact O-N 2.8Å
1846N78.5Confident78.7Confident95 Ų9591.9 Ų91.951%0.50848%0.482SS..Hα-helixtrans-66.5-37170-69.4-20.3000110.3S1842 E1843 N1850S1842-N1846 VanDerWaalsContact O-CB 3.25Å; S1842-N1846 WeakPolarHBondContact O-CB 3.44Å; S1842-N1846 PolarHBondContact O-N 3.46Å; S1842-N1846 PolarHBondContact O-ND2 2.76Å; S1842-N1846 PolarHBondContact O-OD1 3.13Å; E1843-N1846 PolarHBondContact O-N 3.07Å; N1846-N1850 WeakPolarHBondContact O-CB 3.33Å; N1846-N1850 PolarHBondContact O-N 3.39Å; N1846-N1850 PolarHBondContact O-OD1 3.41Å
1847H79.8Confident78.7Confident129 Ų12985.7 Ų85.760%0.59746%0.463SS*.Hα-helixtrans-71-36.2173.4-130.113.2000112.4E1843 Q1844 L1845 R1851E1843-H1847 WeakPolarHBondContact O-CB 3.16Å; E1843-H1847 PolarHBondContact O-N 3Å; Q1844-H1847 CarbonylContact O-C 3.59Å; Q1844-H1847 PolarHBondContact O-N 2.78Å; L1845-H1847 VanDerWaalsContact C-N 3.32Å; H1847-R1851 WeakPolarHBondContact O-CB 3.43Å; H1847-R1851 WeakPolarHBondContact O-CG 3.18Å; H1847-R1851 PolarHBondContact O-N 2.9Å
1848A78.1Confident78.8Confident46 Ų4685.4 Ų85.438%0.3846%0.456SS..Hα-helixtrans-72.6-37.317600000111.8Q1844 L1845 R1851 T1852Q1844-A1848 WeakPolarHBondContact O-CB 3.3Å; Q1844-A1848 PolarHBondContact O-N 3.48Å; L1845-A1848 CarbonylContact O-C 3.54Å; L1845-A1848 PolarHBondContact O-N 3.34Å; A1848-R1851 CarbonylContact O-C 3.56Å; A1848-R1851 WeakPolarHBondContact O-CA 3.34Å; A1848-R1851 WeakPolarHBondContact O-CB 3.28Å; A1848-R1851 PolarHBondContact O-N 2.7Å; A1848-T1852 PolarHBondContact O-N 2.92Å; A1848-T1852 PolarHBondContact O-OG1 3.49Å
1849N78.6Confident78.8Confident44 Ų4487.1 Ų87.124%0.23546%0.463CS..Hα-helixtrans-80-30.8178-155.4-4000110.9L1845 R1851 T1852 N1853L1845-N1849 WeakPolarHBondContact O-CA 3.33Å; L1845-N1849 WeakPolarHBondContact O-CB 3.43Å; L1845-N1849 PolarHBondContact O-N 2.8Å; N1849-R1851 VanDerWaalsContact C-N 3.28Å; N1849-R1851 PolarHBondContact O-N 2.74Å; N1849-T1852 CarbonylContact O-C 3.57Å; N1849-T1852 PolarHBondContact O-N 2.86Å; N1849-N1853 WeakPolarHBondContact O-CB 3.24Å; N1849-N1853 VanDerWaalsContact O-CG 3.26Å; N1849-N1853 PolarHBondContact O-N 2.79Å; N1849-N1853 PolarHBondContact O-ND2 3.33Å
1850N81.5Confident78.8Confident103 Ų10389 Ų8955%0.55146%0.463SS*.Hα-helixtrans-60.8-40.4162.4-756.3000110.7N1846 N1853 E1854N1846-N1850 WeakPolarHBondContact O-CB 3.33Å; N1846-N1850 PolarHBondContact O-N 3.39Å; N1846-N1850 PolarHBondContact O-OD1 3.41Å; N1850-N1853 PolarHBondContact O-N 2.82Å; N1850-E1854 VanDerWaalsContact O-CB 3.31Å; N1850-E1854 WeakPolarHBondContact O-CB 3.1Å; N1850-E1854 PolarHBondContact O-N 3.48Å
1851R79.7Confident79Confident166 Ų16688.9 Ų88.963%0.62646%0.459SS*.Hα-helixtrans-68.8-30.5170.9-80.1176.9169.6-167.8-3.9113.8H1847 A1848 N1849 E1854 V1855H1847-R1851 WeakPolarHBondContact O-CB 3.43Å; H1847-R1851 WeakPolarHBondContact O-CG 3.18Å; H1847-R1851 PolarHBondContact O-N 2.9Å; A1848-R1851 CarbonylContact O-C 3.56Å; A1848-R1851 WeakPolarHBondContact O-CA 3.34Å; A1848-R1851 WeakPolarHBondContact O-CB 3.28Å; A1848-R1851 PolarHBondContact O-N 2.7Å; N1849-R1851 VanDerWaalsContact C-N 3.28Å; N1849-R1851 PolarHBondContact O-N 2.74Å; R1851-E1854 WeakPolarHBondContact CG-OE2 3.43Å; R1851-E1854 PolarHBondContact O-N 2.99Å; R1851-V1855 VanDerWaalsContact O-CB 3.25Å; R1851-V1855 WeakPolarHBondContact O-CB 3.19Å; R1851-V1855 VanDerWaalsContact O-CG2 3.23Å; R1851-V1855 WeakPolarHBondContact O-CG2 3.38Å; R1851-V1855 PolarHBondContact O-N 2.79Å
1852T79.8Confident79.2Confident74 Ų7489.4 Ų89.445%0.45446%0.462SS..Hα-helixtrans-67.7-42171.2-55.70000109.6A1848 N1849 V1855 Q1856A1848-T1852 PolarHBondContact O-N 2.92Å; A1848-T1852 PolarHBondContact O-OG1 3.49Å; N1849-T1852 CarbonylContact O-C 3.57Å; N1849-T1852 PolarHBondContact O-N 2.86Å; T1852-V1855 CarbonylContact O-C 3.59Å; T1852-V1855 PolarHBondContact O-N 3.08Å; T1852-Q1856 WeakPolarHBondContact O-CA 3.48Å; T1852-Q1856 WeakPolarHBondContact O-CB 3.22Å; T1852-Q1856 PolarHBondContact O-N 2.97Å
1853N79.3Confident79.3Confident89 Ų8992.1 Ų92.148%0.47647%0.468SS..Hα-helixtrans-67.1-35.4174-70.9-54.2000112.3N1849 N1850 G1857N1849-N1853 WeakPolarHBondContact O-CB 3.24Å; N1849-N1853 VanDerWaalsContact O-CG 3.26Å; N1849-N1853 PolarHBondContact O-N 2.79Å; N1849-N1853 PolarHBondContact O-ND2 3.33Å; N1850-N1853 PolarHBondContact O-N 2.82Å; N1853-G1857 PolarHBondContact O-N 3.31Å
1854E78.2Confident79.5Confident81 Ų8188.9 Ų88.938%0.37946%0.458SS..Hα-helixtrans-66.1-48.2172.7-173.7-173.9171.800110.7N1850 R1851 Q1856 G1857 Q1858N1850-E1854 VanDerWaalsContact O-CB 3.31Å; N1850-E1854 WeakPolarHBondContact O-CB 3.1Å; N1850-E1854 PolarHBondContact O-N 3.48Å; R1851-E1854 WeakPolarHBondContact CG-OE2 3.43Å; R1851-E1854 PolarHBondContact O-N 2.99Å; E1854-Q1856 VanDerWaalsContact C-N 3.33Å; E1854-Q1856 PolarHBondContact O-N 2.79Å; E1854-G1857 PolarHBondContact O-N 3.27Å; E1854-Q1858 WeakPolarHBondContact O-CG 3.19Å; E1854-Q1858 PolarHBondContact O-N 3.35Å
1855V80.3Confident79.8Confident81 Ų8187.1 Ų87.149%0.49145%0.452SS..Hα-helixtrans-69-28.6175169.30000112.1R1851 T1852 Q1858 L1859R1851-V1855 VanDerWaalsContact O-CB 3.25Å; R1851-V1855 WeakPolarHBondContact O-CB 3.19Å; R1851-V1855 VanDerWaalsContact O-CG2 3.23Å; R1851-V1855 WeakPolarHBondContact O-CG2 3.38Å; R1851-V1855 PolarHBondContact O-N 2.79Å; T1852-V1855 CarbonylContact O-C 3.59Å; T1852-V1855 PolarHBondContact O-N 3.08Å; V1855-Q1858 CarbonylContact O-C 3.58Å; V1855-L1859 WeakPolarHBondContact O-CB 3.47Å; V1855-L1859 PolarHBondContact O-N 2.89Å
1856Q75.1Confident80.2Confident119 Ų11988.6 Ų88.656%0.55646%0.46SS*.Hα-helixtrans-80.9-27.2174.8-173.71711.500111.4T1852 E1854 H1860T1852-Q1856 WeakPolarHBondContact O-CA 3.48Å; T1852-Q1856 WeakPolarHBondContact O-CB 3.22Å; T1852-Q1856 PolarHBondContact O-N 2.97Å; E1854-Q1856 VanDerWaalsContact C-N 3.33Å; E1854-Q1856 PolarHBondContact O-N 2.79Å; Q1856-H1860 WeakPolarHBondContact O-CB 3.14Å; Q1856-H1860 PolarHBondContact O-N 2.9Å
1857G81Confident80.5Confident27 Ų2787.9 Ų87.928%0.27846%0.459SS..Hα-helixtrans-62.7-55.9161.700000110.2N1853 E1854 L1859 H1860 D1861N1853-G1857 PolarHBondContact O-N 3.31Å; E1854-G1857 PolarHBondContact O-N 3.27Å; G1857-L1859 PolarHBondContact O-N 2.84Å; G1857-H1860 CarbonylContact O-C 3.36Å; G1857-H1860 WeakPolarHBondContact O-CB 3.5Å; G1857-H1860 PolarHBondContact O-N 3.35Å; G1857-H1860 VanDerWaalsContact O-N 3.1Å; G1857-D1861 WeakPolarHBondContact O-CB 3.35Å; G1857-D1861 PolarHBondContact O-N 3.42Å
1858Q80.5Confident80.6Confident76 Ų7684 Ų8436%0.35544%0.441SS..Hα-helixtrans-57.9-33.5174.6-71173.7-10.100113.2S832 E1854 V1855 L1862S832-Q1858 PolarHBondContact OG-NE2 3.41Å; E1854-Q1858 WeakPolarHBondContact O-CG 3.19Å; E1854-Q1858 PolarHBondContact O-N 3.35Å; V1855-Q1858 CarbonylContact O-C 3.58Å; Q1858-L1862 WeakPolarHBondContact O-CB 3.37Å; Q1858-L1862 WeakPolarHBondContact O-CD1 3.26Å; Q1858-L1862 WeakPolarHBondContact O-CG 3.49Å; Q1858-L1862 PolarHBondContact O-N 3.47Å
1859L78.4Confident80.8Confident104 Ų10484.7 Ų84.755%0.54544%0.441SS..Hα-helixtrans-78.3-34.8176.6-171.4150.2000111.8V1855 G1857 Q1863V1855-L1859 WeakPolarHBondContact O-CB 3.47Å; V1855-L1859 PolarHBondContact O-N 2.89Å; G1857-L1859 PolarHBondContact O-N 2.84Å; L1859-Q1863 WeakPolarHBondContact O-CB 3.06Å; L1859-Q1863 PolarHBondContact O-N 2.82Å
1860H80Confident81Confident106 Ų10688 Ų8849%0.49146%0.455SS..Hα-helixtrans-64.6-42.5169171.7-83.1000110.8Q1856 G1857 Q1863 V1864Q1856-H1860 WeakPolarHBondContact O-CB 3.14Å; Q1856-H1860 PolarHBondContact O-N 2.9Å; G1857-H1860 CarbonylContact O-C 3.36Å; G1857-H1860 WeakPolarHBondContact O-CB 3.5Å; G1857-H1860 PolarHBondContact O-N 3.35Å; G1857-H1860 VanDerWaalsContact O-N 3.1Å; H1860-Q1863 CarbonylContact O-C 3.52Å; H1860-Q1863 WeakPolarHBondContact O-CA 3.43Å; H1860-Q1863 WeakPolarHBondContact O-CB 3.33Å; H1860-Q1863 PolarHBondContact O-N 3.19Å; H1860-Q1863 VanDerWaalsContact O-N 3.12Å; H1860-V1864 WeakPolarHBondContact O-CG2 3.26Å; H1860-V1864 PolarHBondContact O-N 3.29Å
1861D81.6Confident81.2Confident52 Ų5286.7 Ų86.728%0.27845%0.448SS..Hα-helixtrans-72.3-39.4179.9-62.6-22000110.5L829 G1857 Q1863 V1864 D1865L829-D1861 HydrophobicContact CD1-CB 4.44Å; G1857-D1861 WeakPolarHBondContact O-CB 3.35Å; G1857-D1861 PolarHBondContact O-N 3.42Å; D1861-Q1863 VanDerWaalsContact C-N 3.26Å; D1861-Q1863 PolarHBondContact O-N 2.85Å; D1861-V1864 CarbonylContact O-C 3.59Å; D1861-V1864 PolarHBondContact O-N 3.28Å; D1861-D1865 WeakPolarHBondContact O-CB 3.14Å; D1861-D1865 PolarHBondContact O-N 3Å
1862L81.4Confident81.2Confident101 Ų10182 Ų8253%0.52943%0.433SS..Hα-helixtrans-65.5-25.5166.6-75.2169.5000113Q1858 L1866Q1858-L1862 WeakPolarHBondContact O-CB 3.37Å; Q1858-L1862 WeakPolarHBondContact O-CD1 3.26Å; Q1858-L1862 WeakPolarHBondContact O-CG 3.49Å; Q1858-L1862 PolarHBondContact O-N 3.47Å; L1862-L1866 WeakPolarHBondContact O-CB 3.4Å; L1862-L1866 PolarHBondContact O-N 2.86Å
1863Q80.7Confident81.3Confident110 Ų11083.7 Ų83.751%0.51444%0.439SS..Hα-helixtrans-78.7-34.2173.1-177.2176.89.700111.1L1859 H1860 D1861 L1866 V1867L1859-Q1863 WeakPolarHBondContact O-CB 3.06Å; L1859-Q1863 PolarHBondContact O-N 2.82Å; H1860-Q1863 CarbonylContact O-C 3.52Å; H1860-Q1863 WeakPolarHBondContact O-CA 3.43Å; H1860-Q1863 WeakPolarHBondContact O-CB 3.33Å; H1860-Q1863 PolarHBondContact O-N 3.19Å; H1860-Q1863 VanDerWaalsContact O-N 3.12Å; D1861-Q1863 VanDerWaalsContact C-N 3.26Å; D1861-Q1863 PolarHBondContact O-N 2.85Å; Q1863-L1866 PolarHBondContact O-N 3.45Å; Q1863-V1867 WeakPolarHBondContact O-CB 3.28Å; Q1863-V1867 VanDerWaalsContact O-CG2 3.25Å; Q1863-V1867 WeakPolarHBondContact O-CG2 3.35Å; Q1863-V1867 PolarHBondContact O-N 3.29Å
1864V85.1Confident81.3Confident74 Ų7483.5 Ų83.545%0.44844%0.435SS..Hα-helixtrans-66.9-44.4169.5168.30000109.8H1860 D1861 V1867 H1868H1860-V1864 WeakPolarHBondContact O-CG2 3.26Å; H1860-V1864 PolarHBondContact O-N 3.29Å; D1861-V1864 CarbonylContact O-C 3.59Å; D1861-V1864 PolarHBondContact O-N 3.28Å; V1864-V1867 CarbonylContact O-C 3.54Å; V1864-V1867 PolarHBondContact O-N 2.81Å; V1864-H1868 WeakPolarHBondContact O-CB 3.11Å; V1864-H1868 PolarHBondContact O-N 3.43Å
1865D83.3Confident81.7Confident77 Ų7783.7 Ų83.741%0.41244%0.438SS..Hα-helixtrans-66.7-34.8173.9-75.2-13.7000111.8D1861 H1868 T1869D1861-D1865 WeakPolarHBondContact O-CB 3.14Å; D1861-D1865 PolarHBondContact O-N 3Å; D1865-H1868 PolarHBondContact O-N 2.92Å; D1865-T1869 WeakPolarHBondContact O-CB 3.23Å; D1865-T1869 WeakPolarHBondContact O-CG2 3.28Å; D1865-T1869 PolarHBondContact O-N 3.47Å; D1865-T1869 PolarHBondContact O-OG1 2.91Å
1866L82.7Confident81.8Confident107 Ų10785.9 Ų85.956%0.5644%0.441SS*.Hα-helixtrans-68.7-40.1172.4-177.561.8000111.3L1862 Q1863 T1869 Q1870L1862-L1866 WeakPolarHBondContact O-CB 3.4Å; L1862-L1866 PolarHBondContact O-N 2.86Å; Q1863-L1866 PolarHBondContact O-N 3.45Å; L1866-T1869 WeakPolarHBondContact CA-OG1 3.41Å; L1866-T1869 PolarHBondContact O-OG1 3.47Å; L1866-Q1870 WeakPolarHBondContact O-CB 3.45Å; L1866-Q1870 PolarHBondContact O-N 2.9Å
1867V84.6Confident82.2Confident80 Ų8085.8 Ų85.849%0.48544%0.44SS..Hα-helixtrans-70.4-34.8173.8167.50000111Q1863 V1864 N1871Q1863-V1867 WeakPolarHBondContact O-CB 3.28Å; Q1863-V1867 VanDerWaalsContact O-CG2 3.25Å; Q1863-V1867 WeakPolarHBondContact O-CG2 3.35Å; Q1863-V1867 PolarHBondContact O-N 3.29Å; V1864-V1867 CarbonylContact O-C 3.54Å; V1864-V1867 PolarHBondContact O-N 2.81Å; V1867-N1871 WeakPolarHBondContact CG1-ND2 3.46Å; V1867-N1871 VanDerWaalsContact O-CB 3.31Å; V1867-N1871 WeakPolarHBondContact O-CB 3.42Å; V1867-N1871 VanDerWaalsContact O-CG 3.25Å; V1867-N1871 PolarHBondContact O-N 3.19Å; V1867-N1871 PolarHBondContact O-ND2 3.46Å
1868H83.5Confident82.4Confident46 Ų4687.8 Ų87.821%0.21345%0.445CS..Hα-helixtrans-66.6-46.1174.9-176.382.3000110.6V1864 D1865 N1871 E1872 Y2577 S2578V1864-H1868 WeakPolarHBondContact O-CB 3.11Å; V1864-H1868 PolarHBondContact O-N 3.43Å; D1865-H1868 PolarHBondContact O-N 2.92Å; H1868-N1871 CarbonylContact O-C 3.58Å; H1868-N1871 PolarHBondContact O-N 2.87Å; H1868-E1872 PolarHBondContact O-N 3.33Å; H1868-Y2577 AromaticContact CE1-CD1 3.09Å; H1868-Y2577 WeakPolarHBondContact CE1-CD1 3.44Å; H1868-Y2577 AromaticContact CE1-CE1 3.43Å; H1868-Y2577 VanDerWaalsContact CE1-CE1 3.43Å; H1868-Y2577 WeakPolarHBondContact CE1-CE1 3.21Å; H1868-Y2577 AromaticContact CE1-CG 3.68Å; H1868-Y2577 AromaticContact CG-CE1 3.94Å; H1868-Y2577 AromaticContact ND1-CD1 3.59Å; H1868-Y2577 AromaticContact ND1-CE1 3.38Å; H1868-Y2577 WeakPolarHBondContact ND1-CE1 3.2Å; H1868-Y2577 AromaticContact NE2-CD1 3.44Å; H1868-Y2577 WeakPolarHBondContact NE2-CD1 3.34Å; H1868-Y2577 AromaticContact NE2-CE1 3.97Å; H1868-S2578 PolarHBondContact NE2-O 3.23Å
1869T82.4Confident82.5Confident62 Ų6286 Ų8638%0.3844%0.437SS..Hα-helixtrans-72.6-30.2174.852.70000113.2D1865 L1866 E1872 L1873D1865-T1869 WeakPolarHBondContact O-CB 3.23Å; D1865-T1869 WeakPolarHBondContact O-CG2 3.28Å; D1865-T1869 PolarHBondContact O-N 3.47Å; D1865-T1869 PolarHBondContact O-OG1 2.91Å; L1866-T1869 WeakPolarHBondContact CA-OG1 3.41Å; L1866-T1869 PolarHBondContact O-OG1 3.47Å; T1869-E1872 PolarHBondContact O-N 2.6Å; T1869-L1873 VanDerWaalsContact O-CB 3.29Å; T1869-L1873 WeakPolarHBondContact O-CB 3.41Å; T1869-L1873 VanDerWaalsContact O-CG 3.23Å; T1869-L1873 WeakPolarHBondContact O-CG 3.32Å; T1869-L1873 PolarHBondContact O-N 3.39Å
1870Q82.1Confident82.7Confident114 Ų11485.3 Ų85.353%0.53344%0.436SS..Hα-helixtrans-64.6-42168.4-172.277.614.500110.4L1866 L1873 Q1874L1866-Q1870 WeakPolarHBondContact O-CB 3.45Å; L1866-Q1870 PolarHBondContact O-N 2.9Å; Q1870-L1873 PolarHBondContact O-N 2.89Å; Q1870-Q1874 WeakPolarHBondContact O-CB 3.46Å; Q1870-Q1874 PolarHBondContact O-N 3.3Å
1871N84.6Confident82.7Confident74 Ų7485.4 Ų85.440%0.39644%0.437SS..Hα-helixtrans-71.1-34174.4-75.3-55.6000112.3V1867 H1868 Q1874 L1875 Y2577V1867-N1871 WeakPolarHBondContact CG1-ND2 3.46Å; V1867-N1871 VanDerWaalsContact O-CB 3.31Å; V1867-N1871 WeakPolarHBondContact O-CB 3.42Å; V1867-N1871 VanDerWaalsContact O-CG 3.25Å; V1867-N1871 PolarHBondContact O-N 3.19Å; V1867-N1871 PolarHBondContact O-ND2 3.46Å; H1868-N1871 CarbonylContact O-C 3.58Å; H1868-N1871 PolarHBondContact O-N 2.87Å; N1871-Q1874 PolarHBondContact O-N 2.86Å; N1871-L1875 WeakPolarHBondContact O-CB 3.39Å; N1871-L1875 VanDerWaalsContact O-CG 3.23Å; N1871-L1875 WeakPolarHBondContact O-CG 3.35Å; N1871-L1875 PolarHBondContact O-N 2.89Å; N1871-Y2577 VanDerWaalsContact CB-OH 3.26Å; N1871-Y2577 WeakPolarHBondContact CB-OH 3.36Å
1872E80.7Confident82.7Confident67 Ų6786.7 Ų86.731%0.31344%0.438SS..Hα-helixtrans-62.5-48.5167.8-80.9-129.7122.200110.3H1868 T1869 Q1874 L1875 K1876 Y2577H1868-E1872 PolarHBondContact O-N 3.33Å; T1869-E1872 PolarHBondContact O-N 2.6Å; E1872-Q1874 VanDerWaalsContact C-N 3.29Å; E1872-Q1874 PolarHBondContact O-N 2.86Å; E1872-L1875 CarbonylContact O-C 3.55Å; E1872-L1875 PolarHBondContact O-N 3.43Å; E1872-L1875 VanDerWaalsContact O-N 3.1Å; E1872-K1876 WeakPolarHBondContact O-CB 3.25Å; E1872-K1876 WeakPolarHBondContact O-CG 3.29Å; E1872-K1876 PolarHBondContact O-N 2.89Å; E1872-Y2577 HydrophobicContact CG-CD1 3.42Å; E1872-Y2577 VanDerWaalsContact CG-CD1 3.42Å; E1872-Y2577 HydrophobicContact CG-CE1 3.58Å
1873L81.2Confident82.8Confident111 Ų11186.6 Ų86.658%0.58144%0.435SS*.Hα-helixtrans-60-39.4177.4-76.2169000111.2T1869 Q1870 K1876 E1877T1869-L1873 VanDerWaalsContact O-CB 3.29Å; T1869-L1873 WeakPolarHBondContact O-CB 3.41Å; T1869-L1873 VanDerWaalsContact O-CG 3.23Å; T1869-L1873 WeakPolarHBondContact O-CG 3.32Å; T1869-L1873 PolarHBondContact O-N 3.39Å; Q1870-L1873 PolarHBondContact O-N 2.89Å; L1873-K1876 CarbonylContact O-C 3.6Å; L1873-K1876 PolarHBondContact O-N 3.5Å; L1873-E1877 VanDerWaalsContact O-CB 3.31Å; L1873-E1877 WeakPolarHBondContact O-CB 3.28Å; L1873-E1877 PolarHBondContact O-N 3.47Å
1874Q80.8Confident82.8Confident84 Ų8487.7 Ų87.739%0.39343%0.434SS..Hα-helixtrans-65.7-43.3172.5-162.965.170.400111.6Q1870 N1871 E1872 K1876 E1877 D1878Q1870-Q1874 WeakPolarHBondContact O-CB 3.46Å; Q1870-Q1874 PolarHBondContact O-N 3.3Å; N1871-Q1874 PolarHBondContact O-N 2.86Å; E1872-Q1874 VanDerWaalsContact C-N 3.29Å; E1872-Q1874 PolarHBondContact O-N 2.86Å; Q1874-K1876 VanDerWaalsContact C-N 3.26Å; Q1874-K1876 PolarHBondContact O-N 2.68Å; Q1874-E1877 PolarHBondContact NE2-OE2 3.48Å; Q1874-E1877 PolarHBondContact O-N 3.22Å; Q1874-D1878 WeakPolarHBondContact O-CB 3.5Å; Q1874-D1878 PolarHBondContact O-N 3.39Å
1875L85Confident82.7Confident86 Ų8687.7 Ų87.745%0.4543%0.434SS..Hα-helixtrans-65-28.5174.5-75.7167.2000112.9N1871 E1872 E1879 Y2577N1871-L1875 WeakPolarHBondContact O-CB 3.39Å; N1871-L1875 VanDerWaalsContact O-CG 3.23Å; N1871-L1875 WeakPolarHBondContact O-CG 3.35Å; N1871-L1875 PolarHBondContact O-N 2.89Å; E1872-L1875 CarbonylContact O-C 3.55Å; E1872-L1875 PolarHBondContact O-N 3.43Å; E1872-L1875 VanDerWaalsContact O-N 3.1Å; L1875-E1879 VanDerWaalsContact O-CB 3.28Å; L1875-E1879 WeakPolarHBondContact O-CB 3.24Å; L1875-E1879 PolarHBondContact O-N 3Å; L1875-E1879 VanDerWaalsContact O-N 3.09Å; L1875-Y2577 HydrophobicContact CD1-CE2 4.17Å
1876K83.3Confident82.7Confident126 Ų12687.6 Ų87.655%0.54843%0.434SS..Hα-helixtrans-79-38.7173.6-63.9-78177.8-179.40111.2E1872 L1873 Q1874 E1879 V1880E1872-K1876 WeakPolarHBondContact O-CB 3.25Å; E1872-K1876 WeakPolarHBondContact O-CG 3.29Å; E1872-K1876 PolarHBondContact O-N 2.89Å; L1873-K1876 CarbonylContact O-C 3.6Å; L1873-K1876 PolarHBondContact O-N 3.5Å; Q1874-K1876 VanDerWaalsContact C-N 3.26Å; Q1874-K1876 PolarHBondContact O-N 2.68Å; K1876-E1879 CarbonylContact O-C 3.56Å; K1876-E1879 PolarHBondContact O-N 3.48Å; K1876-V1880 VanDerWaalsContact O-CB 3.28Å; K1876-V1880 WeakPolarHBondContact O-CB 3.35Å; K1876-V1880 WeakPolarHBondContact O-CG2 3.36Å; K1876-V1880 PolarHBondContact O-N 2.91Å
1877E84.3Confident82.7Confident117 Ų11785.7 Ų85.755%0.54743%0.427SS..Hα-helixtrans-65.3-47.4173.7-177.4171-130.100109.9L1873 Q1874 E1879 V1880 Q1881L1873-E1877 VanDerWaalsContact O-CB 3.31Å; L1873-E1877 WeakPolarHBondContact O-CB 3.28Å; L1873-E1877 PolarHBondContact O-N 3.47Å; Q1874-E1877 PolarHBondContact NE2-OE2 3.48Å; Q1874-E1877 PolarHBondContact O-N 3.22Å; E1877-E1879 VanDerWaalsContact C-N 3.3Å; E1877-E1879 PolarHBondContact O-N 3.01Å; E1877-V1880 CarbonylContact O-C 3.55Å; E1877-V1880 PolarHBondContact O-N 3.4Å; E1877-V1880 VanDerWaalsContact O-N 3.15Å; E1877-Q1881 VanDerWaalsContact O-CB 3.25Å; E1877-Q1881 WeakPolarHBondContact O-CB 3.26Å; E1877-Q1881 PolarHBondContact O-N 2.87Å
1878D84Confident82.6Confident69 Ų6984.9 Ų84.937%0.36942%0.418SS..Hα-helixtrans-52.6-43.9169-9028.7000112.5Q1874 R1882Q1874-D1878 WeakPolarHBondContact O-CB 3.5Å; Q1874-D1878 PolarHBondContact O-N 3.39Å; D1878-R1882 WeakPolarHBondContact O-CB 3.36Å; D1878-R1882 VanDerWaalsContact O-CG 3.28Å; D1878-R1882 WeakPolarHBondContact O-CG 3.42Å; D1878-R1882 PolarHBondContact O-N 3.42Å; D1878-R1882 IonicContact OD2-NH1 2.69Å
1879E82.9Confident82.5Confident40 Ų4088.9 Ų88.919%0.18744%0.436CS..Hα-helixtrans-76.8-29.5178.7-172.261.9-167.500112.6K1225 L1875 K1876 E1877 R1882 Q1883K1225-E1879 WeakPolarHBondContact CE-OE1 3.42Å; K1225-E1879 IonicContact NZ-OE1 2.69Å; K1225-E1879 PolarHBondContact NZ-OE1 2.82Å; L1875-E1879 VanDerWaalsContact O-CB 3.28Å; L1875-E1879 WeakPolarHBondContact O-CB 3.24Å; L1875-E1879 PolarHBondContact O-N 3Å; L1875-E1879 VanDerWaalsContact O-N 3.09Å; K1876-E1879 CarbonylContact O-C 3.56Å; K1876-E1879 PolarHBondContact O-N 3.48Å; E1877-E1879 VanDerWaalsContact C-N 3.3Å; E1877-E1879 PolarHBondContact O-N 3.01Å; E1879-R1882 IonicContact OE2-CZ 2.72Å; E1879-R1882 VanDerWaalsContact OE2-CZ 3.28Å; E1879-R1882 IonicContact OE2-NE 3.57Å; E1879-R1882 PolarHBondContact OE2-NE 2.61Å; E1879-R1882 IonicContact OE2-NH2 2.68Å; E1879-R1882 PolarHBondContact OE2-NH2 2.95Å; E1879-Q1883 WeakPolarHBondContact O-CB 3.2Å; E1879-Q1883 WeakPolarHBondContact O-CG 3.3Å; E1879-Q1883 PolarHBondContact O-N 3.14Å
1880V82.4Confident82.6Confident88 Ų8891 Ų9153%0.53345%0.445SS..Hα-helixtrans-72.4-36.5171.4163.90000110.6K1876 E1877 Q1883 R1884K1876-V1880 VanDerWaalsContact O-CB 3.28Å; K1876-V1880 WeakPolarHBondContact O-CB 3.35Å; K1876-V1880 WeakPolarHBondContact O-CG2 3.36Å; K1876-V1880 PolarHBondContact O-N 2.91Å; E1877-V1880 CarbonylContact O-C 3.55Å; E1877-V1880 PolarHBondContact O-N 3.4Å; E1877-V1880 VanDerWaalsContact O-N 3.15Å; V1880-Q1883 CarbonylContact O-C 3.54Å; V1880-Q1883 PolarHBondContact O-N 3.2Å; V1880-R1884 WeakPolarHBondContact O-CB 3.38Å; V1880-R1884 PolarHBondContact O-N 3.43Å
1881Q79.3Confident82.6Confident109 Ų10993.3 Ų93.351%0.50945%0.449SS..Hα-helixtrans-73.5-36.1176.2-169.770.9-23.500110.7E1877 R1884 T1885E1877-Q1881 VanDerWaalsContact O-CB 3.25Å; E1877-Q1881 WeakPolarHBondContact O-CB 3.26Å; E1877-Q1881 PolarHBondContact O-N 2.87Å; Q1881-R1884 WeakPolarHBondContact O-CB 3.29Å; Q1881-R1884 PolarHBondContact O-N 3.02Å; Q1881-R1884 VanDerWaalsContact OE1-CD 3.22Å; Q1881-T1885 PolarHBondContact O-N 2.86Å; Q1881-T1885 PolarHBondContact O-OG1 3.23Å
1882R82.3Confident82.5Confident78 Ų7895.9 Ų95.929%0.29446%0.462SS..Hα-helixtrans-63.6-41.6165-75.1-175.5-62.9-92.3-1.4112.2D1878 E1879 R1884 T1885 D1886D1878-R1882 WeakPolarHBondContact O-CB 3.36Å; D1878-R1882 VanDerWaalsContact O-CG 3.28Å; D1878-R1882 WeakPolarHBondContact O-CG 3.42Å; D1878-R1882 PolarHBondContact O-N 3.42Å; D1878-R1882 IonicContact OD2-NH1 2.69Å; E1879-R1882 IonicContact OE2-CZ 2.72Å; E1879-R1882 VanDerWaalsContact OE2-CZ 3.28Å; E1879-R1882 IonicContact OE2-NE 3.57Å; E1879-R1882 PolarHBondContact OE2-NE 2.61Å; E1879-R1882 IonicContact OE2-NH2 2.68Å; E1879-R1882 PolarHBondContact OE2-NH2 2.95Å; R1882-R1884 VanDerWaalsContact C-N 3.26Å; R1882-R1884 PolarHBondContact O-N 3.49Å; R1882-T1885 PolarHBondContact O-N 2.75Å; R1882-T1885 PolarHBondContact O-OG1 3.46Å; R1882-T1885 VanDerWaalsContact O-OG1 3.11Å; R1882-D1886 VanDerWaalsContact O-CB 3.32Å; R1882-D1886 WeakPolarHBondContact O-CB 3.5Å; R1882-D1886 PolarHBondContact O-N 3.07Å
1883Q82.5Confident82.4Confident100 Ų10097.7 Ų97.747%0.46747%0.47SS..Hα-helixtrans-66.7-28.1172.2-75.6170.536.400112.4E1879 V1880 V1887E1879-Q1883 WeakPolarHBondContact O-CB 3.2Å; E1879-Q1883 WeakPolarHBondContact O-CG 3.3Å; E1879-Q1883 PolarHBondContact O-N 3.14Å; V1880-Q1883 CarbonylContact O-C 3.54Å; V1880-Q1883 PolarHBondContact O-N 3.2Å; Q1883-V1887 WeakPolarHBondContact O-CB 3.39Å; Q1883-V1887 WeakPolarHBondContact O-CG2 3.3Å; Q1883-V1887 PolarHBondContact O-N 2.96Å
1884R82Confident82.4Confident132 Ų13296.9 Ų96.950%0.49847%0.466SS..Hα-helixtrans-71.3-44175.1-160.9-173.6-153.6-100.217.1110.6V1880 Q1881 R1882 V1887 E1888V1880-R1884 WeakPolarHBondContact O-CB 3.38Å; V1880-R1884 PolarHBondContact O-N 3.43Å; Q1881-R1884 WeakPolarHBondContact O-CB 3.29Å; Q1881-R1884 PolarHBondContact O-N 3.02Å; Q1881-R1884 VanDerWaalsContact OE1-CD 3.22Å; R1882-R1884 VanDerWaalsContact C-N 3.26Å; R1882-R1884 PolarHBondContact O-N 3.49Å; R1884-V1887 CarbonylContact O-C 3.39Å; R1884-V1887 PolarHBondContact O-N 3.43Å; R1884-E1888 IonicContact CZ-OE1 3.2Å; R1884-E1888 IonicContact NE-OE1 3.49Å; R1884-E1888 IonicContact NH1-OE1 2.67Å; R1884-E1888 PolarHBondContact NH1-OE1 2.83Å; R1884-E1888 WeakPolarHBondContact O-CB 3.19Å; R1884-E1888 VanDerWaalsContact O-CG 3.29Å; R1884-E1888 WeakPolarHBondContact O-CG 3.37Å; R1884-E1888 PolarHBondContact O-N 2.91Å
1885T83.4Confident82.3Confident74 Ų7496.4 Ų96.445%0.45447%0.471SS..Hα-helixtrans-71.2-36.217452.70000112.4Q1881 R1882 V1887 E1888 Q1889Q1881-T1885 PolarHBondContact O-N 2.86Å; Q1881-T1885 PolarHBondContact O-OG1 3.23Å; R1882-T1885 PolarHBondContact O-N 2.75Å; R1882-T1885 PolarHBondContact O-OG1 3.46Å; R1882-T1885 VanDerWaalsContact O-OG1 3.11Å; T1885-V1887 VanDerWaalsContact C-N 3.35Å; T1885-V1887 PolarHBondContact O-N 2.99Å; T1885-E1888 PolarHBondContact O-N 2.96Å; T1885-Q1889 VanDerWaalsContact O-CB 3.28Å; T1885-Q1889 WeakPolarHBondContact O-CB 3.31Å; T1885-Q1889 PolarHBondContact O-N 3.47Å
1886D82.8Confident82Confident75 Ų7598.1 Ų98.140%0.40148%0.477SS..Hα-helixtrans-59.5-44.2168.7-73.2-21.1000110.6R1882 Q1889 L1890R1882-D1886 VanDerWaalsContact O-CB 3.32Å; R1882-D1886 WeakPolarHBondContact O-CB 3.5Å; R1882-D1886 PolarHBondContact O-N 3.07Å; D1886-Q1889 PolarHBondContact O-N 3.08Å; D1886-L1890 WeakPolarHBondContact O-CB 3.26Å; D1886-L1890 VanDerWaalsContact O-CG 3.26Å; D1886-L1890 WeakPolarHBondContact O-CG 3.39Å; D1886-L1890 PolarHBondContact O-N 2.92Å
1887V83Confident81.7Confident68 Ų6897.4 Ų97.441%0.41248%0.475SS..Hα-helixtrans-72.2-32.3177.7165.40000112.5Q1883 R1884 T1885 R1891Q1883-V1887 WeakPolarHBondContact O-CB 3.39Å; Q1883-V1887 WeakPolarHBondContact O-CG2 3.3Å; Q1883-V1887 PolarHBondContact O-N 2.96Å; R1884-V1887 CarbonylContact O-C 3.39Å; R1884-V1887 PolarHBondContact O-N 3.43Å; T1885-V1887 VanDerWaalsContact C-N 3.35Å; T1885-V1887 PolarHBondContact O-N 2.99Å; V1887-R1891 VanDerWaalsContact O-CB 3.29Å; V1887-R1891 WeakPolarHBondContact O-CB 3.14Å; V1887-R1891 WeakPolarHBondContact O-CG 3.28Å; V1887-R1891 PolarHBondContact O-N 3.32Å
1888E81.4Confident81.5Confident63 Ų6395.9 Ų95.929%0.29447%0.471SS..Hα-helixtrans-72.2-38.1172.9-77.1169.7-162.600111.2R1884 T1885 R1891 L1892R1884-E1888 IonicContact CZ-OE1 3.2Å; R1884-E1888 IonicContact NE-OE1 3.49Å; R1884-E1888 IonicContact NH1-OE1 2.67Å; R1884-E1888 PolarHBondContact NH1-OE1 2.83Å; R1884-E1888 WeakPolarHBondContact O-CB 3.19Å; R1884-E1888 VanDerWaalsContact O-CG 3.29Å; R1884-E1888 WeakPolarHBondContact O-CG 3.37Å; R1884-E1888 PolarHBondContact O-N 2.91Å; T1885-E1888 PolarHBondContact O-N 2.96Å; E1888-R1891 PolarHBondContact O-N 3.48Å; E1888-L1892 WeakPolarHBondContact O-CG 3.21Å; E1888-L1892 PolarHBondContact O-N 3.43Å
1889Q82.1Confident81.4Confident129 Ų12995.4 Ų95.460%0.60347%0.471SS*.Hα-helixtrans-64.6-43.9170.3-176172.9-12.900111.3T1885 D1886 R1891 L1892 Q1893T1885-Q1889 VanDerWaalsContact O-CB 3.28Å; T1885-Q1889 WeakPolarHBondContact O-CB 3.31Å; T1885-Q1889 PolarHBondContact O-N 3.47Å; D1886-Q1889 PolarHBondContact O-N 3.08Å; Q1889-R1891 VanDerWaalsContact C-N 3.32Å; Q1889-R1891 PolarHBondContact O-N 2.86Å; Q1889-L1892 PolarHBondContact O-N 3.44Å; Q1889-Q1893 WeakPolarHBondContact O-CB 3.43Å; Q1889-Q1893 PolarHBondContact O-N 3.26Å
1890L84Confident81.2Confident106 Ų10697.7 Ų97.756%0.55548%0.481SS*.Hα-helixtrans-64.9-32.8172.8-75.1169.4000112.4D1886 L1894D1886-L1890 WeakPolarHBondContact O-CB 3.26Å; D1886-L1890 VanDerWaalsContact O-CG 3.26Å; D1886-L1890 WeakPolarHBondContact O-CG 3.39Å; D1886-L1890 PolarHBondContact O-N 2.92Å; L1890-L1894 WeakPolarHBondContact O-CB 3.5Å; L1890-L1894 PolarHBondContact O-N 3.39Å
1891R83Confident81Confident164 Ų16496.1 Ų96.162%0.61947%0.472SS*.Hα-helixtrans-69.3-39.1172.2-82168.1169.2166.2-4112.1V1887 E1888 Q1889 C1895V1887-R1891 VanDerWaalsContact O-CB 3.29Å; V1887-R1891 WeakPolarHBondContact O-CB 3.14Å; V1887-R1891 WeakPolarHBondContact O-CG 3.28Å; V1887-R1891 PolarHBondContact O-N 3.32Å; E1888-R1891 PolarHBondContact O-N 3.48Å; Q1889-R1891 VanDerWaalsContact C-N 3.32Å; Q1889-R1891 PolarHBondContact O-N 2.86Å; R1891-C1895 VanDerWaalsContact O-CB 3.23Å; R1891-C1895 WeakPolarHBondContact O-CB 3.1Å; R1891-C1895 PolarHBondContact O-N 3.02Å
1892L82.4Confident80.9Confident127 Ų12795.3 Ų95.367%0.66547%0.468SS*.Hα-helixtrans-65.7-43.9173.3-73.2168.2000110.8E1888 Q1889 C1895 E1896E1888-L1892 WeakPolarHBondContact O-CG 3.21Å; E1888-L1892 PolarHBondContact O-N 3.43Å; Q1889-L1892 PolarHBondContact O-N 3.44Å; L1892-C1895 CarbonylContact O-C 3.59Å; L1892-C1895 WeakPolarHBondContact O-CB 3.2Å; L1892-C1895 PolarHBondContact O-N 2.94Å; L1892-C1895 VanDerWaalsContact O-N 3.15Å; L1892-E1896 PolarHBondContact O-N 2.81Å
1893Q78.4Confident80.8Confident106 Ų10699.1 Ų99.150%0.49548%0.483SS..Hα-helixtrans-64.8-41.2175.7-170170.1-1.500111.8Q1889 C1895 E1896 E1897Q1889-Q1893 WeakPolarHBondContact O-CB 3.43Å; Q1889-Q1893 PolarHBondContact O-N 3.26Å; Q1893-C1895 VanDerWaalsContact C-N 3.31Å; Q1893-C1895 PolarHBondContact O-N 2.8Å; Q1893-E1896 PolarHBondContact O-N 2.78Å; Q1893-E1897 PolarHBondContact O-N 2.91Å
1894L80Confident80.7Confident93 Ų93100.2 Ų100.249%0.48749%0.486SS..Hα-helixtrans-66.9-30.9172.2-171.871.3000112L1890 N1898L1890-L1894 WeakPolarHBondContact O-CB 3.5Å; L1890-L1894 PolarHBondContact O-N 3.39Å; L1894-N1898 WeakPolarHBondContact O-CB 3.18Å; L1894-N1898 VanDerWaalsContact O-CG 3.23Å; L1894-N1898 PolarHBondContact O-N 3.1Å; L1894-N1898 PolarHBondContact O-ND2 3.04Å
1895C79.8Confident80.7Confident74 Ų7498.4 Ų98.450%0.548%0.479SS..Hα-helixtrans-70.2-37.9172.8-166.50000111.2R1891 L1892 Q1893 T1899R1891-C1895 VanDerWaalsContact O-CB 3.23Å; R1891-C1895 WeakPolarHBondContact O-CB 3.1Å; R1891-C1895 PolarHBondContact O-N 3.02Å; L1892-C1895 CarbonylContact O-C 3.59Å; L1892-C1895 WeakPolarHBondContact O-CB 3.2Å; L1892-C1895 PolarHBondContact O-N 2.94Å; L1892-C1895 VanDerWaalsContact O-N 3.15Å; Q1893-C1895 VanDerWaalsContact C-N 3.31Å; Q1893-C1895 PolarHBondContact O-N 2.8Å; C1895-T1899 VanDerWaalsContact O-CB 3.32Å; C1895-T1899 WeakPolarHBondContact O-CB 3.46Å; C1895-T1899 PolarHBondContact O-N 3.07Å; C1895-T1899 PolarHBondContact O-OG1 2.66Å
1896E78.9Confident80.6Confident123 Ų12398.4 Ų98.458%0.57548%0.479SS*.Hα-helixtrans-70.2-41172.6-171.8164-158.200111.9L1892 Q1893 T1899 Q1900L1892-E1896 PolarHBondContact O-N 2.81Å; Q1893-E1896 PolarHBondContact O-N 2.78Å; E1896-T1899 CarbonylContact O-C 3.52Å; E1896-T1899 WeakPolarHBondContact O-CB 3.26Å; E1896-T1899 PolarHBondContact O-N 3.38Å; E1896-Q1900 WeakPolarHBondContact O-CG 3.22Å; E1896-Q1900 PolarHBondContact O-N 2.77Å
1897E77.6Confident80.5Confident111 Ų111100.1 Ų100.152%0.51949%0.485SS..Hα-helixtrans-63.9-39.5171.7-77-161133.400112.3Q1893 T1899 Q1900 T1901Q1893-E1897 PolarHBondContact O-N 2.91Å; E1897-T1899 VanDerWaalsContact C-N 3.33Å; E1897-Q1900 PolarHBondContact O-N 3.19Å; E1897-T1901 VanDerWaalsContact O-CB 3.3Å; E1897-T1901 WeakPolarHBondContact O-CB 3.35Å; E1897-T1901 PolarHBondContact O-N 3.02Å; E1897-T1901 PolarHBondContact O-OG1 3.49Å
1898N79.6Confident80.5Confident84 Ų84102.3 Ų102.345%0.44949%0.493SS..Hα-helixtrans-65.5-38.3171.8-80.4-40.9000111L1894 T1901 E1902L1894-N1898 WeakPolarHBondContact O-CB 3.18Å; L1894-N1898 VanDerWaalsContact O-CG 3.23Å; L1894-N1898 PolarHBondContact O-N 3.1Å; L1894-N1898 PolarHBondContact O-ND2 3.04Å; N1898-T1901 CarbonylContact O-C 3.56Å; N1898-T1901 WeakPolarHBondContact O-CB 3.49Å; N1898-T1901 PolarHBondContact O-N 3.48Å; N1898-T1901 VanDerWaalsContact O-N 3.17Å; N1898-E1902 PolarHBondContact O-N 3.3Å
1899T81.5Confident80.5Confident60 Ų60105.5 Ų105.537%0.36851%0.509SS..Hα-helixtrans-65.6-37.5174.3-60.80000111.7C1895 E1896 E1897 R1903C1895-T1899 VanDerWaalsContact O-CB 3.32Å; C1895-T1899 WeakPolarHBondContact O-CB 3.46Å; C1895-T1899 PolarHBondContact O-N 3.07Å; C1895-T1899 PolarHBondContact O-OG1 2.66Å; E1896-T1899 CarbonylContact O-C 3.52Å; E1896-T1899 WeakPolarHBondContact O-CB 3.26Å; E1896-T1899 PolarHBondContact O-N 3.38Å; E1897-T1899 VanDerWaalsContact C-N 3.33Å; T1899-R1903 WeakPolarHBondContact O-CG 3.41Å; T1899-R1903 PolarHBondContact O-N 3.28Å; T1899-R1903 VanDerWaalsContact O-N 3.13Å
1900Q77.7Confident80.5Confident87 Ų87103.7 Ų103.741%0.40751%0.506SS..Hα-helixtrans-68.3-38.4170.5-70.6-174.349.600111.3E1896 E1897 E1902 R1903 F1904E1896-Q1900 WeakPolarHBondContact O-CG 3.22Å; E1896-Q1900 PolarHBondContact O-N 2.77Å; E1897-Q1900 PolarHBondContact O-N 3.19Å; Q1900-E1902 VanDerWaalsContact C-N 3.34Å; Q1900-E1902 PolarHBondContact O-N 3.27Å; Q1900-R1903 WeakPolarHBondContact O-CB 3.48Å; Q1900-R1903 PolarHBondContact O-N 2.81Å; Q1900-F1904 HydrophobicContact CB-CE2 4.45Å; Q1900-F1904 WeakPolarHBondContact O-CD2 3.49Å; Q1900-F1904 PolarHBondContact O-N 3.01Å
1901T79.3Confident80.4Confident56 Ų56104 Ų10434%0.34451%0.508SS..Hα-helixtrans-65.3-35.8176.7-59.80000111.5E1897 N1898 F1904 R1905E1897-T1901 VanDerWaalsContact O-CB 3.3Å; E1897-T1901 WeakPolarHBondContact O-CB 3.35Å; E1897-T1901 PolarHBondContact O-N 3.02Å; E1897-T1901 PolarHBondContact O-OG1 3.49Å; N1898-T1901 CarbonylContact O-C 3.56Å; N1898-T1901 WeakPolarHBondContact O-CB 3.49Å; N1898-T1901 PolarHBondContact O-N 3.48Å; N1898-T1901 VanDerWaalsContact O-N 3.17Å; T1901-F1904 CarbonylContact O-C 3.58Å; T1901-F1904 PolarHBondContact O-N 2.84Å; T1901-R1905 WeakPolarHBondContact O-CG 3.33Å; T1901-R1905 PolarHBondContact O-N 3.15Å
1902E77.6Confident80.3Confident92 Ų92101.3 Ų101.343%0.4350%0.502SS..Hα-helixtrans-70.9-36171.9-75.8-51.9143.500113.2N1898 Q1900 F1904 R1905 T1906N1898-E1902 PolarHBondContact O-N 3.3Å; Q1900-E1902 VanDerWaalsContact C-N 3.34Å; Q1900-E1902 PolarHBondContact O-N 3.27Å; E1902-F1904 VanDerWaalsContact C-N 3.28Å; E1902-F1904 PolarHBondContact O-N 3.06Å; E1902-R1905 PolarHBondContact O-N 3.26Å; E1902-R1905 WeakPolarHBondContact OE1-CD 3.44Å; E1902-R1905 IonicContact OE1-CZ 2.68Å; E1902-R1905 IonicContact OE1-NE 2.73Å; E1902-R1905 IonicContact OE1-NH1 3.56Å; E1902-R1905 PolarHBondContact OE1-NH1 3.49Å; E1902-T1906 WeakPolarHBondContact O-CB 3.2Å; E1902-T1906 WeakPolarHBondContact O-CG2 3.32Å; E1902-T1906 PolarHBondContact O-N 3.41Å; E1902-T1906 PolarHBondContact O-OG1 2.97Å
1903R80.6Confident80.3Confident157 Ų15799 Ų9959%0.59250%0.497SS*.Hα-helixtrans-60.8-41.3167.8-67.1170.5-163177.48.1110.5T1899 Q1900 T1906 E1907T1899-R1903 WeakPolarHBondContact O-CG 3.41Å; T1899-R1903 PolarHBondContact O-N 3.28Å; T1899-R1903 VanDerWaalsContact O-N 3.13Å; Q1900-R1903 WeakPolarHBondContact O-CB 3.48Å; Q1900-R1903 PolarHBondContact O-N 2.81Å; R1903-T1906 PolarHBondContact O-OG1 3.45Å; R1903-T1906 VanDerWaalsContact O-OG1 3.11Å; R1903-E1907 WeakPolarHBondContact O-CB 3.46Å; R1903-E1907 WeakPolarHBondContact O-CG 3.37Å; R1903-E1907 PolarHBondContact O-N 3.49Å
1904F79.7Confident80.6Confident124 Ų12496.3 Ų96.354%0.54449%0.493SS..Hα-helixtrans-70.5-35.1174.6-71-53.7000113.5Q1900 T1901 E1902 L1908Q1900-F1904 HydrophobicContact CB-CE2 4.45Å; Q1900-F1904 WeakPolarHBondContact O-CD2 3.49Å; Q1900-F1904 PolarHBondContact O-N 3.01Å; T1901-F1904 CarbonylContact O-C 3.58Å; T1901-F1904 PolarHBondContact O-N 2.84Å; E1902-F1904 VanDerWaalsContact C-N 3.28Å; E1902-F1904 PolarHBondContact O-N 3.06Å; F1904-L1908 VanDerWaalsContact O-CB 3.31Å; F1904-L1908 WeakPolarHBondContact O-CB 3.41Å; F1904-L1908 PolarHBondContact O-N 2.56Å
1905R81.8Confident80.9Confident94 Ų9496.9 Ų96.936%0.35549%0.491SS..Hα-helixtrans-64.1-48.6173.3-79.5-170178.6101.80.1110.4E1153 T1901 E1902 L1908 E1909E1153-R1905 IonicContact OE1-CZ 2.66Å; E1153-R1905 IonicContact OE1-NE 3.69Å; E1153-R1905 IonicContact OE1-NH2 3.31Å; E1153-R1905 PolarHBondContact OE1-NH2 3.07Å; T1901-R1905 WeakPolarHBondContact O-CG 3.33Å; T1901-R1905 PolarHBondContact O-N 3.15Å; E1902-R1905 PolarHBondContact O-N 3.26Å; E1902-R1905 WeakPolarHBondContact OE1-CD 3.44Å; E1902-R1905 IonicContact OE1-CZ 2.68Å; E1902-R1905 IonicContact OE1-NE 2.73Å; E1902-R1905 IonicContact OE1-NH1 3.56Å; E1902-R1905 PolarHBondContact OE1-NH1 3.49Å; R1905-L1908 CarbonylContact O-C 3.57Å; R1905-L1908 WeakPolarHBondContact O-CA 3.13Å; R1905-L1908 VanDerWaalsContact O-CB 3.28Å; R1905-L1908 WeakPolarHBondContact O-CB 3.44Å; R1905-L1908 PolarHBondContact O-N 2.7Å; R1905-E1909 WeakPolarHBondContact O-CG 3.11Å; R1905-E1909 PolarHBondContact O-N 3.48Å
1906T81.2Confident81.2Confident73 Ų7396.8 Ų96.845%0.44849%0.489SS..Hα-helixtrans-67.4-34.2177.651.90000112.8E1902 R1903 E1909 T1910E1902-T1906 WeakPolarHBondContact O-CB 3.2Å; E1902-T1906 WeakPolarHBondContact O-CG2 3.32Å; E1902-T1906 PolarHBondContact O-N 3.41Å; E1902-T1906 PolarHBondContact O-OG1 2.97Å; R1903-T1906 PolarHBondContact O-OG1 3.45Å; R1903-T1906 VanDerWaalsContact O-OG1 3.11Å; T1906-E1909 PolarHBondContact O-N 3.16Å; T1906-T1910 WeakPolarHBondContact O-CB 3.19Å; T1906-T1910 WeakPolarHBondContact O-CG2 3.16Å; T1906-T1910 PolarHBondContact O-N 2.78Å; T1906-T1910 PolarHBondContact O-OG1 3.23Å
1907E81.2Confident81.3Confident112 Ų11296.5 Ų96.552%0.52349%0.487SS..Hα-helixtrans-63.2-39.4164.6-78.2-168.7177.500111.9R1903 T1910 L1911R1903-E1907 WeakPolarHBondContact O-CB 3.46Å; R1903-E1907 WeakPolarHBondContact O-CG 3.37Å; R1903-E1907 PolarHBondContact O-N 3.49Å; E1907-T1910 WeakPolarHBondContact CA-OG1 3.25Å; E1907-T1910 PolarHBondContact O-OG1 3.35Å; E1907-T1910 VanDerWaalsContact O-OG1 3.08Å; E1907-L1911 WeakPolarHBondContact O-CB 3.39Å; E1907-L1911 WeakPolarHBondContact O-CD1 3.49Å; E1907-L1911 WeakPolarHBondContact O-CG 3.42Å; E1907-L1911 PolarHBondContact O-N 2.66Å
1908L82.1Confident81.5Confident113 Ų11393.8 Ų93.859%0.59248%0.484SS*.Hα-helixtrans-66.5-38.4175.9-120.6161000112.6F1904 R1905 L1911 Q1912F1904-L1908 VanDerWaalsContact O-CB 3.31Å; F1904-L1908 WeakPolarHBondContact O-CB 3.41Å; F1904-L1908 PolarHBondContact O-N 2.56Å; R1905-L1908 CarbonylContact O-C 3.57Å; R1905-L1908 WeakPolarHBondContact O-CA 3.13Å; R1905-L1908 VanDerWaalsContact O-CB 3.28Å; R1905-L1908 WeakPolarHBondContact O-CB 3.44Å; R1905-L1908 PolarHBondContact O-N 2.7Å; L1908-L1911 CarbonylContact O-C 3.5Å; L1908-Q1912 WeakPolarHBondContact O-CA 3.25Å; L1908-Q1912 WeakPolarHBondContact O-CB 3.17Å; L1908-Q1912 PolarHBondContact O-N 3.13Å
1909E81.7Confident81.7Confident131 Ų13194.6 Ų94.661%0.61249%0.485SS*.Hα-helixtrans-71.9-39.6177.1-71.2-157.8136.800112.5R1905 T1906 Q1912 S1913R1905-E1909 WeakPolarHBondContact O-CG 3.11Å; R1905-E1909 PolarHBondContact O-N 3.48Å; T1906-E1909 PolarHBondContact O-N 3.16Å; E1909-Q1912 PolarHBondContact O-N 3.4Å; E1909-S1913 VanDerWaalsContact O-CB 3.3Å; E1909-S1913 WeakPolarHBondContact O-CB 3.28Å; E1909-S1913 PolarHBondContact O-N 3.3Å; E1909-S1913 PolarHBondContact O-OG 3.31Å
1910T82.6Confident81.8Confident91 Ų9196.5 Ų96.556%0.55849%0.493SS*.Hα-helixtrans-69.6-38.5173.452.60000111T1906 E1907 S1913 A1914T1906-T1910 WeakPolarHBondContact O-CB 3.19Å; T1906-T1910 WeakPolarHBondContact O-CG2 3.16Å; T1906-T1910 PolarHBondContact O-N 2.78Å; T1906-T1910 PolarHBondContact O-OG1 3.23Å; E1907-T1910 WeakPolarHBondContact CA-OG1 3.25Å; E1907-T1910 PolarHBondContact O-OG1 3.35Å; E1907-T1910 VanDerWaalsContact O-OG1 3.08Å; T1910-S1913 PolarHBondContact O-N 2.9Å; T1910-A1914 VanDerWaalsContact O-CB 3.24Å; T1910-A1914 WeakPolarHBondContact O-CB 3.25Å; T1910-A1914 PolarHBondContact O-N 2.79Å
1911L81.3Confident82Confident113 Ų11397.4 Ų97.459%0.59250%0.497SS*.Hα-helixtrans-66.2-34.2169.3-75170.1000112.6E1907 L1908 K1915E1907-L1911 WeakPolarHBondContact O-CB 3.39Å; E1907-L1911 WeakPolarHBondContact O-CD1 3.49Å; E1907-L1911 WeakPolarHBondContact O-CG 3.42Å; E1907-L1911 PolarHBondContact O-N 2.66Å; L1908-L1911 CarbonylContact O-C 3.5Å; L1911-K1915 WeakPolarHBondContact O-CB 3.4Å; L1911-K1915 PolarHBondContact O-N 2.79Å
1912Q82Confident82.2Confident106 Ų10699.7 Ų99.750%0.49551%0.507SS..Hα-helixtrans-74-36.3176.4-177.4145.8-92.100111.5L1908 E1909 K1915 V1916L1908-Q1912 WeakPolarHBondContact O-CA 3.25Å; L1908-Q1912 WeakPolarHBondContact O-CB 3.17Å; L1908-Q1912 PolarHBondContact O-N 3.13Å; E1909-Q1912 PolarHBondContact O-N 3.4Å; Q1912-K1915 WeakPolarHBondContact O-CB 3.26Å; Q1912-K1915 PolarHBondContact O-N 2.79Å; Q1912-V1916 WeakPolarHBondContact O-CG2 3.07Å; Q1912-V1916 PolarHBondContact O-N 3.5Å
1913S82.4Confident82.3Confident79 Ų7998 Ų9855%0.55251%0.505SS*.Hα-helixtrans-65.4-45.2170.3-62.10000110.9E1909 T1910 K1915 V1916 Q1917E1909-S1913 VanDerWaalsContact O-CB 3.3Å; E1909-S1913 WeakPolarHBondContact O-CB 3.28Å; E1909-S1913 PolarHBondContact O-N 3.3Å; E1909-S1913 PolarHBondContact O-OG 3.31Å; T1910-S1913 PolarHBondContact O-N 2.9Å; S1913-K1915 VanDerWaalsContact C-N 3.31Å; S1913-K1915 PolarHBondContact O-N 2.91Å; S1913-V1916 PolarHBondContact O-N 3.28Å; S1913-Q1917 PolarHBondContact O-N 3.39Å
1914A83.7Confident82.3Confident50 Ų5094.3 Ų94.341%0.41350%0.503SS..Hα-helixtrans-64-33.817300000112.3T1910 A1918T1910-A1914 VanDerWaalsContact O-CB 3.24Å; T1910-A1914 WeakPolarHBondContact O-CB 3.25Å; T1910-A1914 PolarHBondContact O-N 2.79Å; A1914-A1918 WeakPolarHBondContact O-CB 3.3Å; A1914-A1918 PolarHBondContact O-N 2.79Å
1915K87.3Confident82.4Confident104 Ų10491.1 Ų91.145%0.45250%0.496SS..Hα-helixtrans-67.3-44.5171.9173.5-169.7162.4-163.30111.3L1911 Q1912 S1913 Q1917 A1918 E1919L1911-K1915 WeakPolarHBondContact O-CB 3.4Å; L1911-K1915 PolarHBondContact O-N 2.79Å; Q1912-K1915 WeakPolarHBondContact O-CB 3.26Å; Q1912-K1915 PolarHBondContact O-N 2.79Å; S1913-K1915 VanDerWaalsContact C-N 3.31Å; S1913-K1915 PolarHBondContact O-N 2.91Å; K1915-Q1917 VanDerWaalsContact C-N 3.33Å; K1915-Q1917 PolarHBondContact O-N 2.75Å; K1915-A1918 CarbonylContact O-C 3.59Å; K1915-A1918 PolarHBondContact O-N 3.31Å; K1915-E1919 WeakPolarHBondContact CE-OE1 3.2Å; K1915-E1919 HydrophobicContact CG-CG 4.4Å; K1915-E1919 WeakPolarHBondContact O-CB 3.35Å; K1915-E1919 WeakPolarHBondContact O-CG 3.4Å; K1915-E1919 PolarHBondContact O-N 3.02Å
1916V84.5Confident82.5Confident73 Ų7390 Ų9044%0.44250%0.497SS..Hα-helixtrans-65.7-37.1175.9169.20000110.8Q1912 S1913 E1919 N1920Q1912-V1916 WeakPolarHBondContact O-CG2 3.07Å; Q1912-V1916 PolarHBondContact O-N 3.5Å; S1913-V1916 PolarHBondContact O-N 3.28Å; V1916-E1919 PolarHBondContact O-N 2.82Å; V1916-N1920 WeakPolarHBondContact O-CB 3.37Å; V1916-N1920 PolarHBondContact O-N 2.75Å; V1916-N1920 PolarHBondContact O-ND2 2.86Å
1917Q82.9Confident82.6Confident117 Ų11791.2 Ų91.255%0.54750%0.501SS..Hα-helixtrans-61.7-50.4168.9-177.8-178.7-28.200110.9S1913 K1915 E1919 N1920 E1921S1913-Q1917 PolarHBondContact O-N 3.39Å; K1915-Q1917 VanDerWaalsContact C-N 3.33Å; K1915-Q1917 PolarHBondContact O-N 2.75Å; Q1917-E1919 VanDerWaalsContact C-N 3.28Å; Q1917-E1919 PolarHBondContact O-N 2.78Å; Q1917-N1920 CarbonylContact O-C 3.51Å; Q1917-N1920 WeakPolarHBondContact O-CB 3.2Å; Q1917-N1920 PolarHBondContact O-N 3.11Å; Q1917-N1920 VanDerWaalsContact O-N 3.08Å; Q1917-E1921 WeakPolarHBondContact CG-OE1 3.38Å; Q1917-E1921 PolarHBondContact NE2-OE1 3.41Å; Q1917-E1921 WeakPolarHBondContact O-CG 3.22Å; Q1917-E1921 PolarHBondContact O-N 2.82Å
1918A81Confident82.7Confident54 Ų5490.6 Ų90.645%0.44650%0.501SS..Hα-helixtrans-62.7-31.8178.700000112.6A1914 K1915 L1922A1914-A1918 WeakPolarHBondContact O-CB 3.3Å; A1914-A1918 PolarHBondContact O-N 2.79Å; K1915-A1918 CarbonylContact O-C 3.59Å; K1915-A1918 PolarHBondContact O-N 3.31Å; A1918-L1922 WeakPolarHBondContact O-CA 3.42Å; A1918-L1922 WeakPolarHBondContact O-CB 3.38Å; A1918-L1922 PolarHBondContact O-N 3.36Å
1919E84.3Confident82.7Confident101 Ų10189.5 Ų89.547%0.47250%0.495SS..Hα-helixtrans-73.8-32.9173.7-77.5177.3-179.900111.7K1915 V1916 Q1917 L1922 S1923K1915-E1919 WeakPolarHBondContact CE-OE1 3.2Å; K1915-E1919 HydrophobicContact CG-CG 4.4Å; K1915-E1919 WeakPolarHBondContact O-CB 3.35Å; K1915-E1919 WeakPolarHBondContact O-CG 3.4Å; K1915-E1919 PolarHBondContact O-N 3.02Å; V1916-E1919 PolarHBondContact O-N 2.82Å; Q1917-E1919 VanDerWaalsContact C-N 3.28Å; Q1917-E1919 PolarHBondContact O-N 2.78Å; E1919-L1922 CarbonylContact O-C 3.53Å; E1919-L1922 PolarHBondContact O-N 2.79Å; E1919-S1923 WeakPolarHBondContact O-CB 3.33Å; E1919-S1923 PolarHBondContact O-N 3.23Å
1920N83.1Confident82.7Confident99 Ų9988.7 Ų88.753%0.52949%0.491SS..Hα-helixtrans-70.6-37.8169.5-78.4-57.6000112.3V1916 Q1917 S1923 S1924V1916-N1920 WeakPolarHBondContact O-CB 3.37Å; V1916-N1920 PolarHBondContact O-N 2.75Å; V1916-N1920 PolarHBondContact O-ND2 2.86Å; Q1917-N1920 CarbonylContact O-C 3.51Å; Q1917-N1920 WeakPolarHBondContact O-CB 3.2Å; Q1917-N1920 PolarHBondContact O-N 3.11Å; Q1917-N1920 VanDerWaalsContact O-N 3.08Å; N1920-S1923 PolarHBondContact O-N 2.87Å; N1920-S1924 WeakPolarHBondContact O-CB 3.46Å; N1920-S1924 PolarHBondContact O-N 3.43Å; N1920-S1924 PolarHBondContact O-OG 2.86Å
1921E82.4Confident82.7Confident107 Ų10790.4 Ų90.450%0.549%0.492SS..Hα-helixtrans-69.2-35.8171.2-71.5-179-152.500111.7Q1917 S1925Q1917-E1921 WeakPolarHBondContact CG-OE1 3.38Å; Q1917-E1921 PolarHBondContact NE2-OE1 3.41Å; Q1917-E1921 WeakPolarHBondContact O-CG 3.22Å; Q1917-E1921 PolarHBondContact O-N 2.82Å; E1921-S1925 WeakPolarHBondContact O-CB 3.2Å; E1921-S1925 PolarHBondContact O-N 2.76Å; E1921-S1925 PolarHBondContact O-OG 3.12Å
1922L82.2Confident82.9Confident104 Ų10489.9 Ų89.955%0.54549%0.49SS..Hα-helixtrans-72.8-31.4173-16383.9000111.4A1918 E1919 S1925 N1926A1918-L1922 WeakPolarHBondContact O-CA 3.42Å; A1918-L1922 WeakPolarHBondContact O-CB 3.38Å; A1918-L1922 PolarHBondContact O-N 3.36Å; E1919-L1922 CarbonylContact O-C 3.53Å; E1919-L1922 PolarHBondContact O-N 2.79Å; L1922-S1925 CarbonylContact O-C 3.54Å; L1922-N1926 WeakPolarHBondContact O-CA 3.19Å; L1922-N1926 WeakPolarHBondContact O-CB 3.4Å; L1922-N1926 VanDerWaalsContact O-CG 3.27Å; L1922-N1926 PolarHBondContact O-N 2.93Å; L1922-N1926 PolarHBondContact O-ND2 2.81Å
1923S80.9Confident83.1Confident57 Ų5791.5 Ų91.540%0.39950%0.495SS..Hα-helixtrans-68.8-45.5172.3-176.40000110.6E1919 N1920 S1925 N1926 N1927E1919-S1923 WeakPolarHBondContact O-CB 3.33Å; E1919-S1923 PolarHBondContact O-N 3.23Å; N1920-S1923 PolarHBondContact O-N 2.87Å; S1923-S1925 VanDerWaalsContact C-N 3.34Å; S1923-S1925 PolarHBondContact O-N 2.7Å; S1923-N1926 CarbonylContact O-C 3.55Å; S1923-N1926 WeakPolarHBondContact O-CB 3.45Å; S1923-N1926 PolarHBondContact O-N 2.9Å; S1923-N1926 VanDerWaalsContact O-N 3.12Å; S1923-N1927 PolarHBondContact O-N 3.4Å; S1923-N1927 PolarHBondContact O-ND2 2.81Å
1924S79.2Confident83.3Confident78 Ų7892.6 Ų92.655%0.54549%0.494SS..Hα-helixtrans-59.9-44.1171.3-58.70000111.5N1920 N1926 N1927 L1928N1920-S1924 WeakPolarHBondContact O-CB 3.46Å; N1920-S1924 PolarHBondContact O-N 3.43Å; N1920-S1924 PolarHBondContact O-OG 2.86Å; S1924-N1926 VanDerWaalsContact C-N 3.34Å; S1924-N1926 PolarHBondContact O-N 3.3Å; S1924-N1927 PolarHBondContact O-N 2.83Å; S1924-L1928 PolarHBondContact O-N 2.86Å
1925S81.9Confident83.2Confident57 Ų5793.1 Ų93.140%0.39949%0.494SS..Hα-helixtrans-67.5-31.6173.8-60.90000112.4E1921 L1922 S1923 L1928 I1929E1921-S1925 WeakPolarHBondContact O-CB 3.2Å; E1921-S1925 PolarHBondContact O-N 2.76Å; E1921-S1925 PolarHBondContact O-OG 3.12Å; L1922-S1925 CarbonylContact O-C 3.54Å; S1923-S1925 VanDerWaalsContact C-N 3.34Å; S1923-S1925 PolarHBondContact O-N 2.7Å; S1925-L1928 CarbonylContact O-C 3.54Å; S1925-L1928 PolarHBondContact O-N 2.75Å; S1925-I1929 VanDerWaalsContact O-CB 3.29Å; S1925-I1929 WeakPolarHBondContact O-CB 3.33Å; S1925-I1929 WeakPolarHBondContact O-CD1 3.46Å; S1925-I1929 WeakPolarHBondContact O-CG1 3.43Å; S1925-I1929 PolarHBondContact O-N 2.74Å
1926N84.6Confident83.1Confident72 Ų7293.8 Ų93.839%0.38550%0.502SS..Hα-helixtrans-71.8-34.7174.5-90.5-48.5000111.5L1922 S1923 S1924 I1929 Q1930L1922-N1926 WeakPolarHBondContact O-CA 3.19Å; L1922-N1926 WeakPolarHBondContact O-CB 3.4Å; L1922-N1926 VanDerWaalsContact O-CG 3.27Å; L1922-N1926 PolarHBondContact O-N 2.93Å; L1922-N1926 PolarHBondContact O-ND2 2.81Å; S1923-N1926 CarbonylContact O-C 3.55Å; S1923-N1926 WeakPolarHBondContact O-CB 3.45Å; S1923-N1926 PolarHBondContact O-N 2.9Å; S1923-N1926 VanDerWaalsContact O-N 3.12Å; S1924-N1926 VanDerWaalsContact C-N 3.34Å; S1924-N1926 PolarHBondContact O-N 3.3Å; N1926-I1929 CarbonylContact O-C 3.59Å; N1926-I1929 PolarHBondContact O-N 3.39Å; N1926-Q1930 WeakPolarHBondContact O-CB 3.35Å; N1926-Q1930 VanDerWaalsContact O-CG 3.31Å; N1926-Q1930 WeakPolarHBondContact O-CG 3.26Å; N1926-Q1930 PolarHBondContact O-N 3.19Å
1927N83.7Confident83Confident97 Ų9793.5 Ų93.552%0.51950%0.501SS..Hα-helixtrans-64.3-44.3169.1-70.3-39.5000110.5S1923 S1924 I1929 Q1930 E1931S1923-N1927 PolarHBondContact O-N 3.4Å; S1923-N1927 PolarHBondContact O-ND2 2.81Å; S1924-N1927 PolarHBondContact O-N 2.83Å; N1927-I1929 VanDerWaalsContact C-N 3.35Å; N1927-I1929 PolarHBondContact O-N 2.84Å; N1927-Q1930 WeakPolarHBondContact O-CB 3.41Å; N1927-Q1930 PolarHBondContact O-N 2.77Å; N1927-E1931 PolarHBondContact O-N 3.42Å
1928L82.1Confident83.1Confident99 Ų9992.5 Ų92.552%0.51850%0.499SS..Hα-helixtrans-64.7-36.2174-156.5105.3000112.4S1924 S1925 E1931 L1932S1924-L1928 PolarHBondContact O-N 2.86Å; S1925-L1928 CarbonylContact O-C 3.54Å; S1925-L1928 PolarHBondContact O-N 2.75Å; L1928-E1931 PolarHBondContact O-N 3.11Å; L1928-L1932 HydrophobicContact CD2-CD1 4.03Å; L1928-L1932 VanDerWaalsContact O-CB 3.26Å; L1928-L1932 WeakPolarHBondContact O-CB 3.32Å; L1928-L1932 VanDerWaalsContact O-CG 3.23Å; L1928-L1932 WeakPolarHBondContact O-CG 3.35Å; L1928-L1932 PolarHBondContact O-N 3.47Å
1929I83.2Confident83.1Confident91 Ų9193.7 Ų93.747%0.46750%0.496SS..Hα-helixtrans-70.3-33.6173.5-73.6162.4000110.6S1925 N1926 N1927 K1933S1925-I1929 VanDerWaalsContact O-CB 3.29Å; S1925-I1929 WeakPolarHBondContact O-CB 3.33Å; S1925-I1929 WeakPolarHBondContact O-CD1 3.46Å; S1925-I1929 WeakPolarHBondContact O-CG1 3.43Å; S1925-I1929 PolarHBondContact O-N 2.74Å; N1926-I1929 CarbonylContact O-C 3.59Å; N1926-I1929 PolarHBondContact O-N 3.39Å; N1927-I1929 VanDerWaalsContact C-N 3.35Å; N1927-I1929 PolarHBondContact O-N 2.84Å; I1929-K1933 WeakPolarHBondContact O-CA 3.36Å; I1929-K1933 WeakPolarHBondContact O-CB 3.45Å; I1929-K1933 PolarHBondContact O-N 2.9Å
1930Q80.8Confident83.2Confident114 Ų11495 Ų9553%0.53350%0.5SS..Hα-helixtrans-68-42.1171.4-78.5-17359.200111.3N1926 N1927 K1933 I1934N1926-Q1930 WeakPolarHBondContact O-CB 3.35Å; N1926-Q1930 VanDerWaalsContact O-CG 3.31Å; N1926-Q1930 WeakPolarHBondContact O-CG 3.26Å; N1926-Q1930 PolarHBondContact O-N 3.19Å; N1927-Q1930 WeakPolarHBondContact O-CB 3.41Å; N1927-Q1930 PolarHBondContact O-N 2.77Å; Q1930-K1933 CarbonylContact O-C 3.52Å; Q1930-K1933 PolarHBondContact O-N 3.49Å; Q1930-I1934 WeakPolarHBondContact O-CB 3.38Å; Q1930-I1934 VanDerWaalsContact O-CG1 3.28Å; Q1930-I1934 WeakPolarHBondContact O-CG1 3.48Å; Q1930-I1934 PolarHBondContact O-N 2.67Å
1931E82.6Confident83.3Confident126 Ų12694.1 Ų94.159%0.58950%0.495SS*.Hα-helixtrans-65.8-40.8174.5-171.7171.2-141.200112N1927 L1928 K1933 I1934 S1935N1927-E1931 PolarHBondContact O-N 3.42Å; L1928-E1931 PolarHBondContact O-N 3.11Å; E1931-K1933 VanDerWaalsContact C-N 3.34Å; E1931-I1934 PolarHBondContact O-N 3.35Å; E1931-S1935 VanDerWaalsContact O-CB 3.3Å; E1931-S1935 WeakPolarHBondContact O-CB 3.32Å; E1931-S1935 PolarHBondContact O-N 3.09Å; E1931-S1935 PolarHBondContact O-OG 2.85Å
1932L85.2Confident83.4Confident103 Ų10396.2 Ų96.254%0.53950%0.498SS..Hα-helixtrans-67.5-30.5170.6-74.2171.3000112.4L1928 L1936L1928-L1932 HydrophobicContact CD2-CD1 4.03Å; L1928-L1932 VanDerWaalsContact O-CB 3.26Å; L1928-L1932 WeakPolarHBondContact O-CB 3.32Å; L1928-L1932 VanDerWaalsContact O-CG 3.23Å; L1928-L1932 WeakPolarHBondContact O-CG 3.35Å; L1928-L1932 PolarHBondContact O-N 3.47Å; L1932-L1936 WeakPolarHBondContact O-CB 3.45Å; L1932-L1936 PolarHBondContact O-N 3.35Å
1933K87.6Confident83.3Confident140 Ų14093.7 Ų93.761%0.60949%0.492SS*.Hα-helixtrans-76.3-35.3175.5-178.8-179.9-179-177.50111.5I1929 Q1930 E1931 T1937I1929-K1933 WeakPolarHBondContact O-CA 3.36Å; I1929-K1933 WeakPolarHBondContact O-CB 3.45Å; I1929-K1933 PolarHBondContact O-N 2.9Å; Q1930-K1933 CarbonylContact O-C 3.52Å; Q1930-K1933 PolarHBondContact O-N 3.49Å; E1931-K1933 VanDerWaalsContact C-N 3.34Å; K1933-T1937 VanDerWaalsContact O-CB 3.24Å; K1933-T1937 WeakPolarHBondContact O-CB 3.13Å; K1933-T1937 PolarHBondContact O-N 2.9Å; K1933-T1937 PolarHBondContact O-OG1 3.46Å
1934I85.6Confident83.3Confident102 Ų10296 Ų9652%0.52350%0.497SS..Hα-helixtrans-65.7-46.4168.7-70.7163.7000108.9Q1930 E1931 L1936 T1937 N1938Q1930-I1934 WeakPolarHBondContact O-CB 3.38Å; Q1930-I1934 VanDerWaalsContact O-CG1 3.28Å; Q1930-I1934 WeakPolarHBondContact O-CG1 3.48Å; Q1930-I1934 PolarHBondContact O-N 2.67Å; E1931-I1934 PolarHBondContact O-N 3.35Å; I1934-L1936 PolarHBondContact O-N 2.91Å; I1934-T1937 CarbonylContact O-C 3.55Å; I1934-T1937 PolarHBondContact O-N 3.31Å; I1934-T1937 VanDerWaalsContact O-N 3.17Å; I1934-N1938 WeakPolarHBondContact O-CB 3.3Å; I1934-N1938 VanDerWaalsContact O-CG 3.26Å; I1934-N1938 PolarHBondContact O-N 3.36Å; I1934-N1938 PolarHBondContact O-ND2 3.01Å
1935S82.5Confident83.4Confident61 Ų6195.5 Ų95.543%0.42749%0.493SS..Hα-helixtrans-62.4-41.5175.4-61.90000112.5E1931 T1937 N1938 E1939E1931-S1935 VanDerWaalsContact O-CB 3.3Å; E1931-S1935 WeakPolarHBondContact O-CB 3.32Å; E1931-S1935 PolarHBondContact O-N 3.09Å; E1931-S1935 PolarHBondContact O-OG 2.85Å; S1935-T1937 VanDerWaalsContact C-N 3.34Å; S1935-N1938 PolarHBondContact O-N 3.11Å; S1935-E1939 VanDerWaalsContact O-CB 3.3Å; S1935-E1939 WeakPolarHBondContact O-CB 3.47Å; S1935-E1939 PolarHBondContact O-N 3.08Å
1936L85.1Confident83.5Confident118 Ų11897.1 Ų97.162%0.61850%0.497SS*.Hα-helixtrans-70.3-29.8174.5-179.762.7000111.9L1932 I1934 K1940L1932-L1936 WeakPolarHBondContact O-CB 3.45Å; L1932-L1936 PolarHBondContact O-N 3.35Å; I1934-L1936 PolarHBondContact O-N 2.91Å; L1936-K1940 WeakPolarHBondContact O-CA 3.48Å; L1936-K1940 WeakPolarHBondContact O-CB 3.29Å; L1936-K1940 PolarHBondContact O-N 2.86Å
1937T83Confident83.5Confident66 Ų6699.5 Ų99.541%0.40550%0.504SS..Hα-helixtrans-73.4-40.8172.8-58.60000110.4K1933 I1934 S1935 K1940 N1941K1933-T1937 VanDerWaalsContact O-CB 3.24Å; K1933-T1937 WeakPolarHBondContact O-CB 3.13Å; K1933-T1937 PolarHBondContact O-N 2.9Å; K1933-T1937 PolarHBondContact O-OG1 3.46Å; I1934-T1937 CarbonylContact O-C 3.55Å; I1934-T1937 PolarHBondContact O-N 3.31Å; I1934-T1937 VanDerWaalsContact O-N 3.17Å; S1935-T1937 VanDerWaalsContact C-N 3.34Å; T1937-K1940 PolarHBondContact O-N 3.41Å; T1937-N1941 WeakPolarHBondContact O-CB 3.43Å; T1937-N1941 PolarHBondContact O-N 3.46Å; T1937-N1941 PolarHBondContact O-ND2 3.48Å; T1937-N1941 PolarHBondContact O-OD1 2.79Å
1938N84.7Confident83.5Confident96 Ų9699.6 Ų99.651%0.51350%0.504SS..Hα-helixtrans-63.1-41.5171.6-71.1-23.9000111.4I1934 S1935 N1941 R1942I1934-N1938 WeakPolarHBondContact O-CB 3.3Å; I1934-N1938 VanDerWaalsContact O-CG 3.26Å; I1934-N1938 PolarHBondContact O-N 3.36Å; I1934-N1938 PolarHBondContact O-ND2 3.01Å; S1935-N1938 PolarHBondContact O-N 3.11Å; N1938-N1941 PolarHBondContact O-N 2.8Å; N1938-R1942 WeakPolarHBondContact O-CB 3.3Å; N1938-R1942 PolarHBondContact O-N 3.48Å
1939E81.1Confident83.4Confident80 Ų8099.9 Ų99.937%0.37450%0.502SS..Hα-helixtrans-73.5-30.5176.2-164.458.5-15000112.1S1935 R1942 A1943S1935-E1939 VanDerWaalsContact O-CB 3.3Å; S1935-E1939 WeakPolarHBondContact O-CB 3.47Å; S1935-E1939 PolarHBondContact O-N 3.08Å; E1939-R1942 VanDerWaalsContact CD-NE 3.32Å; E1939-R1942 CarbonylContact O-C 3.59Å; E1939-R1942 PolarHBondContact O-N 3.15Å; E1939-R1942 IonicContact OE1-CZ 3.26Å; E1939-R1942 VanDerWaalsContact OE1-CZ 3.26Å; E1939-R1942 IonicContact OE1-NE 2.96Å; E1939-R1942 PolarHBondContact OE1-NE 2.65Å; E1939-R1942 IonicContact OE1-NH2 2.74Å; E1939-R1942 PolarHBondContact OE1-NH2 3.07Å; E1939-R1942 IonicContact OE2-CZ 3.06Å; E1939-R1942 IonicContact OE2-NE 2.91Å; E1939-R1942 PolarHBondContact OE2-NE 3.05Å; E1939-R1942 IonicContact OE2-NH2 2.92Å; E1939-R1942 PolarHBondContact OE2-NH2 2.96Å; E1939-A1943 WeakPolarHBondContact O-CB 3.33Å; E1939-A1943 PolarHBondContact O-N 2.91Å
1940K85.3Confident83.3Confident129 Ų129100.4 Ų100.456%0.56151%0.505SS*.Hα-helixtrans-69.4-38.3169.8-179.1-179.9176.8-175.70111.2L1936 T1937 A1943 Q1944L1936-K1940 WeakPolarHBondContact O-CA 3.48Å; L1936-K1940 WeakPolarHBondContact O-CB 3.29Å; L1936-K1940 PolarHBondContact O-N 2.86Å; T1937-K1940 PolarHBondContact O-N 3.41Å; K1940-A1943 CarbonylContact O-C 3.58Å; K1940-A1943 PolarHBondContact O-N 2.87Å; K1940-Q1944 VanDerWaalsContact O-CB 3.31Å; K1940-Q1944 WeakPolarHBondContact O-CB 3.41Å; K1940-Q1944 WeakPolarHBondContact O-CG 3.15Å; K1940-Q1944 PolarHBondContact O-N 3.32Å
1941N86.2Confident83.2Confident80 Ų8098.8 Ų98.843%0.42850%0.5SS..Hα-helixtrans-66.9-40.3172.6-68.1-17.3000110.3T1937 N1938 Q1944 S1945T1937-N1941 WeakPolarHBondContact O-CB 3.43Å; T1937-N1941 PolarHBondContact O-N 3.46Å; T1937-N1941 PolarHBondContact O-ND2 3.48Å; T1937-N1941 PolarHBondContact O-OD1 2.79Å; N1938-N1941 PolarHBondContact O-N 2.8Å; N1941-Q1944 PolarHBondContact O-N 2.76Å; N1941-S1945 WeakPolarHBondContact O-CB 3.13Å; N1941-S1945 PolarHBondContact O-N 2.77Å
1942R83Confident83Confident151 Ų15198.7 Ų98.757%0.5750%0.5SS*.Hα-helixtrans-66.4-40173.4-162.6170.576.4164.41.8111.5N1938 E1939 S1945 L1946N1938-R1942 WeakPolarHBondContact O-CB 3.3Å; N1938-R1942 PolarHBondContact O-N 3.48Å; E1939-R1942 VanDerWaalsContact CD-NE 3.32Å; E1939-R1942 CarbonylContact O-C 3.59Å; E1939-R1942 PolarHBondContact O-N 3.15Å; E1939-R1942 IonicContact OE1-CZ 3.26Å; E1939-R1942 VanDerWaalsContact OE1-CZ 3.26Å; E1939-R1942 IonicContact OE1-NE 2.96Å; E1939-R1942 PolarHBondContact OE1-NE 2.65Å; E1939-R1942 IonicContact OE1-NH2 2.74Å; E1939-R1942 PolarHBondContact OE1-NH2 3.07Å; E1939-R1942 IonicContact OE2-CZ 3.06Å; E1939-R1942 IonicContact OE2-NE 2.91Å; E1939-R1942 PolarHBondContact OE2-NE 3.05Å; E1939-R1942 IonicContact OE2-NH2 2.92Å; E1939-R1942 PolarHBondContact OE2-NH2 2.96Å; R1942-S1945 PolarHBondContact O-N 2.79Å; R1942-L1946 HydrophobicContact CG-CD1 4.33Å; R1942-L1946 VanDerWaalsContact O-CB 3.26Å; R1942-L1946 WeakPolarHBondContact O-CB 3.43Å; R1942-L1946 VanDerWaalsContact O-CG 3.24Å; R1942-L1946 WeakPolarHBondContact O-CG 3.32Å; R1942-L1946 PolarHBondContact O-N 2.96Å
1943A81.1Confident82.5Confident51 Ų5198 Ų9842%0.42150%0.496SS..Hα-helixtrans-72.3-27.6174.500000112.8E1939 K1940 K1947E1939-A1943 WeakPolarHBondContact O-CB 3.33Å; E1939-A1943 PolarHBondContact O-N 2.91Å; K1940-A1943 CarbonylContact O-C 3.58Å; K1940-A1943 PolarHBondContact O-N 2.87Å; A1943-K1947 WeakPolarHBondContact O-CA 3.4Å; A1943-K1947 WeakPolarHBondContact O-CB 3.17Å; A1943-K1947 PolarHBondContact O-N 3.01Å
1944Q80.6Confident81.7Confident105 Ų10599 Ų9949%0.49150%0.497SS..Hα-helixtrans-74.7-38.8168.9-82.5-174.7-35.500111.4K1940 N1941 K1947 I1948K1940-Q1944 VanDerWaalsContact O-CB 3.31Å; K1940-Q1944 WeakPolarHBondContact O-CB 3.41Å; K1940-Q1944 WeakPolarHBondContact O-CG 3.15Å; K1940-Q1944 PolarHBondContact O-N 3.32Å; N1941-Q1944 PolarHBondContact O-N 2.76Å; Q1944-K1947 CarbonylContact O-C 3.47Å; Q1944-K1947 PolarHBondContact O-N 3.34Å; Q1944-I1948 WeakPolarHBondContact O-CB 3.48Å; Q1944-I1948 VanDerWaalsContact O-CG1 3.25Å; Q1944-I1948 WeakPolarHBondContact O-CG1 2.87Å; Q1944-I1948 PolarHBondContact O-N 3Å
1945S81.1Confident81.1Confident68 Ų6897.2 Ų97.248%0.47649%0.489SS..Hα-helixtrans-63.4-47.9171.2-167.60000110.7N1941 R1942 K1947 I1948 E1949N1941-S1945 WeakPolarHBondContact O-CB 3.13Å; N1941-S1945 PolarHBondContact O-N 2.77Å; R1942-S1945 PolarHBondContact O-N 2.79Å; S1945-K1947 VanDerWaalsContact C-N 3.28Å; S1945-K1947 PolarHBondContact O-N 3.38Å; S1945-I1948 CarbonylContact O-C 3.55Å; S1945-I1948 PolarHBondContact O-N 2.7Å; S1945-I1948 VanDerWaalsContact O-N 3.14Å; S1945-E1949 PolarHBondContact O-N 2.67Å
1946L83.9Confident80.6Confident90 Ų9099.6 Ų99.647%0.47149%0.493SS..Hα-helixtrans-63.8-30.7172.8-74.7167.5000112R1942 L1950R1942-L1946 HydrophobicContact CG-CD1 4.33Å; R1942-L1946 VanDerWaalsContact O-CB 3.26Å; R1942-L1946 WeakPolarHBondContact O-CB 3.43Å; R1942-L1946 VanDerWaalsContact O-CG 3.24Å; R1942-L1946 WeakPolarHBondContact O-CG 3.32Å; R1942-L1946 PolarHBondContact O-N 2.96Å; L1946-L1950 WeakPolarHBondContact O-CA 3.5Å; L1946-L1950 WeakPolarHBondContact O-CB 3.21Å; L1946-L1950 PolarHBondContact O-N 2.83Å
1947K85Confident79.7Confident122 Ų12298 Ų9853%0.5348%0.484SS..Hα-helixtrans-72.8-38.1171.4178.8175.2173.7-177.50111.3A1943 Q1944 S1945 E1949 L1950 D1951A1943-K1947 WeakPolarHBondContact O-CA 3.4Å; A1943-K1947 WeakPolarHBondContact O-CB 3.17Å; A1943-K1947 PolarHBondContact O-N 3.01Å; Q1944-K1947 CarbonylContact O-C 3.47Å; Q1944-K1947 PolarHBondContact O-N 3.34Å; S1945-K1947 VanDerWaalsContact C-N 3.28Å; S1945-K1947 PolarHBondContact O-N 3.38Å; K1947-E1949 VanDerWaalsContact C-N 3.32Å; K1947-L1950 CarbonylContact O-C 3.1Å; K1947-L1950 PolarHBondContact O-N 2.94Å; K1947-D1951 WeakPolarHBondContact CE-OD2 3.01Å; K1947-D1951 WeakPolarHBondContact CG-OD2 3.31Å; K1947-D1951 VanDerWaalsContact O-CB 3.26Å; K1947-D1951 WeakPolarHBondContact O-CB 3.36Å; K1947-D1951 VanDerWaalsContact O-CG 3.29Å; K1947-D1951 PolarHBondContact O-N 3.27Å
1948I83.1Confident79.1Confident100 Ų100103.1 Ų103.151%0.51350%0.496SS..Hα-helixtrans-65.1-39.8173.7-72.3162.7000109.7Q1944 S1945 Q1952Q1944-I1948 WeakPolarHBondContact O-CB 3.48Å; Q1944-I1948 VanDerWaalsContact O-CG1 3.25Å; Q1944-I1948 WeakPolarHBondContact O-CG1 2.87Å; Q1944-I1948 PolarHBondContact O-N 3Å; S1945-I1948 CarbonylContact O-C 3.55Å; S1945-I1948 PolarHBondContact O-N 2.7Å; S1945-I1948 VanDerWaalsContact O-N 3.14Å; I1948-Q1952 VanDerWaalsContact CG2-NE2 3.32Å; I1948-Q1952 VanDerWaalsContact O-CB 3.24Å; I1948-Q1952 WeakPolarHBondContact O-CB 3.35Å; I1948-Q1952 WeakPolarHBondContact O-CG 3.46Å; I1948-Q1952 PolarHBondContact O-N 2.66Å
1949E81.3Confident78.1Confident105 Ų105105.2 Ų105.249%0.49150%0.501SS..Hα-helixtrans-66.2-38.4168.9-72.6-173134.100112.4S1945 K1947 L1953S1945-E1949 PolarHBondContact O-N 2.67Å; K1947-E1949 VanDerWaalsContact C-N 3.32Å; E1949-L1953 WeakPolarHBondContact O-CB 3.45Å; E1949-L1953 WeakPolarHBondContact O-CG 3.32Å; E1949-L1953 PolarHBondContact O-N 2.76Å
1950L79.8Confident76.7Confident101 Ų101106.4 Ų106.453%0.52951%0.51SS..Hα-helixtrans-69.9-37.6178.1-165.389.2000111.5L1946 K1947 L1953 Y1954L1946-L1950 WeakPolarHBondContact O-CA 3.5Å; L1946-L1950 WeakPolarHBondContact O-CB 3.21Å; L1946-L1950 PolarHBondContact O-N 2.83Å; K1947-L1950 CarbonylContact O-C 3.1Å; K1947-L1950 PolarHBondContact O-N 2.94Å; L1950-L1953 CarbonylContact O-C 3.42Å; L1950-L1953 PolarHBondContact O-N 2.85Å; L1950-Y1954 WeakPolarHBondContact O-CA 3.42Å; L1950-Y1954 VanDerWaalsContact O-CB 3.29Å; L1950-Y1954 WeakPolarHBondContact O-CB 3.41Å; L1950-Y1954 PolarHBondContact O-N 3.06Å
1951D79.8Confident74.8Confident80 Ų80104.8 Ų104.843%0.42851%0.511SS..Hα-helixtrans-74.8-38.4176.8-73.5-24000109.7K1947 Y1954 D1955K1947-D1951 WeakPolarHBondContact CE-OD2 3.01Å; K1947-D1951 WeakPolarHBondContact CG-OD2 3.31Å; K1947-D1951 VanDerWaalsContact O-CB 3.26Å; K1947-D1951 WeakPolarHBondContact O-CB 3.36Å; K1947-D1951 VanDerWaalsContact O-CG 3.29Å; K1947-D1951 PolarHBondContact O-N 3.27Å; D1951-Y1954 PolarHBondContact O-N 3.43Å; D1951-D1955 VanDerWaalsContact O-CB 3.32Å; D1951-D1955 WeakPolarHBondContact O-CB 3.39Å; D1951-D1955 PolarHBondContact O-N 2.81Å
1952Q78.7Confident72.6Confident125 Ų125110.9 Ų110.958%0.58453%0.529SS*.Hα-helixtrans-61.2-44.3167.3-77.4176.943.500111.4I1948 Y1954 D1955 Q1956I1948-Q1952 VanDerWaalsContact CG2-NE2 3.32Å; I1948-Q1952 VanDerWaalsContact O-CB 3.24Å; I1948-Q1952 WeakPolarHBondContact O-CB 3.35Å; I1948-Q1952 WeakPolarHBondContact O-CG 3.46Å; I1948-Q1952 PolarHBondContact O-N 2.66Å; Q1952-Y1954 VanDerWaalsContact C-N 3.34Å; Q1952-D1955 PolarHBondContact O-N 2.84Å; Q1952-Q1956 WeakPolarHBondContact O-CB 3.29Å; Q1952-Q1956 PolarHBondContact O-N 3.48Å
1953L75.1Confident70.2Confident88 Ų88111.8 Ų111.846%0.46154%0.54SS..Hα-helixtrans-64.9-35.9172.2-88.1163.2000111.3E1949 L1950 D1955 Q1956 I1957E1949-L1953 WeakPolarHBondContact O-CB 3.45Å; E1949-L1953 WeakPolarHBondContact O-CG 3.32Å; E1949-L1953 PolarHBondContact O-N 2.76Å; L1950-L1953 CarbonylContact O-C 3.42Å; L1950-L1953 PolarHBondContact O-N 2.85Å; L1953-D1955 VanDerWaalsContact C-N 3.34Å; L1953-Q1956 PolarHBondContact O-N 3.39Å; L1953-I1957 WeakPolarHBondContact O-CA 3.15Å; L1953-I1957 WeakPolarHBondContact O-CB 3.17Å; L1953-I1957 WeakPolarHBondContact O-CD1 3.38Å; L1953-I1957 WeakPolarHBondContact O-CG1 3.13Å; L1953-I1957 PolarHBondContact O-N 3.19Å
1954Y69.8Low67.8Low161 Ų161114.7 Ų114.763%0.63155%0.552SS**Hα-helixtrans-69.7-38.1178.1-134.6-83000110L1950 D1951 Q1952 R1958L1950-Y1954 WeakPolarHBondContact O-CA 3.42Å; L1950-Y1954 VanDerWaalsContact O-CB 3.29Å; L1950-Y1954 WeakPolarHBondContact O-CB 3.41Å; L1950-Y1954 PolarHBondContact O-N 3.06Å; D1951-Y1954 PolarHBondContact O-N 3.43Å; Q1952-Y1954 VanDerWaalsContact C-N 3.34Å; Y1954-R1958 WeakPolarHBondContact O-CB 3.22Å; Y1954-R1958 PolarHBondContact O-N 2.9Å
1955D73.7Confident65.4Low65 Ų65116 Ų11635%0.34857%0.568SS.*Hα-helixtrans-75-31.2176.6-141.942.5000111.6D1951 Q1952 L1953 R1958 K1959D1951-D1955 VanDerWaalsContact O-CB 3.32Å; D1951-D1955 WeakPolarHBondContact O-CB 3.39Å; D1951-D1955 PolarHBondContact O-N 2.81Å; Q1952-D1955 PolarHBondContact O-N 2.84Å; L1953-D1955 VanDerWaalsContact C-N 3.34Å; D1955-R1958 PolarHBondContact O-N 3.22Å; D1955-K1959 WeakPolarHBondContact O-CB 3.18Å; D1955-K1959 WeakPolarHBondContact O-CD 3.36Å; D1955-K1959 WeakPolarHBondContact O-CG 3.36Å; D1955-K1959 PolarHBondContact O-N 3.48Å; D1955-K1959 WeakPolarHBondContact OD2-CE 3.15Å; D1955-K1959 IonicContact OD2-NZ 2.69Å; D1955-K1959 PolarHBondContact OD2-NZ 3.39Å
1956Q70.8Confident63.2Low110 Ų110117.6 Ų117.651%0.51458%0.577SS.*Hα-helixtrans-75.4-39.4172.7-164.9164.630.700111.7Q1952 L1953 R1958 K1959 N1960Q1952-Q1956 WeakPolarHBondContact O-CB 3.29Å; Q1952-Q1956 PolarHBondContact O-N 3.48Å; L1953-Q1956 PolarHBondContact O-N 3.39Å; Q1956-R1958 VanDerWaalsContact C-N 3.34Å; Q1956-K1959 PolarHBondContact O-N 2.77Å; Q1956-N1960 VanDerWaalsContact O-CB 3.26Å; Q1956-N1960 WeakPolarHBondContact O-CB 3.25Å; Q1956-N1960 PolarHBondContact O-N 3.4Å; Q1956-N1960 PolarHBondContact O-ND2 3.16Å; Q1956-N1960 PolarHBondContact O-OD1 3.39Å
1957I66.8Low60.6Low85 Ų85119.6 Ų119.644%0.43659%0.593SS.*Hα-helixtrans-62.8-40.5167.2-72.9165.5000109.2L1953 K1959 N1960 T1961L1953-I1957 WeakPolarHBondContact O-CA 3.15Å; L1953-I1957 WeakPolarHBondContact O-CB 3.17Å; L1953-I1957 WeakPolarHBondContact O-CD1 3.38Å; L1953-I1957 WeakPolarHBondContact O-CG1 3.13Å; L1953-I1957 PolarHBondContact O-N 3.19Å; I1957-K1959 VanDerWaalsContact C-N 3.34Å; I1957-K1959 PolarHBondContact O-N 2.79Å; I1957-N1960 CarbonylContact O-C 3.49Å; I1957-N1960 PolarHBondContact O-N 2.87Å; I1957-N1960 VanDerWaalsContact O-N 3.16Å; I1957-T1961 VanDerWaalsContact CG2-OG1 3.25Å; I1957-T1961 WeakPolarHBondContact CG2-OG1 3.4Å; I1957-T1961 WeakPolarHBondContact O-CA 3.23Å; I1957-T1961 WeakPolarHBondContact O-CB 3.42Å; I1957-T1961 PolarHBondContact O-N 2.81Å; I1957-T1961 PolarHBondContact O-OG1 2.81Å
1958R69.3Low58.4Low173 Ų173119.3 Ų119.365%0.65360%0.604SS**Hα-helixtrans-66.6-34.5176.2-167.5-178.6-154.8-175.67112.4Y1954 D1955 Q1956 Y1962Y1954-R1958 WeakPolarHBondContact O-CB 3.22Å; Y1954-R1958 PolarHBondContact O-N 2.9Å; D1955-R1958 PolarHBondContact O-N 3.22Å; Q1956-R1958 VanDerWaalsContact C-N 3.34Å; R1958-Y1962 WeakPolarHBondContact O-CD2 3.49Å
1959K63.8Low55.9Low141 Ų141121.3 Ų121.361%0.61362%0.615SS**Hα-helixtrans-69.6-35.5170.4-71.8155.6-164.5152.50112.1D1955 Q1956 I1957D1955-K1959 WeakPolarHBondContact O-CB 3.18Å; D1955-K1959 WeakPolarHBondContact O-CD 3.36Å; D1955-K1959 WeakPolarHBondContact O-CG 3.36Å; D1955-K1959 PolarHBondContact O-N 3.48Å; D1955-K1959 WeakPolarHBondContact OD2-CE 3.15Å; D1955-K1959 IonicContact OD2-NZ 2.69Å; D1955-K1959 PolarHBondContact OD2-NZ 3.39Å; Q1956-K1959 PolarHBondContact O-N 2.77Å; I1957-K1959 VanDerWaalsContact C-N 3.34Å; I1957-K1959 PolarHBondContact O-N 2.79Å
1960N53.1Low53.6Low104 Ų104122.4 Ų122.456%0.55662%0.624SS**Hα-helixtrans-91.9-24.6-175.7-64.1-8.1000114.6Q1956 I1957 Y1962 Q1963Q1956-N1960 VanDerWaalsContact O-CB 3.26Å; Q1956-N1960 WeakPolarHBondContact O-CB 3.25Å; Q1956-N1960 PolarHBondContact O-N 3.4Å; Q1956-N1960 PolarHBondContact O-ND2 3.16Å; Q1956-N1960 PolarHBondContact O-OD1 3.39Å; I1957-N1960 CarbonylContact O-C 3.49Å; I1957-N1960 PolarHBondContact O-N 2.87Å; I1957-N1960 VanDerWaalsContact O-N 3.16Å; N1960-Y1962 VanDerWaalsContact C-N 3.26Å; N1960-Y1962 PolarHBondContact O-N 3.35Å; N1960-Q1963 PolarHBondContact O-N 2.8Å
1961T45.4Very low51.4Low95 Ų95123.3 Ų123.358%0.58363%0.63SS**G310 helixtrans-78-9.9-172.4-62.30000112.9I1957 Q1963I1957-T1961 VanDerWaalsContact CG2-OG1 3.25Å; I1957-T1961 WeakPolarHBondContact CG2-OG1 3.4Å; I1957-T1961 WeakPolarHBondContact O-CA 3.23Å; I1957-T1961 WeakPolarHBondContact O-CB 3.42Å; I1957-T1961 PolarHBondContact O-N 2.81Å; I1957-T1961 PolarHBondContact O-OG1 2.81Å; T1961-Q1963 PolarHBondContact O-N 3.45Å
1962Y38.6Very low49.2Very low209 Ų209125 Ų12582%0.8264%0.639SS**G310 helixtrans-70.12.1161.6-75.2-72.5000113.4R1958 N1960R1958-Y1962 WeakPolarHBondContact O-CD2 3.49Å; N1960-Y1962 VanDerWaalsContact C-N 3.26Å; N1960-Y1962 PolarHBondContact O-N 3.35Å
1963Q33.1Very low47Very low170 Ų170126 Ų12679%0.79465%0.648SS**G310 helixtrans-136.768169.6-90.9167.41100113.6N1960 T1961N1960-Q1963 PolarHBondContact O-N 2.8Å; T1961-Q1963 PolarHBondContact O-N 3.45Å
1964T30.5Very low44.9Very low111 Ų111125.9 Ų125.968%0.68166%0.66SS**  trans21.1108.6143.1560000120.3
1965T30.4Very low43Very low132 Ų132126.6 Ų126.681%0.8167%0.673SS**  trans55155.3132.152.10000122.6
1966P34.5Very low40.9Very low102 Ų102126.8 Ų126.866%0.66269%0.69SS**  cis-142-172.6-19.637-15.9000115.9
1967T30.3Very low39.2Very low133 Ų133124.9 Ų124.982%0.81670%0.7SS**  trans76.715315241.30000121.4
1968P38.9Very low37.8Very low116 Ų116127.6 Ų127.675%0.75372%0.715SS**  trans-129173.4-15543.7-28.9000116.6
1969N30Very low36Very low141 Ų141126.6 Ų126.675%0.75472%0.72SS**  trans-167.8141.4143.7-124.6-25.2000114.5
1970N32.3Very low34.6Very low128 Ų128125.6 Ų125.668%0.68473%0.725SS**  trans24.9144.1130.5-73.4-1.9000120.6
1971N33.6Very low33.8Very low120 Ų120126 Ų12664%0.64273%0.732SS**  cis-174.2162.136.9-125.20000115
1972N34.7Very low33.4Very low116 Ų116127 Ų12762%0.6274%0.738SS**  trans72.3118.7142.4-64.3-8.1000125.1
1973N32.8Very low33.3Very low146 Ų146123 Ų12378%0.78173%0.731SS**  65.5124.2125.4-53.3-9.3000123
1974A30.4Very low33.3Very low85 Ų85122 Ų12270%0.70273%0.726SS**  174126.1110.500000114.9
1975I29.8Very low33.6Very low177 Ų177122.2 Ų122.291%0.90872%0.723SS**  42134.3119.2-54160.1000119.2
1976G30.9Very low33.9Very low69 Ų69125.5 Ų125.571%0.71173%0.726SS**  cis154.5166-5.600000115
1977G34.1Very low34Very low69 Ų69125.2 Ų125.271%0.71173%0.732SS**  trans83.5148.7175.800000114.6
1978N36.8Very low34.6Very low143 Ų143124 Ų12477%0.76573%0.727SS**  cis-163.1173.23.3-91.1-10.7000106.2
1979M32.3Very low34.2Very low152 Ų152125 Ų12575%0.74973%0.726SS**  cis-175.4164-12.3-95.8171.6171.200104.2
1980T35.3Very low34.5Very low119 Ų119124.6 Ų124.673%0.7372%0.724SS**  cis-165.3176-0.317.30000105.6
1981T34.2Very low34.2Very low112 Ų112123.6 Ų123.669%0.68773%0.725SS**  cis-159.4174.311.8-8.60000109.6
1982T37Very low34Very low117 Ų117123.1 Ų123.172%0.71873%0.731SS**  trans45.1130151.752.80000122.2
1983N36.9Very low33.8Very low126 Ų126122.2 Ų122.267%0.67474%0.735SS**  cis-164.8154.6-15.5-134.631.1000112.2
1984E34Very low33.8Very low148 Ų148122.7 Ų122.769%0.69274%0.737SS**  trans67.2145.5155.3-69.9174.5-10700119.6
1985N37.4Very low34.1Very low116 Ų116126.8 Ų126.862%0.6275%0.746SS**  cis-155.8141.1-1.8-124-34000114.9
1986K35.6Very low34.7Very low201 Ų201122.5 Ų122.587%0.87473%0.725SS**  trans69.7151.9159-72.4172179.8166.30121.9
1987A37Very low35.7Very low95 Ų95123.7 Ų123.779%0.78572%0.72SS**  trans-135.1-163.2-171.500000109.7
1988P41.8Very low36.8Very low109 Ų109129 Ų12971%0.70872%0.719SS**  cis-148.3170.634.645.5-24.9000119.7
1989N32.1Very low38.2Very low136 Ų136126.8 Ų126.873%0.72771%0.71SS**  trans63.8151.5139-84.238.1000125.7
1990D34.6Very low40Very low132 Ų132128 Ų12871%0.70671%0.708SS**  trans62.6130.3155.2-57.2-35.4000119.5
1991C27.2Very low41.7Very low107 Ų107128 Ų12872%0.72370%0.7SS**  cis122116.412.8-85.80000110.4
1992S28.6Very low43.5Very low110 Ų110125.3 Ų125.377%0.76969%0.689SS**  trans69.8138.6157.470.70000121.2
1993S31.1Very low45.3Very low98 Ų98124.2 Ų124.269%0.68568%0.678SS**  trans42.799151.157.10000119.8
1994N33.4Very low47.1Very low155 Ų155122.6 Ų122.683%0.82967%0.669SS**  -168.3160.4115.6-99.2-51.8000110.5N1996N1994-N1996 PolarHBondContact O-N 3.35Å
1995L36.7Very low49.3Very low171 Ų171120.3 Ų120.390%0.89566%0.661SS**  trans-64.6104.3172-83.374.4000108.2P1997L1995-P1997 WeakPolarHBondContact O-CD 3.4Å
1996N40.9Very low51Low87 Ų87117.6 Ų117.647%0.46566%0.655SS.*  trans-74.8125.9-168.8-166.1-35.4000110.6N1994 R1998 V1999N1994-N1996 PolarHBondContact O-N 3.35Å; N1996-R1998 PolarHBondContact O-N 2.9Å; N1996-R1998 VanDerWaalsContact OD1-CB 3.3Å; N1996-R1998 WeakPolarHBondContact OD1-CB 3.41Å; N1996-R1998 WeakPolarHBondContact OD1-CG 3.42Å; N1996-R1998 PolarHBondContact OD1-N 3.24Å; N1996-V1999 PolarHBondContact O-N 2.78Å; N1996-V1999 VanDerWaalsContact O-N 3.11Å
1997P52.8Low53.2Low94 Ų94111.9 Ų111.961%0.6164%0.637SS**Hα-helixtrans-47.3-31.3172.1-3136.9000113.4L1995 V1999 Y2000 E2001L1995-P1997 WeakPolarHBondContact O-CD 3.4Å; P1997-V1999 PolarHBondContact O-N 3.29Å; P1997-Y2000 CarbonylContact O-C 3.59Å; P1997-Y2000 WeakPolarHBondContact O-CA 3.26Å; P1997-Y2000 PolarHBondContact O-N 2.99Å; P1997-E2001 VanDerWaalsContact O-CB 3.28Å; P1997-E2001 WeakPolarHBondContact O-CB 2.99Å; P1997-E2001 PolarHBondContact O-N 2.8Å
1998R57Low55.3Low180 Ų180111.7 Ų111.768%0.67963%0.626SS**Hα-helixtrans-48-27.9175.7-77-176.8174.3-179.1-1.9115.7N1996 A2002N1996-R1998 PolarHBondContact O-N 2.9Å; N1996-R1998 VanDerWaalsContact OD1-CB 3.3Å; N1996-R1998 WeakPolarHBondContact OD1-CB 3.41Å; N1996-R1998 WeakPolarHBondContact OD1-CG 3.42Å; N1996-R1998 PolarHBondContact OD1-N 3.24Å; R1998-A2002 WeakPolarHBondContact O-CB 3.44Å; R1998-A2002 PolarHBondContact O-N 3.41Å
1999V66.3Low57.2Low98 Ų98110.5 Ų110.559%0.59461%0.611SS**Hα-helixtrans-76.7-44.8175.6-177.90000111N1996 P1997 E2001 A2002 I2003N1996-V1999 PolarHBondContact O-N 2.78Å; N1996-V1999 VanDerWaalsContact O-N 3.11Å; P1997-V1999 PolarHBondContact O-N 3.29Å; V1999-E2001 VanDerWaalsContact C-N 3.32Å; V1999-A2002 PolarHBondContact O-N 3.3Å; V1999-I2003 HydrophobicContact CG1-CD1 4.14Å; V1999-I2003 WeakPolarHBondContact O-CB 3.17Å; V1999-I2003 VanDerWaalsContact O-CG1 3.26Å; V1999-I2003 WeakPolarHBondContact O-CG1 3.12Å; V1999-I2003 PolarHBondContact O-N 3.24Å
2000Y69.4Low59.5Low176 Ų176109.3 Ų109.369%0.6960%0.604SS**Hα-helixtrans-67.6-34.7173.3-109.6-81.7000112.2P1997 I2003 N2004P1997-Y2000 CarbonylContact O-C 3.59Å; P1997-Y2000 WeakPolarHBondContact O-CA 3.26Å; P1997-Y2000 PolarHBondContact O-N 2.99Å; Y2000-I2003 PolarHBondContact O-N 3.46Å; Y2000-N2004 WeakPolarHBondContact O-CB 3.3Å; Y2000-N2004 PolarHBondContact O-N 3.11Å; Y2000-N2004 PolarHBondContact O-ND2 3.47Å
2001E72.2Confident61.6Low120 Ų120104.9 Ų104.956%0.56159%0.585SS**Hα-helixtrans-71.3-38.8175.9-170.5172.9-130.600111P1997 V1999 N2004 L2005P1997-E2001 VanDerWaalsContact O-CB 3.28Å; P1997-E2001 WeakPolarHBondContact O-CB 2.99Å; P1997-E2001 PolarHBondContact O-N 2.8Å; V1999-E2001 VanDerWaalsContact C-N 3.32Å; E2001-N2004 PolarHBondContact O-N 2.78Å; E2001-L2005 WeakPolarHBondContact O-CA 3.35Å; E2001-L2005 WeakPolarHBondContact O-CB 3.44Å; E2001-L2005 PolarHBondContact O-N 3.31Å
2002A72Confident64.2Low56 Ų56102 Ų10246%0.46357%0.566SS.*Hα-helixtrans-66.9-39.9170.400000112.2R1998 V1999 L2005 A2006R1998-A2002 WeakPolarHBondContact O-CB 3.44Å; R1998-A2002 PolarHBondContact O-N 3.41Å; V1999-A2002 PolarHBondContact O-N 3.3Å; A2002-L2005 PolarHBondContact O-N 2.72Å; A2002-A2006 WeakPolarHBondContact O-CB 3.4Å; A2002-A2006 PolarHBondContact O-N 2.72Å
2003I73.8Confident66.5Low94 Ų94100 Ų10048%0.48255%0.55SS..Hα-helixtrans-65.8-43.7174.1-69.9166000110.6V1999 Y2000 T2007V1999-I2003 HydrophobicContact CG1-CD1 4.14Å; V1999-I2003 WeakPolarHBondContact O-CB 3.17Å; V1999-I2003 VanDerWaalsContact O-CG1 3.26Å; V1999-I2003 WeakPolarHBondContact O-CG1 3.12Å; V1999-I2003 PolarHBondContact O-N 3.24Å; Y2000-I2003 PolarHBondContact O-N 3.46Å; I2003-T2007 VanDerWaalsContact O-CB 3.24Å; I2003-T2007 WeakPolarHBondContact O-CB 3.26Å; I2003-T2007 PolarHBondContact O-N 3.25Å; I2003-T2007 PolarHBondContact O-OG1 3.44Å
2004N75.6Confident68.9Low92 Ų92103.7 Ų103.749%0.49255%0.549SS..Hα-helixtrans-68.4-37.1176.7-77.2-18.1000111.9Y2000 E2001 T2007 T2008Y2000-N2004 WeakPolarHBondContact O-CB 3.3Å; Y2000-N2004 PolarHBondContact O-N 3.11Å; Y2000-N2004 PolarHBondContact O-ND2 3.47Å; E2001-N2004 PolarHBondContact O-N 2.78Å; N2004-T2007 PolarHBondContact O-N 2.65Å; N2004-T2008 WeakPolarHBondContact O-CB 3.31Å; N2004-T2008 PolarHBondContact O-N 3.47Å; N2004-T2008 PolarHBondContact O-OG1 2.75Å
2005L79Confident71.2Confident99 Ų99103.8 Ų103.852%0.51854%0.538SS..Hα-helixtrans-68.1-45.3175.6-177.565.5000110.7E2001 A2002 T2007 T2008 Q2009E2001-L2005 WeakPolarHBondContact O-CA 3.35Å; E2001-L2005 WeakPolarHBondContact O-CB 3.44Å; E2001-L2005 PolarHBondContact O-N 3.31Å; A2002-L2005 PolarHBondContact O-N 2.72Å; L2005-T2007 VanDerWaalsContact C-N 3.35Å; L2005-T2008 PolarHBondContact O-N 2.81Å; L2005-Q2009 HydrophobicContact CD1-CG 4.43Å; L2005-Q2009 WeakPolarHBondContact O-CB 3.17Å; L2005-Q2009 VanDerWaalsContact O-CG 3.3Å; L2005-Q2009 WeakPolarHBondContact O-CG 3.41Å; L2005-Q2009 PolarHBondContact O-N 2.74Å
2006A74.7Confident73.3Confident60 Ų6099.5 Ų99.550%0.49652%0.516SS..Hα-helixtrans-61-43.4173.100000111.3A2002 Q2009 L2010A2002-A2006 WeakPolarHBondContact O-CB 3.4Å; A2002-A2006 PolarHBondContact O-N 2.72Å; A2006-Q2009 PolarHBondContact O-N 3.48Å; A2006-L2010 WeakPolarHBondContact O-CB 3.28Å; A2006-L2010 PolarHBondContact O-N 2.95Å
2007T80.2Confident75.1Confident80 Ų8098.9 Ų98.949%0.49152%0.515SS..Hα-helixtrans-65.4-39.8176.4-55.80000111.9I2003 N2004 L2005 A2011I2003-T2007 VanDerWaalsContact O-CB 3.24Å; I2003-T2007 WeakPolarHBondContact O-CB 3.26Å; I2003-T2007 PolarHBondContact O-N 3.25Å; I2003-T2007 PolarHBondContact O-OG1 3.44Å; N2004-T2007 PolarHBondContact O-N 2.65Å; L2005-T2007 VanDerWaalsContact C-N 3.35Å; T2007-A2011 VanDerWaalsContact O-CB 3.23Å; T2007-A2011 WeakPolarHBondContact O-CB 3.32Å; T2007-A2011 PolarHBondContact O-N 2.74Å
2008T81Confident76.5Confident91 Ų9199 Ų9956%0.55851%0.509SS*.Hα-helixtrans-73-36.9178.7-56.90000111.3N2004 L2005 A2011 S2012N2004-T2008 WeakPolarHBondContact O-CB 3.31Å; N2004-T2008 PolarHBondContact O-N 3.47Å; N2004-T2008 PolarHBondContact O-OG1 2.75Å; L2005-T2008 PolarHBondContact O-N 2.81Å; T2008-A2011 PolarHBondContact O-N 3.42Å; T2008-S2012 PolarHBondContact O-N 2.97Å
2009Q82.1Confident77.8Confident85 Ų8596.7 Ų96.740%0.39750%0.504SS..Hα-helixtrans-66.4-47.3171.2-74.3-16940.800110.8K1129 L2005 A2006 A2011 S2012 T2013K1129-Q2009 VanDerWaalsContact NZ-OE1 3.16Å; L2005-Q2009 HydrophobicContact CD1-CG 4.43Å; L2005-Q2009 WeakPolarHBondContact O-CB 3.17Å; L2005-Q2009 VanDerWaalsContact O-CG 3.3Å; L2005-Q2009 WeakPolarHBondContact O-CG 3.41Å; L2005-Q2009 PolarHBondContact O-N 2.74Å; A2006-Q2009 PolarHBondContact O-N 3.48Å; Q2009-A2011 VanDerWaalsContact C-N 3.26Å; Q2009-A2011 PolarHBondContact O-N 3.49Å; Q2009-S2012 CarbonylContact O-C 3.58Å; Q2009-S2012 WeakPolarHBondContact O-CA 3.26Å; Q2009-S2012 WeakPolarHBondContact O-CB 3.18Å; Q2009-S2012 PolarHBondContact O-N 3.22Å; Q2009-T2013 PolarHBondContact O-N 3.06Å; Q2009-T2013 PolarHBondContact O-OG1 3.31Å; Q2009-T2013 VanDerWaalsContact O-OG1 3.11Å
2010L80Confident78.6Confident111 Ų11196.2 Ų96.258%0.58150%0.498SS*.Hα-helixtrans-59.3-37.1175.3-17268.8000112A2006 R2014A2006-L2010 WeakPolarHBondContact O-CB 3.28Å; A2006-L2010 PolarHBondContact O-N 2.95Å; L2010-R2014 VanDerWaalsContact O-CB 3.31Å; L2010-R2014 WeakPolarHBondContact O-CB 3.3Å; L2010-R2014 PolarHBondContact O-N 2.87Å
2011A80.5Confident79.1Confident38 Ų3893.3 Ų93.331%0.31449%0.491SS..Hα-helixtrans-75.2-24173.300000113.8T2007 T2008 Q2009 R2015T2007-A2011 VanDerWaalsContact O-CB 3.23Å; T2007-A2011 WeakPolarHBondContact O-CB 3.32Å; T2007-A2011 PolarHBondContact O-N 2.74Å; T2008-A2011 PolarHBondContact O-N 3.42Å; Q2009-A2011 VanDerWaalsContact C-N 3.26Å; Q2009-A2011 PolarHBondContact O-N 3.49Å; A2011-R2015 WeakPolarHBondContact O-CG 3.31Å; A2011-R2015 PolarHBondContact O-N 2.88Å; A2011-R2015 PolarHBondContact O-NH1 3.44Å
2012S80.2Confident79.5Confident46 Ų4692 Ų9232%0.32249%0.487SS..Hα-helixtrans-71.4-59.7166.7-158.60000109.2T2008 Q2009 R2014 R2015 D2016T2008-S2012 PolarHBondContact O-N 2.97Å; Q2009-S2012 CarbonylContact O-C 3.58Å; Q2009-S2012 WeakPolarHBondContact O-CA 3.26Å; Q2009-S2012 WeakPolarHBondContact O-CB 3.18Å; Q2009-S2012 PolarHBondContact O-N 3.22Å; S2012-R2014 PolarHBondContact O-N 2.79Å; S2012-R2014 VanDerWaalsContact O-N 3.09Å; S2012-R2015 CarbonylContact O-C 3.54Å; S2012-R2015 WeakPolarHBondContact O-CA 3.43Å; S2012-R2015 WeakPolarHBondContact O-CB 3.34Å; S2012-R2015 PolarHBondContact O-N 2.8Å; S2012-D2016 VanDerWaalsContact O-CG 3.23Å; S2012-D2016 PolarHBondContact O-N 2.66Å; S2012-D2016 PolarHBondContact OG-OD2 2.85Å
2013T77.5Confident80Confident69 Ų6994 Ų9442%0.42349%0.487SS..Hα-helixtrans-51.2-41179.4-500000111.6Q2009 D2016 T2017Q2009-T2013 PolarHBondContact O-N 3.06Å; Q2009-T2013 PolarHBondContact O-OG1 3.31Å; Q2009-T2013 VanDerWaalsContact O-OG1 3.11Å; T2013-D2016 PolarHBondContact O-N 2.99Å; T2013-T2017 HydrophobicContact CG2-CG2 4.32Å; T2013-T2017 WeakPolarHBondContact O-CB 3.28Å; T2013-T2017 WeakPolarHBondContact O-CG2 3.22Å; T2013-T2017 PolarHBondContact O-N 2.93Å; T2013-T2017 PolarHBondContact O-OG1 3.27Å
2014R81.2Confident80.4Confident175 Ų17593.9 Ų93.966%0.6649%0.491SS*.Hα-helixtrans-66.4-34173-86.6-175.1156.4-179.3-6.4115L2010 S2012 T2017 I2018L2010-R2014 VanDerWaalsContact O-CB 3.31Å; L2010-R2014 WeakPolarHBondContact O-CB 3.3Å; L2010-R2014 PolarHBondContact O-N 2.87Å; S2012-R2014 PolarHBondContact O-N 2.79Å; S2012-R2014 VanDerWaalsContact O-N 3.09Å; R2014-T2017 PolarHBondContact O-OG1 2.86Å; R2014-I2018 VanDerWaalsContact O-CB 3.29Å; R2014-I2018 WeakPolarHBondContact O-CB 3.24Å; R2014-I2018 VanDerWaalsContact O-CD1 3.29Å; R2014-I2018 WeakPolarHBondContact O-CD1 3.15Å; R2014-I2018 WeakPolarHBondContact O-CG1 3.44Å; R2014-I2018 PolarHBondContact O-N 2.81Å; R2014-I2018 VanDerWaalsContact O-N 3.1Å
2015R82.9Confident80.7Confident158 Ų15894.8 Ų94.860%0.59649%0.49SS*.Hα-helixtrans-72.8-38.8171.2-76.7-168.7-130.889.9-0.9111.4A2011 S2012 I2018 K2019A2011-R2015 WeakPolarHBondContact O-CG 3.31Å; A2011-R2015 PolarHBondContact O-N 2.88Å; A2011-R2015 PolarHBondContact O-NH1 3.44Å; S2012-R2015 CarbonylContact O-C 3.54Å; S2012-R2015 WeakPolarHBondContact O-CA 3.43Å; S2012-R2015 WeakPolarHBondContact O-CB 3.34Å; S2012-R2015 PolarHBondContact O-N 2.8Å; R2015-I2018 PolarHBondContact O-N 3.4Å; R2015-K2019 WeakPolarHBondContact O-CB 3.23Å; R2015-K2019 PolarHBondContact O-N 3.18Å
2016D80.5Confident80.7Confident81 Ų8196.5 Ų96.543%0.43350%0.496SS..Hα-helixtrans-70.3-39.2-177.4-59.8-43.8000110.1S2012 T2013 K2019 L2020S2012-D2016 VanDerWaalsContact O-CG 3.23Å; S2012-D2016 PolarHBondContact O-N 2.66Å; S2012-D2016 PolarHBondContact OG-OD2 2.85Å; T2013-D2016 PolarHBondContact O-N 2.99Å; D2016-K2019 PolarHBondContact O-N 2.95Å; D2016-L2020 WeakPolarHBondContact O-CB 3.24Å; D2016-L2020 WeakPolarHBondContact O-CG 3.24Å; D2016-L2020 PolarHBondContact O-N 3.42Å
2017T78.9Confident81Confident74 Ų7499.8 Ų99.845%0.45450%0.504SS..Hα-helixtrans-72.6-3817158.80000113.2T2013 R2014 K2019 L2020 Q2021T2013-T2017 HydrophobicContact CG2-CG2 4.32Å; T2013-T2017 WeakPolarHBondContact O-CB 3.28Å; T2013-T2017 WeakPolarHBondContact O-CG2 3.22Å; T2013-T2017 PolarHBondContact O-N 2.93Å; T2013-T2017 PolarHBondContact O-OG1 3.27Å; R2014-T2017 PolarHBondContact O-OG1 2.86Å; T2017-K2019 PolarHBondContact O-N 2.82Å; T2017-L2020 PolarHBondContact O-N 3.07Å; T2017-Q2021 WeakPolarHBondContact O-CB 3.11Å; T2017-Q2021 PolarHBondContact O-N 2.83Å
2018I82.2Confident81Confident96 Ų96102.2 Ų102.249%0.49251%0.51SS..Hα-helixtrans-61.6-35.5170-73.9168.1000110.5R2014 R2015 N2022R2014-I2018 VanDerWaalsContact O-CB 3.29Å; R2014-I2018 WeakPolarHBondContact O-CB 3.24Å; R2014-I2018 VanDerWaalsContact O-CD1 3.29Å; R2014-I2018 WeakPolarHBondContact O-CD1 3.15Å; R2014-I2018 WeakPolarHBondContact O-CG1 3.44Å; R2014-I2018 PolarHBondContact O-N 2.81Å; R2014-I2018 VanDerWaalsContact O-N 3.1Å; R2015-I2018 PolarHBondContact O-N 3.4Å; I2018-N2022 WeakPolarHBondContact O-CB 3.33Å; I2018-N2022 VanDerWaalsContact O-CG 3.27Å; I2018-N2022 PolarHBondContact O-N 3Å
2019K84.5Confident80.9Confident131 Ų131100.7 Ų100.757%0.5751%0.507SS*.Hα-helixtrans-72.7-43.8178.3-164.3-178.4-179.1-1670111.7R2015 D2016 T2017 N2022 Q2023R2015-K2019 WeakPolarHBondContact O-CB 3.23Å; R2015-K2019 PolarHBondContact O-N 3.18Å; D2016-K2019 PolarHBondContact O-N 2.95Å; T2017-K2019 PolarHBondContact O-N 2.82Å; K2019-N2022 PolarHBondContact O-N 3.33Å; K2019-Q2023 WeakPolarHBondContact O-CB 3.33Å; K2019-Q2023 WeakPolarHBondContact O-CG 3.37Å; K2019-Q2023 PolarHBondContact O-N 3.15Å
2020L81.3Confident80.8Confident89 Ų89100.1 Ų100.147%0.46651%0.509SS..Hα-helixtrans-60.8-46.7171.2-76167.7000111.1D2016 T2017 N2022 Q2023 V2024D2016-L2020 WeakPolarHBondContact O-CB 3.24Å; D2016-L2020 WeakPolarHBondContact O-CG 3.24Å; D2016-L2020 PolarHBondContact O-N 3.42Å; T2017-L2020 PolarHBondContact O-N 3.07Å; L2020-N2022 VanDerWaalsContact C-N 3.28Å; L2020-N2022 PolarHBondContact O-N 3.21Å; L2020-Q2023 CarbonylContact O-C 3.46Å; L2020-Q2023 PolarHBondContact O-N 2.8Å; L2020-V2024 WeakPolarHBondContact O-CB 3Å; L2020-V2024 WeakPolarHBondContact O-CG2 2.96Å; L2020-V2024 PolarHBondContact O-N 3.36Å
2021Q79.9Confident80.7Confident115 Ų11597.2 Ų97.254%0.53750%0.501SS..Hα-helixtrans-65-30.7178.3-165.5-178.175.500112.6T2017 K2025T2017-Q2021 WeakPolarHBondContact O-CB 3.11Å; T2017-Q2021 PolarHBondContact O-N 2.83Å; Q2021-K2025 WeakPolarHBondContact O-CB 3.49Å; Q2021-K2025 WeakPolarHBondContact O-CD 3.48Å; Q2021-K2025 VanDerWaalsContact O-CG 3.26Å; Q2021-K2025 WeakPolarHBondContact O-CG 3.12Å; Q2021-K2025 PolarHBondContact O-N 2.83Å; Q2021-K2025 VanDerWaalsContact O-N 3.09Å
2022N82.3Confident80.7Confident91 Ų91101.2 Ų101.249%0.48751%0.513SS..Hα-helixtrans-73.1-41.1169-77.6-8000112I2018 K2019 L2020 V2024 K2025 E2026I2018-N2022 WeakPolarHBondContact O-CB 3.33Å; I2018-N2022 VanDerWaalsContact O-CG 3.27Å; I2018-N2022 PolarHBondContact O-N 3Å; K2019-N2022 PolarHBondContact O-N 3.33Å; L2020-N2022 VanDerWaalsContact C-N 3.28Å; L2020-N2022 PolarHBondContact O-N 3.21Å; N2022-V2024 VanDerWaalsContact C-N 3.34Å; N2022-K2025 CarbonylContact O-C 3.56Å; N2022-K2025 PolarHBondContact O-N 3.07Å; N2022-E2026 VanDerWaalsContact O-CB 3.26Å; N2022-E2026 WeakPolarHBondContact O-CB 3.33Å; N2022-E2026 PolarHBondContact O-N 3.03Å
2023Q81.4Confident80.7Confident98 Ų98101.5 Ų101.546%0.45852%0.516SS..Hα-helixtrans-65.4-36175.5-75.7-177.1-108.800111.9K2019 L2020 E2026 L2027K2019-Q2023 WeakPolarHBondContact O-CB 3.33Å; K2019-Q2023 WeakPolarHBondContact O-CG 3.37Å; K2019-Q2023 PolarHBondContact O-N 3.15Å; L2020-Q2023 CarbonylContact O-C 3.46Å; L2020-Q2023 PolarHBondContact O-N 2.8Å; Q2023-E2026 PolarHBondContact O-N 2.93Å; Q2023-L2027 VanDerWaalsContact O-CB 3.25Å; Q2023-L2027 WeakPolarHBondContact O-CB 3.42Å; Q2023-L2027 PolarHBondContact O-N 2.92Å
2024V81.7Confident80.8Confident92 Ų92102.7 Ų102.756%0.55852%0.519SS*.Hα-helixtrans-67-40.8171.9169.80000110.5L2020 N2022 E2026 L2027 Q2028L2020-V2024 WeakPolarHBondContact O-CB 3Å; L2020-V2024 WeakPolarHBondContact O-CG2 2.96Å; L2020-V2024 PolarHBondContact O-N 3.36Å; N2022-V2024 VanDerWaalsContact C-N 3.34Å; V2024-E2026 VanDerWaalsContact C-N 3.34Å; V2024-L2027 PolarHBondContact O-N 3.42Å; V2024-Q2028 WeakPolarHBondContact O-CB 3.31Å; V2024-Q2028 PolarHBondContact O-N 2.79Å
2025K81.7Confident80.5Confident111 Ų111102.6 Ų102.648%0.48352%0.518SS..Hα-helixtrans-67-33.9172.7-75.9168.1-176.9168.60112.9Q2021 N2022 A2029Q2021-K2025 WeakPolarHBondContact O-CB 3.49Å; Q2021-K2025 WeakPolarHBondContact O-CD 3.48Å; Q2021-K2025 VanDerWaalsContact O-CG 3.26Å; Q2021-K2025 WeakPolarHBondContact O-CG 3.12Å; Q2021-K2025 PolarHBondContact O-N 2.83Å; Q2021-K2025 VanDerWaalsContact O-N 3.09Å; N2022-K2025 CarbonylContact O-C 3.56Å; N2022-K2025 PolarHBondContact O-N 3.07Å; K2025-A2029 WeakPolarHBondContact O-CB 3.3Å; K2025-A2029 PolarHBondContact O-N 2.78Å
2026E79.8Confident80.3Confident135 Ų135100 Ų10063%0.63152%0.516SS*.Hα-helixtrans-73.4-39.2176.3-166.7164.8-128.300110.7N2022 Q2023 V2024 T2030N2022-E2026 VanDerWaalsContact O-CB 3.26Å; N2022-E2026 WeakPolarHBondContact O-CB 3.33Å; N2022-E2026 PolarHBondContact O-N 3.03Å; Q2023-E2026 PolarHBondContact O-N 2.93Å; V2024-E2026 VanDerWaalsContact C-N 3.34Å; E2026-T2030 VanDerWaalsContact O-CB 3.29Å; E2026-T2030 WeakPolarHBondContact O-CB 3.36Å; E2026-T2030 PolarHBondContact O-N 3.09Å; E2026-T2030 PolarHBondContact O-OG1 3.44Å
2027L80.6Confident79.9Confident130 Ų130100.1 Ų100.168%0.68152%0.516SS*.Hα-helixtrans-68.4-42172.3-153.885.5000111.2Q2023 V2024 T2030 A2031Q2023-L2027 VanDerWaalsContact O-CB 3.25Å; Q2023-L2027 WeakPolarHBondContact O-CB 3.42Å; Q2023-L2027 PolarHBondContact O-N 2.92Å; V2024-L2027 PolarHBondContact O-N 3.42Å; L2027-T2030 CarbonylContact O-C 3.55Å; L2027-T2030 PolarHBondContact O-N 2.68Å; L2027-A2031 VanDerWaalsContact O-CB 3.27Å; L2027-A2031 WeakPolarHBondContact O-CB 3.2Å; L2027-A2031 PolarHBondContact O-N 3.23Å
2028Q81.3Confident79.7Confident130 Ų130100.9 Ų100.961%0.60752%0.517SS*.Hα-helixtrans-66.2-40.3175.3-171179.325.500110.9V2024 T2030 A2031 H2032V2024-Q2028 WeakPolarHBondContact O-CB 3.31Å; V2024-Q2028 PolarHBondContact O-N 2.79Å; Q2028-T2030 VanDerWaalsContact C-N 3.34Å; Q2028-A2031 PolarHBondContact O-N 3.24Å; Q2028-H2032 WeakPolarHBondContact O-CB 3.23Å; Q2028-H2032 PolarHBondContact O-N 2.73Å
2029A78.7Confident78.9Confident60 Ų6098 Ų9850%0.49651%0.507SS..Hα-helixtrans-66.4-35.5171.500000112K2025 S2033K2025-A2029 WeakPolarHBondContact O-CB 3.3Å; K2025-A2029 PolarHBondContact O-N 2.78Å; A2029-S2033 WeakPolarHBondContact O-CB 3.22Å; A2029-S2033 PolarHBondContact O-N 2.95Å
2030T80.1Confident78.3Confident72 Ų7295.6 Ų95.644%0.44250%0.498SS..Hα-helixtrans-71.3-39.3175.5-560000111.3E2026 L2027 Q2028 S2033 L2034E2026-T2030 VanDerWaalsContact O-CB 3.29Å; E2026-T2030 WeakPolarHBondContact O-CB 3.36Å; E2026-T2030 PolarHBondContact O-N 3.09Å; E2026-T2030 PolarHBondContact O-OG1 3.44Å; L2027-T2030 CarbonylContact O-C 3.55Å; L2027-T2030 PolarHBondContact O-N 2.68Å; Q2028-T2030 VanDerWaalsContact C-N 3.34Å; T2030-S2033 CarbonylContact O-C 3.55Å; T2030-S2033 PolarHBondContact O-N 2.62Å; T2030-L2034 HydrophobicContact CG2-CD1 4.21Å; T2030-L2034 WeakPolarHBondContact O-CB 3.36Å; T2030-L2034 WeakPolarHBondContact O-CG 3.47Å; T2030-L2034 PolarHBondContact O-N 3.07Å
2031A77.6Confident77.5Confident51 Ų5193.4 Ų93.442%0.42149%0.493SS..Hα-helixtrans-69.7-37.6174.500000111.6L2027 Q2028 L2034 R2035L2027-A2031 VanDerWaalsContact O-CB 3.27Å; L2027-A2031 WeakPolarHBondContact O-CB 3.2Å; L2027-A2031 PolarHBondContact O-N 3.23Å; Q2028-A2031 PolarHBondContact O-N 3.24Å; A2031-L2034 PolarHBondContact O-N 2.66Å; A2031-R2035 WeakPolarHBondContact O-CB 3.09Å; A2031-R2035 PolarHBondContact O-N 3.15Å
2032H80.1Confident76.2Confident121 Ų12193.2 Ų93.256%0.5649%0.492SS*.Hα-helixtrans-72.3-31173.2-149.4-38.5000111.6Q2028 L2036Q2028-H2032 WeakPolarHBondContact O-CB 3.23Å; Q2028-H2032 PolarHBondContact O-N 2.73Å; H2032-L2036 VanDerWaalsContact O-CB 3.23Å; H2032-L2036 WeakPolarHBondContact O-CB 3.29Å; H2032-L2036 WeakPolarHBondContact O-CD1 3.18Å; H2032-L2036 VanDerWaalsContact O-CG 3.22Å; H2032-L2036 WeakPolarHBondContact O-CG 2.97Å; H2032-L2036 PolarHBondContact O-N 3.44Å
2033S80.8Confident74.9Confident53 Ų5394.2 Ų94.237%0.37150%0.496SS..Hα-helixtrans-74.5-28.5169.5-171.20000112.5A2029 T2030 N2037A2029-S2033 WeakPolarHBondContact O-CB 3.22Å; A2029-S2033 PolarHBondContact O-N 2.95Å; T2030-S2033 CarbonylContact O-C 3.55Å; T2030-S2033 PolarHBondContact O-N 2.62Å; S2033-N2037 WeakPolarHBondContact O-CB 3.21Å; S2033-N2037 PolarHBondContact O-N 2.71Å; S2033-N2037 PolarHBondContact O-ND2 2.91Å; S2033-N2037 PolarHBondContact O-OD1 2.81Å
2034L78.3Confident74Confident93 Ų9396.5 Ų96.549%0.48750%0.501SS..Hα-helixtrans-76.4-43.2173-82.6166.3000110.3T2030 A2031 L2036 N2037 I2038T2030-L2034 HydrophobicContact CG2-CD1 4.21Å; T2030-L2034 WeakPolarHBondContact O-CB 3.36Å; T2030-L2034 WeakPolarHBondContact O-CG 3.47Å; T2030-L2034 PolarHBondContact O-N 3.07Å; A2031-L2034 PolarHBondContact O-N 2.66Å; L2034-L2036 VanDerWaalsContact C-N 3.29Å; L2034-L2036 PolarHBondContact O-N 3.37Å; L2034-N2037 CarbonylContact O-C 3.58Å; L2034-N2037 PolarHBondContact O-N 2.86Å; L2034-N2037 VanDerWaalsContact O-N 3.17Å; L2034-I2038 VanDerWaalsContact O-CB 3.28Å; L2034-I2038 WeakPolarHBondContact O-CB 3.49Å; L2034-I2038 VanDerWaalsContact O-CG1 3.23Å; L2034-I2038 WeakPolarHBondContact O-CG1 3.5Å; L2034-I2038 PolarHBondContact O-N 3.13Å
2035R75.5Confident72.4Confident174 Ų17497.5 Ų97.566%0.65750%0.503SS*.Hα-helixtrans-59.6-38.7168-77.7-176.2168.1-175.9-5.4111.6A2031 A2039A2031-R2035 WeakPolarHBondContact O-CB 3.09Å; A2031-R2035 PolarHBondContact O-N 3.15Å; R2035-A2039 WeakPolarHBondContact O-CB 3.32Å; R2035-A2039 PolarHBondContact O-N 3.09Å
2036L78.2Confident70.6Confident104 Ų10498 Ų9855%0.54551%0.508SS..Hα-helixtrans-71.4-33.8172.3-79.4167.3000113.5H2032 L2034 E2040H2032-L2036 VanDerWaalsContact O-CB 3.23Å; H2032-L2036 WeakPolarHBondContact O-CB 3.29Å; H2032-L2036 WeakPolarHBondContact O-CD1 3.18Å; H2032-L2036 VanDerWaalsContact O-CG 3.22Å; H2032-L2036 WeakPolarHBondContact O-CG 2.97Å; H2032-L2036 PolarHBondContact O-N 3.44Å; L2034-L2036 VanDerWaalsContact C-N 3.29Å; L2034-L2036 PolarHBondContact O-N 3.37Å; L2036-E2040 WeakPolarHBondContact O-CA 3.46Å; L2036-E2040 WeakPolarHBondContact O-CB 3.1Å; L2036-E2040 PolarHBondContact O-N 2.84Å
2037N73Confident69Low82 Ų8294.7 Ų94.744%0.43950%0.498SS..Hα-helixtrans-79.8-28.5178.3-71.8-8.2000112.4S2033 L2034 A2041S2033-N2037 WeakPolarHBondContact O-CB 3.21Å; S2033-N2037 PolarHBondContact O-N 2.71Å; S2033-N2037 PolarHBondContact O-ND2 2.91Å; S2033-N2037 PolarHBondContact O-OD1 2.81Å; L2034-N2037 CarbonylContact O-C 3.58Å; L2034-N2037 PolarHBondContact O-N 2.86Å; L2034-N2037 VanDerWaalsContact O-N 3.17Å; N2037-A2041 WeakPolarHBondContact O-CB 3.21Å; N2037-A2041 PolarHBondContact O-N 2.86Å
2038I74.2Confident67Low91 Ų9192.8 Ų92.847%0.46749%0.492SS..Hα-helixtrans-72.1-49.6169.5-69.7166000108.1L2034 E2040 A2041 E2042L2034-I2038 VanDerWaalsContact O-CB 3.28Å; L2034-I2038 WeakPolarHBondContact O-CB 3.49Å; L2034-I2038 VanDerWaalsContact O-CG1 3.23Å; L2034-I2038 WeakPolarHBondContact O-CG1 3.5Å; L2034-I2038 PolarHBondContact O-N 3.13Å; I2038-E2040 VanDerWaalsContact C-N 3.26Å; I2038-E2040 PolarHBondContact O-N 3.44Å; I2038-A2041 CarbonylContact O-C 3.56Å; I2038-A2041 WeakPolarHBondContact O-CA 3.19Å; I2038-A2041 WeakPolarHBondContact O-CB 3.42Å; I2038-A2041 PolarHBondContact O-N 3.07Å; I2038-E2042 HydrophobicContact CG2-CG 4.4Å; I2038-E2042 WeakPolarHBondContact O-CB 3.3Å; I2038-E2042 WeakPolarHBondContact O-CG 3.42Å; I2038-E2042 PolarHBondContact O-N 3.19Å
2039A66.3Low64.7Low34 Ų3493 Ų9328%0.28150%0.497SS..Hα-helixtrans-59-35.1171.200000112.3R2035 L2043R2035-A2039 WeakPolarHBondContact O-CB 3.32Å; R2035-A2039 PolarHBondContact O-N 3.09Å; A2039-L2043 WeakPolarHBondContact O-CB 3.23Å; A2039-L2043 WeakPolarHBondContact O-CD1 3.3Å; A2039-L2043 WeakPolarHBondContact O-CG 3.29Å; A2039-L2043 PolarHBondContact O-N 2.92Å
2040E71.5Confident62.8Low81 Ų8193.3 Ų93.338%0.37949%0.493SS..Hα-helixtrans-75.2-27.6173.9-162.6-172.5-146.300112.3L2036 I2038 L2043 R2044L2036-E2040 WeakPolarHBondContact O-CA 3.46Å; L2036-E2040 WeakPolarHBondContact O-CB 3.1Å; L2036-E2040 PolarHBondContact O-N 2.84Å; I2038-E2040 VanDerWaalsContact C-N 3.26Å; I2038-E2040 PolarHBondContact O-N 3.44Å; E2040-L2043 CarbonylContact O-C 3.59Å; E2040-R2044 VanDerWaalsContact O-CB 3.26Å; E2040-R2044 WeakPolarHBondContact O-CB 3.48Å; E2040-R2044 WeakPolarHBondContact O-CG 3.18Å; E2040-R2044 PolarHBondContact O-N 2.85Å; E2040-R2044 IonicContact OE1-CZ 3.37Å; E2040-R2044 IonicContact OE1-NH1 3.98Å; E2040-R2044 IonicContact OE1-NH2 3.31Å; E2040-R2044 PolarHBondContact OE1-NH2 3.44Å; E2040-R2044 IonicContact OE2-CZ 2.97Å; E2040-R2044 VanDerWaalsContact OE2-CZ 3.25Å; E2040-R2044 IonicContact OE2-NH1 2.75Å; E2040-R2044 PolarHBondContact OE2-NH1 3.23Å; E2040-R2044 IonicContact OE2-NH2 2.81Å; E2040-R2044 PolarHBondContact OE2-NH2 3.43Å; E2040-R2044 VanDerWaalsContact OE2-NH2 3.16Å
2041A64.8Low60.6Low44 Ų4493.2 Ų93.236%0.36450%0.495SS..Hα-helixtrans-73.6-43.9172.100000111.1N2037 I2038 R2044 L2045N2037-A2041 WeakPolarHBondContact O-CB 3.21Å; N2037-A2041 PolarHBondContact O-N 2.86Å; I2038-A2041 CarbonylContact O-C 3.56Å; I2038-A2041 WeakPolarHBondContact O-CA 3.19Å; I2038-A2041 WeakPolarHBondContact O-CB 3.42Å; I2038-A2041 PolarHBondContact O-N 3.07Å; A2041-R2044 CarbonylContact O-C 3.55Å; A2041-R2044 WeakPolarHBondContact O-CA 2.89Å; A2041-R2044 PolarHBondContact O-N 3.42Å; A2041-L2045 WeakPolarHBondContact O-CB 3.16Å; A2041-L2045 WeakPolarHBondContact O-CG 3.34Å; A2041-L2045 PolarHBondContact O-N 3.2Å
2042E51.6Low58.3Low111 Ų11193.6 Ų93.652%0.51949%0.492SS..Hα-helixtrans-61.7-44.7170.7-68.4168156.300110.6I2038 R2044 L2045 M2046I2038-E2042 HydrophobicContact CG2-CG 4.4Å; I2038-E2042 WeakPolarHBondContact O-CB 3.3Å; I2038-E2042 WeakPolarHBondContact O-CG 3.42Å; I2038-E2042 PolarHBondContact O-N 3.19Å; E2042-R2044 PolarHBondContact O-N 2.81Å; E2042-L2045 PolarHBondContact O-N 2.88Å; E2042-M2046 WeakPolarHBondContact O-CB 3.5Å; E2042-M2046 WeakPolarHBondContact O-CG 3.13Å; E2042-M2046 PolarHBondContact O-N 3.46Å
2043L55.5Low56.2Low111 Ų11193.9 Ų93.958%0.58150%0.497SS*.Hα-helixtrans-72.5-1.8171.9-68.5166.7000114A2039 E2040 M2046 P2047A2039-L2043 WeakPolarHBondContact O-CB 3.23Å; A2039-L2043 WeakPolarHBondContact O-CD1 3.3Å; A2039-L2043 WeakPolarHBondContact O-CG 3.29Å; A2039-L2043 PolarHBondContact O-N 2.92Å; E2040-L2043 CarbonylContact O-C 3.59Å; L2043-M2046 HydrophobicContact CD2-CE 3.93Å; L2043-P2047 WeakPolarHBondContact O-CD 3.04Å; L2043-P2047 WeakPolarHBondContact O-CG 3.34Å
2044R63.3Low54Low146 Ų14696.9 Ų96.955%0.55152%0.515SS*.Hα-helixtrans-103.9-30166.4-81.8175.4179.1129.413.8112.7E2040 A2041 E2042 T2048E2040-R2044 VanDerWaalsContact O-CB 3.26Å; E2040-R2044 WeakPolarHBondContact O-CB 3.48Å; E2040-R2044 WeakPolarHBondContact O-CG 3.18Å; E2040-R2044 PolarHBondContact O-N 2.85Å; E2040-R2044 IonicContact OE1-CZ 3.37Å; E2040-R2044 IonicContact OE1-NH1 3.98Å; E2040-R2044 IonicContact OE1-NH2 3.31Å; E2040-R2044 PolarHBondContact OE1-NH2 3.44Å; E2040-R2044 IonicContact OE2-CZ 2.97Å; E2040-R2044 VanDerWaalsContact OE2-CZ 3.25Å; E2040-R2044 IonicContact OE2-NH1 2.75Å; E2040-R2044 PolarHBondContact OE2-NH1 3.23Å; E2040-R2044 IonicContact OE2-NH2 2.81Å; E2040-R2044 PolarHBondContact OE2-NH2 3.43Å; E2040-R2044 VanDerWaalsContact OE2-NH2 3.16Å; A2041-R2044 CarbonylContact O-C 3.55Å; A2041-R2044 WeakPolarHBondContact O-CA 2.89Å; A2041-R2044 PolarHBondContact O-N 3.42Å; E2042-R2044 PolarHBondContact O-N 2.81Å; R2044-T2048 PolarHBondContact O-N 3.44Å; R2044-T2048 PolarHBondContact O-OG1 2.94Å
2045L47.4Very low51.8Low114 Ų11495.2 Ų95.260%0.59752%0.521SS*.Hα-helixtrans-75.1-40.1173.1-72.9164.1000111.3A2041 E2042 T2048 L2049A2041-L2045 WeakPolarHBondContact O-CB 3.16Å; A2041-L2045 WeakPolarHBondContact O-CG 3.34Å; A2041-L2045 PolarHBondContact O-N 3.2Å; E2042-L2045 PolarHBondContact O-N 2.88Å; L2045-T2048 WeakPolarHBondContact O-CA 3.46Å; L2045-T2048 WeakPolarHBondContact O-CB 3.2Å; L2045-T2048 PolarHBondContact O-N 2.86Å; L2045-L2049 PolarHBondContact O-N 3.18Å; L2045-L2049 VanDerWaalsContact O-N 3.07Å
2046M43.2Very low49.5Very low120 Ų12093 Ų9359%0.59153%0.527SS*.Hα-helixtrans-57.7-44.7175.7-79.7-146.6-7800113.6E2042 L2043 T2048 T2050E2042-M2046 WeakPolarHBondContact O-CB 3.5Å; E2042-M2046 WeakPolarHBondContact O-CG 3.13Å; E2042-M2046 PolarHBondContact O-N 3.46Å; L2043-M2046 HydrophobicContact CD2-CE 3.93Å; M2046-T2048 VanDerWaalsContact C-N 3.31Å; M2046-T2048 PolarHBondContact O-N 2.82Å; M2046-T2050 WeakPolarHBondContact O-CB 3.49Å; M2046-T2050 PolarHBondContact O-OG1 3.42Å
2047P46.7Very low47.2Very low67 Ų6798.2 Ų98.244%0.43555%0.545SS..Hα-helixtrans-63.1-32.4169.3-26.235.2000114.4L2043 L2049 T2050 S2051L2043-P2047 WeakPolarHBondContact O-CD 3.04Å; L2043-P2047 WeakPolarHBondContact O-CG 3.34Å; P2047-L2049 VanDerWaalsContact C-N 3.34Å; P2047-L2049 PolarHBondContact O-N 3.4Å; P2047-T2050 CarbonylContact O-C 3.57Å; P2047-T2050 PolarHBondContact O-N 3.05Å; P2047-S2051 PolarHBondContact O-N 3.44Å; P2047-S2051 PolarHBondContact O-OG 2.99Å
2048T39Very low45.1Very low89 Ų89101 Ų10155%0.54656%0.56SS.*Hα-helixtrans-74.8-23.3-176.1-54.70000112.5R2044 L2045 M2046 T2050 L2089R2044-T2048 PolarHBondContact O-N 3.44Å; R2044-T2048 PolarHBondContact O-OG1 2.94Å; L2045-T2048 WeakPolarHBondContact O-CA 3.46Å; L2045-T2048 WeakPolarHBondContact O-CB 3.2Å; L2045-T2048 PolarHBondContact O-N 2.86Å; M2046-T2048 VanDerWaalsContact C-N 3.31Å; M2046-T2048 PolarHBondContact O-N 2.82Å; T2048-T2050 VanDerWaalsContact C-N 3.34Å; T2048-L2089 WeakPolarHBondContact O-CD2 3.44Å
2049L33.1Very low43Very low134 Ų134104.5 Ų104.570%0.70258%0.579SS**THydrogen-bonded Turntrans-83.4-5.6166.7-72.8168.9000113.8L2045 P2047 T2090L2045-L2049 PolarHBondContact O-N 3.18Å; L2045-L2049 VanDerWaalsContact O-N 3.07Å; P2047-L2049 VanDerWaalsContact C-N 3.34Å; P2047-L2049 PolarHBondContact O-N 3.4Å; L2049-T2090 PolarHBondContact O-OG1 2.85Å
2050T38Very low41.2Very low67 Ų67107.3 Ų107.341%0.41160%0.596SS.*SBendtrans-134.238.6-166-37.40000113.6M2046 P2047 T2048M2046-T2050 WeakPolarHBondContact O-CB 3.49Å; M2046-T2050 PolarHBondContact O-OG1 3.42Å; P2047-T2050 CarbonylContact O-C 3.57Å; P2047-T2050 PolarHBondContact O-N 3.05Å; T2048-T2050 VanDerWaalsContact C-N 3.34Å
2051S34.2Very low39.3Very low70 Ų70107 Ų10749%0.4962%0.615SS.*  trans-157.172.1179.852.80000117.8P2047 T2090P2047-S2051 PolarHBondContact O-N 3.44Å; P2047-S2051 PolarHBondContact O-OG 2.99Å; S2051-T2090 PolarHBondContact N-O 3.3Å
2052V30.3Very low37.9Very low59 Ų59111.9 Ų111.936%0.35863%0.633SS.*  trans-145.8107.5134176.90000110.1A2088 L2089 T2090V2052-A2088 WeakPolarHBondContact CB-O 3.26Å; V2052-A2088 WeakPolarHBondContact CG1-O 3.45Å; V2052-A2088 HydrophobicContact CG2-CB 4.23Å; V2052-L2089 HydrophobicContact CB-CB 3.6Å; V2052-L2089 HydrophobicContact CG2-CB 3.47Å; V2052-L2089 VanDerWaalsContact CG2-CB 3.47Å; V2052-T2090 PolarHBondContact N-O 2.83Å; V2052-T2090 VanDerWaalsContact N-O 3.15Å; V2052-T2090 PolarHBondContact O-N 3.15Å
2053L35.5Very low37Very low127 Ų127112.7 Ų112.767%0.66564%0.641SS**  trans-101.3139.8143.1-94.769.6000105.9S2091 A2092L2053-S2091 WeakPolarHBondContact CD1-O 3.14Å; L2053-A2092 HydrophobicContact CD1-CB 4.43Å
2054P35.5Very low35.8Very low117 Ų117113.9 Ų113.976%0.7665%0.648SS**  -142.1178.57834.7-15.4000113.1
2055G31.3Very low34.2Very low58 Ų58111.7 Ų111.760%0.59865%0.651SS**  cis119.193.85.400000112.3
2056T27.7Very low33.4Very low128 Ų128111.3 Ų111.379%0.78566%0.658SS**  trans46.8117.2160.759.50000119.9
2057F29.7Very low32.7Very low212 Ų212114.7 Ų114.793%0.9367%0.672SS**  trans-144.5140.4136.2-98.5-69.8000112.5
2058N28.8Very low31.7Very low140 Ų140116.3 Ų116.375%0.74969%0.686SS**  trans-78.6166.9175.9-66.6-71.8000111.9
2059L30Very low31.2Very low165 Ų165116.7 Ų116.786%0.86469%0.692SS**  trans141.8142.2140.4-75.6162.2000110.4
2060S27.7Very low30.9Very low93 Ų93118.1 Ų118.165%0.6570%0.697SS**  cis-178.9120.7-25.546.90000108.4
2061G32.4Very low30.5Very low74 Ų74121.4 Ų121.476%0.76371%0.71SS**  trans69.6178.9-17600000113.4
2062I34.4Very low30.3Very low148 Ų148126.1 Ų126.176%0.75972%0.722SS**  cis-136.5125.76.7-72.1-179.5000108.9
2063N32.6Very low30.3Very low127 Ų127131.2 Ų131.268%0.67974%0.742SS**  29.6145.1125-39-12.1000118.1
2064N31.2Very low29.9Very low136 Ų136130.8 Ų130.873%0.72775%0.749SS**  cis-178.7160.84.5-115.66.5000110.8
2065T30.5Very low29.7Very low100 Ų100130 Ų13061%0.61375%0.753SS**  trans51.9103.7131.8-46.40000121.1
2066S29.9Very low29.8Very low107 Ų107131 Ų13175%0.74876%0.756SS**  35.5108.1114.5-34.60000120.4
2067Q28.3Very low30Very low190 Ų190134 Ų13489%0.88876%0.758SS**  trans180157.3156.3-103.5168.367.700107.3
2068S25.6Very low30.2Very low102 Ų102133.2 Ų133.271%0.71375%0.754SS**  cis-161.9-175.9-19.1-157.50000109.2
2069S29.2Very low30.3Very low96 Ų96133.8 Ų133.867%0.67175%0.75SS**  trans-53.6133.7169.457.20000115.5
2070M25.6Very low30.2Very low165 Ų165130.7 Ų130.781%0.81374%0.742SS**  trans68.4150.4149.8-62.6-170.680.500121.4
2071I29.6Very low30.4Very low135 Ų135133.3 Ų133.369%0.69275%0.748SS**  trans82.8116.9148.4-73.2153.5000120.1
2072K31.3Very low30.3Very low170 Ų170135.1 Ų135.174%0.73974%0.744SS**  trans53.6123143.5-69.1178.2-176.5177.60123.1
2073Q29.2Very low30.1Very low165 Ų165137.6 Ų137.677%0.77175%0.745SS**  80.2135.5127.7-67.7173.9-45.900121.7
2074S28.3Very low30.1Very low118 Ų118135 Ų13583%0.82575%0.749SS**  trans70.6121.1166.673.90000115.9
2075A31Very low30.2Very low100 Ų100134.9 Ų134.983%0.82675%0.748SS**  97.3142.566.900000112.3
2076A32.5Very low30.3Very low81 Ų81137.9 Ų137.967%0.66976%0.755SS**  cis-172.4159.1-13.700000113.2
2077K32.8Very low30.5Very low190 Ų190138.2 Ų138.283%0.82676%0.758SS**  trans75134.3141.2-83.6169.5-179.3174.90124
2078K33.7Very low31.1Very low195 Ų195132.4 Ų132.485%0.84874%0.742SS**  trans75.3162.9144.1-70.5177.4171.7-165.50120.1
2079K30.7Very low31.6Very low153 Ų153132.6 Ų132.667%0.66573%0.734SS**  cis-179145.4-43.8-137.6-159-174.2-158.10107.2E762E762-K2079 IonicContact OE1-NZ 2.76Å; E762-K2079 PolarHBondContact OE1-NZ 2.82Å; E762-K2079 IonicContact OE2-NZ 3.15Å; E762-K2079 PolarHBondContact OE2-NZ 2.68Å; E762-K2079 VanDerWaalsContact OE2-NZ 3.13Å
2080S27.5Very low32Very low99 Ų99130.6 Ų130.669%0.69272%0.718SS**  trans87.8136.6144.7-144.20000124.6
2081L31.4Very low32.5Very low149 Ų149125 Ų12578%0.7870%0.695SS**  trans94.4105.9131.3-118.453000125.5
2082V31.7Very low32.8Very low112 Ų112122.3 Ų122.368%0.67969%0.693SS**  85.2123.3116.8159.50000126.4
2083Y29.3Very low33.4Very low200 Ų200123.9 Ų123.978%0.78470%0.7SS**  trans58.5144.9145.7-83.6-118.1000125.2
2084G33Very low33.9Very low73 Ų73122.7 Ų122.775%0.75369%0.693SS**  trans152.874.3149.600000122.3
2085D33.1Very low35.1Very low132 Ų132121.7 Ų121.771%0.70668%0.682SS**  trans35136.3144.6-85.339.5000128
2086Q32.8Very low35.8Very low163 Ų163126 Ų12676%0.76268%0.682SS**  trans83.7115.4135.3-71.4176.246.700125.3
2087S34.2Very low36.5Very low115 Ų115126 Ų12680%0.80467%0.67SS**  107.8120.4124.774.40000123.8
2088A39.8Very low37.5Very low68 Ų68124 Ų12456%0.56266%0.661SS**  trans92.8105.6133.900000124.4V2052V2052-A2088 WeakPolarHBondContact CB-O 3.26Å; V2052-A2088 WeakPolarHBondContact CG1-O 3.45Å; V2052-A2088 HydrophobicContact CG2-CB 4.23Å
2089L36.3Very low38.2Very low105 Ų105119 Ų11955%0.5564%0.644SS.*  trans79.2-167.2130.3-100.565000122.1T2048 V2052T2048-L2089 WeakPolarHBondContact O-CD2 3.44Å; V2052-L2089 HydrophobicContact CB-CB 3.6Å; V2052-L2089 HydrophobicContact CG2-CB 3.47Å; V2052-L2089 VanDerWaalsContact CG2-CB 3.47Å
2090T37.7Very low39.3Very low54 Ų54114.6 Ų114.633%0.33163%0.63SS.*  trans-144.7157.1-131.952.20000119.2L2049 S2051 V2052L2049-T2090 PolarHBondContact O-OG1 2.85Å; S2051-T2090 PolarHBondContact N-O 3.3Å; V2052-T2090 PolarHBondContact N-O 2.83Å; V2052-T2090 VanDerWaalsContact N-O 3.15Å; V2052-T2090 PolarHBondContact O-N 3.15Å
2091S36.5Very low40.1Very low48 Ų48111.9 Ų111.934%0.33661%0.61SS.*  trans78.4133.9139.1-161.40000123.1L2053L2053-S2091 WeakPolarHBondContact CD1-O 3.14Å
2092A35.8Very low41.2Very low79 Ų79108.6 Ų108.665%0.65360%0.597SS**SBendtrans-156.616.9164.100000116.2L2053L2053-A2092 HydrophobicContact CD1-CB 4.43Å
2093K43.5Very low41.8Very low202 Ų202109.1 Ų109.188%0.87860%0.596SS**  trans-112.33.1179.3-90-170.7175.4-176.90115.7T2095K2093-T2095 PolarHBondContact O-N 2.78Å; K2093-T2095 VanDerWaalsContact O-N 3.11Å
2094F41.3Very low42.6Very low140 Ų140103.2 Ų103.261%0.61458%0.577SS**THydrogen-bonded Turntrans-65.4-12.4-178.8-122.4-96.1000114.9K2096 L2097 K2098F2094-K2096 PolarHBondContact O-N 3.48Å; F2094-L2097 HydrophobicContact CE1-CD2 4.25Å; F2094-L2097 PolarHBondContact O-N 3.49Å; F2094-K2098 PolarHBondContact O-N 3.11Å
2095T52Low43.2Very low98 Ų98106.3 Ų106.360%0.60158%0.576SS**Hα-helixtrans-67.4-32.5-169.5-37.80000114.4K2093 K2098K2093-T2095 PolarHBondContact O-N 2.78Å; K2093-T2095 VanDerWaalsContact O-N 3.11Å; T2095-K2098 WeakPolarHBondContact O-CB 3.17Å; T2095-K2098 PolarHBondContact O-N 2.77Å
2096K46.8Very low43.8Very low189 Ų189104.4 Ų104.482%0.82257%0.572SS**Hα-helixtrans-75.8-31.6178.2-83.6-156.6168.7-160.60113.6F2094 K2098F2094-K2096 PolarHBondContact O-N 3.48Å; K2096-K2098 PolarHBondContact O-N 2.82Å
2097L47.6Very low44.1Very low83 Ų83107.7 Ų107.744%0.43558%0.578SS.*Hα-helixtrans-66.2-33.5173.3-164.967.4000110.8F2094 N2099 V2100 C2101F2094-L2097 HydrophobicContact CE1-CD2 4.25Å; F2094-L2097 PolarHBondContact O-N 3.49Å; L2097-N2099 VanDerWaalsContact C-N 3.35Å; L2097-N2099 PolarHBondContact O-N 3Å; L2097-V2100 PolarHBondContact O-N 3.14Å; L2097-C2101 PolarHBondContact O-N 2.9Å; L2097-C2101 PolarHBondContact O-SG 2.91Å; L2097-C2101 VanDerWaalsContact O-SG 3.36Å
2098K52.2Low44.3Very low146 Ų146108 Ų10864%0.63557%0.574SS**Hα-helixtrans-61.6-33.6-178.7-168.2174.3179.6178.50114.4F2094 T2095 K2096 V2102F2094-K2098 PolarHBondContact O-N 3.11Å; T2095-K2098 WeakPolarHBondContact O-CB 3.17Å; T2095-K2098 PolarHBondContact O-N 2.77Å; K2096-K2098 PolarHBondContact O-N 2.82Å; K2098-V2102 VanDerWaalsContact O-CG2 3.31Å; K2098-V2102 WeakPolarHBondContact O-CG2 3.45Å; K2098-V2102 PolarHBondContact O-N 2.78Å
2099N49.7Very low44Very low91 Ų91107.7 Ų107.749%0.48758%0.578SS.*Hα-helixtrans-72.7-45.8176-74.625.5000111L2097 C2101 V2102 D2103L2097-N2099 VanDerWaalsContact C-N 3.35Å; L2097-N2099 PolarHBondContact O-N 3Å; N2099-C2101 VanDerWaalsContact C-N 3.29Å; N2099-C2101 PolarHBondContact O-N 3.34Å; N2099-V2102 PolarHBondContact O-N 2.89Å; N2099-D2103 PolarHBondContact O-N 2.87Å; N2099-D2103 VanDerWaalsContact O-N 3.17Å
2100V52.6Low44.1Very low61 Ų61108.6 Ų108.637%0.3759%0.588SS.*Hα-helixtrans-59.9-39.2178.8-177.70000111.7V1234 L2097 V2102 L2104V1234-V2100 HydrophobicContact CG2-CG1 3.72Å; L2097-V2100 PolarHBondContact O-N 3.14Å; V2100-V2102 VanDerWaalsContact C-N 3.3Å; V2100-V2102 PolarHBondContact O-N 3.17Å; V2100-L2104 HydrophobicContact CG1-CD1 3.98Å; V2100-L2104 PolarHBondContact O-N 2.81Å; V2100-L2104 VanDerWaalsContact O-N 3.16Å
2101C44.7Very low43.8Very low41 Ų41112.7 Ų112.728%0.27761%0.608SS.*Hα-helixtrans-69.9-20.6174.7-64.20000114.1L2097 N2099 L2105L2097-C2101 PolarHBondContact O-N 2.9Å; L2097-C2101 PolarHBondContact O-SG 2.91Å; L2097-C2101 VanDerWaalsContact O-SG 3.36Å; N2099-C2101 VanDerWaalsContact C-N 3.29Å; N2099-C2101 PolarHBondContact O-N 3.34Å; C2101-L2105 WeakPolarHBondContact O-CB 3.29Å; C2101-L2105 WeakPolarHBondContact O-CD1 3.24Å; C2101-L2105 VanDerWaalsContact O-CG 3.23Å; C2101-L2105 WeakPolarHBondContact O-CG 3.43Å; C2101-L2105 PolarHBondContact O-N 3.46Å
2102V54.9Low43.8Very low81 Ų81116.9 Ų116.949%0.49162%0.622SS.*Hα-helixtrans-81.4-36.4176166.10000111.5K2098 N2099 V2100 L2105 S2106K2098-V2102 VanDerWaalsContact O-CG2 3.31Å; K2098-V2102 WeakPolarHBondContact O-CG2 3.45Å; K2098-V2102 PolarHBondContact O-N 2.78Å; N2099-V2102 PolarHBondContact O-N 2.89Å; V2100-V2102 VanDerWaalsContact C-N 3.3Å; V2100-V2102 PolarHBondContact O-N 3.17Å; V2102-L2105 PolarHBondContact O-N 3.38Å; V2102-S2106 WeakPolarHBondContact O-CB 3.45Å; V2102-S2106 PolarHBondContact O-N 3.45Å; V2102-S2106 VanDerWaalsContact O-N 3.1Å; V2102-S2106 PolarHBondContact O-OG 2.86Å
2103D44.4Very low43.7Very low123 Ų123120.5 Ų120.566%0.65862%0.619SS**Hα-helixtrans-66.9-41.6173-104.719000112N2099 S2106 R2107N2099-D2103 PolarHBondContact O-N 2.87Å; N2099-D2103 VanDerWaalsContact O-N 3.17Å; D2103-S2106 WeakPolarHBondContact O-CA 3.48Å; D2103-S2106 WeakPolarHBondContact O-CB 3.49Å; D2103-S2106 PolarHBondContact O-N 2.85Å; D2103-R2107 PolarHBondContact O-N 3.29Å
2104L45Very low43.4Very low75 Ų75117.1 Ų117.139%0.39361%0.61SS.*Hα-helixtrans-68.6-36177-72.6164.6000112.1M1233 V2100 S2106 R2107 V2108M1233-L2104 HydrophobicContact CG-CD1 3.78Å; M1233-L2104 HydrophobicContact SD-CB 4.29Å; M1233-L2104 HydrophobicContact SD-CD1 3.56Å; M1233-L2104 VanDerWaalsContact SD-CD1 3.56Å; V2100-L2104 HydrophobicContact CG1-CD1 3.98Å; V2100-L2104 PolarHBondContact O-N 2.81Å; V2100-L2104 VanDerWaalsContact O-N 3.16Å; L2104-S2106 PolarHBondContact O-N 3.45Å; L2104-R2107 PolarHBondContact O-N 3.48Å; L2104-V2108 PolarHBondContact O-N 2.75Å
2105L47.2Very low43.3Very low139 Ų139117.8 Ų117.873%0.72862%0.62SS**THydrogen-bonded Turntrans-70.6-9.8169.2-74.8171.2000114C2101 V2102C2101-L2105 WeakPolarHBondContact O-CB 3.29Å; C2101-L2105 WeakPolarHBondContact O-CD1 3.24Å; C2101-L2105 VanDerWaalsContact O-CG 3.23Å; C2101-L2105 WeakPolarHBondContact O-CG 3.43Å; C2101-L2105 PolarHBondContact O-N 3.46Å; V2102-L2105 PolarHBondContact O-N 3.38Å
2106S45.7Very low42.7Very low91 Ų91120.8 Ų120.864%0.63663%0.632SS**THydrogen-bonded Turntrans-94.3-0.5174.6-58.80000113.4V2102 D2103 L2104V2102-S2106 WeakPolarHBondContact O-CB 3.45Å; V2102-S2106 PolarHBondContact O-N 3.45Å; V2102-S2106 VanDerWaalsContact O-N 3.1Å; V2102-S2106 PolarHBondContact O-OG 2.86Å; D2103-S2106 WeakPolarHBondContact O-CA 3.48Å; D2103-S2106 WeakPolarHBondContact O-CB 3.49Å; D2103-S2106 PolarHBondContact O-N 2.85Å; L2104-S2106 PolarHBondContact O-N 3.45Å
2107R39.3Very low42.3Very low233 Ų233118.3 Ų118.388%0.87963%0.628SS**THydrogen-bonded Turntrans-124.1-10.7175.2-84.6-176.6168.8167.60.7115.4D2103 L2104D2103-R2107 PolarHBondContact O-N 3.29Å; L2104-R2107 PolarHBondContact O-N 3.48Å
2108V37.2Very low41.8Very low120 Ų120120.6 Ų120.673%0.72764%0.64SS**  trans-92.5101.4171.7179.80000109.6L2104L2104-V2108 PolarHBondContact O-N 2.75Å
2109G34.5Very low41Very low62 Ų62120.3 Ų120.364%0.63964%0.641SS**  trans-133.3142.3167.900000110
2110V36.9Very low40.3Very low124 Ų124125 Ų12575%0.75266%0.657SS**SBendtrans80.9100.8-172.9-1700000113.8
2111D32.7Very low39.6Very low140 Ų140125.8 Ų125.875%0.74968%0.678SS**  trans50.1109.2137-44.6-13.1000117.5
2112E35Very low39.5Very low136 Ų136131.4 Ų131.464%0.63671%0.705SS**  cis70.912018.1-131.5-155.4-177.900115.1
2113R35.4Very low39Very low156 Ų156134.2 Ų134.259%0.58972%0.717SS**  trans72.2144.8156.9-69.9-169.2-99.3-120.3-6.1119.5
2114D37.1Very low39Very low130 Ų130135 Ų13570%0.69572%0.721SS**  cis-135.7146.9-12.6-72-52000105.2
2115D38.9Very low39Very low155 Ų155138.5 Ų138.583%0.82974%0.741SS**  51.3142.673.5-77.1-12.6000115.8
2116D39.1Very low38.9Very low160 Ų160138.3 Ų138.386%0.85674%0.74SS**  trans-74.2168.8-159.7-80-61.6000117.9
2117D39Very low38.9Very low137 Ų137142.6 Ų142.673%0.73375%0.75SS**  trans79102.3154.4-105.73.9000121.3
2118L35.9Very low38.9Very low131 Ų131138.6 Ų138.669%0.68675%0.746SS**  77111.4128.5-70.2169.8000122.5
2119Q35.6Very low38.8Very low140 Ų140136.7 Ų136.765%0.65474%0.738SS**  trans98105.9139.8-63.8179.764.400122.2
2120K34.3Very low38.9Very low190 Ų190140.4 Ų140.483%0.82674%0.743SS**  trans72.6116.2134-61.9166.9-177.9146.30120.5
2121G38.3Very low38.8Very low78 Ų78140 Ų14080%0.80475%0.746SS**  trans-178.9127154.200000113.2
2122D42.1Very low38.8Very low159 Ų159142.5 Ų142.585%0.8575%0.753SS**  trans-94.8173-176.9-62.8-75000114.7
2123D45.2Very low38.7Very low139 Ų139141.9 Ų141.974%0.74376%0.764SS**  trans105146.4149.4-73.9-35.4000121
2124N43.9Very low38.6Very low139 Ų139138.7 Ų138.774%0.74377%0.765SS**  trans-114.4167.7-165.7-59.4-96.8000112.3
2125D45.2Very low38.6Very low150 Ų150138.8 Ų138.880%0.80277%0.766SS**  157.5133.1119.1-83.1-14.1000115.3
2126D45.2Very low38.5Very low135 Ų135138.1 Ų138.172%0.72276%0.762SS**  trans23.7133.4148.2-69.4-11.5000124.1
2127H46.2Very low38.5Very low180 Ų180137 Ų13783%0.83376%0.756SS**  165.4116.3118.6-78-10.6000108.9
2128N40.3Very low38.1Very low150 Ų150135 Ų13580%0.80275%0.752SS**  cis91147.240.3-166.140.5000115.2
2129S34.9Very low38Very low80 Ų80135.1 Ų135.156%0.55975%0.753SS**  trans87.6101.1166.2-78.40000122.5
2130D35.2Very low37.9Very low140 Ų140136.8 Ų136.875%0.74976%0.761SS**  72.5139.6114.5-55.6-49000123.6
2131S35.8Very low37.8Very low116 Ų116135.1 Ų135.181%0.81176%0.756SS**  trans133.1113.6131.8-570000116.2
2132H32.7Very low37.5Very low192 Ų192137 Ų13789%0.88975%0.747SS**  trans-73154.8163.1-42.9-99.5000111.8
2133S33.1Very low37Very low123 Ų123137.3 Ų137.386%0.8675%0.747SS**  -176.2178.211564.40000113.1
2134S32.4Very low36.3Very low88 Ų88139.2 Ų139.262%0.61575%0.749SS**  trans-91.4-177.5-163.843.10000116.2
2135D37Very low36.1Very low133 Ų133139 Ų13971%0.71175%0.746SS**  trans114.2129.7141.7-52.8-47.6000119.8
2136D37.3Very low35.8Very low140 Ų140135 Ų13575%0.74974%0.741SS**  trans63.1129.6143.8-55.7-13.2000126.3
2137D38Very low35.3Very low136 Ų136133.5 Ų133.573%0.72774%0.741SS**  trans64.990.2130.2-66.4-6.3000125.7
2138S32.5Very low34.6Very low95 Ų95127.9 Ų127.966%0.66473%0.732SS**  77.9158.3110.879.40000124.6
2139I33Very low34.2Very low135 Ų135128.1 Ų128.169%0.69273%0.731SS**  trans95.5126.1156.5-61.9159.1000119.5
2140E32.8Very low34Very low175 Ų175130.5 Ų130.582%0.81874%0.737SS**  trans59.6149.7158.3-76.1154.1-160.200119.5
2141E33.7Very low33.5Very low155 Ų155130.5 Ų130.572%0.72474%0.737SS**  cis-156164.6-8.5-144.8-176.5-155.500111.2
2142N31.1Very low33Very low118 Ų118130.4 Ų130.463%0.63174%0.736SS**  trans71.3132.2158.3-63.9-49.3000123.4
2143I32.5Very low32.8Very low164 Ų164128.8 Ų128.884%0.84173%0.733SS**  trans63.4127.2153-56.8163.5000118.7
2144F29.7Very low32.6Very low179 Ų179130.5 Ų130.579%0.78573%0.732SS**  167.9140.8-59.1-177.3-79.1000109.1
2145I40.6Very low32.4Very low134 Ų134135.7 Ų135.769%0.68774%0.739SS**  cis-174.7148.6-39.2-108.1161000107.4
2146G38Very low31.8Very low67 Ų67136.2 Ų136.269%0.69174%0.741SS**  trans139.359.3175.300000113.5
2147S35.4Very low31.4Very low103 Ų103133.2 Ų133.272%0.7274%0.744SS**  cis61.513143.7-47.60000113.5
2148G30.4Very low31.1Very low62 Ų62129.8 Ų129.864%0.63974%0.74SS**  cis160.4171.9-3.600000112.5
2149I31.8Very low30.8Very low155 Ų155133.7 Ų133.780%0.79574%0.742SS**  trans-177.1114.5163.9-89.9143.4000103
2150I30.2Very low30.5Very low131 Ų131136 Ų13667%0.67274%0.742SS**  cis72.9113.16.3-60.1-179.3000115.5
2151N26.3Very low30.3Very low140 Ų140133.7 Ų133.775%0.74973%0.734SS**  trans77.6137.6163.8-62.3-19.4000120.3
2152S25.2Very low30.1Very low113 Ų113132.4 Ų132.479%0.7973%0.732SS**  trans74.6128.4-179.3-26.80000114.1
2153L28.3Very low30.1Very low159 Ų159130.9 Ų130.983%0.83274%0.736SS**  cis-123.4108.63.7-75.1164000111.6
2154N29.6Very low29.8Very low158 Ų158130 Ų13085%0.84573%0.728SS**SBendtrans-98.1152.2132.6-162.4-17.4000106.2
2155R27.4Very low29.7Very low198 Ų198130.3 Ų130.375%0.74772%0.724SS**  trans86.9149-166.2-58.5-171.1170.8-160.7-1.3117.6
2156D24.9Very low29.2Very low143 Ų143130.4 Ų130.477%0.76573%0.726SS**SBendtrans56.391.4170.1-61.72.2000116.4
2157G28.5Very low28.7Very low78 Ų78136.3 Ų136.380%0.80474%0.735SS**SBendcis173.9178.81.200000111.9
2158G31.5Very low28.4Very low63 Ų63135.9 Ų135.965%0.64973%0.732SS**  cis-127.1-176.41.200000112.5
2159Y25.2Very low28.3Very low178 Ų178137.9 Ų137.970%0.69874%0.736SS**  cis51.1119.446.7-65.4-64.2000111.4
2160R28.1Very low28.2Very low183 Ų183138.1 Ų138.169%0.69174%0.738SS**  cis-140167.211.4-95.1140.1175.4-87.4-5.2110.1
2161I28.6Very low28.2Very low127 Ų127137.7 Ų137.765%0.65174%0.738SS**  39122.378.3-15.1175.6000109.1
2162D28.4Very low28.3Very low128 Ų128137.4 Ų137.468%0.68474%0.736SS**  -168.5157.964.8-89.3-76.6000112.3
2163A32.1Very low28.6Very low86 Ų86134.2 Ų134.271%0.71172%0.721SS**  trans60.3128.9148.300000118.8
2164E26Very low28.8Very low145 Ų145131.1 Ų131.168%0.67871%0.705SS**  47.111571.7-90.1-146.7-155.400114.6
2165R28.3Very low29.1Very low185 Ų185128.2 Ų128.270%0.69869%0.69SS**  73.6131.3123.5-165.8-175.7-126.4132.6-3.4118.8
2166D29.6Very low29.2Very low136 Ų136121.6 Ų121.673%0.72767%0.669SS**  trans17.4111.2149.7-39.3-36.5000117.9
2167E27.8Very low29.4Very low191 Ų191116.1 Ų116.189%0.89364%0.642SS**  -165.2173.4103.1-112.1-174.8-154.900115.7
2168S28.8Very low29.4Very low94 Ų94118.4 Ų118.466%0.65764%0.636SS**  trans-84.2161.7-163.353.10000116.7
2169S27.4Very low29.3Very low104 Ų104120.8 Ų120.873%0.72763%0.632SS**  trans79.4113.1153.677.30000118.9
2170L29.7Very low29.5Very low160 Ų160119 Ų11984%0.83863%0.634SS**  -165.4101.5100.4-90.5166.2000107.1
2171N30.3Very low29.5Very low123 Ų123115 Ų11566%0.65863%0.627SS**  73.4109.180.1-16620.7000113.3
2172N29.7Very low29.7Very low134 Ų134117.5 Ų117.572%0.71763%0.633SS**  trans52.4126.9170-63-34.2000118
2173G30Very low29.6Very low46 Ų46114.7 Ų114.747%0.47463%0.634SS.*  cis130.6-177.819.600000109.4
2174N32.3Very low29.6Very low93 Ų93116.2 Ų116.250%0.49764%0.639SS.*  trans34107.9158.3-75.241.6000117.7
2175N37.3Very low29.7Very low98 Ų98114.1 Ų114.152%0.52464%0.64SS.*  cis-153.8167.942.8-70.1-57.8000114.1K185K185-N2175 PolarHBondContact NZ-O 2.95Å
2176N28.5Very low29.6Very low58 Ų58116.2 Ų116.231%0.3165%0.648SS.*  trans-1.9135.8133.7-54.767.6000114.7D186D186-N2176 PolarHBondContact OD1-ND2 2.86Å
2177C29.5Very low29.6Very low29 Ų29114.4 Ų114.420%0.19665%0.646CS.*  59.4157.654-46.60000111.4K185K185-C2177 PolarHBondContact O-SG 3.41Å
2178D28Very low29.6Very low126 Ų126111.9 Ų111.967%0.67464%0.638SS**  trans67.5138.2152.4-85.216.3000119.8
2179I30.4Very low29.8Very low112 Ų112116.4 Ų116.457%0.57465%0.646SS**  cis-165.8157-11.4-150.8178.8000109.2N2181I2179-N2181 PolarHBondContact O-ND2 3.33Å
2180L29.2Very low29.9Very low141 Ų141115.8 Ų115.874%0.73865%0.648SS**  trans64.4155.5167-57.5170.5000113.8
2181N28.4Very low29.9Very low100 Ų100113.8 Ų113.854%0.53564%0.642SS.*  178.9151.671-97.6-74.6000112.5I2179I2179-N2181 PolarHBondContact O-ND2 3.33Å
2182K31.2Very low29.9Very low178 Ų178113.7 Ų113.777%0.77464%0.642SS**  trans53.4108.5142.2-59.4165-177.2110.30115
2183G27.5Very low30Very low69 Ų69116.9 Ų116.971%0.71164%0.643SS**  cis71.8141.63300000110.8
2184S31.7Very low29.9Very low118 Ų118124.3 Ų124.383%0.82566%0.657SS**  trans90.8130.5-150.5-175.80000111
2185C27.5Very low29.7Very low102 Ų102124.2 Ų124.269%0.68966%0.664SS**  cis-142.3143.2-11.4-1070000107.2
2186R27.6Very low29.4Very low229 Ų229125 Ų12586%0.86467%0.673SS**  62.2109.969.3-144.6-173.3-161.6-154.95.6113
2187S28.1Very low29.3Very low98 Ų98128.3 Ų128.369%0.68569%0.69SS**  trans81.2131.7150.6-122.70000121
2188N29.5Very low29.3Very low137 Ų137132.6 Ų132.673%0.73372%0.715SS**  trans96.4124140.7-56.4-24000120.2
2189K31.4Very low29.4Very low189 Ų189133.1 Ų133.182%0.82272%0.717SS**  trans70.7115.6162.2-61.5169.6-175.4176.60113.3
2190A29.8Very low29.3Very low92 Ų92133.3 Ų133.376%0.7672%0.719SS**  cis6216531.500000114.5
2191T30.2Very low29.5Very low117 Ų117132.8 Ų132.872%0.71872%0.718SS**  trans68121-171.275.90000117.1
2192N30.5Very low29.5Very low122 Ų122132.2 Ų132.265%0.65272%0.721SS**  trans83.8144.5146.4-65.1-23.6000119.5
2193R30.5Very low29.6Very low200 Ų200130.7 Ų130.776%0.75572%0.721SS**  cis171.6158.2-30-121-174.3-168.1139.7-10.5107.6
2194R28.9Very low29.7Very low203 Ų203134.1 Ų134.177%0.76672%0.718SS**  trans57.994.3135.3-174.1174.5-86.7-168.3-11.3117.1
2195S28Very low29.7Very low90 Ų90132.7 Ų132.763%0.62971%0.709SS**  77.1131.3113.2-54.60000120.6
2196T30Very low29.7Very low116 Ų116134 Ų13471%0.71271%0.713SS**  68.5170.4129.961.10000119.2
2197D27.8Very low29.7Very low127 Ų127127.1 Ų127.168%0.67970%0.701SS**  trans74.979.4151.5-53.1-39.7000118.9
2198T29Very low29.8Very low118 Ų118129.4 Ų129.472%0.72471%0.705SS**  87.6167.4122.7-33.90000117
2199L29.8Very low29.8Very low137 Ų137127.9 Ų127.972%0.71771%0.705SS**  trans89.682.8159.4-58.8177.9000118.4
2200N29.3Very low29.9Very low116 Ų116127.2 Ų127.262%0.6271%0.705SS**  71.4122.7101.3-75.710.8000121
2201N32.2Very low30Very low131 Ų131127.9 Ų127.970%0.70170%0.699SS**  76.6136123.6-60.1-8.9000120.7
2202S30Very low30.2Very low87 Ų87130.5 Ų130.561%0.60870%0.7SS**  trans67144.3160.2-61.70000115.4Q2204S2202-Q2204 PolarHBondContact OG-NE2 2.75Å
2203L31.6Very low30.3Very low147 Ų147129.8 Ų129.877%0.7770%0.7SS**  cis-10714316.5-84.187.9000111.6
2204Q31.4Very low30.5Very low140 Ų140126.9 Ų126.965%0.65471%0.705SS**  63.6133.963.8-59.5168.633.500111.7S2202S2202-Q2204 PolarHBondContact OG-NE2 2.75Å
2205S29.9Very low30.6Very low89 Ų89123 Ų12362%0.62270%0.699SS**  cis-172.8177.9-1.949.20000110.8
2206T28.9Very low31Very low128 Ų128123.9 Ų123.979%0.78570%0.701SS**  trans66.8141.1151.343.50000118.3
2207S28Very low31.1Very low86 Ų86124.5 Ų124.560%0.60170%0.699SS**  cis-168.6141.5-6.846.70000113.8
2208N29.8Very low31.3Very low146 Ų146124.9 Ų124.978%0.78170%0.701SS**  trans65.1144.1135.7-60.8-7000122.2
2209S30Very low31.3Very low104 Ų104123.4 Ų123.473%0.72770%0.695SS**  trans79.7133.5144.171.20000118.5
2210H32.4Very low31.5Very low176 Ų176124.4 Ų124.482%0.81570%0.702SS**  cis-171.1167.3-19.8-125-14.8000111
2211V31.1Very low31.6Very low106 Ų106128.4 Ų128.464%0.64271%0.713SS**  trans69.4131147.5164.50000117.1
2212K35.2Very low31.6Very low172 Ų172129.9 Ų129.975%0.74872%0.719SS**  cis-155.8142.4-11.4-109171-164.7157.80110.3
2213T32Very low31.5Very low106 Ų106133.1 Ų133.165%0.6573%0.725SS**  23.3129.1120.2-27.60000117
2214V34.8Very low31.4Very low139 Ų139132.6 Ų132.684%0.84272%0.723SS**  -167.8156.676.3153.70000111.4
2215N32.6Very low31.1Very low123 Ų123130.4 Ų130.466%0.65872%0.723SS**  cis177.9177.8-35-164.413.8000109.2
2216V34.6Very low30.9Very low108 Ų108132 Ų13266%0.65573%0.729SS**  trans79.6102163.3-172.70000115.6
2217L32.9Very low30.9Very low129 Ų129134.8 Ų134.868%0.67573%0.733SS**  77.7143.371-65161.3000113.3
2218N33Very low30.7Very low134 Ų134135.6 Ų135.672%0.71773%0.734SS**  cis-141.6158.811.9-89-47.6000109.5
2219S28.7Very low30.5Very low88 Ų88137.5 Ų137.562%0.61574%0.736SS**  cis83.5102.828.2-630000116.9
2220N33.8Very low30.5Very low158 Ų158138.2 Ų138.285%0.84574%0.738SS**  trans155.3123.9151.6-80.5-24.5000108.7
2221K30.3Very low30.2Very low199 Ų199136.6 Ų136.687%0.86573%0.734SS**  cis81.581.411.7-155.5178.9-173.1173.40117.4
2222I33.8Very low29.9Very low162 Ų162140.5 Ų140.583%0.83175%0.747SS**  trans-162.3129.8154.5-91137.7000105.3
2223H27.8Very low29.6Very low155 Ų155138.3 Ų138.372%0.71875%0.749SS**  cis93.1122.135.2-145.3-35.8000113.3
2224N28.2Very low29.4Very low137 Ų137139.1 Ų139.173%0.73375%0.753SS**  trans72.2157.8169.6-58.4-27.4000118.2
2225S25.7Very low29Very low94 Ų94139.2 Ų139.266%0.65775%0.749SS**  cis-175.3146.8-28.957.80000111
2226V25.5Very low28.7Very low123 Ų123139.1 Ų139.175%0.74575%0.753SS**  trans33.298.4143.8-172.50000118.4
2227Q28.1Very low28.3Very low186 Ų186141.3 Ų141.387%0.86976%0.76SS**  trans-167.6116.4133.5-104.1155.943.900109.2
2228T25.3Very low28Very low103 Ų103140.1 Ų140.163%0.63276%0.762SS**  77.6127.271-36.20000114.9
2229F25.2Very low27.7Very low185 Ų185139.5 Ų139.581%0.81177%0.768SS**  trans83.4141.3171-68.8-71.9000119.7
2230P30Very low27.8Very low119 Ų119141 Ų14177%0.77378%0.779SS**  trans-92.5141.6175.236.9-31.8000111.7
2231I26.3Very low27.8Very low143 Ų143138.5 Ų138.573%0.73377%0.771SS**  trans-138.8126.2176.3-62.6-176.7000110.6T2233I2231-T2233 HydrophobicContact CG2-CG2 4.4Å; I2231-T2233 PolarHBondContact O-N 3.46Å
2232M24.8Very low27.7Very low187 Ų187137 Ų13792%0.92177%0.772SS**  trans-67120.3163.9-71.5172154.100110.2
2233T28.9Very low27.6Very low127 Ų127133.2 Ų133.278%0.77977%0.766SS**  trans-139.788.8155.5380000110.8I2231I2231-T2233 HydrophobicContact CG2-CG2 4.4Å; I2231-T2233 PolarHBondContact O-N 3.46Å
2234T26.2Very low27.7Very low122 Ų122135.1 Ų135.175%0.74877%0.774SS**  trans-59.413714844.70000108.6
2235N27.2Very low27.9Very low141 Ų141136 Ų13675%0.75478%0.778SS**  trans167.2121.2138.6-87.4-16.9000113.6
2236V26.5Very low28Very low122 Ų122139.3 Ų139.374%0.73979%0.788SS**  58124110.3174.40000116.2
2237I27.1Very low28.4Very low154 Ų154141 Ų14179%0.7979%0.787SS**  cis-139.6137.140.9-56.5168.6000114.4
2238S26Very low28.6Very low104 Ų104138.1 Ų138.173%0.72778%0.783SS**  trans-32.1149.4158.3-31.10000120.8
2239S27.3Very low29.1Very low120 Ų120137.1 Ų137.184%0.83978%0.777SS**  trans-171.885.2132.739.40000116
2240S30.6Very low29.9Very low120 Ų120130.2 Ų130.284%0.83975%0.751SS**  trans53.8135.5144.1-151.80000122.8
2241P33.2Very low31.1Very low105 Ų105128.7 Ų128.768%0.68274%0.735SS**  trans-96.1160.9177.639-35.7000114.7
2242N27.7Very low33Very low167 Ų167128.2 Ų128.289%0.89373%0.729SS**  trans169.7116.7140.6-95.8-24.9000113.3
2243A31.5Very low34.9Very low84 Ų84124.1 Ų124.169%0.69471%0.708SS**  trans-173.189156.700000113.2
2244H31.6Very low36.7Very low195 Ų195124.6 Ų124.690%0.90370%0.697SS**  trans18.9129.7162.6-68.8-81000122.8N2246H2244-N2246 PolarHBondContact O-N 2.7Å
2245I30.9Very low38.7Very low156 Ų156120.5 Ų120.580%0.867%0.668SS**  trans-78.2109.5173.4-60.2156.3000110
2246N29.3Very low40.8Very low162 Ų162115.9 Ų115.987%0.86665%0.647SS**  trans-126.748.7156.9-96.49.3000108.4H2244 T2248H2244-N2246 PolarHBondContact O-N 2.7Å; N2246-T2248 PolarHBondContact O-N 3.45Å
2247Q33.7Very low43Very low158 Ų158115 Ų11574%0.73864%0.638SS**  trans-87.196.2171.2-169.116121.100108V2249Q2247-V2249 PolarHBondContact O-N 3.5Å
2248T31.4Very low45.2Very low127 Ų127112.7 Ų112.778%0.77962%0.62SS**  trans-53.5109.316546.10000108.1N2246 S2250N2246-T2248 PolarHBondContact O-N 3.45Å; T2248-S2250 PolarHBondContact O-N 2.65Å
2249V35.4Very low47.6Very low82 Ų82109.8 Ų109.850%0.49760%0.598SS.*  trans-53.3110.8164.3174.70000105.2Q2247 Q2253Q2247-V2249 PolarHBondContact O-N 3.5Å; V2249-Q2253 HydrophobicContact CG1-CB 3.49Å; V2249-Q2253 VanDerWaalsContact CG1-CB 3.49Å
2250S43.3Very low50Low39 Ų39111.8 Ų111.827%0.27359%0.587SS.*  trans-59.8155-172.273.90000109.8T2248 E2252 Q2253 Y2254T2248-S2250 PolarHBondContact O-N 2.65Å; S2250-E2252 PolarHBondContact O-N 3.27Å; S2250-E2252 PolarHBondContact OG-OE2 3.46Å; S2250-Q2253 CarbonylContact O-C 3.59Å; S2250-Q2253 WeakPolarHBondContact O-CA 3.45Å; S2250-Q2253 WeakPolarHBondContact O-CB 3.17Å; S2250-Q2253 PolarHBondContact O-N 2.69Å; S2250-Q2253 PolarHBondContact OG-N 2.97Å; S2250-Y2254 PolarHBondContact O-N 3.45Å
2251M53.8Low52.2Low87 Ų87110.4 Ų110.443%0.42957%0.566SS.*Hα-helixtrans-52-34.2175.8-94.7-71.7-98.300111.7E1445 Y2254 F2255E1445-M2251 HydrophobicContact CG-CE 3.86Å; E1445-M2251 WeakPolarHBondContact OE1-CE 3.4Å; M2251-Y2254 PolarHBondContact O-N 2.79Å; M2251-F2255 HydrophobicContact CB-CD2 4.45Å; M2251-F2255 HydrophobicContact CB-CE2 4.44Å; M2251-F2255 HydrophobicContact CE-CD2 4.41Å; M2251-F2255 HydrophobicContact CE-CE2 3.41Å; M2251-F2255 VanDerWaalsContact CE-CE2 3.41Å; M2251-F2255 HydrophobicContact CE-CZ 3.55Å; M2251-F2255 WeakPolarHBondContact O-CB 3.29Å; M2251-F2255 WeakPolarHBondContact O-CD2 3.22Å; M2251-F2255 WeakPolarHBondContact O-CG 3.33Å; M2251-F2255 PolarHBondContact O-N 3.12Å; M2251-F2255 HydrophobicContact SD-CD2 4.43Å; M2251-F2255 HydrophobicContact SD-CE2 3.96Å; M2251-F2255 HydrophobicContact SD-CZ 4.29Å
2252E66.6Low54.4Low133 Ų133108.8 Ų108.862%0.62155%0.551SS**Hα-helixtrans-66.8-34.7173.5-52.4156.2119.700113.3S2250 S2256S2250-E2252 PolarHBondContact O-N 3.27Å; S2250-E2252 PolarHBondContact OG-OE2 3.46Å; E2252-S2256 WeakPolarHBondContact O-CB 3.23Å; E2252-S2256 PolarHBondContact O-N 3.49Å
2253Q65.1Low56.9Low102 Ų102109.3 Ų109.348%0.47754%0.54SS..Hα-helixtrans-73.2-38.2172.8-69.2-175.61.800112V2249 S2250 S2256 L2257V2249-Q2253 HydrophobicContact CG1-CB 3.49Å; V2249-Q2253 VanDerWaalsContact CG1-CB 3.49Å; S2250-Q2253 CarbonylContact O-C 3.59Å; S2250-Q2253 WeakPolarHBondContact O-CA 3.45Å; S2250-Q2253 WeakPolarHBondContact O-CB 3.17Å; S2250-Q2253 PolarHBondContact O-N 2.69Å; S2250-Q2253 PolarHBondContact OG-N 2.97Å; Q2253-S2256 PolarHBondContact O-N 3.25Å; Q2253-L2257 PolarHBondContact O-N 3.16Å
2254Y67.7Low58.9Low137 Ų137106.7 Ų106.754%0.53752%0.519SS..Hα-helixtrans-64.9-48.1173.3-175.2-98.1000110.9S2250 M2251 S2256 L2257 Y2258S2250-Y2254 PolarHBondContact O-N 3.45Å; M2251-Y2254 PolarHBondContact O-N 2.79Å; Y2254-S2256 VanDerWaalsContact C-N 3.31Å; Y2254-S2256 PolarHBondContact O-N 3.43Å; Y2254-L2257 CarbonylContact O-C 3.6Å; Y2254-L2257 WeakPolarHBondContact O-CB 3.48Å; Y2254-L2257 PolarHBondContact O-N 2.92Å; Y2254-L2257 VanDerWaalsContact O-N 3.13Å; Y2254-Y2258 WeakPolarHBondContact O-CB 3.38Å; Y2254-Y2258 PolarHBondContact O-N 3.41Å
2255F66.8Low61.1Low35 Ų3599.3 Ų99.315%0.15449%0.485CS..Hα-helixtrans-62.4-34.1170.9-73.8-51000112.6D1449 R1452 M2251 L2257 Y2258 V2259D1449-F2255 VanDerWaalsContact OD1-CZ 3.22Å; D1449-F2255 WeakPolarHBondContact OD1-CZ 3.1Å; R1452-F2255 VanDerWaalsContact NH1-CZ 3.27Å; M2251-F2255 HydrophobicContact CB-CD2 4.45Å; M2251-F2255 HydrophobicContact CB-CE2 4.44Å; M2251-F2255 HydrophobicContact CE-CD2 4.41Å; M2251-F2255 HydrophobicContact CE-CE2 3.41Å; M2251-F2255 VanDerWaalsContact CE-CE2 3.41Å; M2251-F2255 HydrophobicContact CE-CZ 3.55Å; M2251-F2255 WeakPolarHBondContact O-CB 3.29Å; M2251-F2255 WeakPolarHBondContact O-CD2 3.22Å; M2251-F2255 WeakPolarHBondContact O-CG 3.33Å; M2251-F2255 PolarHBondContact O-N 3.12Å; M2251-F2255 HydrophobicContact SD-CD2 4.43Å; M2251-F2255 HydrophobicContact SD-CE2 3.96Å; M2251-F2255 HydrophobicContact SD-CZ 4.29Å; F2255-L2257 VanDerWaalsContact C-N 3.34Å; F2255-L2257 PolarHBondContact O-N 2.8Å; F2255-Y2258 PolarHBondContact O-N 3.25Å; F2255-V2259 VanDerWaalsContact O-CB 3.26Å; F2255-V2259 WeakPolarHBondContact O-CB 3.32Å; F2255-V2259 VanDerWaalsContact O-CG2 3.26Å; F2255-V2259 WeakPolarHBondContact O-CG2 3.14Å; F2255-V2259 PolarHBondContact O-N 2.86Å
2256S72.4Confident63.2Low44 Ų4495.2 Ų95.231%0.30847%0.47SS..Hα-helixtrans-64.5-39.3173-163.10000111.5E2252 Q2253 Y2254 R2260E2252-S2256 WeakPolarHBondContact O-CB 3.23Å; E2252-S2256 PolarHBondContact O-N 3.49Å; Q2253-S2256 PolarHBondContact O-N 3.25Å; Y2254-S2256 VanDerWaalsContact C-N 3.31Å; Y2254-S2256 PolarHBondContact O-N 3.43Å; S2256-R2260 VanDerWaalsContact O-CB 3.25Å; S2256-R2260 WeakPolarHBondContact O-CB 3.12Å; S2256-R2260 VanDerWaalsContact O-CD 3.25Å; S2256-R2260 WeakPolarHBondContact O-CD 3.14Å; S2256-R2260 WeakPolarHBondContact O-CG 3.22Å; S2256-R2260 PolarHBondContact O-N 3.21Å
2257L72.4Confident65.5Low104 Ų10494.4 Ų94.455%0.54546%0.456SS..Hα-helixtrans-66.8-44.1172-82.8160.8000111.9Q2253 Y2254 F2255 R2260 F2261Q2253-L2257 PolarHBondContact O-N 3.16Å; Y2254-L2257 CarbonylContact O-C 3.6Å; Y2254-L2257 WeakPolarHBondContact O-CB 3.48Å; Y2254-L2257 PolarHBondContact O-N 2.92Å; Y2254-L2257 VanDerWaalsContact O-N 3.13Å; F2255-L2257 VanDerWaalsContact C-N 3.34Å; F2255-L2257 PolarHBondContact O-N 2.8Å; L2257-R2260 CarbonylContact O-C 3.49Å; L2257-R2260 WeakPolarHBondContact O-CB 2.99Å; L2257-R2260 PolarHBondContact O-N 2.89Å; L2257-F2261 WeakPolarHBondContact O-CB 3.45Å; L2257-F2261 PolarHBondContact O-N 3.42Å
2258Y72.4Confident67.6Low105 Ų10595.2 Ų95.241%0.41245%0.452SS..Hα-helixtrans-67.9-43179.9-173.3-106000112.6Y2254 F2255 R2260 F2261 L2262Y2254-Y2258 WeakPolarHBondContact O-CB 3.38Å; Y2254-Y2258 PolarHBondContact O-N 3.41Å; F2255-Y2258 PolarHBondContact O-N 3.25Å; Y2258-R2260 VanDerWaalsContact C-N 3.33Å; Y2258-R2260 PolarHBondContact O-N 3.02Å; Y2258-F2261 CarbonylContact O-C 3.5Å; Y2258-F2261 WeakPolarHBondContact O-CA 3.39Å; Y2258-F2261 WeakPolarHBondContact O-CB 3.37Å; Y2258-F2261 PolarHBondContact O-N 2.84Å; Y2258-F2261 VanDerWaalsContact O-N 3.13Å; Y2258-L2262 HydrophobicContact CD1-CD1 3.94Å; Y2258-L2262 HydrophobicContact CD1-CG 4.32Å; Y2258-L2262 HydrophobicContact CE1-CD1 3.42Å; Y2258-L2262 VanDerWaalsContact CE1-CD1 3.42Å; Y2258-L2262 HydrophobicContact CE1-CG 3.96Å; Y2258-L2262 PolarHBondContact O-N 3.22Å
2259V77.3Confident69.8Low44 Ų4496.9 Ų96.927%0.26744%0.444SS..Hα-helixtrans-66.2-35.1172.7171.70000111F2255 R2263F2255-V2259 VanDerWaalsContact O-CB 3.26Å; F2255-V2259 WeakPolarHBondContact O-CB 3.32Å; F2255-V2259 VanDerWaalsContact O-CG2 3.26Å; F2255-V2259 WeakPolarHBondContact O-CG2 3.14Å; F2255-V2259 PolarHBondContact O-N 2.86Å; V2259-R2263 WeakPolarHBondContact O-CB 3.37Å; V2259-R2263 PolarHBondContact O-N 2.7Å
2260R78.3Confident71.7Confident161 Ų16195.7 Ų95.761%0.60844%0.44SS*.Hα-helixtrans-66.2-38169.7-75.7166.5-172.2171.44.7111.9S2256 L2257 Y2258 A2264S2256-R2260 VanDerWaalsContact O-CB 3.25Å; S2256-R2260 WeakPolarHBondContact O-CB 3.12Å; S2256-R2260 VanDerWaalsContact O-CD 3.25Å; S2256-R2260 WeakPolarHBondContact O-CD 3.14Å; S2256-R2260 WeakPolarHBondContact O-CG 3.22Å; S2256-R2260 PolarHBondContact O-N 3.21Å; L2257-R2260 CarbonylContact O-C 3.49Å; L2257-R2260 WeakPolarHBondContact O-CB 2.99Å; L2257-R2260 PolarHBondContact O-N 2.89Å; Y2258-R2260 VanDerWaalsContact C-N 3.33Å; Y2258-R2260 PolarHBondContact O-N 3.02Å; R2260-A2264 WeakPolarHBondContact O-CB 3.14Å; R2260-A2264 PolarHBondContact O-N 3.45Å
2261F76.7Confident73.3Confident91 Ų9197.4 Ų97.440%0.39945%0.445SS..Hα-helixtrans-65.6-51.3175.3175-93.8000111.3L2257 Y2258 R2263 A2264 Q2265L2257-F2261 WeakPolarHBondContact O-CB 3.45Å; L2257-F2261 PolarHBondContact O-N 3.42Å; Y2258-F2261 CarbonylContact O-C 3.5Å; Y2258-F2261 WeakPolarHBondContact O-CA 3.39Å; Y2258-F2261 WeakPolarHBondContact O-CB 3.37Å; Y2258-F2261 PolarHBondContact O-N 2.84Å; Y2258-F2261 VanDerWaalsContact O-N 3.13Å; F2261-R2263 VanDerWaalsContact C-N 3.34Å; F2261-R2263 PolarHBondContact O-N 3.48Å; F2261-A2264 CarbonylContact O-C 3.53Å; F2261-A2264 PolarHBondContact O-N 3.39Å; F2261-A2264 VanDerWaalsContact O-N 3.11Å; F2261-Q2265 WeakPolarHBondContact O-CB 3.4Å; F2261-Q2265 PolarHBondContact O-N 2.95Å
2262L78.1Confident74.3Confident72 Ų7296.2 Ų96.238%0.37745%0.445SS..Hα-helixtrans-60.2-41.6175.1-71.7-177.7000111.9Y2258 A2264 Q2265 S2266Y2258-L2262 HydrophobicContact CD1-CD1 3.94Å; Y2258-L2262 HydrophobicContact CD1-CG 4.32Å; Y2258-L2262 HydrophobicContact CE1-CD1 3.42Å; Y2258-L2262 VanDerWaalsContact CE1-CD1 3.42Å; Y2258-L2262 HydrophobicContact CE1-CG 3.96Å; Y2258-L2262 PolarHBondContact O-N 3.22Å; L2262-A2264 VanDerWaalsContact C-N 3.34Å; L2262-A2264 PolarHBondContact O-N 3.29Å; L2262-Q2265 PolarHBondContact O-N 2.75Å; L2262-S2266 WeakPolarHBondContact O-CB 3.47Å; L2262-S2266 PolarHBondContact O-N 2.75Å
2263R80.5Confident74.6Confident177 Ų17797.4 Ų97.467%0.66845%0.449SS*.Hα-helixtrans-64.3-38.4174.5-169.7176.8-64.4-177.5-1.4111.7V2259 F2261 Y2267V2259-R2263 WeakPolarHBondContact O-CB 3.37Å; V2259-R2263 PolarHBondContact O-N 2.7Å; F2261-R2263 VanDerWaalsContact C-N 3.34Å; F2261-R2263 PolarHBondContact O-N 3.48Å; R2263-Y2267 WeakPolarHBondContact O-CB 3.34Å; R2263-Y2267 PolarHBondContact O-N 3.32Å
2264A73.6Confident75.1Confident29 Ų2998.4 Ų98.424%0.2445%0.453CS..Hα-helixtrans-71.4-35.6174.700000112.9R2260 F2261 L2262 R2268 W2344R2260-A2264 WeakPolarHBondContact O-CB 3.14Å; R2260-A2264 PolarHBondContact O-N 3.45Å; F2261-A2264 CarbonylContact O-C 3.53Å; F2261-A2264 PolarHBondContact O-N 3.39Å; F2261-A2264 VanDerWaalsContact O-N 3.11Å; L2262-A2264 VanDerWaalsContact C-N 3.34Å; L2262-A2264 PolarHBondContact O-N 3.29Å; A2264-R2268 VanDerWaalsContact O-CB 3.22Å; A2264-R2268 WeakPolarHBondContact O-CB 3.28Å; A2264-R2268 PolarHBondContact O-N 2.84Å; A2264-W2344 HydrophobicContact CB-CH2 3.94Å; A2264-W2344 HydrophobicContact CB-CZ2 3.81Å
2265Q77.3Confident75.3Confident41 Ų4195.7 Ų95.719%0.19244%0.444CS..Hα-helixtrans-74.7-39.3177.9-167.1175.925.200111.4F2261 L2262 R2268 R2269F2261-Q2265 WeakPolarHBondContact O-CB 3.4Å; F2261-Q2265 PolarHBondContact O-N 2.95Å; L2262-Q2265 PolarHBondContact O-N 2.75Å; Q2265-R2268 PolarHBondContact O-N 3.36Å; Q2265-R2269 WeakPolarHBondContact O-CG 3.17Å; Q2265-R2269 PolarHBondContact O-N 2.91Å
2266S75.6Confident75.3Confident70 Ų7098 Ų9849%0.4946%0.455SS..Hα-helixtrans-59.9-51167.61770000110.5L2262 R2268 R2269 S2270L2262-S2266 WeakPolarHBondContact O-CB 3.47Å; L2262-S2266 PolarHBondContact O-N 2.75Å; S2266-R2268 VanDerWaalsContact C-N 3.27Å; S2266-R2268 PolarHBondContact O-N 3.44Å; S2266-R2269 CarbonylContact O-C 3.56Å; S2266-R2269 PolarHBondContact O-N 3.25Å; S2266-R2269 VanDerWaalsContact O-N 3.08Å; S2266-S2270 PolarHBondContact O-N 2.7Å; S2266-S2270 PolarHBondContact O-OG 2.86Å
2267Y76.6Confident75Confident145 Ų145103 Ų10357%0.56947%0.469SS*.Hα-helixtrans-59.9-35.1174.9-171.5-109.4000112.8R2263 L2271R2263-Y2267 WeakPolarHBondContact O-CB 3.34Å; R2263-Y2267 PolarHBondContact O-N 3.32Å; Y2267-L2271 HydrophobicContact CD1-CD1 3.8Å; Y2267-L2271 HydrophobicContact CD1-CG 4.35Å; Y2267-L2271 HydrophobicContact CE1-CD1 3.43Å; Y2267-L2271 VanDerWaalsContact CE1-CD1 3.43Å; Y2267-L2271 HydrophobicContact CE1-CG 4.08Å; Y2267-L2271 VanDerWaalsContact O-CB 3.28Å; Y2267-L2271 WeakPolarHBondContact O-CB 2.87Å; Y2267-L2271 WeakPolarHBondContact O-CG 3.41Å; Y2267-L2271 PolarHBondContact O-N 3.49Å
2268R78.1Confident74.7Confident174 Ų174103 Ų10366%0.65747%0.469SS*.Hα-helixtrans-68.9-39.3173.6-173.8177.3179.8-176.4-1.5112.3A2264 Q2265 S2266 S2272A2264-R2268 VanDerWaalsContact O-CB 3.22Å; A2264-R2268 WeakPolarHBondContact O-CB 3.28Å; A2264-R2268 PolarHBondContact O-N 2.84Å; Q2265-R2268 PolarHBondContact O-N 3.36Å; S2266-R2268 VanDerWaalsContact C-N 3.27Å; S2266-R2268 PolarHBondContact O-N 3.44Å; R2268-S2272 WeakPolarHBondContact O-CB 3.02Å; R2268-S2272 PolarHBondContact O-N 2.77Å
2269R78.9Confident74.3Confident163 Ų163100 Ų10062%0.61546%0.46SS*.Hα-helixtrans-65.6-48.1172.3-76.4-179.6177178.5-0.3110.8Q2265 S2266 L2271 S2272 F2273Q2265-R2269 WeakPolarHBondContact O-CG 3.17Å; Q2265-R2269 PolarHBondContact O-N 2.91Å; S2266-R2269 CarbonylContact O-C 3.56Å; S2266-R2269 PolarHBondContact O-N 3.25Å; S2266-R2269 VanDerWaalsContact O-N 3.08Å; R2269-L2271 PolarHBondContact O-N 3.32Å; R2269-S2272 CarbonylContact O-C 3.54Å; R2269-S2272 WeakPolarHBondContact O-CA 3.44Å; R2269-S2272 VanDerWaalsContact O-CB 3.28Å; R2269-S2272 WeakPolarHBondContact O-CB 3.48Å; R2269-S2272 PolarHBondContact O-N 3.23Å; R2269-F2273 WeakPolarHBondContact O-CD2 3.08Å; R2269-F2273 PolarHBondContact O-N 2.83Å
2270S75.2Confident73.7Confident57 Ų57103.9 Ų103.940%0.39948%0.478SS..Hα-helixtrans-64-37177.2-59.50000113S2266 S2272 F2273 Q2274S2266-S2270 PolarHBondContact O-N 2.7Å; S2266-S2270 PolarHBondContact O-OG 2.86Å; S2270-S2272 VanDerWaalsContact C-N 3.33Å; S2270-F2273 PolarHBondContact O-N 3.35Å; S2270-Q2274 WeakPolarHBondContact O-CB 3.1Å; S2270-Q2274 WeakPolarHBondContact O-CG 3.41Å; S2270-Q2274 PolarHBondContact O-N 3.49Å
2271L75.8Confident73Confident75 Ų75101.7 Ų101.739%0.39348%0.478SS..Hα-helixtrans-66.7-33.6169.2-80.6177.6000112.4Y2267 R2269 K2275Y2267-L2271 HydrophobicContact CD1-CD1 3.8Å; Y2267-L2271 HydrophobicContact CD1-CG 4.35Å; Y2267-L2271 HydrophobicContact CE1-CD1 3.43Å; Y2267-L2271 VanDerWaalsContact CE1-CD1 3.43Å; Y2267-L2271 HydrophobicContact CE1-CG 4.08Å; Y2267-L2271 VanDerWaalsContact O-CB 3.28Å; Y2267-L2271 WeakPolarHBondContact O-CB 2.87Å; Y2267-L2271 WeakPolarHBondContact O-CG 3.41Å; Y2267-L2271 PolarHBondContact O-N 3.49Å; R2269-L2271 PolarHBondContact O-N 3.32Å; L2271-K2275 VanDerWaalsContact O-CB 3.25Å; L2271-K2275 WeakPolarHBondContact O-CB 3.32Å; L2271-K2275 PolarHBondContact O-N 2.83Å
2272S74.2Confident72.2Confident61 Ų61100.8 Ų100.843%0.42748%0.477SS..Hα-helixtrans-67.4-45.5173.8-155.60000111R2268 R2269 S2270 K2275 H2276R2268-S2272 WeakPolarHBondContact O-CB 3.02Å; R2268-S2272 PolarHBondContact O-N 2.77Å; R2269-S2272 CarbonylContact O-C 3.54Å; R2269-S2272 WeakPolarHBondContact O-CA 3.44Å; R2269-S2272 VanDerWaalsContact O-CB 3.28Å; R2269-S2272 WeakPolarHBondContact O-CB 3.48Å; R2269-S2272 PolarHBondContact O-N 3.23Å; S2270-S2272 VanDerWaalsContact C-N 3.33Å; S2272-K2275 WeakPolarHBondContact O-CB 3.46Å; S2272-K2275 PolarHBondContact O-N 2.77Å; S2272-H2276 WeakPolarHBondContact O-CB 3.4Å; S2272-H2276 PolarHBondContact O-N 2.83Å
2273F73.8Confident70.4Confident159 Ų159100.1 Ų100.170%0.69749%0.487SS*.Hα-helixtrans-62-45.2172.8-86.1-73000112R2269 S2270 K2275 H2276 Y2277R2269-F2273 WeakPolarHBondContact O-CD2 3.08Å; R2269-F2273 PolarHBondContact O-N 2.83Å; S2270-F2273 PolarHBondContact O-N 3.35Å; F2273-K2275 VanDerWaalsContact C-N 3.32Å; F2273-K2275 PolarHBondContact O-N 2.61Å; F2273-H2276 PolarHBondContact O-N 2.76Å; F2273-Y2277 WeakPolarHBondContact O-CB 3.25Å; F2273-Y2277 PolarHBondContact O-N 3.22Å
2274Q75.2Confident68.6Low122 Ų12297.8 Ų97.857%0.5749%0.488SS*.Hα-helixtrans-62.8-36.6174.7-77.3-178.3-13.300112.3S2270 L2278S2270-Q2274 WeakPolarHBondContact O-CB 3.1Å; S2270-Q2274 WeakPolarHBondContact O-CG 3.41Å; S2270-Q2274 PolarHBondContact O-N 3.49Å; Q2274-L2278 WeakPolarHBondContact O-CB 3.46Å; Q2274-L2278 PolarHBondContact O-N 3.07Å
2275K72.7Confident67.1Low80 Ų80101.7 Ų101.735%0.34850%0.499SS..Hα-helixtrans-63.6-49171.6171.9-174.1172.4-109.80111L2271 S2272 F2273 Y2277 L2278 L2279 E2289L2271-K2275 VanDerWaalsContact O-CB 3.25Å; L2271-K2275 WeakPolarHBondContact O-CB 3.32Å; L2271-K2275 PolarHBondContact O-N 2.83Å; S2272-K2275 WeakPolarHBondContact O-CB 3.46Å; S2272-K2275 PolarHBondContact O-N 2.77Å; F2273-K2275 VanDerWaalsContact C-N 3.32Å; F2273-K2275 PolarHBondContact O-N 2.61Å; K2275-Y2277 VanDerWaalsContact C-N 3.34Å; K2275-L2278 PolarHBondContact O-N 2.94Å; K2275-L2279 HydrophobicContact CG-CD1 4.11Å; K2275-L2279 VanDerWaalsContact O-CG 3.29Å; K2275-L2279 WeakPolarHBondContact O-CG 3.15Å; K2275-L2279 PolarHBondContact O-N 3.26Å; K2275-E2289 IonicContact NZ-OE1 3.79Å; K2275-E2289 PolarHBondContact NZ-OE1 2.99Å
2276H65.8Low65.9Low83 Ų83107.8 Ų107.838%0.38453%0.528SS..Hα-helixtrans-63.8-41.7-179.1-134.990.4000110.9S2272 F2273 L2279 L2280 E2289S2272-H2276 WeakPolarHBondContact O-CB 3.4Å; S2272-H2276 PolarHBondContact O-N 2.83Å; F2273-H2276 PolarHBondContact O-N 2.76Å; H2276-L2279 WeakPolarHBondContact O-CB 3.48Å; H2276-L2279 PolarHBondContact O-N 3.35Å; H2276-L2280 PolarHBondContact O-N 3.39Å; H2276-E2289 IonicContact CE1-OE1 3.88Å; H2276-E2289 IonicContact CE1-OE2 3.09Å; H2276-E2289 PolarHBondContact CE1-OE2 3.09Å; H2276-E2289 IonicContact ND1-OE1 3.15Å; H2276-E2289 PolarHBondContact ND1-OE1 2.88Å; H2276-E2289 IonicContact ND1-OE2 2.68Å; H2276-E2289 PolarHBondContact ND1-OE2 2.75Å
2277Y65.8Low64.4Low150 Ų150111.3 Ų111.359%0.58853%0.532SS*.Hα-helixtrans-67.3-37.4174.7-169.7-115.7000112.6F2273 K2275 L2280 L2281F2273-Y2277 WeakPolarHBondContact O-CB 3.25Å; F2273-Y2277 PolarHBondContact O-N 3.22Å; K2275-Y2277 VanDerWaalsContact C-N 3.34Å; Y2277-L2280 PolarHBondContact O-N 2.96Å; Y2277-L2281 HydrophobicContact CD1-CD1 3.72Å; Y2277-L2281 HydrophobicContact CD1-CG 4.44Å; Y2277-L2281 HydrophobicContact CE1-CD1 3.4Å; Y2277-L2281 VanDerWaalsContact CE1-CD1 3.4Å; Y2277-L2281 HydrophobicContact CE1-CG 4.2Å; Y2277-L2281 HydrophobicContact CE2-CG 4.49Å; Y2277-L2281 HydrophobicContact CG-CD1 4.41Å; Y2277-L2281 VanDerWaalsContact O-CB 3.31Å; Y2277-L2281 WeakPolarHBondContact O-CB 3.09Å; Y2277-L2281 WeakPolarHBondContact O-CG 3.21Å; Y2277-L2281 PolarHBondContact O-N 2.68Å
2278L67.3Low63Low105 Ų105107.6 Ų107.655%0.5553%0.531SS..Hα-helixtrans-65.3-37.8169.5-111.178.1000112.2Q2274 K2275 L2281 L2282Q2274-L2278 WeakPolarHBondContact O-CB 3.46Å; Q2274-L2278 PolarHBondContact O-N 3.07Å; K2275-L2278 PolarHBondContact O-N 2.94Å; L2278-L2281 PolarHBondContact O-N 2.95Å; L2278-L2282 VanDerWaalsContact O-CB 3.28Å; L2278-L2282 WeakPolarHBondContact O-CB 3.45Å; L2278-L2282 WeakPolarHBondContact O-CD1 3.25Å; L2278-L2282 WeakPolarHBondContact O-CG 3.32Å; L2278-L2282 PolarHBondContact O-N 2.83Å
2279L63.2Low61.4Low42 Ų42102.8 Ų102.822%0.2252%0.516CS..Hα-helixtrans-66.5-41.4177.2-73.4172.4000111.3K2275 H2276 L2282 V2292K2275-L2279 HydrophobicContact CG-CD1 4.11Å; K2275-L2279 VanDerWaalsContact O-CG 3.29Å; K2275-L2279 WeakPolarHBondContact O-CG 3.15Å; K2275-L2279 PolarHBondContact O-N 3.26Å; H2276-L2279 WeakPolarHBondContact O-CB 3.48Å; H2276-L2279 PolarHBondContact O-N 3.35Å; L2279-L2282 PolarHBondContact O-N 2.8Å; L2279-V2292 HydrophobicContact CD2-CG1 3.78Å
2280L65.8Low60.3Low125 Ų125101.4 Ų101.465%0.65452%0.521SS*.Hα-helixtrans-61.1-52170.4-78.7157.3000111.8H2276 Y2277 L2282 G2283H2276-L2280 PolarHBondContact O-N 3.39Å; Y2277-L2280 PolarHBondContact O-N 2.96Å; L2280-L2282 VanDerWaalsContact C-N 3.26Å; L2280-L2282 PolarHBondContact O-N 3.41Å; L2280-G2283 WeakPolarHBondContact O-CA 3.32Å; L2280-G2283 PolarHBondContact O-N 3.44Å
2281L62.1Low59.3Low115 Ų115101.6 Ų101.660%0.60252%0.52SS*.Hα-helixtrans-65-24.3178.6-78.1174.9000114.1Y2277 L2278 G2283Y2277-L2281 HydrophobicContact CD1-CD1 3.72Å; Y2277-L2281 HydrophobicContact CD1-CG 4.44Å; Y2277-L2281 HydrophobicContact CE1-CD1 3.4Å; Y2277-L2281 VanDerWaalsContact CE1-CD1 3.4Å; Y2277-L2281 HydrophobicContact CE1-CG 4.2Å; Y2277-L2281 HydrophobicContact CE2-CG 4.49Å; Y2277-L2281 HydrophobicContact CG-CD1 4.41Å; Y2277-L2281 VanDerWaalsContact O-CB 3.31Å; Y2277-L2281 WeakPolarHBondContact O-CB 3.09Å; Y2277-L2281 WeakPolarHBondContact O-CG 3.21Å; Y2277-L2281 PolarHBondContact O-N 2.68Å; L2278-L2281 PolarHBondContact O-N 2.95Å; L2281-G2283 PolarHBondContact O-N 2.89Å
2282L60.9Low58.1Low72 Ų7298.6 Ų98.638%0.37751%0.505SS..THydrogen-bonded Turntrans-71.3-14.5173.1-78.9165.2000112.3L2278 L2279 L2280 N2284 F2285L2278-L2282 VanDerWaalsContact O-CB 3.28Å; L2278-L2282 WeakPolarHBondContact O-CB 3.45Å; L2278-L2282 WeakPolarHBondContact O-CD1 3.25Å; L2278-L2282 WeakPolarHBondContact O-CG 3.32Å; L2278-L2282 PolarHBondContact O-N 2.83Å; L2279-L2282 PolarHBondContact O-N 2.8Å; L2280-L2282 VanDerWaalsContact C-N 3.26Å; L2280-L2282 PolarHBondContact O-N 3.41Å; L2282-N2284 PolarHBondContact O-N 2.87Å; L2282-N2284 PolarHBondContact O-ND2 3.34Å; L2282-F2285 HydrophobicContact CB-CD2 4.23Å
2283G39.7Very low57.1Low57 Ų5798.9 Ų98.959%0.58850%0.503SS*.  trans64.3-8.2149.200000118.7L2280 L2281L2280-G2283 WeakPolarHBondContact O-CA 3.32Å; L2280-G2283 PolarHBondContact O-N 3.44Å; L2281-G2283 PolarHBondContact O-N 2.89Å
2284N42Very low56.1Low128 Ų12893.5 Ų93.568%0.68449%0.489SS*.  trans-138.917.6-170.5-66-92.3000112.1L2282L2282-N2284 PolarHBondContact O-N 2.87Å; L2282-N2284 PolarHBondContact O-ND2 3.34Å
2285F43Very low55.1Low111 Ų11192.1 Ų92.149%0.48748%0.484SS..  trans-105.789.5177.6-80.5-85.2000109.9L2282 Y2287L2282-F2285 HydrophobicContact CB-CD2 4.23Å; F2285-Y2287 PolarHBondContact O-N 2.73Å
2286Q52.6Low54.1Low170 Ų17091.8 Ų91.879%0.79449%0.486SS*.  trans-75.344.9-170.2-157.7172.111.900113.4
2287Y42.6Very low53Low143 Ų14390.4 Ų90.456%0.56149%0.493SS*.SBendtrans-143.3138.6-171.2-71.3-68.4000110.4F2285 V2291 V2292 I2295F2285-Y2287 PolarHBondContact O-N 2.73Å; Y2287-V2291 HydrophobicContact CD1-CB 4.31Å; Y2287-V2291 HydrophobicContact CD1-CG1 3.49Å; Y2287-V2291 VanDerWaalsContact CD1-CG1 3.49Å; Y2287-V2291 HydrophobicContact CE1-CG1 4.25Å; Y2287-V2291 HydrophobicContact CG-CG1 3.93Å; Y2287-V2292 VanDerWaalsContact O-CG2 3.26Å; Y2287-V2292 WeakPolarHBondContact O-CG2 3.35Å; Y2287-I2295 HydrophobicContact CD1-CD1 4.43Å; Y2287-I2295 HydrophobicContact CD2-CD1 3.79Å; Y2287-I2295 HydrophobicContact CE2-CD1 4.05Å; Y2287-I2295 HydrophobicContact CG-CD1 4Å
2288A48.2Very low51.7Low68 Ų6887.6 Ų87.656%0.56250%0.495SS*.  trans-60.1158.7177.900000112.2N2290 V2291 V2292A2288-N2290 PolarHBondContact O-N 2.67Å; A2288-N2290 VanDerWaalsContact O-N 3.11Å; A2288-V2291 CarbonylContact O-C 3.56Å; A2288-V2291 WeakPolarHBondContact O-CA 3.26Å; A2288-V2291 PolarHBondContact O-N 2.72Å; A2288-V2292 PolarHBondContact O-N 2.67Å
2289E45.5Very low50.4Low72 Ų7288.2 Ų88.234%0.33651%0.505SS..Hα-helixtrans-53.9-39.5-178-178.2170-139.400112.2K2275 H2276 V2291 V2292 V2293K2275-E2289 IonicContact NZ-OE1 3.79Å; K2275-E2289 PolarHBondContact NZ-OE1 2.99Å; H2276-E2289 IonicContact CE1-OE1 3.88Å; H2276-E2289 IonicContact CE1-OE2 3.09Å; H2276-E2289 PolarHBondContact CE1-OE2 3.09Å; H2276-E2289 IonicContact ND1-OE1 3.15Å; H2276-E2289 PolarHBondContact ND1-OE1 2.88Å; H2276-E2289 IonicContact ND1-OE2 2.68Å; H2276-E2289 PolarHBondContact ND1-OE2 2.75Å; E2289-V2291 VanDerWaalsContact C-N 3.32Å; E2289-V2291 PolarHBondContact O-N 2.75Å; E2289-V2292 PolarHBondContact O-N 2.77Å; E2289-V2293 HydrophobicContact CG-CG2 3.95Å; E2289-V2293 WeakPolarHBondContact O-CB 3.49Å; E2289-V2293 WeakPolarHBondContact O-CG2 3.49Å; E2289-V2293 PolarHBondContact O-N 3.2Å
2290N54.2Low48.9Very low134 Ų13495.9 Ų95.972%0.71754%0.54SS*.Hα-helixtrans-62.1-36.3175.4-70.3-25.8000113.2A2288 A2294A2288-N2290 PolarHBondContact O-N 2.67Å; A2288-N2290 VanDerWaalsContact O-N 3.11Å; N2290-A2294 WeakPolarHBondContact O-CB 3.32Å; N2290-A2294 PolarHBondContact O-N 2.71Å
2291V55.9Low47.2Very low62 Ų6295 Ų9538%0.37654%0.544SS..Hα-helixtrans-81-34.5179.4-176.40000111Y2287 A2288 E2289 A2294 I2295Y2287-V2291 HydrophobicContact CD1-CB 4.31Å; Y2287-V2291 HydrophobicContact CD1-CG1 3.49Å; Y2287-V2291 VanDerWaalsContact CD1-CG1 3.49Å; Y2287-V2291 HydrophobicContact CE1-CG1 4.25Å; Y2287-V2291 HydrophobicContact CG-CG1 3.93Å; A2288-V2291 CarbonylContact O-C 3.56Å; A2288-V2291 WeakPolarHBondContact O-CA 3.26Å; A2288-V2291 PolarHBondContact O-N 2.72Å; E2289-V2291 VanDerWaalsContact C-N 3.32Å; E2289-V2291 PolarHBondContact O-N 2.75Å; V2291-A2294 PolarHBondContact O-N 2.96Å; V2291-I2295 HydrophobicContact CG1-CD1 3.99Å; V2291-I2295 WeakPolarHBondContact O-CB 3.22Å; V2291-I2295 VanDerWaalsContact O-CG1 3.23Å; V2291-I2295 WeakPolarHBondContact O-CG1 3.36Å; V2291-I2295 PolarHBondContact O-N 3.42Å
2292V49.5Very low45.8Very low12 Ų12100.4 Ų100.47%0.07356%0.557CS.*Hα-helixtrans-68.5-37.5170.1176.50000111L2279 Y2287 A2288 E2289 A2294 I2295 L2296L2279-V2292 HydrophobicContact CD2-CG1 3.78Å; Y2287-V2292 VanDerWaalsContact O-CG2 3.26Å; Y2287-V2292 WeakPolarHBondContact O-CG2 3.35Å; A2288-V2292 PolarHBondContact O-N 2.67Å; E2289-V2292 PolarHBondContact O-N 2.77Å; V2292-A2294 VanDerWaalsContact C-N 3.33Å; V2292-I2295 PolarHBondContact O-N 2.8Å; V2292-L2296 HydrophobicContact CG1-CD1 3.65Å; V2292-L2296 HydrophobicContact CG1-CG 4.16Å; V2292-L2296 VanDerWaalsContact O-CB 3.25Å; V2292-L2296 WeakPolarHBondContact O-CB 3.47Å; V2292-L2296 WeakPolarHBondContact O-CG 3.16Å; V2292-L2296 PolarHBondContact O-N 3.32Å
2293V52.6Low44.4Very low66 Ų66104.1 Ų104.140%0.458%0.582SS.*Hα-helixtrans-70-29.5172.2169.10000111.4E2289 G2297E2289-V2293 HydrophobicContact CG-CG2 3.95Å; E2289-V2293 WeakPolarHBondContact O-CB 3.49Å; E2289-V2293 WeakPolarHBondContact O-CG2 3.49Å; E2289-V2293 PolarHBondContact O-N 3.2Å; V2293-G2297 WeakPolarHBondContact O-CA 3.48Å; V2293-G2297 PolarHBondContact O-N 3.42Å
2294A52.6Low44Very low47 Ų47107.3 Ų107.339%0.38859%0.59SS.*Hα-helixtrans-69.5-45.7167.900000111.7N2290 V2291 V2292 L2296 G2297 C2298N2290-A2294 WeakPolarHBondContact O-CB 3.32Å; N2290-A2294 PolarHBondContact O-N 2.71Å; V2291-A2294 PolarHBondContact O-N 2.96Å; V2292-A2294 VanDerWaalsContact C-N 3.33Å; A2294-L2296 PolarHBondContact O-N 3.45Å; A2294-G2297 CarbonylContact O-C 3.57Å; A2294-G2297 PolarHBondContact O-N 2.69Å; A2294-G2297 VanDerWaalsContact O-N 3.16Å; A2294-C2298 WeakPolarHBondContact O-CB 3.31Å; A2294-C2298 PolarHBondContact O-N 3.21Å; A2294-C2298 PolarHBondContact O-SG 2.92Å; A2294-C2298 VanDerWaalsContact O-SG 3.35Å
2295I54.8Low43.4Very low92 Ų92105.6 Ų105.647%0.47259%0.588SS.*Hα-helixtrans-65.3-37.2178.3-70.1163.8000111.8Y2287 V2291 V2292Y2287-I2295 HydrophobicContact CD1-CD1 4.43Å; Y2287-I2295 HydrophobicContact CD2-CD1 3.79Å; Y2287-I2295 HydrophobicContact CE2-CD1 4.05Å; Y2287-I2295 HydrophobicContact CG-CD1 4Å; V2291-I2295 HydrophobicContact CG1-CD1 3.99Å; V2291-I2295 WeakPolarHBondContact O-CB 3.22Å; V2291-I2295 VanDerWaalsContact O-CG1 3.23Å; V2291-I2295 WeakPolarHBondContact O-CG1 3.36Å; V2291-I2295 PolarHBondContact O-N 3.42Å; V2292-I2295 PolarHBondContact O-N 2.8Å
2296L51Low42.7Very low74 Ų74108.7 Ų108.739%0.38760%0.604SS.*Hα-helixtrans-81.4-18.9173.8-64.1170.7000113.2V2292 A2294 V2330V2292-L2296 HydrophobicContact CG1-CD1 3.65Å; V2292-L2296 HydrophobicContact CG1-CG 4.16Å; V2292-L2296 VanDerWaalsContact O-CB 3.25Å; V2292-L2296 WeakPolarHBondContact O-CB 3.47Å; V2292-L2296 WeakPolarHBondContact O-CG 3.16Å; V2292-L2296 PolarHBondContact O-N 3.32Å; A2294-L2296 PolarHBondContact O-N 3.45Å; L2296-V2330 HydrophobicContact CD2-CB 4.47Å; L2296-V2330 HydrophobicContact CD2-CG1 3.75Å; L2296-V2330 HydrophobicContact CD2-CG2 3.88Å
2297G44.2Very low41.7Very low53 Ų53105.9 Ų105.955%0.54660%0.599SS.*Hα-helixtrans-101.8-9.9-175.800000114.7V2293 A2294 P2299V2293-G2297 WeakPolarHBondContact O-CA 3.48Å; V2293-G2297 PolarHBondContact O-N 3.42Å; A2294-G2297 CarbonylContact O-C 3.57Å; A2294-G2297 PolarHBondContact O-N 2.69Å; A2294-G2297 VanDerWaalsContact O-N 3.16Å; G2297-P2299 VanDerWaalsContact C-CD 3.49Å; G2297-P2299 WeakPolarHBondContact O-CD 3.29Å
2298C38.9Very low41.2Very low91 Ų91106.1 Ų106.162%0.61561%0.61SS**  trans-93.389.4169.7-78.60000110.1A2294 E2300A2294-C2298 WeakPolarHBondContact O-CB 3.31Å; A2294-C2298 PolarHBondContact O-N 3.21Å; A2294-C2298 PolarHBondContact O-SG 2.92Å; A2294-C2298 VanDerWaalsContact O-SG 3.35Å; C2298-E2300 PolarHBondContact O-N 2.85Å
2299P38.2Very low40.5Very low119 Ų119107.1 Ų107.177%0.77361%0.612SS**  trans-63.3135.1165.929-35.1000109.7G2297 S2301G2297-P2299 VanDerWaalsContact C-CD 3.49Å; G2297-P2299 WeakPolarHBondContact O-CD 3.29Å; P2299-S2301 PolarHBondContact O-N 2.81Å
2300E32.8Very low39.9Very low202 Ų202112.4 Ų112.494%0.94463%0.634SS**SBendtrans-62.7103.4-175.4-66.2165.6102.800112.5C2298C2298-E2300 PolarHBondContact O-N 2.85Å
2301S30.3Very low39.1Very low107 Ų107113.4 Ų113.475%0.74864%0.64SS**  trans-162.683.8159.5-1570000114.2P2299P2299-S2301 PolarHBondContact O-N 2.81Å
2302R32.7Very low38Very low229 Ų229122.1 Ų122.186%0.86467%0.666SS**  trans167.573.4141.2-91.9166.6-165.8-144.13.6111.4
2303V31.7Very low37.2Very low149 Ų149126.9 Ų126.990%0.90370%0.7SS**  trans-99.3104.9163.7176.70000108.8
2304T30.1Very low36.4Very low125 Ų125128.8 Ų128.877%0.76772%0.716SS**  trans-152.9126.6168.449.50000106.9
2305S29.5Very low35.5Very low92 Ų92133.6 Ų133.664%0.64373%0.731SS**  cis-168139.77.448.10000112
2306Q28.1Very low34.7Very low176 Ų176135.3 Ų135.382%0.82275%0.745SS**  trans62.7148.4149.4-66.7170.6-81.800118.4
2307T32.8Very low33.9Very low110 Ų110137.7 Ų137.768%0.67576%0.758SS**  cis-154.7148.55.8-3.40000111.2
2308D31.1Very low34Very low149 Ų149138.7 Ų138.780%0.79775%0.751SS**  trans28.9147.6143.9-86.7-68.8000123.8
2309S33.4Very low34.6Very low88 Ų88136.7 Ų136.762%0.61574%0.738SS**  cis-160160.616.452.60000114.1
2310K34.3Very low35.5Very low183 Ų183136.2 Ų136.280%0.79674%0.735SS**  trans52.1137.6151.3-69.1168.2-172.6168.60119.6
2311D37.3Very low36.8Very low156 Ų156132.5 Ų132.583%0.83472%0.721SS**  cis-138.4-177.113.9-94.2-44.1000112.9
2312R31.6Very low38.3Very low244 Ų244135.5 Ų135.592%0.92172%0.716SS**  trans-126148-173.5-70.4175.3166.4179.9-3.5114.3
2313S32.5Very low39.6Very low112 Ų112131.9 Ų131.978%0.78370%0.702SS**  trans-165.9163.9137.753.50000113.2
2314S36.9Very low41.2Very low107 Ų107132 Ų13275%0.74869%0.69SS**  trans42.896.1167.854.70000118.3
2315Q34.1Very low43.2Very low148 Ų148135 Ų13569%0.69269%0.688SS**  cis93.886.515.3-159.8-1781.900117.2N2317Q2315-N2317 WeakPolarHBondContact CG-OD1 3.4Å; Q2315-N2317 VanDerWaalsContact NE2-CG 3.33Å; Q2315-N2317 PolarHBondContact NE2-ND2 3.45Å; Q2315-N2317 PolarHBondContact NE2-OD1 2.89Å
2316V37.4Very low44.7Very low128 Ų128132.9 Ų132.978%0.77667%0.671SS**  trans-93.6111.9158.4178.60000109.7L2318V2316-L2318 PolarHBondContact O-N 2.94Å
2317N33.9Very low46.7Very low123 Ų123129.5 Ų129.566%0.65866%0.658SS**  trans-83.367.6-170-83.3-42.7000114.7Q2315 S2319Q2315-N2317 WeakPolarHBondContact CG-OD1 3.4Å; Q2315-N2317 VanDerWaalsContact NE2-CG 3.33Å; Q2315-N2317 PolarHBondContact NE2-ND2 3.45Å; Q2315-N2317 PolarHBondContact NE2-OD1 2.89Å; N2317-S2319 PolarHBondContact O-N 3.17Å; N2317-S2319 VanDerWaalsContact O-N 3.08Å
2318L45.9Very low48.8Very low74 Ų74126 Ų12639%0.38764%0.643SS.*  trans-67.4103.1157.9-81.8165.2000109.4V2316 R2323V2316-L2318 PolarHBondContact O-N 2.94Å; L2318-R2323 PolarHBondContact O-NE 3.36Å; L2318-R2323 VanDerWaalsContact O-NE 3.07Å
2319S52Low50.7Low49 Ų49127.8 Ų127.834%0.34364%0.639SS.*  trans-56.5150.7-167.176.30000113.7N2317 L2321 R2322 R2323N2317-S2319 PolarHBondContact O-N 3.17Å; N2317-S2319 VanDerWaalsContact O-N 3.08Å; S2319-L2321 PolarHBondContact O-N 2.81Å; S2319-L2321 VanDerWaalsContact O-N 3.15Å; S2319-R2322 PolarHBondContact O-N 3.45Å; S2319-R2322 PolarHBondContact OG-N 2.92Å; S2319-R2323 PolarHBondContact O-N 3.16Å
2320P56.2Low52.3Low110 Ų110125.7 Ų125.771%0.71462%0.622SS**Hα-helixtrans-54.1-35.2176-27.235.6000112.7R2323 F2324P2320-R2323 PolarHBondContact O-N 2.76Å; P2320-F2324 VanDerWaalsContact O-CB 3.24Å; P2320-F2324 WeakPolarHBondContact O-CB 3.16Å; P2320-F2324 PolarHBondContact O-N 2.73Å
2321L60.5Low54.2Low123 Ų123121.1 Ų121.164%0.64461%0.61SS**Hα-helixtrans-67.8-36.6174.6-78.2167.1000113.5S2319 R2325S2319-L2321 PolarHBondContact O-N 2.81Å; S2319-L2321 VanDerWaalsContact O-N 3.15Å; L2321-R2325 VanDerWaalsContact O-CB 3.26Å; L2321-R2325 WeakPolarHBondContact O-CB 3.29Å; L2321-R2325 VanDerWaalsContact O-CG 3.31Å; L2321-R2325 WeakPolarHBondContact O-CG 3.47Å; L2321-R2325 PolarHBondContact O-N 3.01Å
2322R62.5Low55.9Low171 Ų171118.9 Ų118.965%0.64559%0.594SS**Hα-helixtrans-67.5-42.3171.7-82.7-170176.7-173.10.4111.4S2319 T2326S2319-R2322 PolarHBondContact O-N 3.45Å; S2319-R2322 PolarHBondContact OG-N 2.92Å; R2322-T2326 WeakPolarHBondContact O-CB 3.41Å; R2322-T2326 PolarHBondContact O-N 3.47Å; R2322-T2326 PolarHBondContact O-OG1 3.48Å
2323R59.5Low57.8Low152 Ų152111.1 Ų111.157%0.57457%0.574SS**Hα-helixtrans-60.4-49.7174.5-62.6-176.8-172.4-141.9-3.4110.9L2318 S2319 P2320 T2326 I2327L2318-R2323 PolarHBondContact O-NE 3.36Å; L2318-R2323 VanDerWaalsContact O-NE 3.07Å; S2319-R2323 PolarHBondContact O-N 3.16Å; P2320-R2323 PolarHBondContact O-N 2.76Å; R2323-T2326 PolarHBondContact O-N 2.75Å; R2323-I2327 WeakPolarHBondContact O-CB 3.15Å; R2323-I2327 VanDerWaalsContact O-CG1 3.3Å; R2323-I2327 WeakPolarHBondContact O-CG1 3.41Å; R2323-I2327 PolarHBondContact O-N 3.4Å
2324F66.3Low59.6Low151 Ų151109.6 Ų109.666%0.66256%0.556SS**Hα-helixtrans-64.9-40.3178.9-169.4-95.2000113.2P2320 T2326 G2328P2320-F2324 VanDerWaalsContact O-CB 3.24Å; P2320-F2324 WeakPolarHBondContact O-CB 3.16Å; P2320-F2324 PolarHBondContact O-N 2.73Å; F2324-T2326 VanDerWaalsContact C-N 3.34Å; F2324-T2326 PolarHBondContact O-N 3.23Å; F2324-G2328 PolarHBondContact O-N 3.46Å
2325R71.2Confident61.6Low188 Ų188110.7 Ų110.771%0.70955%0.549SS*.Hα-helixtrans-64.2-36.9172.9-78.7-179.6172.7-173.3-2.1112L2321 R2329L2321-R2325 VanDerWaalsContact O-CB 3.26Å; L2321-R2325 WeakPolarHBondContact O-CB 3.29Å; L2321-R2325 VanDerWaalsContact O-CG 3.31Å; L2321-R2325 WeakPolarHBondContact O-CG 3.47Å; L2321-R2325 PolarHBondContact O-N 3.01Å; R2325-R2329 WeakPolarHBondContact O-CG 3.22Å; R2325-R2329 PolarHBondContact O-N 2.87Å
2326T61.9Low63.4Low49 Ų49111.4 Ų111.430%0.30155%0.545SS..Hα-helixtrans-69.4-48.8176.8-54.10000111.1R2322 R2323 F2324 G2328 R2329 V2330R2322-T2326 WeakPolarHBondContact O-CB 3.41Å; R2322-T2326 PolarHBondContact O-N 3.47Å; R2322-T2326 PolarHBondContact O-OG1 3.48Å; R2323-T2326 PolarHBondContact O-N 2.75Å; F2324-T2326 VanDerWaalsContact C-N 3.34Å; F2324-T2326 PolarHBondContact O-N 3.23Å; T2326-G2328 VanDerWaalsContact C-N 3.33Å; T2326-G2328 PolarHBondContact O-N 3.45Å; T2326-R2329 PolarHBondContact O-N 2.77Å; T2326-V2330 WeakPolarHBondContact O-CG2 3.39Å; T2326-V2330 PolarHBondContact O-N 3.06Å
2327I69.3Low64.8Low105 Ų105110.9 Ų110.954%0.53854%0.536SS..Hα-helixtrans-58.3-44.7174-67.7163.9000110.5R2323 R2329 V2330 V2331R2323-I2327 WeakPolarHBondContact O-CB 3.15Å; R2323-I2327 VanDerWaalsContact O-CG1 3.3Å; R2323-I2327 WeakPolarHBondContact O-CG1 3.41Å; R2323-I2327 PolarHBondContact O-N 3.4Å; I2327-R2329 PolarHBondContact O-N 3.44Å; I2327-V2330 WeakPolarHBondContact O-CB 3.47Å; I2327-V2330 PolarHBondContact O-N 2.94Å; I2327-V2331 HydrophobicContact CG2-CG2 4.28Å; I2327-V2331 WeakPolarHBondContact O-CB 3.49Å; I2327-V2331 WeakPolarHBondContact O-CG2 3.13Å; I2327-V2331 PolarHBondContact O-N 2.71Å
2328G76.8Confident66.8Low36 Ų36111.8 Ų111.837%0.37153%0.534SS..Hα-helixtrans-59.7-44176.600000113.1F2324 T2326 V2331 Q2332F2324-G2328 PolarHBondContact O-N 3.46Å; T2326-G2328 VanDerWaalsContact C-N 3.33Å; T2326-G2328 PolarHBondContact O-N 3.45Å; G2328-V2331 PolarHBondContact O-N 2.81Å; G2328-Q2332 VanDerWaalsContact O-CB 3.29Å; G2328-Q2332 WeakPolarHBondContact O-CB 3.29Å; G2328-Q2332 PolarHBondContact O-N 3.28Å
2329R72.4Confident68.1Low187 Ų187113.7 Ų113.771%0.70654%0.541SS*.Hα-helixtrans-65-42.6173.9-76.2-180174.4-173.9-2.3111.9R2325 T2326 I2327 Q2332 V2333R2325-R2329 WeakPolarHBondContact O-CG 3.22Å; R2325-R2329 PolarHBondContact O-N 2.87Å; T2326-R2329 PolarHBondContact O-N 2.77Å; I2327-R2329 PolarHBondContact O-N 3.44Å; R2329-Q2332 PolarHBondContact O-N 2.87Å; R2329-V2333 WeakPolarHBondContact O-CG2 3.28Å; R2329-V2333 PolarHBondContact O-N 3.13Å
2330V66.3Low69.1Low43 Ų43115.5 Ų115.526%0.26155%0.546SS..Hα-helixtrans-58.4-50.6174163.70000111.2L2296 T2326 I2327 Q2332 V2333 I2334L2296-V2330 HydrophobicContact CD2-CB 4.47Å; L2296-V2330 HydrophobicContact CD2-CG1 3.75Å; L2296-V2330 HydrophobicContact CD2-CG2 3.88Å; T2326-V2330 WeakPolarHBondContact O-CG2 3.39Å; T2326-V2330 PolarHBondContact O-N 3.06Å; I2327-V2330 WeakPolarHBondContact O-CB 3.47Å; I2327-V2330 PolarHBondContact O-N 2.94Å; V2330-Q2332 VanDerWaalsContact C-N 3.31Å; V2330-Q2332 PolarHBondContact O-N 3.41Å; V2330-V2333 PolarHBondContact O-N 3.23Å; V2330-I2334 HydrophobicContact CG1-CD1 3.71Å; V2330-I2334 HydrophobicContact CG1-CG1 4.45Å; V2330-I2334 WeakPolarHBondContact O-CG1 3.41Å; V2330-I2334 PolarHBondContact O-N 3.43Å
2331V73.6Confident69.7Low88 Ų88113.7 Ų113.753%0.53353%0.532SS..Hα-helixtrans-61.7-39.2178170.50000111I2327 G2328 I2334 H2335I2327-V2331 HydrophobicContact CG2-CG2 4.28Å; I2327-V2331 WeakPolarHBondContact O-CB 3.49Å; I2327-V2331 WeakPolarHBondContact O-CG2 3.13Å; I2327-V2331 PolarHBondContact O-N 2.71Å; G2328-V2331 PolarHBondContact O-N 2.81Å; V2331-I2334 PolarHBondContact O-N 2.73Å; V2331-H2335 WeakPolarHBondContact O-CB 3.37Å; V2331-H2335 PolarHBondContact O-N 2.79Å
2332Q74.4Confident70.4Confident108 Ų108111.1 Ų111.151%0.50552%0.519SS..Hα-helixtrans-66.4-38.5176.3-165.2-179.642.800112.4G2328 R2329 V2330 R2336G2328-Q2332 VanDerWaalsContact O-CB 3.29Å; G2328-Q2332 WeakPolarHBondContact O-CB 3.29Å; G2328-Q2332 PolarHBondContact O-N 3.28Å; R2329-Q2332 PolarHBondContact O-N 2.87Å; V2330-Q2332 VanDerWaalsContact C-N 3.31Å; V2330-Q2332 PolarHBondContact O-N 3.41Å; Q2332-R2336 WeakPolarHBondContact O-CB 3.33Å; Q2332-R2336 WeakPolarHBondContact O-CG 3.19Å; Q2332-R2336 PolarHBondContact O-N 3.28Å
2333V69.8Low70.9Confident82 Ų82108.8 Ų108.850%0.49751%0.514SS..Hα-helixtrans-67.9-47.3173.91700000111R2329 V2330 H2335 R2336 M2337R2329-V2333 WeakPolarHBondContact O-CG2 3.28Å; R2329-V2333 PolarHBondContact O-N 3.13Å; V2330-V2333 PolarHBondContact O-N 3.23Å; V2333-H2335 VanDerWaalsContact C-N 3.3Å; V2333-H2335 PolarHBondContact O-N 2.78Å; V2333-R2336 PolarHBondContact O-N 2.83Å; V2333-M2337 HydrophobicContact CG1-CG 4.47Å; V2333-M2337 HydrophobicContact CG1-SD 4.23Å; V2333-M2337 WeakPolarHBondContact O-CG 3.41Å; V2333-M2337 PolarHBondContact O-N 2.69Å
2334I72Confident70.9Confident80 Ų80108.3 Ų108.341%0.4151%0.512SS..Hα-helixtrans-60.3-41.1176-68.5171.3000110.6V2330 V2331 M2337 K2338V2330-I2334 HydrophobicContact CG1-CD1 3.71Å; V2330-I2334 HydrophobicContact CG1-CG1 4.45Å; V2330-I2334 WeakPolarHBondContact O-CG1 3.41Å; V2330-I2334 PolarHBondContact O-N 3.43Å; V2331-I2334 PolarHBondContact O-N 2.73Å; I2334-M2337 PolarHBondContact O-N 3.41Å; I2334-K2338 VanDerWaalsContact O-CB 3.23Å; I2334-K2338 WeakPolarHBondContact O-CB 3.49Å; I2334-K2338 PolarHBondContact O-N 2.88Å
2335H78.5Confident71.1Confident129 Ų129108.5 Ų108.560%0.59751%0.509SS*.Hα-helixtrans-64.7-43.1175.4-173.4-89.7000112V2331 V2333 K2338 H2339V2331-H2335 WeakPolarHBondContact O-CB 3.37Å; V2331-H2335 PolarHBondContact O-N 2.79Å; V2333-H2335 VanDerWaalsContact C-N 3.3Å; V2333-H2335 PolarHBondContact O-N 2.78Å; H2335-K2338 PolarHBondContact O-N 3.32Å; H2335-H2339 VanDerWaalsContact O-CB 3.29Å; H2335-H2339 WeakPolarHBondContact O-CB 3.5Å; H2335-H2339 PolarHBondContact O-N 2.77Å
2336R71.6Confident70.8Confident164 Ų164109.6 Ų109.662%0.61951%0.513SS*.Hα-helixtrans-63.1-43.9174.2-77.1176.6175.2-171.5-0.5111.9Q2332 V2333 H2339 L2340Q2332-R2336 WeakPolarHBondContact O-CB 3.33Å; Q2332-R2336 WeakPolarHBondContact O-CG 3.19Å; Q2332-R2336 PolarHBondContact O-N 3.28Å; V2333-R2336 PolarHBondContact O-N 2.83Å; R2336-H2339 PolarHBondContact O-N 3.39Å; R2336-L2340 WeakPolarHBondContact O-CB 3.2Å; R2336-L2340 WeakPolarHBondContact O-CG 3.33Å; R2336-L2340 PolarHBondContact O-N 2.95Å
2337M65.6Low70.5Confident117 Ų117112.9 Ų112.958%0.57653%0.528SS*.Hα-helixtrans-62.3-46.2174.2-73.5-177.571.900111.7V2333 I2334 H2339 L2340 V2341V2333-M2337 HydrophobicContact CG1-CG 4.47Å; V2333-M2337 HydrophobicContact CG1-SD 4.23Å; V2333-M2337 WeakPolarHBondContact O-CG 3.41Å; V2333-M2337 PolarHBondContact O-N 2.69Å; I2334-M2337 PolarHBondContact O-N 3.41Å; M2337-H2339 VanDerWaalsContact C-N 3.32Å; M2337-H2339 PolarHBondContact O-N 2.71Å; M2337-L2340 PolarHBondContact O-N 3.11Å; M2337-V2341 WeakPolarHBondContact O-CB 3.25Å; M2337-V2341 WeakPolarHBondContact O-CG2 3.44Å; M2337-V2341 PolarHBondContact O-N 2.83Å
2338K76.9Confident69.2Low142 Ų142112.9 Ų112.962%0.61753%0.529SS*.Hα-helixtrans-65.5-34.9178.6-164.8170.8-173.6174.30111.9I2334 H2335 N2342I2334-K2338 VanDerWaalsContact O-CB 3.23Å; I2334-K2338 WeakPolarHBondContact O-CB 3.49Å; I2334-K2338 PolarHBondContact O-N 2.88Å; H2335-K2338 PolarHBondContact O-N 3.32Å; K2338-N2342 WeakPolarHBondContact O-CB 3.24Å; K2338-N2342 PolarHBondContact O-N 3.38Å; K2338-N2342 PolarHBondContact O-ND2 3.46Å
2339H73.9Confident67.4Low114 Ų114118.6 Ų118.653%0.52855%0.549SS..Hα-helixtrans-67.9-42.4171.3-175.8-85.2000112.1H2335 R2336 M2337 N2342 K2343H2335-H2339 VanDerWaalsContact O-CB 3.29Å; H2335-H2339 WeakPolarHBondContact O-CB 3.5Å; H2335-H2339 PolarHBondContact O-N 2.77Å; R2336-H2339 PolarHBondContact O-N 3.39Å; M2337-H2339 VanDerWaalsContact C-N 3.32Å; M2337-H2339 PolarHBondContact O-N 2.71Å; H2339-N2342 PolarHBondContact O-N 2.71Å; H2339-K2343 WeakPolarHBondContact O-CB 3.35Å; H2339-K2343 PolarHBondContact O-N 3.1Å
2340L71.4Confident65.7Low86 Ų86115.3 Ų115.345%0.4555%0.552SS.*Hα-helixtrans-64.4-46.5175.3-75.7168000111.8R2336 M2337 N2342 K2343 W2344R2336-L2340 WeakPolarHBondContact O-CB 3.2Å; R2336-L2340 WeakPolarHBondContact O-CG 3.33Å; R2336-L2340 PolarHBondContact O-N 2.95Å; M2337-L2340 PolarHBondContact O-N 3.11Å; L2340-N2342 VanDerWaalsContact C-N 3.34Å; L2340-N2342 PolarHBondContact O-N 2.92Å; L2340-K2343 PolarHBondContact O-N 2.77Å; L2340-W2344 PolarHBondContact O-N 2.78Å
2341V70.6Confident64Low72 Ų72117.7 Ų117.744%0.43657%0.571SS.*Hα-helixtrans-61.4-41.4174.8170.40000111.2M2337 K2343 W2344 R2345M2337-V2341 WeakPolarHBondContact O-CB 3.25Å; M2337-V2341 WeakPolarHBondContact O-CG2 3.44Å; M2337-V2341 PolarHBondContact O-N 2.83Å; V2341-K2343 VanDerWaalsContact C-N 3.29Å; V2341-K2343 PolarHBondContact O-N 2.73Å; V2341-W2344 PolarHBondContact O-N 3.38Å; V2341-R2345 VanDerWaalsContact O-CB 3.3Å; V2341-R2345 WeakPolarHBondContact O-CB 3.15Å; V2341-R2345 PolarHBondContact O-N 3.18Å
2342N74.8Confident61.9Low69 Ų69121.8 Ų121.837%0.36959%0.586SS.*Hα-helixtrans-70.4-22.3174.2-75.9-11.7000113.5K2338 H2339 L2340 R2346K2338-N2342 WeakPolarHBondContact O-CB 3.24Å; K2338-N2342 PolarHBondContact O-N 3.38Å; K2338-N2342 PolarHBondContact O-ND2 3.46Å; H2339-N2342 PolarHBondContact O-N 2.71Å; L2340-N2342 VanDerWaalsContact C-N 3.34Å; L2340-N2342 PolarHBondContact O-N 2.92Å; N2342-R2346 WeakPolarHBondContact O-CB 3.49Å; N2342-R2346 VanDerWaalsContact O-CD 3.26Å; N2342-R2346 WeakPolarHBondContact O-CD 3.47Å; N2342-R2346 WeakPolarHBondContact O-CG 3.13Å; N2342-R2346 PolarHBondContact O-N 3.19Å
2343K72.8Confident59.9Low122 Ų122125.1 Ų125.153%0.5360%0.602SS.*Hα-helixtrans-79.3-41.3172.7-169.5177.8-179.2-177.30111H2339 L2340 V2341 R2346 L2347H2339-K2343 WeakPolarHBondContact O-CB 3.35Å; H2339-K2343 PolarHBondContact O-N 3.1Å; L2340-K2343 PolarHBondContact O-N 2.77Å; V2341-K2343 VanDerWaalsContact C-N 3.29Å; V2341-K2343 PolarHBondContact O-N 2.73Å; K2343-R2346 PolarHBondContact O-N 2.67Å; K2343-L2347 HydrophobicContact CG-CD1 4.19Å; K2343-L2347 VanDerWaalsContact O-CG 3.31Å; K2343-L2347 WeakPolarHBondContact O-CG 3.48Å; K2343-L2347 PolarHBondContact O-N 2.92Å; K2343-L2347 VanDerWaalsContact O-N 3.13Å
2344W59.1Low58Low142 Ų142125.8 Ų125.854%0.53861%0.61SS.*Hα-helixtrans-59.5-50.3169.6-87.679.3000110.9A2264 L2340 V2341 R2346 L2347 D2348A2264-W2344 HydrophobicContact CB-CH2 3.94Å; A2264-W2344 HydrophobicContact CB-CZ2 3.81Å; L2340-W2344 PolarHBondContact O-N 2.78Å; V2341-W2344 PolarHBondContact O-N 3.38Å; W2344-R2346 PolarHBondContact O-N 3.16Å; W2344-L2347 CarbonylContact O-C 3.24Å; W2344-L2347 WeakPolarHBondContact O-CA 3.24Å; W2344-L2347 PolarHBondContact O-N 2.8Å; W2344-D2348 PolarHBondContact O-N 2.75Å
2345R69.5Low56.1Low156 Ų156128.2 Ų128.259%0.58963%0.629SS**THydrogen-bonded Turntrans-69.18.1175.7-147.9-166.6-59.1177.2-2.5115.5V2341 D2348V2341-R2345 VanDerWaalsContact O-CB 3.3Å; V2341-R2345 WeakPolarHBondContact O-CB 3.15Å; V2341-R2345 PolarHBondContact O-N 3.18Å; R2345-D2348 WeakPolarHBondContact CA-OD2 3.43Å
2346R66.2Low53.8Low211 Ų211127.8 Ų127.880%0.79664%0.637SS**THydrogen-bonded Turntrans-120.6-4168.5-73.6173.8-173.9-1372.4112.5N2342 K2343 W2344N2342-R2346 WeakPolarHBondContact O-CB 3.49Å; N2342-R2346 VanDerWaalsContact O-CD 3.26Å; N2342-R2346 WeakPolarHBondContact O-CD 3.47Å; N2342-R2346 WeakPolarHBondContact O-CG 3.13Å; N2342-R2346 PolarHBondContact O-N 3.19Å; K2343-R2346 PolarHBondContact O-N 2.67Å; W2344-R2346 PolarHBondContact O-N 3.16Å
2347L54.3Low52Low117 Ų117126.3 Ų126.361%0.61364%0.64SS**THydrogen-bonded Turntrans-106.7-15.7171.1-69.9168.7000111.3K2343 W2344 I2349K2343-L2347 HydrophobicContact CG-CD1 4.19Å; K2343-L2347 VanDerWaalsContact O-CG 3.31Å; K2343-L2347 WeakPolarHBondContact O-CG 3.48Å; K2343-L2347 PolarHBondContact O-N 2.92Å; K2343-L2347 VanDerWaalsContact O-N 3.13Å; W2344-L2347 CarbonylContact O-C 3.24Å; W2344-L2347 WeakPolarHBondContact O-CA 3.24Å; W2344-L2347 PolarHBondContact O-N 2.8Å; L2347-I2349 PolarHBondContact O-N 2.66Å; L2347-I2349 VanDerWaalsContact O-N 3.09Å
2348D42.9Very low50.3Low105 Ų105127.5 Ų127.556%0.56165%0.649SS**SBendtrans-56.2109.2163.5-69.1-30.2000109.4W2344 R2345W2344-D2348 PolarHBondContact O-N 2.75Å; R2345-D2348 WeakPolarHBondContact CA-OD2 3.43Å
2349I39.7Very low48.1Very low157 Ų157128.4 Ų128.481%0.80566%0.661SS**PPolyproline II helixtrans-69.5133.1175.9-60.6171.6000107.6L2347L2347-I2349 PolarHBondContact O-N 2.66Å; L2347-I2349 VanDerWaalsContact O-N 3.09Å
2350P35.4Very low46Very low117 Ų117131 Ų13176%0.7667%0.67SS**PPolyproline II helixtrans-66.6152.7-17125.8-35000113.9
2351S30.7Very low44.2Very low93 Ų93133.7 Ų133.765%0.6568%0.684SS**PPolyproline II helixtrans-50.2141.6-174.5-176.80000115.4E2353S2351-E2353 PolarHBondContact OG-N 3.41Å
2352M29.9Very low42.2Very low174 Ų174136.8 Ų136.886%0.85770%0.697SS**  trans-130.379158.4-86.8-8578.300110.2
2353E32.9Very low40Very low179 Ų179142.6 Ų142.684%0.83672%0.715SS**  trans-83.4108.2177.1-179.3174.5-152.100110.9S2351S2351-E2353 PolarHBondContact OG-N 3.41Å
2354S29.9Very low37.7Very low95 Ų95144 Ų14466%0.66473%0.726SS**  trans-159128.2165.9540000115.4
2355T32.1Very low36.3Very low132 Ų132144.9 Ų144.981%0.8174%0.735SS**  trans56.4112.2160.745.60000119.9
2356P29.5Very low34.3Very low120 Ų120143.6 Ų143.678%0.77975%0.745SS**  trans-87.9145.1174.135.1-34.1000113.7
2357I33Very low32.5Very low132 Ų132137.2 Ų137.268%0.67773%0.727SS**  trans-134.3125.5162.1-68.4-172.3000108.3
2358N30.3Very low31.2Very low143 Ų143137.2 Ų137.277%0.76573%0.732SS**  trans-54.6138.9-171.2-52.412.1000113.4
2359N30.8Very low30.6Very low161 Ų161137 Ų13786%0.86174%0.736SS**  trans-140.1164.2152.1-140-1.8000110.9
2360K30.4Very low30.1Very low167 Ų167136 Ų13673%0.72674%0.737SS**  trans-73178.5-174.8-57.8173174176.10113.2
2361I32.6Very low29.7Very low143 Ų143134.7 Ų134.773%0.73373%0.731SS**  trans95.3121.6135.8-90.9159000120.1
2362L29.8Very low29.5Very low138 Ų138140.5 Ų140.572%0.72374%0.74SS**  trans55.3130.3147.5-57.2174.3000123.8
2363Y27.6Very low29.4Very low191 Ų191141.6 Ų141.675%0.74974%0.736SS**  trans81.6121.3134.2-87.1-129.7000122.7
2364M25.9Very low29.1Very low152 Ų152137 Ų13775%0.74973%0.729SS**  trans55.784.1132.3-61.4-60.8174.900119.5
2365H28.5Very low29.4Very low160 Ų160137.4 Ų137.474%0.74173%0.729SS**  trans-137.686.9157.6-10936000114.1N2367H2365-N2367 PolarHBondContact O-N 2.79Å
2366T27Very low29Very low129 Ų129137 Ų13779%0.79173%0.729SS**  trans-69.8110.3153.952.20000109.3
2367N28.5Very low28.9Very low77 Ų77140.5 Ų140.541%0.41273%0.732SS.*  trans-167.286.4164.8-93.2-46.4000116.4H2365H2365-N2367 PolarHBondContact O-N 2.79Å
2368T27.2Very low28.6Very low116 Ų116142.8 Ų142.871%0.71274%0.74SS**  trans62.9-165.4134.864.40000118.1
2369P31.5Very low28.3Very low101 Ų101140.8 Ų140.866%0.65673%0.726SS**  -130.8-176.1-80.141.1-24.8000115.2
2370T28.5Very low28Very low136 Ų136138.8 Ų138.883%0.83471%0.706SS**  trans-38.4146.9170.2-35.40000117.3
2371S27.1Very low27.8Very low89 Ų89134.3 Ų134.362%0.62270%0.696SS**  trans111.885.2144.9-158.50000119
2372Y26.5Very low27.5Very low215 Ų215136.9 Ų136.984%0.84370%0.702SS**  trans-145.5154143.9-89.7-97.2000107.9
2373Y28.2Very low27.2Very low197 Ų197135.4 Ų135.477%0.77370%0.704SS**  cis-160.1163.8-44-140.1-88.4000106.4
2374A27.3Very low27.2Very low83 Ų83131.3 Ų131.369%0.68670%0.703SS**  trans-68.1155.6-174.600000114.4
2375P34.6Very low27.2Very low104 Ų104129.7 Ų129.768%0.67570%0.702SS**  trans-90.4151.8-164.335.2-37000115.2
2376P25.4Very low27.2Very low124 Ų124129.7 Ų129.781%0.80571%0.706SS**  trans-93.5109.4157.733.4-26.4000111Q2378P2376-Q2378 PolarHBondContact O-N 3.5Å
2377F27Very low27.2Very low192 Ų192129.8 Ų129.884%0.84270%0.702SS**  trans-67.4124.9159.9-89.8-105.3000109.5
2378Q25.4Very low27.2Very low181 Ų181135.6 Ų135.685%0.84672%0.718SS**  trans-163.6135141.4-110.9153.355.800114.2P2376P2376-Q2378 PolarHBondContact O-N 3.5Å
2379H24.8Very low27.1Very low101 Ų101134.3 Ų134.347%0.46871%0.714SS.*  trans8.2147136-62.9-49.6000119.7N358N358-H2379 PolarHBondContact OD1-CE1 2.77Å; N358-H2379 PolarHBondContact OD1-NE2 3.12Å
2380R25.4Very low27Very low118 Ų118135.3 Ų135.345%0.44571%0.714SS.*  cis-164.2171.115.2-135.1173.2-97.6169-9.5113.6L359 D361L359-R2380 VanDerWaalsContact C-NH2 3.3Å; L359-R2380 PolarHBondContact O-NH1 3.37Å; L359-R2380 PolarHBondContact O-NH2 2.77Å; D361-R2380 WeakPolarHBondContact OD1-CD 3.24Å; D361-R2380 IonicContact OD1-CZ 3.71Å; D361-R2380 IonicContact OD1-NE 3.16Å; D361-R2380 IonicContact OD1-NH1 2.73Å; D361-R2380 PolarHBondContact OD1-NH1 2.68Å; D361-R2380 WeakPolarHBondContact OD2-CD 3.37Å
2381S26.2Very low27.1Very low74 Ų74136.1 Ų136.152%0.51771%0.708SS.*  trans55.9101.3145.8-57.20000119.5D361D361-S2381 PolarHBondContact OD2-OG 3.15Å
2382F24.3Very low27.2Very low196 Ų196137.4 Ų137.486%0.8671%0.713SS**  trans-35.6138.8135.9-62.1-101.8000112.5
2383S25.4Very low27.3Very low108 Ų108133.6 Ų133.676%0.75571%0.707SS**  trans-131.462.9161.6-89.20000110.7T2385S2383-T2385 PolarHBondContact O-N 3.27Å
2384S26.3Very low27.3Very low104 Ų104134.8 Ų134.873%0.72771%0.71SS**  trans-91.873.3167.358.80000110.3
2385T25.6Very low27.5Very low119 Ų119138.2 Ų138.273%0.7372%0.715SS**  trans-133.6107.5169.8350000108.7S2383S2383-T2385 PolarHBondContact O-N 3.27Å
2386L29.2Very low27.7Very low159 Ų159138.1 Ų138.183%0.83271%0.714SS**  65.975.664.8-165.683000112.2
2387D26.6Very low28Very low132 Ų132140 Ų14071%0.70672%0.718SS**  trans-107.2105.8150.4-13034.1000106.2
2388R28Very low28.3Very low199 Ų199134.5 Ų134.575%0.75172%0.715SS**  71.9110.669-171.9-172.2-166-174.15.6108.8
2389S27Very low28.5Very low88 Ų88130.9 Ų130.962%0.61571%0.709SS**  cis176.1179.537.845.30000113.3
2390N28.8Very low28.6Very low123 Ų123133.1 Ų133.166%0.65872%0.724SS**  trans84.5115142.5-78.2-46.3000120.1
2391Q30.8Very low28.8Very low152 Ų152138 Ų13871%0.7174%0.743SS**  86.386.2127.3-67171.226.700119.1
2392T27.8Very low29.3Very low117 Ų117141 Ų14172%0.71875%0.752SS**  44.9116.9115.1560000118.3
2393N29.3Very low29.7Very low135 Ų135137 Ų13772%0.72275%0.745SS**  -176.8143.4108.1-104.1-83.1000114.5
2394R29.1Very low29.8Very low222 Ų222139.1 Ų139.184%0.83875%0.747SS**  trans7687.1144.5-69.7171.5-171.8-145.9-2.5122.5
2395I31Very low29.9Very low155 Ų155141.4 Ų141.480%0.79574%0.744SS**  -42172.5123.1-11.6176.1000113.5
2396P39Very low29.9Very low102 Ų102142.1 Ų142.166%0.66274%0.739SS**  -115.5-164.3-85.240.6-24.9000113.5
2397N30.7Very low29.9Very low164 Ų164140.9 Ų140.988%0.87773%0.733SS**  trans56.898.1158.1-72.1-19.2000118.4
2398G33.9Very low30.1Very low76 Ų76142.1 Ų142.178%0.78473%0.734SS**  trans-176.4108.3165.300000118.4
2399S28.5Very low30.1Very low104 Ų104136.2 Ų136.273%0.72773%0.728SS**  trans66.198.4134.6-173.30000121.7
2400L28.6Very low30.1Very low149 Ų149139.2 Ų139.278%0.7873%0.732SS**  67.7137125.2-74.9162.1000122.7
2401R29.1Very low30.1Very low220 Ų220141.9 Ų141.983%0.8374%0.741SS**  trans80119.5158.4-66167.9-173.1-164.52.3115.9
2402I37.1Very low29.9Very low138 Ų138139.6 Ų139.671%0.70874%0.741SS**  cis55.210245.8-50.2176.9000110.9L2404I2402-L2404 HydrophobicContact CG2-CD1 3.87Å; I2402-L2404 HydrophobicContact CG2-CG 4.42Å
2403P32.5Very low30Very low111 Ų111140.7 Ų140.772%0.72174%0.743SS**  -116.6159.770.43.919.3000112.4
2404L26.9Very low29.9Very low152 Ų152140.3 Ų140.380%0.79674%0.741SS**  64.1156.750.9-71152.3000114I2402I2402-L2404 HydrophobicContact CG2-CD1 3.87Å; I2402-L2404 HydrophobicContact CG2-CG 4.42Å
2405K27.7Very low30Very low152 Ų152135.5 Ų135.566%0.66173%0.73SS**  trans85.4122169.2-71.4-174.6170-72.40115.3
2406E26.7Very low29.8Very low135 Ų135138.8 Ų138.863%0.63173%0.734SS**  81.4147.555.4178.7-160.7-78.500110.1
2407L29.9Very low29.3Very low133 Ų133137.9 Ų137.970%0.69673%0.73SS**  trans78.5106.8-166.5-49.7-178.3000111.2
2408H29Very low29.1Very low157 Ų157134.9 Ų134.973%0.72772%0.722SS**  73.9112.883.1-78.4-132.7000110.3
2409A29.4Very low28.8Very low76 Ų76135.2 Ų135.263%0.62872%0.718SS**  86.9167.367.500000111.4
2410E26.7Very low28.9Very low150 Ų150136.8 Ų136.870%0.70172%0.717SS**  trans66.1132.6176-76.4121.8-125.700114.7
2411E27.8Very low28.9Very low180 Ų180136.6 Ų136.684%0.84171%0.712SS**  47.1116.292.9-49.1-179.3165.600111.5
2412S27.4Very low28.8Very low104 Ų104132.2 Ų132.273%0.72771%0.705SS**  -149156.45162.50000111.7
2413N30.3Very low28.3Very low139 Ų139130.6 Ų130.674%0.74371%0.706SS**  52.8142.862.5-95.3-31.8000114.1
2414N27.5Very low28Very low128 Ų128129.8 Ų129.868%0.68470%0.704SS**  trans74.6113.2162.1-61.2-27.1000120.1
2415I30.6Very low28Very low121 Ų121129.4 Ų129.462%0.62170%0.702SS**  49.7106.7111-53.9156.8000116.5S2417I2415-S2417 WeakPolarHBondContact CG2-OG 3.38Å
2416Y27.4Very low28.1Very low224 Ų224130.5 Ų130.588%0.87871%0.707SS**  -132.3123.7114.9-94.9-94.2000106.1
2417S27Very low28.4Very low82 Ų82131.4 Ų131.457%0.57372%0.716SS**  63.2133.362.1-57.50000111.1I2415I2415-S2417 WeakPolarHBondContact CG2-OG 3.38Å
2418S27Very low28.4Very low101 Ų101128.8 Ų128.871%0.70672%0.72SS**  cis-144.7156.634.2-46.10000111
2419A28.6Very low28.5Very low84 Ų84131.1 Ų131.169%0.69473%0.728SS**  47.6137.897.300000114.6
2420L30.2Very low28.6Very low136 Ų136136 Ų13671%0.71274%0.738SS**  cis-143.1127.641.1-67.1159000109.8
2421Q28.4Very low28.6Very low146 Ų146138.6 Ų138.668%0.68274%0.743SS**  88.514598-75.5-178.1-9.400116.1
2422N27Very low28.7Very low127 Ų127137.4 Ų137.468%0.67974%0.742SS**  trans34.7127.2138-39.3-20.4000117.6
2423S26.8Very low28.7Very low104 Ų104137 Ų13773%0.72774%0.739SS**  cis-167133.441.6-42.20000113.4
2424S26.1Very low28.6Very low95 Ų95137 Ų13766%0.66474%0.739SS**  55.6131.8117.680.60000123.6
2425L27.6Very low29Very low144 Ų144140.6 Ų140.675%0.75474%0.744SS**  trans60.4111.4138.7-56.1161.5000117.6
2426F29.2Very low29Very low175 Ų175140.4 Ų140.477%0.76875%0.751SS**  -176.114075.7-111.6-82.1000114.2
2427N32.1Very low29.2Very low154 Ų154135.4 Ų135.482%0.82474%0.743SS**  trans37.1113.2152.1-68.9-2.3000124.2
2428G29.8Very low29.4Very low77 Ų77139.8 Ų139.879%0.79475%0.754SS**  trans118.1117.813800000116.4
2429K31.2Very low29.6Very low206 Ų206140.5 Ų140.590%0.89676%0.755SS**SBendcis-133118.6-5-72.2179178.9175.70110.6
2430Q31.8Very low29.9Very low178 Ų178142.2 Ų142.283%0.83276%0.759SS**  trans20.2136.3149.3-49.6-179.7-41.800121
2431Y27.4Very low29.7Very low206 Ų206146 Ų14681%0.80876%0.764SS**  cis-175.4158.3-25.2-120.7-54.7000110.1
2432L29.6Very low29.7Very low155 Ų155145.5 Ų145.581%0.81277%0.765SS**  trans71.5119.2163.7-60.2156.6000116.2
2433S27.4Very low29.8Very low96 Ų96144 Ų14467%0.67176%0.764SS**  cis103.295.414-169.90000116.5
2434N28.4Very low30Very low138 Ų138147 Ų14774%0.73877%0.767SS**  trans48.1119.8132.8-61.7-3.2000122
2435Y34.5Very low30.2Very low203 Ų203147.9 Ų147.980%0.79676%0.763SS**  trans56.6142.7141.3-76.6-81.9000121.2
2436P30.7Very low30.2Very low118 Ų118148.3 Ų148.377%0.76676%0.761SS**  -132.1148113.437.4-30.6000114.3
2437V32.2Very low30.3Very low118 Ų118145 Ų14572%0.71576%0.755SS**  trans-88.7135.3161.1169.80000108.4
2438H30.5Very low30.1Very low174 Ų174142.9 Ų142.981%0.80675%0.753SS**  trans-151.4127.9158.3-96.6-59.2000114.7
2439T32.1Very low30.8Very low117 Ų117145.1 Ų145.172%0.71875%0.753SS**  trans-59.3140.6174.552.50000115.4
2440P34.1Very low30.8Very low120 Ų120141.1 Ų141.178%0.77975%0.751SS**  -150167.8119.534.7-17.1000115.7
2441R27.1Very low30.8Very low215 Ų215135.3 Ų135.381%0.81174%0.739SS**  cis-172.2140.9-42.3-128.8-177.5178.6-170.3-0.7113.5
2442L28.5Very low31Very low136 Ų136136.2 Ų136.271%0.71274%0.742SS**  trans79.9140.4145-120.475.8000123.8
2443S29.6Very low31.1Very low95 Ų95132.9 Ų132.966%0.66473%0.732SS**  trans73.4145.4144.775.60000117.7
2444H30.2Very low31.2Very low167 Ų167133.4 Ų133.477%0.77374%0.736SS**  cis166.4167.5-2.6-99.5-23.7000104.4
2445I29.8Very low31.2Very low113 Ų113134.1 Ų134.158%0.57974%0.738SS**  cis-163.9145.513.2-129.4163.3000110.7
2446Q29.1Very low31.1Very low154 Ų154130.4 Ų130.472%0.7273%0.732SS**  trans57.8161.6152-67.5168.3-117.800120.6
2447T30.4Very low31Very low104 Ų104131.8 Ų131.864%0.63873%0.728SS**  cis-153.5129.2-15.715.70000106.2
2448S29.1Very low30.9Very low111 Ų111131.1 Ų131.178%0.77672%0.721SS**  84.2141.174-54.90000115.4
2449P43.9Very low30.8Very low123 Ų123130.3 Ų130.380%0.79972%0.717SS**  trans-117.5-177.1-162.443.9-33.6000114.6
2450S30.1Very low30.5Very low123 Ų123129.9 Ų129.986%0.8672%0.715SS**  trans173.7158.4136.546.20000113.9
2451G32.4Very low30.2Very low55 Ų55131.3 Ų131.357%0.56771%0.714SS**  trans129.293135.300000119.9
2452Y32.7Very low30.1Very low225 Ų225125.7 Ų125.788%0.88271%0.708SS**  trans64.1156138.4-54.7-64.6000119
2453S30.1Very low30Very low86 Ų86125.8 Ų125.860%0.60171%0.714SS**  cis-167.9151.8-14.8-107.60000110.6
2454S29.8Very low30Very low107 Ų107125.1 Ų125.175%0.74872%0.722SS**  trans64.6159.3141.469.90000121.4
2455L29.1Very low29.9Very low152 Ų152122.9 Ų122.980%0.79673%0.725SS**  cis-166.3165.1-24.8-102.3174.6000108.5
2456L32.1Very low29.7Very low126 Ų126122 Ų12266%0.6673%0.729SS**  trans60.8107.5157.7-91.577.2000120.9
2457E28.6Very low29.8Very low147 Ų147121.3 Ų121.369%0.68773%0.726SS**  48.7107.693.6-155.2-165.6-162.200118.2
2458N29.5Very low29.7Very low104 Ų104125.2 Ų125.256%0.55673%0.729SS**  172.6130.3107.2-95.5-72.6000115.5
2459Q28.2Very low29.8Very low157 Ų157130.2 Ų130.273%0.73473%0.73SS**  trans59.4125.3134.2-67.2-179.72700124
2460T26.3Very low29Very low108 Ų108131 Ų13166%0.66372%0.723SS**  trans82.1116130.154.70000123.5
2461I27.5Very low29.3Very low149 Ų149130 Ų13076%0.76472%0.715SS**  84.5126.6121.7-67170.7000120
2462S25.7Very low29.2Very low97 Ų97136.2 Ų136.268%0.67873%0.728SS**  trans74.3127.7152.1-74.80000122.2
2463T27.2Very low29.1Very low139 Ų139130.5 Ų130.585%0.85372%0.721SS**  trans49.1125.2134.566.20000119.8
2464G29.6Very low28.9Very low80 Ų80131.6 Ų131.683%0.82573%0.729SS**  trans177.9100.9162.700000113.8
2465S26.4Very low28.9Very low121 Ų121136 Ų13685%0.84674%0.735SS**  trans-67133.2171176.80000111.8
2466S26.6Very low28.7Very low95 Ų95135.3 Ų135.366%0.66473%0.732SS**  trans67.1176.3148.5-163.20000118.4
2467H30Very low28.5Very low138 Ų138136.6 Ų136.664%0.63974%0.739SS**  trans73.8104.8170.7-82.142.3000117.2
2468R29.2Very low28.3Very low186 Ų186134.3 Ų134.370%0.70274%0.739SS**  78.4102.268.7177-161.8-173.3-176.94.1112
2469R30.6Very low28.2Very low216 Ų216134.5 Ų134.582%0.81574%0.744SS**  trans173.7148.9141.4-93.7153.1-156.4-76.910.1110.6
2470Q28.4Very low28.1Very low139 Ų139132.5 Ų132.565%0.6574%0.743SS**  cis-165159.6-33.4-121.2-170.3-64.400107.1
2471P35.1Very low28.1Very low104 Ų104133.4 Ų133.468%0.67575%0.748SS**  trans-90.9140.8-169.735-33.2000114.1
2472H30.5Very low28.1Very low184 Ų184130.9 Ų130.985%0.85274%0.744SS**  trans-150.2142.4159.1-63.2-60.5000106.9
2473S30.3Very low28.2Very low106 Ų106130.6 Ų130.674%0.74175%0.748SS**  cis-157.1154.8-4.649.20000109.8
2474S25.7Very low28.2Very low109 Ų109129.6 Ų129.676%0.76274%0.741SS**  trans-62.5144.3166.643.40000112.3
2475F29.7Very low28.2Very low200 Ų200132.6 Ų132.688%0.87774%0.738SS**  trans-165.3152.1146.6-111.2-69.5000112
2476N25.5Very low28.4Very low137 Ų137130.7 Ų130.773%0.73373%0.725SS**  trans-84.9146.1-178.1-46-76.1000112.8
2477L28.6Very low28.5Very low152 Ų152132.9 Ų132.980%0.79673%0.734SS**  trans178.8131138.7-116.257.1000105.4
2478S23.9Very low28.6Very low99 Ų99129.5 Ų129.569%0.69274%0.737SS**  cis66.614343.6-49.50000114.3
2479T26.5Very low28.6Very low109 Ų109127.8 Ų127.867%0.66974%0.74SS**  trans67.2100161.934.60000119.5
2480T25.9Very low28.7Very low115 Ų115123 Ų12371%0.70674%0.737SS**  68.5153.8120.258.80000122.3
2481T27.2Very low28.7Very low127 Ų127123.2 Ų123.278%0.77974%0.741SS**  trans68145.6148.847.90000119.4
2482S26.8Very low28.4Very low95 Ų95122.8 Ų122.866%0.66474%0.74SS**  cis-175.6144.3-16.149.80000112.4
2483A27.7Very low28.4Very low92 Ų92123.6 Ų123.676%0.7674%0.736SS**  trans59.2-170.3143.400000118.5
2484V29Very low28.3Very low117 Ų117125.3 Ų125.371%0.70973%0.732SS**  trans69.2108.7171.2-168.20000113.3
2485N29.5Very low28.5Very low143 Ų143128.7 Ų128.777%0.76573%0.734SS**  cis-170.3171.714.7-104.1-2.3000107.7
2486S28.7Very low28.8Very low82 Ų82123.9 Ų123.957%0.57372%0.723SS**  cis-168.4132.8-4.6-107.50000112.8
2487T29.6Very low29.1Very low141 Ų141124.1 Ų124.187%0.86572%0.722SS**  trans49129.1136.563.40000124.5
2488G33.1Very low29.2Very low67 Ų67122.3 Ų122.369%0.69172%0.718SS**  trans130.6117.6151.200000114.4
2489I28.9Very low29.5Very low150 Ų150122.8 Ų122.877%0.76972%0.72SS**  cis61.3118.318.1-50.3177.6000111.4I2491I2489-I2491 HydrophobicContact CG2-CD1 3.98Å; I2489-I2491 HydrophobicContact CG2-CG1 4.27Å
2490P31.6Very low29.8Very low116 Ų116124.8 Ų124.875%0.75373%0.725SS**  -131.9149.650.51116.2000116.5
2491I29.3Very low30.3Very low142 Ų142124.8 Ų124.873%0.72873%0.727SS**  83.8134.272.2-65166.5000116.5I2489I2489-I2491 HydrophobicContact CG2-CD1 3.98Å; I2489-I2491 HydrophobicContact CG2-CG1 4.27Å
2492S28.3Very low30.6Very low95 Ų95126.3 Ų126.366%0.66473%0.729SS**  trans80.2146.3164.6-74.50000118.5
2493R30.2Very low30.7Very low201 Ų201129.2 Ų129.276%0.75874%0.737SS**  cis-166149.87.6-119.2164-155.5-143.78.2114.8
2494Q28.9Very low30.8Very low142 Ų142135 Ų13566%0.66475%0.745SS**  trans56.6113.2142.7-74.4159.1-31.600121.7
2495F29Very low30.8Very low181 Ų181134.2 Ų134.279%0.79474%0.744SS**  76.9151.779.2-87.9-86.8000113.8
2496P36.2Very low30.7Very low99 Ų99134 Ų13464%0.64374%0.743SS**  cis-152.9-157.6-4543.8-22.6000117
2497I32.4Very low30.7Very low141 Ų141139 Ų13972%0.72376%0.755SS**  trans91.8100.7150.2-81.5168.8000120.6
2498T31Very low30.5Very low114 Ų114136.8 Ų136.870%0.69975%0.745SS**  70.2150.3110.4720000118.6
2499C30Very low30.2Very low109 Ų109141.7 Ų141.774%0.73674%0.744SS**  cis-138.1-179.717.6-58.20000111.1
2500I32.5Very low30.1Very low151 Ų151140.8 Ų140.877%0.77474%0.741SS**  cis80.5139.116.4-56.4167.9000114.9
2501P36.8Very low29.9Very low116 Ų116141.9 Ų141.975%0.75373%0.73SS**  cis-115.3-140.5-3.727.5-1.6000112.8
2502I32.3Very low29.7Very low159 Ų159140 Ų14082%0.81573%0.729SS**  cis-163.2179.48.5-152.4166.2000113.6
2503N29Very low29.7Very low156 Ų156144.6 Ų144.683%0.83474%0.738SS**  trans-94160.8-170.9-71.7-10000119.2
2504K29.7Very low29.6Very low213 Ų213140.7 Ų140.793%0.92674%0.736SS**  trans-170.7169.1132.2-113177.5-176.7-177.20115.1
2505S29.6Very low29.5Very low100 Ų100144.1 Ų144.170%0.69974%0.743SS**  trans-138.1170.4-171.559.90000115.6
2506N28.4Very low29.6Very low138 Ų138143.4 Ų143.474%0.73875%0.747SS**  trans83.4150.1165.1-58.14.8000120.5
2507F28.3Very low29.2Very low189 Ų189143.1 Ų143.183%0.82975%0.747SS**  trans81.6109.8165.2-77.7-82.2000122.5
2508S25.8Very low29.3Very low94 Ų94141.7 Ų141.766%0.65774%0.738SS**  54.7127.9119.3-790000124.3
2509Y27.3Very low29.2Very low170 Ų170142.5 Ų142.567%0.66773%0.733SS**  trans61.3113.2144.2-82.6-90.2000121.9E389E389-Y2509 WeakPolarHBondContact OE2-CE1 3.43Å; E389-Y2509 VanDerWaalsContact OE2-CZ 3.26Å; E389-Y2509 PolarHBondContact OE2-OH 2.83Å
2510D26Very low29.1Very low130 Ų130142 Ų14270%0.69572%0.72SS**  trans81.2146.8131.1-154.726000121.9
2511R27.5Very low28.9Very low140 Ų140137.9 Ų137.953%0.52871%0.705SS.*  trans63.686.9162.4-83161.8-174.8-107.4-8.3121.9E384E384-R2511 VanDerWaalsContact O-CZ 3.29Å; E384-R2511 PolarHBondContact O-NH1 2.95Å; E384-R2511 PolarHBondContact O-NH2 2.84Å
2512S25.4Very low28.3Very low101 Ų101137.2 Ų137.271%0.70670%0.703SS**  80.4137.2109.7-60.70000123.9
2513F27.4Very low28.1Very low193 Ų193135.8 Ų135.885%0.84671%0.707SS**  trans91.7130.2144.1-88.8-61.7000123.8
2514T28.2Very low27.9Very low118 Ų118133.3 Ų133.372%0.72470%0.702SS**  trans7580.9151.833.70000121.8
2515R27.9Very low27.8Very low215 Ų215128.3 Ų128.381%0.81169%0.694SS**  43106.998.3-168.2-170.3-153.5170.17.8117.4
2516N29.7Very low27.7Very low166 Ų166128.6 Ų128.689%0.88870%0.696SS**  -157145.7124.9-109.5-21.3000112.5
2517S28.9Very low27.6Very low92 Ų92127 Ų12764%0.64370%0.695SS**  trans-127.3153-175.158.60000110.4
2518H32.7Very low27.6Very low112 Ų112125.8 Ų125.852%0.51970%0.697SS.*  trans-171.665.9151.6-105.441.8000113A1302 K1303 S1304A1302-H2518 VanDerWaalsContact C-CD2 3.43Å; A1302-H2518 PolarHBondContact O-CD2 2.78Å; K1303-H2518 CarbonylContact C-O 3.45Å; K1303-H2518 VanDerWaalsContact C-O 3.24Å; K1303-H2518 WeakPolarHBondContact CA-O 3.33Å; K1303-H2518 PolarHBondContact N-O 3.49Å; S1304-H2518 PolarHBondContact N-O 2.89Å
2519Q29.2Very low27.7Very low130 Ų130126.3 Ų126.361%0.60770%0.7SS**  13.6124.5117.1-125.4-166.716.100116.9T1301 A1302 K1303T1301-Q2519 CarbonylContact C-O 3.59Å; T1301-Q2519 HydrophobicContact CG2-CB 3.84Å; T1301-Q2519 VanDerWaalsContact CG2-CD 3.47Å; T1301-Q2519 HydrophobicContact CG2-CG 3.55Å; T1301-Q2519 VanDerWaalsContact N-OE1 3.12Å; A1302-Q2519 CarbonylContact C-O 3.4Å; A1302-Q2519 PolarHBondContact N-O 2.84Å; K1303-Q2519 PolarHBondContact N-O 3.2Å
2520Q29.5Very low27.8Very low98 Ų98124.8 Ų124.846%0.45870%0.702SS.*  trans-155.3141.9142.2-166.4168.468.100112.9T1301 K1303T1301-Q2520 PolarHBondContact O-NE2 2.87Å; K1303-Q2520 HydrophobicContact CB-CB 4.27Å; K1303-Q2520 HydrophobicContact CD-CB 4.34Å; K1303-Q2520 HydrophobicContact CG-CB 3.3Å; K1303-Q2520 HydrophobicContact CG-CG 4.12Å
2521S26.6Very low28.1Very low65 Ų65124.1 Ų124.146%0.45570%0.695SS.*  trans-111-179-172490000113.8T1301T1301-S2521 PolarHBondContact OG1-OG 3.44Å
2522S26Very low28.2Very low102 Ų102119.9 Ų119.971%0.71368%0.683SS**  trans56.2108.1150.459.30000120.2
2523S27.1Very low28.7Very low129 Ų129124.5 Ų124.590%0.90269%0.685SS**  -161.8150.2116.90.70000111.2
2524S25.7Very low29.2Very low105 Ų105121.2 Ų121.273%0.73467%0.672SS**  trans-77.1152.1-174.139.70000114.6
2525S26.5Very low29.4Very low107 Ų107126 Ų12675%0.74868%0.676SS**  167136.4123.3-73.40000115
2526S26.5Very low29.7Very low106 Ų106118.1 Ų118.174%0.74165%0.652SS**  trans55.7125.7144.963.20000123.6
2527S26.3Very low29.9Very low104 Ų104113.8 Ų113.873%0.72764%0.635SS**  trans70.9120.1136.865.20000122.8
2528L28.6Very low29.9Very low165 Ų165114.1 Ų114.186%0.86464%0.638SS**  trans42106.4134.6-69.9160.1000119.7
2529S27.8Very low29.8Very low104 Ų104113.6 Ų113.673%0.72764%0.642SS**  170.9122.8107-77.10000116
2530I31.2Very low29.8Very low138 Ų138113.4 Ų113.471%0.70866%0.655SS**  5498.8127.3-60.7-179.7000119.3
2531E30.7Very low29.6Very low117 Ų117112.5 Ų112.555%0.54766%0.66SS.*  80.3122.5116.3-140.2-138.8156.100121.6K468K468-E2531 IonicContact NZ-OE1 3.96Å; K468-E2531 PolarHBondContact NZ-OE1 3.09Å
2532N30.6Very low29.2Very low50 Ų50114 Ų11427%0.26767%0.67SS.*  trans53.5116.9136-80.3-11.9000121.8H2534N2532-H2534 PolarHBondContact OD1-CD2 3.14Å
2533R35.5Very low28.9Very low199 Ų199113.1 Ų113.175%0.75166%0.656SS**  -156.2130.581.5-92.5130.6-152-114.63.8110.5
2534H38.1Very low28.5Very low123 Ų123112.6 Ų112.657%0.56964%0.638SS**  53.687.162.9-79.8-56.9000113.5N2532N2532-H2534 PolarHBondContact OD1-CD2 3.14Å
2535R33.1Very low28.7Very low218 Ų218113.1 Ų113.182%0.82364%0.64SS**  trans-154.3126.5152.7-91-145.8171.1-174.4-5.4107.7
2536V33.4Very low28.5Very low50 Ų50113.4 Ų113.430%0.30363%0.625SS.*  cis-156.7145.4-15.3-1660000102.1E463E463-V2536 VanDerWaalsContact CD-CB 3.42Å; E463-V2536 WeakPolarHBondContact OE1-CB 3.45Å; E463-V2536 WeakPolarHBondContact OE1-CG1 3.32Å; E463-V2536 WeakPolarHBondContact OE2-CB 3.25Å; E463-V2536 WeakPolarHBondContact OE2-CG1 3.48Å; E463-V2536 VanDerWaalsContact OE2-CG2 3.25Å; E463-V2536 WeakPolarHBondContact OE2-CG2 3.35Å
2537S33Very low28.5Very low76 Ų76113.1 Ų113.153%0.53162%0.618SS.*  cis79.63930.1105.50000116.5V2539S2537-V2539 PolarHBondContact O-N 2.92Å
2538S28.7Very low28.3Very low99 Ų99115 Ų11569%0.69262%0.62SS**  trans-63.479.6153.9450000109.7E463 S2540E463-S2538 PolarHBondContact OE1-N 3.47Å; S2538-S2540 PolarHBondContact O-N 3.05Å
2539V31.8Very low28Very low100 Ų100112.4 Ų112.461%0.60662%0.616SS**  trans-76.595.9-172.9170.80000110.5S2537 S2541S2537-V2539 PolarHBondContact O-N 2.92Å; V2539-S2541 WeakPolarHBondContact CG1-OG 3.29Å; V2539-S2541 PolarHBondContact O-N 3.34Å
2540S28.7Very low28.1Very low126 Ų126114.3 Ų114.388%0.88162%0.617SS**  trans-70.268.7152.1-66.80000109.4S2538S2538-S2540 PolarHBondContact O-N 3.05Å
2541S24.9Very low28.1Very low80 Ų80115.3 Ų115.356%0.55962%0.618SS**  trans-65.4156.6158.4-86.10000109V2539V2539-S2541 WeakPolarHBondContact CG1-OG 3.29Å; V2539-S2541 PolarHBondContact O-N 3.34Å
2542S19.1Very low28Very low95 Ų95114.2 Ų114.266%0.66462%0.62SS**  trans65.8167.8165.674.60000113.4
2543I19.8Very low28.1Very low84 Ų84118 Ų11843%0.43164%0.636SS.*  cis-128.1131.815.4-79.1-174.9000111.2R2546I2543-R2546 VanDerWaalsContact CD1-NH1 3.33Å; I2543-R2546 HydrophobicContact CG2-CB 4.03Å; I2543-R2546 HydrophobicContact CG2-CG 3.65Å
2544F19.4Very low27.8Very low118 Ų118111.7 Ų111.752%0.51862%0.62SS.*  trans18.3166.5137.8-29.2157.6000121E1365 R2546E1365-F2544 HydrophobicContact CG-CE1 3.84Å; E1365-F2544 HydrophobicContact CG-CZ 4.5Å; F2544-R2546 HydrophobicContact CD1-CG 4.19Å; F2544-R2546 PolarHBondContact O-N 2.79Å
2545C29.3Very low27.6Very low117 Ų117109.3 Ų109.379%0.79161%0.613SS**SBendtrans-56.190.9131.5-59.40000110.5V2547C2545-V2547 HydrophobicContact CB-CG2 4.32Å; C2545-V2547 WeakPolarHBondContact O-CB 3.39Å; C2545-V2547 VanDerWaalsContact O-CG2 3.23Å; C2545-V2547 WeakPolarHBondContact O-CG2 3.39Å
2546R22Very low27.6Very low113 Ų113106.9 Ų106.943%0.42660%0.604SS.*  trans-84.7108.1146.9-97.2-171.1172.3163.2-14.1105.1E1365 N1366 I2543 F2544E1365-R2546 IonicContact OE1-CZ 2.61Å; E1365-R2546 IonicContact OE1-NE 3.7Å; E1365-R2546 PolarHBondContact OE1-NE 3.03Å; E1365-R2546 IonicContact OE1-NH2 3.88Å; E1365-R2546 PolarHBondContact OE1-NH2 2.7Å; N1366-R2546 PolarHBondContact OD1-NH2 3.48Å; N1366-R2546 VanDerWaalsContact OD1-NH2 3.15Å; I2543-R2546 VanDerWaalsContact CD1-NH1 3.33Å; I2543-R2546 HydrophobicContact CG2-CB 4.03Å; I2543-R2546 HydrophobicContact CG2-CG 3.65Å; F2544-R2546 HydrophobicContact CD1-CG 4.19Å; F2544-R2546 PolarHBondContact O-N 2.79Å
2547V25.7Very low27.4Very low99 Ų99110.2 Ų110.260%0.663%0.625SS**  cis55.1119.736.8-177.80000111.4C2545C2545-V2547 HydrophobicContact CB-CG2 4.32Å; C2545-V2547 WeakPolarHBondContact O-CB 3.39Å; C2545-V2547 VanDerWaalsContact O-CG2 3.23Å; C2545-V2547 WeakPolarHBondContact O-CG2 3.39Å
2548D23.7Very low27.3Very low144 Ų144111.7 Ų111.777%0.7764%0.635SS**  trans58.687.6168.5-62.1-12.4000118.7
2549S22.1Very low27.4Very low111 Ų111111.8 Ų111.878%0.77664%0.636SS**SBend-142.2124.3102.4-82.10000112.5
2550I28.4Very low27.6Very low144 Ų144115 Ų11574%0.73864%0.644SS**SBendtrans72.2118.9156.7-57.6165.6000114.8
2551Q31Very low27.8Very low158 Ų158113.5 Ų113.574%0.73863%0.634SS**  cis-175.1140.3-7.2-128170.8-4.400112
2552T30.6Very low28.3Very low94 Ų94118 Ų11858%0.57765%0.646SS**  trans61.6159.9149.149.30000121.3
2553Q31.9Very low29Very low129 Ų129121.5 Ų121.560%0.60365%0.651SS**  cis-136.3-97.18-154.2160.8-400118.8I1348I1348-Q2553 WeakPolarHBondContact CB-O 3.48Å
2554T29.7Very low29.5Very low68 Ų68121.4 Ų121.442%0.41766%0.658SS.*  trans-148.1121.6-162.645.50000122E1347 I1348 R2556E1347-T2554 VanDerWaalsContact CD-N 3.31Å; E1347-T2554 VanDerWaalsContact CG-C 3.47Å; E1347-T2554 WeakPolarHBondContact OE1-CA 3.4Å; E1347-T2554 PolarHBondContact OE1-N 3.07Å; E1347-T2554 VanDerWaalsContact OE1-O 3.05Å; E1347-T2554 PolarHBondContact OE1-OG1 2.79Å; I1348-T2554 CarbonylContact O-C 3.56Å; I1348-T2554 VanDerWaalsContact O-C 3.31Å; I1348-T2554 WeakPolarHBondContact O-CA 3.5Å; T2554-R2556 PolarHBondContact O-NH2 3.2Å; T2554-R2556 VanDerWaalsContact O-NH2 3.08Å
2555V33.1Very low30.1Very low72 Ų72126.4 Ų126.444%0.43667%0.673SS.*  trans67.8119.2152.3-171.90000122.3I1348 M1349I1348-V2555 PolarHBondContact O-N 3.33Å; M1349-V2555 HydrophobicContact CB-CG2 3.9Å; M1349-V2555 HydrophobicContact CG-CG2 3.66Å; M1349-V2555 HydrophobicContact SD-CG2 3.21Å; M1349-V2555 WeakPolarHBondContact SD-CG2 3.33Å
2556R33.2Very low30.1Very low167 Ų167125.9 Ų125.963%0.6366%0.663SS**  trans-152.3175.2153.4-126.4123.9-64.9146.57.1112.4E1347 T2554E1347-R2556 IonicContact OE1-NH2 3.83Å; E1347-R2556 IonicContact OE2-CZ 3.81Å; E1347-R2556 IonicContact OE2-NH1 2.65Å; E1347-R2556 PolarHBondContact OE2-NH1 2.89Å; E1347-R2556 IonicContact OE2-NH2 3.76Å; E1347-R2556 PolarHBondContact OE2-NH2 3.17Å; T2554-R2556 PolarHBondContact O-NH2 3.2Å; T2554-R2556 VanDerWaalsContact O-NH2 3.08Å
2557T29.5Very low30.5Very low121 Ų121127.9 Ų127.974%0.74268%0.677SS**  trans-156.3144.3-161.1520000116.3
2558S31.2Very low30.8Very low106 Ų106129.8 Ų129.874%0.74168%0.682SS**  154.7119.7117.767.20000117.9
2559S31Very low31.3Very low101 Ų101130 Ų13071%0.70668%0.681SS**  trans27.9145.4137.760.60000123.2
2560H35.5Very low31.6Very low169 Ų169128.8 Ų128.878%0.78267%0.673SS**  cis-174.8156.66.8-120.726.4000113.6
2561S33.4Very low31.6Very low94 Ų94127.5 Ų127.566%0.65767%0.672SS**  trans35.2157.8141.267.30000124.1
2562H35.3Very low31.7Very low175 Ų175127 Ų12781%0.8168%0.675SS**  cis175.8161.7-32.4-120-42.9000108.4
2563H34Very low31.7Very low168 Ų168131.7 Ų131.778%0.77869%0.687SS**  trans67.4158.1160.2-92.346.4000118.5
2564S28.8Very low31.7Very low82 Ų82132.9 Ų132.957%0.57369%0.686SS**  cis-174.6147.6-31-100.50000111.3
2565R32.1Very low31.8Very low222 Ų222134.7 Ų134.784%0.83870%0.699SS**  trans65.3122.2148.7-81.4-162.4156.6136.7-1.9122.3
2566N30Very low31.9Very low107 Ų107136.5 Ų136.557%0.57272%0.715SS**  107.9104.6120.1-77.824.8000121.9
2567Q31.2Very low31.7Very low155 Ų155132.4 Ų132.472%0.72470%0.7SS**  83.1151.9117.4-70.4175.3-40.300121.8
2568I31.3Very low31.6Very low138 Ų138134.1 Ų134.171%0.70872%0.716SS**  trans70.786.5171.4-54.8124.7000113.3
2569I33.2Very low31.6Very low148 Ų148135.5 Ų135.576%0.75972%0.715SS**  66.3105.872.8-56.5164000112.4
2570S29.3Very low31.6Very low86 Ų86137.3 Ų137.360%0.60172%0.716SS**  -174.3148.3118.7-106.80000113.1
2571T29.1Very low31.4Very low117 Ų117135.6 Ų135.672%0.71871%0.712SS**  trans47.797.415959.20000119.4
2572N33Very low31.3Very low149 Ų149138 Ų13880%0.79772%0.715SS**  -177.4133.8111-99.4-46.5000115.6
2573K29.4Very low31.1Very low192 Ų192135.7 Ų135.784%0.83571%0.709SS**  trans6.9110.8154.9-56-179.2179.7-173.80120.3
2574R31.9Very low30.9Very low154 Ų154133.5 Ų133.558%0.58171%0.705SS**  -179.4122.6122.6-112.3-178.4173.8170.7-2.5109.8H1224 S2576H1224-R2574 PolarHBondContact CD2-NH2 3.4Å; H1224-R2574 PolarHBondContact NE2-NH2 2.73Å; R2574-S2576 PolarHBondContact O-N 3.42Å
2575P33Very low31Very low106 Ų106137.2 Ų137.269%0.68871%0.714SS**  trans-67.7116149-825.4000107Y2577P2575-Y2577 HydrophobicContact CB-CD2 4.49Å; P2575-Y2577 HydrophobicContact CB-CE2 4.24Å; P2575-Y2577 PolarHBondContact O-N 3.27Å
2576S35.3Very low30.9Very low109 Ų109130.7 Ų130.776%0.76270%0.704SS**  trans-80.8104.5166.650.80000107.7R2574 S2578R2574-S2576 PolarHBondContact O-N 3.42Å; S2576-S2578 PolarHBondContact O-N 2.8Å
2577Y27.6Very low31Very low82 Ų82132.7 Ų132.732%0.32272%0.715SS.*  trans-61123174.1-80.5-107.1000110H1868 N1871 E1872 L1875 P2575H1868-Y2577 AromaticContact CE1-CD1 3.09Å; H1868-Y2577 WeakPolarHBondContact CE1-CD1 3.44Å; H1868-Y2577 AromaticContact CE1-CE1 3.43Å; H1868-Y2577 VanDerWaalsContact CE1-CE1 3.43Å; H1868-Y2577 WeakPolarHBondContact CE1-CE1 3.21Å; H1868-Y2577 AromaticContact CE1-CG 3.68Å; H1868-Y2577 AromaticContact CG-CE1 3.94Å; H1868-Y2577 AromaticContact ND1-CD1 3.59Å; H1868-Y2577 AromaticContact ND1-CE1 3.38Å; H1868-Y2577 WeakPolarHBondContact ND1-CE1 3.2Å; H1868-Y2577 AromaticContact NE2-CD1 3.44Å; H1868-Y2577 WeakPolarHBondContact NE2-CD1 3.34Å; H1868-Y2577 AromaticContact NE2-CE1 3.97Å; N1871-Y2577 VanDerWaalsContact CB-OH 3.26Å; N1871-Y2577 WeakPolarHBondContact CB-OH 3.36Å; E1872-Y2577 HydrophobicContact CG-CD1 3.42Å; E1872-Y2577 VanDerWaalsContact CG-CD1 3.42Å; E1872-Y2577 HydrophobicContact CG-CE1 3.58Å; L1875-Y2577 HydrophobicContact CD1-CE2 4.17Å; P2575-Y2577 HydrophobicContact CB-CD2 4.49Å; P2575-Y2577 HydrophobicContact CB-CE2 4.24Å; P2575-Y2577 PolarHBondContact O-N 3.27Å
2578S27.9Very low31Very low156 Ų156130.6 Ų130.6100%1.09172%0.715SS**  trans-88.50154.855.10000109.1H1868 S2576H1868-S2578 PolarHBondContact NE2-O 3.23Å; S2576-S2578 PolarHBondContact O-N 2.8Å

Retrieved 2,578 of 2,578 residues in 1770.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).