A0A3Q0KLK2_SCHMA Loading...

Uveal autoantigen with coiled-coil domains and ankyrin repeats protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KLK2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,853 aa.

>A0A3Q0KLK2_SCHMA|A0A3Q0KLK2
MSDHMAGKPNKGSIFQVEHCYGPNNSNGLGRASSLEETLGDMRRENFRLRLLLYNYERTYRQANVPQDLESSRIFAAESENILLKEALSEKDTLLNFSSKMNDQLREQINILKEKSDNIENDWRKKYDILHTEFQCAQEKVRALEMSILAKDTEFAKCKNEFQSSIARLQAELAFSQHTNKRYRREIQMFRTEADDLRATLETVNKSHVSIDVKDLKPDDLHTSEQNLWNQSPQCNLKTPTTVSSLSPSFSTSTGHEDGVVRTPLKEFNSLHNQIPSEESYAKLTDRLNSARHLILELGNEKLRTDKLIASMKSTHEKEISALKDKCELIEAQLMKENQLNHEELSRKDTEIERLNNQINELIEKLDTSLSVREKLQFDLDHLTEKFVRTKRECTDLQDQLDSLRIADQQKYIETVNVDKNNETNVMCTPHTNCTTDNQETASISRLRNLYDLIHDLMLRLNDVRFTQHSVVEMINRSLAAVDIEHSREVSPLRKAISASGGLDRPSSNIIPLSLSRTNATYGGFNTLFENMSSSINNPVASSIYDNPTSESIVSTELNETVAELRFGCPRSPVSTNLKCTSREHSYLDITKPLSRNQAMNKAAIRNISLRRKLFGASQPKSQTGNFVESSSMCEDFKTSEQNVKKSEVLFHSFTEDIHDVTFNRSTRKPINAGDLTMVEWEHKDIFERLLIAMSRLRDAIEECSDIGSEFWDLDVKKHLSVLLTSQMDSFHAHVNRPNGSIADGDGDSVDLDAKEADKIILKSADRSARFDGGQLPPFDPIGFMSQNEEASLSQLYGSAWRHPMGISTKLHDMKNLKILSEQSLNQSYTDSNGPLKESSIQLINIPNNDDKSLYEARDLNNKIITLEAENSTLQKVITDLLDKMKVSGVLNQSDHISREIIHTEPDSSISLAPYVVFENQRTEELSSVLAQCQQKNYELREQYSRLRNLLSTPSHNQNVDIGNAELSNFEIIHTIIKRLQTVVNSESESANVIDLVDTVTSELVESRDSITNLNDQLCKMEKYLSESVSLYDYQSLENEMNSLKEELHQVLEKINEYKTDVQYACDNLAPLLLFNESVALKVLVDDVIIKLNDQKNYSNSLNTEFQAILGSANCPIPETLDECIKVIKNDFSNYKVTIDQLKADKINAINMIKELAPQNEDLCTLSDYIGWFIGIFNEKQCNFENLEQNYLIIQQSLSDTVQKYENLGTTINELNDKLKISKSQVESLETELADTIKSHVPIEDYESIVTQINAVEEDLCKAQSKVTEYEQEYDFIKKLVESTLMKQSICLKHDIKELCTNFNVYKNSLGSSEAASNKFETHSTQTERDNGKLVIEQTSFINIPDTSSLINDDIVGEEDIKLKNCFANEIGSYKVNVDPQNNIQISDVGKPTPNIRKYNELKVAAFEIKNKLISRTQKLEAALKEVERLRGVIQQDKERASGALDELKDLRQKVLRKNQRIRDLENDVARLKACSSKVNVGSVQINDSSARLLSEPEQRRGCEGHLESFDQVNADQPNRVCSSITASLLRCPATPRNDSTENLLDQLADYTVSCDSVSMDNTHDPVSSINNEELAVTFHNDGCNRCHNMNKLLPELHSTTVQLKKLITLNLSNEDSLLDVLNNVEQHGSLSLSSISYSQSLVDNQVKTSHVDNIGLIDQSGIMDNMKTFIESLHYAHVRLHYYARKMDHLCMSLVNQCGKCSFKSQQVLSSNIDKSTDLLISIIRRLESLCNQNDLFSNHVIESILRDSRQLLDWIQCLGAESVNNACNLTRKEDDINTCPLEVKSLLCSGEREKLKSQIKHYRRKYHQLLQSVDIVTKNLADTTDVISSTRTRLENVAGVSPITDHSASMK
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.6Very low33.4Very low235 Ų235138.9 Ų138.9100%1.15876%0.763SS**  0129.20-60.316573.500107.1
2S28.3Very low33.3Very low103 Ų103134.3 Ų134.372%0.7277%0.771SS**  cis-163.8155.8-20.1-86.40000109
3D35Very low33.5Very low141 Ų141132.6 Ų132.675%0.75477%0.772SS**  trans109.196.9155.4-58.5-15.9000120.1
4H31.7Very low33.3Very low112 Ų112133.3 Ų133.352%0.51977%0.769SS.*  trans-83.2-177.8165.2-92.9-90.7000113H812 D813H4-H812 AromaticContact CE1-CE1 3.54Å; H4-H812 AromaticContact CE1-ND1 3.56Å; H4-H812 AromaticContact ND1-CD2 3.83Å; H4-H812 AromaticContact ND1-CE1 3.8Å; H4-H812 AromaticContact ND1-CG 3.58Å; H4-H812 AromaticContact ND1-ND1 3.55Å; H4-H812 AromaticContact ND1-NE2 3.98Å; H4-D813 IonicContact CE1-OD1 2.69Å; H4-D813 IonicContact CE1-OD2 2.65Å; H4-D813 PolarHBondContact CE1-OD2 3.21Å; H4-D813 IonicContact ND1-OD1 3.7Å; H4-D813 IonicContact ND1-OD2 3.02Å; H4-D813 PolarHBondContact ND1-OD2 3.36Å
5M33.9Very low33.1Very low137 Ų137135.6 Ų135.668%0.67577%0.767SS**  trans95.2105.2154.2-55.8-65.2178.400118K810M5-K810 PolarHBondContact O-NZ 2.84Å
6A39.8Very low33.2Very low65 Ų65138.2 Ų138.254%0.53777%0.771SS.*  179114.298.800000112.3K810A6-K810 HydrophobicContact CB-CD 4.31Å
7G34Very low33.2Very low76 Ų76136.8 Ų136.878%0.78477%0.766SS**  trans-96.9178.3176.300000115.2
8K36Very low33.1Very low208 Ų208138.6 Ų138.690%0.90477%0.768SS**  trans-141.1153.4164.4-90.8-171179177.10111.6
9P34Very low33.3Very low119 Ų119141 Ų14177%0.77377%0.772SS**  trans-102.3155.4-155.438.4-34.7000114.5
10N30.5Very low33.2Very low130 Ų130138.8 Ų138.870%0.69577%0.766SS**  trans-104.7143.5170.1-153.92.9000111N816N10-N816 WeakPolarHBondContact CB-ND2 3.33Å
11K33.1Very low33.3Very low202 Ų202143.6 Ų143.688%0.87877%0.774SS**  trans-106.4138.4-174.7-70.7179.8177.5178.80111.1
12G32.3Very low33.4Very low83 Ų83135.9 Ų135.986%0.85676%0.756SS**  trans16874173.200000112
13S35.2Very low33.9Very low113 Ų113136.5 Ų136.579%0.7976%0.757SS**  trans-85143.9-175.156.30000113.6
14I31.4Very low33.7Very low142 Ų142136.9 Ų136.973%0.72876%0.759SS**  trans-62.2146.5174.8-67.1153.5000111.9Q16I14-Q16 HydrophobicContact CG2-CB 4.29Å
15F30.1Very low33.8Very low168 Ų168138.3 Ų138.374%0.73777%0.771SS**  trans-120100.5155-99.9-80.6000108.7
16Q33.6Very low33.7Very low177 Ų177136.2 Ų136.283%0.82777%0.769SS**  trans-135.5132.8158.1-86-172.5-13.900107.2I14I14-Q16 HydrophobicContact CG2-CB 4.29Å
17V33.5Very low33.3Very low114 Ų114141.2 Ų141.269%0.69179%0.787SS**  trans-96.8122.8-177.1172.60000107.9
18E32.7Very low33.3Very low170 Ų170141.1 Ų141.179%0.79479%0.786SS**  trans-67.8152.7174.1-67-178.9126.900111.8
19H36.9Very low33.2Very low184 Ų184139.7 Ų139.785%0.85279%0.787SS**  trans-136.3129.7144-121.1-77.1000110.1
20C30.4Very low33Very low96 Ų96137.7 Ų137.765%0.64979%0.788SS**  trans-74.8160.6-162-37.80000114.3
21Y34.8Very low33.2Very low240 Ų240143.3 Ų143.394%0.94180%0.8SS**  -175.9137.1123.7-95.2-63.9000112.4
22G34.5Very low33.3Very low74 Ų74138.6 Ų138.676%0.76380%0.799SS**  trans107.7104.6159.300000117.5
23P38Very low33.8Very low115 Ų115138.7 Ų138.775%0.74779%0.786SS**  trans-102.6159-17838.3-33.5000114.2
24N31.6Very low35Very low149 Ų149136.1 Ų136.180%0.79777%0.768SS**  trans-174.6144.1131.7-92.8-28.2000114
25N33Very low36.3Very low143 Ų143136.8 Ų136.877%0.76577%0.772SS**  trans60.588.2162.8-58.1-9.4000118.3
26S31.9Very low38.1Very low93 Ų93136.4 Ų136.465%0.6577%0.773SS**  90.29763.370.80000115.2
27N32.4Very low39.7Very low169 Ų169133.1 Ų133.190%0.90476%0.757SS**  172.6126.9116.7-86.7-22.6000111.7
28G32.8Very low41.4Very low74 Ų74131.3 Ų131.376%0.76375%0.747SS**  trans133.985.616700000115.8
29L34.5Very low43.5Very low179 Ų179126.9 Ų126.994%0.93773%0.728SS**  trans-43.2146.8171.7-61.771.1000112.9
30G30.3Very low45.7Very low77 Ų77119 Ų11979%0.79470%0.697SS**  cis133.4113.912.500000110.1
31R35.1Very low47.9Very low248 Ų248118 Ų11894%0.93669%0.685SS**  trans-145.9111.4171.2-149.7-178.9-151.7-1425.9108.9S33R31-S33 PolarHBondContact O-N 2.96Å
32A34.1Very low50.1Low103 Ų103112.8 Ų112.885%0.85167%0.671SS**PPolyproline II helixtrans-69124.8-176.100000111.4
33S42.8Very low52.4Low84 Ų84117.8 Ų117.859%0.58767%0.667SS**PPolyproline II helixtrans-61.6150.9157.636.10000109.7R31 E37R31-S33 PolarHBondContact O-N 2.96Å; S33-E37 WeakPolarHBondContact CB-OE2 3.38Å
34S60.1Low54.7Low60 Ų60118.3 Ų118.342%0.4265%0.654SS.*PPolyproline II helixtrans-81.8156.7-170.480.50000112.3E36 E37 T38S34-E36 PolarHBondContact O-N 3.12Å; S34-E36 WeakPolarHBondContact OG-CB 3.37Å; S34-E36 PolarHBondContact OG-N 3.37Å; S34-E37 WeakPolarHBondContact O-CB 3.48Å; S34-E37 PolarHBondContact O-N 2.65Å; S34-E37 VanDerWaalsContact O-N 3.07Å; S34-E37 PolarHBondContact OG-N 3.06Å; S34-T38 PolarHBondContact O-N 3.12Å; S34-T38 PolarHBondContact O-OG1 3Å
35L59.9Low57.1Low155 Ų155114 Ų11481%0.81263%0.629SS**Hα-helixtrans-51-31169.7-173.472.9000112.2L39L35-L39 WeakPolarHBondContact O-CB 3.29Å; L35-L39 PolarHBondContact O-N 3.2Å
36E66.6Low59.6Low161 Ų161111.2 Ų111.275%0.75261%0.614SS**Hα-helixtrans-75.9-32.5-176.8-154.8160.1-148.700112.4S34 G40S34-E36 PolarHBondContact O-N 3.12Å; S34-E36 WeakPolarHBondContact OG-CB 3.37Å; S34-E36 PolarHBondContact OG-N 3.37Å; E36-G40 PolarHBondContact O-N 3.31Å
37E67.8Low62.2Low107 Ų107113.4 Ų113.450%0.561%0.612SS.*Hα-helixtrans-67.2-48.6171-167163.3-152.300110.3S33 S34 L39 G40 D41S33-E37 WeakPolarHBondContact CB-OE2 3.38Å; S34-E37 WeakPolarHBondContact O-CB 3.48Å; S34-E37 PolarHBondContact O-N 2.65Å; S34-E37 VanDerWaalsContact O-N 3.07Å; S34-E37 PolarHBondContact OG-N 3.06Å; E37-L39 VanDerWaalsContact C-N 3.32Å; E37-L39 PolarHBondContact O-N 2.73Å; E37-G40 CarbonylContact O-C 3.58Å; E37-G40 VanDerWaalsContact O-CA 3.31Å; E37-G40 WeakPolarHBondContact O-CA 3.35Å; E37-G40 PolarHBondContact O-N 3.04Å; E37-D41 PolarHBondContact O-N 3.4Å
38T69.8Low64.8Low77 Ų77112.3 Ų112.347%0.47260%0.595SS.*Hα-helixtrans-57.6-41.3174.5-25.20000112.5S34 G40 D41 M42S34-T38 PolarHBondContact O-N 3.12Å; S34-T38 PolarHBondContact O-OG1 3Å; T38-G40 VanDerWaalsContact C-N 3.32Å; T38-D41 PolarHBondContact O-N 3.37Å; T38-M42 PolarHBondContact O-N 2.79Å
39L76.7Confident67.2Low77 Ų77112.7 Ų112.740%0.40358%0.579SS.*Hα-helixtrans-68.9-31.7175-163.277.8000112L35 E37 R43L35-L39 WeakPolarHBondContact O-CB 3.29Å; L35-L39 PolarHBondContact O-N 3.2Å; E37-L39 VanDerWaalsContact C-N 3.32Å; E37-L39 PolarHBondContact O-N 2.73Å; L39-R43 VanDerWaalsContact O-CG 3.28Å; L39-R43 WeakPolarHBondContact O-CG 3.41Å; L39-R43 PolarHBondContact O-N 3.4Å; L39-R43 VanDerWaalsContact O-N 3.09Å
40G83.1Confident69.7Low19 Ų19112.3 Ų112.320%0.19657%0.565CS.*Hα-helixtrans-63.2-45.2172.200000112.3E36 E37 T38 R43 R44E36-G40 PolarHBondContact O-N 3.31Å; E37-G40 CarbonylContact O-C 3.58Å; E37-G40 VanDerWaalsContact O-CA 3.31Å; E37-G40 WeakPolarHBondContact O-CA 3.35Å; E37-G40 PolarHBondContact O-N 3.04Å; T38-G40 VanDerWaalsContact C-N 3.32Å; G40-R43 PolarHBondContact O-N 2.79Å; G40-R44 WeakPolarHBondContact O-CG 3.36Å; G40-R44 PolarHBondContact O-N 2.98Å
41D77.3Confident72.2Confident73 Ų73112.9 Ų112.939%0.3955%0.55SS..Hα-helixtrans-67-43.1176.6-69.7-44.9000112.6E37 T38 R43 R44 E45E37-D41 PolarHBondContact O-N 3.4Å; T38-D41 PolarHBondContact O-N 3.37Å; D41-R43 PolarHBondContact O-N 2.79Å; D41-R44 VanDerWaalsContact CG-NH2 3.34Å; D41-R44 WeakPolarHBondContact O-CB 3.38Å; D41-R44 PolarHBondContact O-N 3.22Å; D41-R44 VanDerWaalsContact O-N 3.14Å; D41-R44 IonicContact OD1-CZ 2.67Å; D41-R44 IonicContact OD1-NE 2.67Å; D41-R44 PolarHBondContact OD1-NE 3.43Å; D41-R44 IonicContact OD1-NH2 2.65Å; D41-R44 PolarHBondContact OD1-NH2 2.82Å; D41-R44 IonicContact OD2-NH2 3.53Å; D41-E45 PolarHBondContact O-N 3.28Å
42M79.6Confident74.4Confident132 Ų132106.3 Ų106.365%0.6553%0.533SS*.Hα-helixtrans-57.1-37171.4-78.6-179.657.200112.8T38 N46T38-M42 PolarHBondContact O-N 2.79Å; M42-N46 WeakPolarHBondContact O-CB 3.27Å; M42-N46 PolarHBondContact O-N 2.88Å
43R83.4Confident76.6Confident178 Ų178107.3 Ų107.367%0.67252%0.523SS*.Hα-helixtrans-71.1-40.6176-75.4171.6179.1-178.72112.1L39 G40 D41 F47L39-R43 VanDerWaalsContact O-CG 3.28Å; L39-R43 WeakPolarHBondContact O-CG 3.41Å; L39-R43 PolarHBondContact O-N 3.4Å; L39-R43 VanDerWaalsContact O-N 3.09Å; G40-R43 PolarHBondContact O-N 2.79Å; D41-R43 PolarHBondContact O-N 2.79Å; R43-F47 WeakPolarHBondContact O-CB 3.21Å; R43-F47 PolarHBondContact O-N 3.12Å
44R85.3Confident78.4Confident127 Ų127110.2 Ų110.248%0.47952%0.522SS..Hα-helixtrans-59.2-47.3173.7-76.6-176.7-86-97.87.8111.1G40 D41 F47 R48G40-R44 WeakPolarHBondContact O-CG 3.36Å; G40-R44 PolarHBondContact O-N 2.98Å; D41-R44 VanDerWaalsContact CG-NH2 3.34Å; D41-R44 WeakPolarHBondContact O-CB 3.38Å; D41-R44 PolarHBondContact O-N 3.22Å; D41-R44 VanDerWaalsContact O-N 3.14Å; D41-R44 IonicContact OD1-CZ 2.67Å; D41-R44 IonicContact OD1-NE 2.67Å; D41-R44 PolarHBondContact OD1-NE 3.43Å; D41-R44 IonicContact OD1-NH2 2.65Å; D41-R44 PolarHBondContact OD1-NH2 2.82Å; D41-R44 IonicContact OD2-NH2 3.53Å; R44-F47 WeakPolarHBondContact O-CB 3.49Å; R44-F47 PolarHBondContact O-N 3.26Å; R44-R48 PolarHBondContact O-N 3.19Å
45E82.3Confident79.2Confident59 Ų59111.1 Ų111.128%0.27652%0.522SS..Hα-helixtrans-72.7-36.4-178.5-168.557.2-161.100112.7D41 F47 R48 L49D41-E45 PolarHBondContact O-N 3.28Å; E45-F47 VanDerWaalsContact C-N 3.28Å; E45-F47 PolarHBondContact O-N 2.85Å; E45-R48 VanDerWaalsContact CD-NE 3.34Å; E45-R48 PolarHBondContact O-N 3.44Å; E45-R48 IonicContact OE1-CZ 3.61Å; E45-R48 VanDerWaalsContact OE1-CZ 3.31Å; E45-R48 IonicContact OE1-NE 3.76Å; E45-R48 PolarHBondContact OE1-NE 3.04Å; E45-R48 VanDerWaalsContact OE1-NE 3.09Å; E45-R48 IonicContact OE1-NH2 2.66Å; E45-R48 PolarHBondContact OE1-NH2 2.93Å; E45-R48 WeakPolarHBondContact OE2-CD 3.49Å; E45-R48 IonicContact OE2-CZ 2.69Å; E45-R48 IonicContact OE2-NE 2.96Å; E45-R48 PolarHBondContact OE2-NE 3.47Å; E45-R48 IonicContact OE2-NH2 3.2Å; E45-L49 HydrophobicContact CG-CD1 4.37Å; E45-L49 WeakPolarHBondContact O-CB 3.4Å; E45-L49 WeakPolarHBondContact O-CG 3.34Å; E45-L49 PolarHBondContact O-N 3.18Å
46N86Confident79.9Confident83 Ų83111.6 Ų111.644%0.44451%0.514SS..Hα-helixtrans-62.1-36.6172.3-159-90.4000112M42 R50M42-N46 WeakPolarHBondContact O-CB 3.27Å; M42-N46 PolarHBondContact O-N 2.88Å; N46-R50 VanDerWaalsContact O-CG 3.29Å; N46-R50 WeakPolarHBondContact O-CG 3.41Å; N46-R50 PolarHBondContact O-N 3.49Å; N46-R50 VanDerWaalsContact O-N 3.12Å; N46-R50 PolarHBondContact OD1-NE 2.91Å
47F86.7Confident80.3Confident140 Ų140108.3 Ų108.361%0.61450%0.499SS*.Hα-helixtrans-66.6-45173-178.4-96.1000111.7R43 R44 E45 L49 R50 L51R43-F47 WeakPolarHBondContact O-CB 3.21Å; R43-F47 PolarHBondContact O-N 3.12Å; R44-F47 WeakPolarHBondContact O-CB 3.49Å; R44-F47 PolarHBondContact O-N 3.26Å; E45-F47 VanDerWaalsContact C-N 3.28Å; E45-F47 PolarHBondContact O-N 2.85Å; F47-L49 PolarHBondContact O-N 3.03Å; F47-R50 PolarHBondContact O-N 2.88Å; F47-L51 PolarHBondContact O-N 3.36Å
48R85.9Confident80.6Confident145 Ų145109.7 Ų109.755%0.54750%0.499SS..Hα-helixtrans-59.3-43.6177.4-157.8-178.773.893.24.4112.1R44 E45 L51 L52R44-R48 PolarHBondContact O-N 3.19Å; E45-R48 VanDerWaalsContact CD-NE 3.34Å; E45-R48 PolarHBondContact O-N 3.44Å; E45-R48 IonicContact OE1-CZ 3.61Å; E45-R48 VanDerWaalsContact OE1-CZ 3.31Å; E45-R48 IonicContact OE1-NE 3.76Å; E45-R48 PolarHBondContact OE1-NE 3.04Å; E45-R48 VanDerWaalsContact OE1-NE 3.09Å; E45-R48 IonicContact OE1-NH2 2.66Å; E45-R48 PolarHBondContact OE1-NH2 2.93Å; E45-R48 WeakPolarHBondContact OE2-CD 3.49Å; E45-R48 IonicContact OE2-CZ 2.69Å; E45-R48 IonicContact OE2-NE 2.96Å; E45-R48 PolarHBondContact OE2-NE 3.47Å; E45-R48 IonicContact OE2-NH2 3.2Å; R48-L51 PolarHBondContact O-N 3.48Å; R48-L52 PolarHBondContact O-N 2.64Å
49L85.2Confident80.6Confident82 Ų82110 Ų11043%0.42950%0.501SS..Hα-helixtrans-65.3-39.3176-71.6170.1000112.9E45 F47 L51 L52 L53E45-L49 HydrophobicContact CG-CD1 4.37Å; E45-L49 WeakPolarHBondContact O-CB 3.4Å; E45-L49 WeakPolarHBondContact O-CG 3.34Å; E45-L49 PolarHBondContact O-N 3.18Å; F47-L49 PolarHBondContact O-N 3.03Å; L49-L51 VanDerWaalsContact C-N 3.35Å; L49-L52 PolarHBondContact O-N 2.66Å; L49-L53 WeakPolarHBondContact O-CG 3.23Å; L49-L53 PolarHBondContact O-N 3.28Å
50R85.1Confident80.3Confident172 Ų172113.3 Ų113.365%0.64951%0.51SS*.Hα-helixtrans-64.1-39.5173.5-74.1171.1-175-117.20.1112.1N46 F47 L53 Y54N46-R50 VanDerWaalsContact O-CG 3.29Å; N46-R50 WeakPolarHBondContact O-CG 3.41Å; N46-R50 PolarHBondContact O-N 3.49Å; N46-R50 VanDerWaalsContact O-N 3.12Å; N46-R50 PolarHBondContact OD1-NE 2.91Å; F47-R50 PolarHBondContact O-N 2.88Å; R50-L53 PolarHBondContact O-N 2.83Å; R50-Y54 WeakPolarHBondContact O-CB 3.42Å; R50-Y54 PolarHBondContact O-N 2.94Å
51L83.3Confident79.7Confident88 Ų88120.2 Ų120.246%0.46153%0.53SS..Hα-helixtrans-66.4-40.5177-157.377.9000111.4F47 R48 L49 Y54 N55F47-L51 PolarHBondContact O-N 3.36Å; R48-L51 PolarHBondContact O-N 3.48Å; L49-L51 VanDerWaalsContact C-N 3.35Å; L51-Y54 PolarHBondContact O-N 3.11Å; L51-N55 WeakPolarHBondContact O-CB 3.39Å; L51-N55 VanDerWaalsContact O-CG 3.3Å; L51-N55 PolarHBondContact O-N 3.22Å
52L81.5Confident78.8Confident111 Ų111121.6 Ų121.658%0.58153%0.534SS*.Hα-helixtrans-62.3-46.6174.7-164.278.7000111.6R48 L49 N55 Y56R48-L52 PolarHBondContact O-N 2.64Å; L49-L52 PolarHBondContact O-N 2.66Å; L52-N55 PolarHBondContact O-N 3.06Å; L52-Y56 WeakPolarHBondContact O-CB 3.23Å; L52-Y56 PolarHBondContact O-N 3.1Å
53L79.7Confident77.7Confident123 Ų123119.2 Ų119.264%0.64454%0.535SS*.Hα-helixtrans-62.4-41.1175.8-78166.2000112.4L49 R50 Y56 E57L49-L53 WeakPolarHBondContact O-CG 3.23Å; L49-L53 PolarHBondContact O-N 3.28Å; R50-L53 PolarHBondContact O-N 2.83Å; L53-Y56 PolarHBondContact O-N 2.88Å; L53-E57 WeakPolarHBondContact O-CB 3.32Å; L53-E57 PolarHBondContact O-N 2.87Å
54Y81.1Confident76.3Confident145 Ų145115.6 Ų115.657%0.56953%0.529SS*.Hα-helixtrans-63.3-43.4175.5176.9-98.6000112.2R50 L51 E57 R58R50-Y54 WeakPolarHBondContact O-CB 3.42Å; R50-Y54 PolarHBondContact O-N 2.94Å; L51-Y54 PolarHBondContact O-N 3.11Å; Y54-E57 PolarHBondContact O-N 3.32Å; Y54-R58 VanDerWaalsContact O-CB 3.3Å; Y54-R58 WeakPolarHBondContact O-CB 3.45Å; Y54-R58 PolarHBondContact O-N 3.18Å
55N77.5Confident74.7Confident79 Ų79114.3 Ų114.342%0.42254%0.535SS..Hα-helixtrans-66-39.7176.4-72.2-14.4000111.9L51 L52 R58 T59L51-N55 WeakPolarHBondContact O-CB 3.39Å; L51-N55 VanDerWaalsContact O-CG 3.3Å; L51-N55 PolarHBondContact O-N 3.22Å; L52-N55 PolarHBondContact O-N 3.06Å; N55-R58 PolarHBondContact O-N 3.5Å; N55-T59 PolarHBondContact O-N 2.89Å; N55-T59 PolarHBondContact O-OG1 3.05Å
56Y74.1Confident72.7Confident166 Ų166116.7 Ų116.765%0.65156%0.556SS**Hα-helixtrans-66.2-42.8175.6-162.6-86.7000111.6L52 L53 R58 T59 Y60L52-Y56 WeakPolarHBondContact O-CB 3.23Å; L52-Y56 PolarHBondContact O-N 3.1Å; L53-Y56 PolarHBondContact O-N 2.88Å; Y56-R58 VanDerWaalsContact C-N 3.34Å; Y56-R58 PolarHBondContact O-N 3.38Å; Y56-T59 WeakPolarHBondContact CA-OG1 3.43Å; Y56-T59 PolarHBondContact O-N 3.05Å; Y56-T59 PolarHBondContact O-OG1 3.36Å; Y56-T59 VanDerWaalsContact O-OG1 3.07Å; Y56-Y60 WeakPolarHBondContact O-CB 3.49Å; Y56-Y60 PolarHBondContact O-N 2.94Å
57E75.8Confident70.6Confident92 Ų92122.3 Ų122.343%0.4358%0.579SS.*Hα-helixtrans-65-38.2174.7-166.6-174.216500111.6L53 Y54 Y60 R61L53-E57 WeakPolarHBondContact O-CB 3.32Å; L53-E57 PolarHBondContact O-N 2.87Å; Y54-E57 PolarHBondContact O-N 3.32Å; E57-Y60 PolarHBondContact O-N 3.44Å; E57-R61 HydrophobicContact CG-CG 4.48Å; E57-R61 WeakPolarHBondContact O-CB 3.42Å; E57-R61 VanDerWaalsContact O-CG 3.31Å; E57-R61 WeakPolarHBondContact O-CG 3.45Å; E57-R61 PolarHBondContact O-N 3.23Å; E57-R61 IonicContact OE1-CZ 2.65Å; E57-R61 IonicContact OE1-NE 2.69Å; E57-R61 PolarHBondContact OE1-NE 2.9Å; E57-R61 IonicContact OE1-NH2 2.67Å; E57-R61 PolarHBondContact OE1-NH2 2.79Å
58R74Confident68.9Low135 Ų135121 Ų12151%0.50958%0.578SS.*Hα-helixtrans-62.7-48.7175.9-177.8178.3173.2176.6-0.5111.8Y54 N55 Y56 R61 Q62Y54-R58 VanDerWaalsContact O-CB 3.3Å; Y54-R58 WeakPolarHBondContact O-CB 3.45Å; Y54-R58 PolarHBondContact O-N 3.18Å; N55-R58 PolarHBondContact O-N 3.5Å; Y56-R58 VanDerWaalsContact C-N 3.34Å; Y56-R58 PolarHBondContact O-N 3.38Å; R58-R61 PolarHBondContact O-N 2.88Å; R58-Q62 WeakPolarHBondContact O-CG 3.18Å; R58-Q62 PolarHBondContact O-N 2.88Å
59T70Confident67.5Low83 Ų83120.3 Ų120.351%0.50959%0.585SS.*Hα-helixtrans-65.1-40.9175.437.40000112N55 Y56 R61 Q62 A63N55-T59 PolarHBondContact O-N 2.89Å; N55-T59 PolarHBondContact O-OG1 3.05Å; Y56-T59 WeakPolarHBondContact CA-OG1 3.43Å; Y56-T59 PolarHBondContact O-N 3.05Å; Y56-T59 PolarHBondContact O-OG1 3.36Å; Y56-T59 VanDerWaalsContact O-OG1 3.07Å; T59-R61 VanDerWaalsContact C-N 3.34Å; T59-R61 PolarHBondContact O-N 3.26Å; T59-Q62 PolarHBondContact O-N 2.83Å; T59-A63 WeakPolarHBondContact O-CB 3.33Å; T59-A63 PolarHBondContact O-N 3.19Å
60Y70.5Confident66.3Low148 Ų148120.9 Ų120.958%0.5859%0.586SS**Hα-helixtrans-64.8-34.5176.3-173.3-94.4000113.3Y56 E57 N64Y56-Y60 WeakPolarHBondContact O-CB 3.49Å; Y56-Y60 PolarHBondContact O-N 2.94Å; E57-Y60 PolarHBondContact O-N 3.44Å; Y60-N64 PolarHBondContact O-ND2 2.93Å
61R68.5Low65.1Low164 Ų164116 Ų11662%0.61958%0.578SS**Hα-helixtrans-72.1-42.6171.3-74.3179.1-175.5-121.89.5111.6E57 R58 T59 A63 N64E57-R61 HydrophobicContact CG-CG 4.48Å; E57-R61 WeakPolarHBondContact O-CB 3.42Å; E57-R61 VanDerWaalsContact O-CG 3.31Å; E57-R61 WeakPolarHBondContact O-CG 3.45Å; E57-R61 PolarHBondContact O-N 3.23Å; E57-R61 IonicContact OE1-CZ 2.65Å; E57-R61 IonicContact OE1-NE 2.69Å; E57-R61 PolarHBondContact OE1-NE 2.9Å; E57-R61 IonicContact OE1-NH2 2.67Å; E57-R61 PolarHBondContact OE1-NH2 2.79Å; R58-R61 PolarHBondContact O-N 2.88Å; T59-R61 VanDerWaalsContact C-N 3.34Å; T59-R61 PolarHBondContact O-N 3.26Å; R61-A63 VanDerWaalsContact C-N 3.29Å; R61-A63 PolarHBondContact O-N 3.4Å; R61-N64 PolarHBondContact O-N 2.88Å
62Q58.8Low64.2Low101 Ų101116 Ų11647%0.47259%0.585SS.*Hα-helixtrans-61.5-35.5176-79.6177-84.700112.5R58 T59 N64R58-Q62 WeakPolarHBondContact O-CG 3.18Å; R58-Q62 PolarHBondContact O-N 2.88Å; T59-Q62 PolarHBondContact O-N 2.83Å; Q62-N64 VanDerWaalsContact C-N 3.29Å; Q62-N64 PolarHBondContact O-N 3.35Å
63A56.1Low63.7Low82 Ų82117.6 Ų117.668%0.67858%0.584SS**THydrogen-bonded Turntrans-73-13.4178.400000115.1T59 R61T59-A63 WeakPolarHBondContact O-CB 3.33Å; T59-A63 PolarHBondContact O-N 3.19Å; R61-A63 VanDerWaalsContact C-N 3.29Å; R61-A63 PolarHBondContact O-N 3.4Å
64N54.9Low63.3Low103 Ų103115.3 Ų115.355%0.55157%0.571SS**THydrogen-bonded Turntrans-115.69.1-172.2-82.8-52000114.7Y60 R61 Q62Y60-N64 PolarHBondContact O-ND2 2.93Å; R61-N64 PolarHBondContact O-N 2.88Å; Q62-N64 VanDerWaalsContact C-N 3.29Å; Q62-N64 PolarHBondContact O-N 3.35Å
65V51.7Low62.9Low99 Ų99115.5 Ų115.560%0.658%0.575SS**SBendtrans-97120173.91780000109.6
66P39.3Very low62.8Low109 Ų109114.1 Ų114.171%0.70858%0.575SS**  trans-77.8132.6-177.730.5-33.8000112.1
67Q42Very low62.9Low201 Ų201108.3 Ų108.394%0.93956%0.561SS**  trans40.585.7159.3-68-178.7-31.400116.5
68D51.8Low62.9Low112 Ų112108.4 Ų108.460%0.59956%0.561SS**  trans-133.7143.2159.7-147.5-19.9000111.4E70 S71D68-E70 PolarHBondContact O-N 3.21Å; D68-E70 VanDerWaalsContact O-N 3.15Å; D68-S71 PolarHBondContact O-N 2.99Å; D68-S71 VanDerWaalsContact O-N 3.08Å
69L57.6Low63Low132 Ų132104.4 Ų104.469%0.69155%0.554SS**Hα-helixtrans-59.9-31-172.3-157.581.5000111.3S71 S72 R73L69-S71 VanDerWaalsContact C-N 3.33Å; L69-S71 PolarHBondContact O-N 3.29Å; L69-S72 PolarHBondContact O-N 3.36Å; L69-R73 WeakPolarHBondContact O-CG 3.48Å; L69-R73 PolarHBondContact O-N 3.39Å; L69-R73 VanDerWaalsContact O-N 3.1Å
70E58.9Low63.6Low94 Ų94106.2 Ų106.244%0.43956%0.557SS.*Hα-helixtrans-65.7-31.8-180-150.666.4179.900112.8D68 S72 R73 I74D68-E70 PolarHBondContact O-N 3.21Å; D68-E70 VanDerWaalsContact O-N 3.15Å; E70-S72 VanDerWaalsContact C-N 3.35Å; E70-S72 PolarHBondContact O-N 3.37Å; E70-R73 PolarHBondContact O-N 2.94Å; E70-R73 IonicContact OE1-NH1 3.95Å; E70-R73 PolarHBondContact OE1-NH1 2.76Å; E70-R73 IonicContact OE2-CZ 3.2Å; E70-R73 IonicContact OE2-NH1 2.89Å; E70-R73 PolarHBondContact OE2-NH1 3.02Å; E70-I74 HydrophobicContact CG-CD1 4.22Å; E70-I74 WeakPolarHBondContact O-CB 3.3Å; E70-I74 VanDerWaalsContact O-CG1 3.24Å; E70-I74 WeakPolarHBondContact O-CG1 3.41Å; E70-I74 PolarHBondContact O-N 2.95Å
71S59Low64.1Low70 Ų70103.4 Ų103.449%0.4955%0.552SS.*Hα-helixtrans-68-35.1175.7-61.90000112.2D68 L69 F75D68-S71 PolarHBondContact O-N 2.99Å; D68-S71 VanDerWaalsContact O-N 3.08Å; L69-S71 VanDerWaalsContact C-N 3.33Å; L69-S71 PolarHBondContact O-N 3.29Å; S71-F75 WeakPolarHBondContact O-CB 3.49Å; S71-F75 PolarHBondContact O-N 3.34Å
72S65.5Low64.8Low87 Ų87100.1 Ų100.161%0.60855%0.546SS*.Hα-helixtrans-71.7-36.2173.8-620000111.8L69 E70 A76L69-S72 PolarHBondContact O-N 3.36Å; E70-S72 VanDerWaalsContact C-N 3.35Å; E70-S72 PolarHBondContact O-N 3.37Å; S72-A76 WeakPolarHBondContact O-CB 3.26Å; S72-A76 PolarHBondContact O-N 3.23Å
73R71.2Confident66Low145 Ų145100.6 Ų100.655%0.54755%0.551SS.*Hα-helixtrans-67.8-40.6174.4-68.3176.369.5-137.8-1.1112.3L69 E70 A76 A77L69-R73 WeakPolarHBondContact O-CG 3.48Å; L69-R73 PolarHBondContact O-N 3.39Å; L69-R73 VanDerWaalsContact O-N 3.1Å; E70-R73 PolarHBondContact O-N 2.94Å; E70-R73 IonicContact OE1-NH1 3.95Å; E70-R73 PolarHBondContact OE1-NH1 2.76Å; E70-R73 IonicContact OE2-CZ 3.2Å; E70-R73 IonicContact OE2-NH1 2.89Å; E70-R73 PolarHBondContact OE2-NH1 3.02Å; R73-A76 PolarHBondContact O-N 2.91Å; R73-A77 VanDerWaalsContact O-CB 3.32Å; R73-A77 WeakPolarHBondContact O-CB 3.46Å; R73-A77 PolarHBondContact O-N 2.9Å
74I70.8Confident67.3Low75 Ų75101.1 Ų101.139%0.38554%0.542SS..Hα-helixtrans-65.9-45.7174.6-69.7165.4000110.1E70 A76 A77 E78E70-I74 HydrophobicContact CG-CD1 4.22Å; E70-I74 WeakPolarHBondContact O-CB 3.3Å; E70-I74 VanDerWaalsContact O-CG1 3.24Å; E70-I74 WeakPolarHBondContact O-CG1 3.41Å; E70-I74 PolarHBondContact O-N 2.95Å; I74-A76 VanDerWaalsContact C-N 3.35Å; I74-A76 PolarHBondContact O-N 3.35Å; I74-A77 CarbonylContact O-C 3.6Å; I74-A77 PolarHBondContact O-N 3.33Å; I74-E78 HydrophobicContact CG2-CG 4.17Å; I74-E78 VanDerWaalsContact O-CB 3.32Å; I74-E78 WeakPolarHBondContact O-CB 3.28Å; I74-E78 WeakPolarHBondContact O-CG 3.4Å; I74-E78 PolarHBondContact O-N 3.49Å
75F72.1Confident68.8Low149 Ų149102.7 Ų102.765%0.65454%0.544SS*.Hα-helixtrans-62.4-40.5176.9-171.6-95.4000112.3S71 E78 S79S71-F75 WeakPolarHBondContact O-CB 3.49Å; S71-F75 PolarHBondContact O-N 3.34Å; F75-E78 PolarHBondContact O-N 3.46Å; F75-S79 WeakPolarHBondContact O-CB 3.4Å; F75-S79 PolarHBondContact O-N 3.49Å; F75-S79 PolarHBondContact O-OG 2.88Å
76A75.8Confident70.3Confident50 Ų50103.3 Ų103.341%0.41354%0.54SS..Hα-helixtrans-61.1-49.517300000111.5S72 R73 I74 E78 S79 E80S72-A76 WeakPolarHBondContact O-CB 3.26Å; S72-A76 PolarHBondContact O-N 3.23Å; R73-A76 PolarHBondContact O-N 2.91Å; I74-A76 VanDerWaalsContact C-N 3.35Å; I74-A76 PolarHBondContact O-N 3.35Å; A76-E78 VanDerWaalsContact C-N 3.33Å; A76-E78 PolarHBondContact O-N 2.93Å; A76-S79 PolarHBondContact O-N 3.01Å; A76-S79 PolarHBondContact O-OG 3.4Å; A76-E80 WeakPolarHBondContact O-CB 3.1Å; A76-E80 PolarHBondContact O-N 2.93Å
77A76.1Confident72.5Confident44 Ų44100.1 Ų100.136%0.36452%0.523SS..Hα-helixtrans-67.8-27.7178.600000113.9R73 I74 N81R73-A77 VanDerWaalsContact O-CB 3.32Å; R73-A77 WeakPolarHBondContact O-CB 3.46Å; R73-A77 PolarHBondContact O-N 2.9Å; I74-A77 CarbonylContact O-C 3.6Å; I74-A77 PolarHBondContact O-N 3.33Å; A77-N81 WeakPolarHBondContact O-CB 3.32Å; A77-N81 PolarHBondContact O-N 3.48Å; A77-N81 PolarHBondContact O-ND2 2.9Å
78E76.1Confident74.5Confident93 Ų9395.7 Ų95.744%0.43551%0.505SS..Hα-helixtrans-72.9-42171-77.5179.6166.900110.6I74 F75 A76 N81 I82I74-E78 HydrophobicContact CG2-CG 4.17Å; I74-E78 VanDerWaalsContact O-CB 3.32Å; I74-E78 WeakPolarHBondContact O-CB 3.28Å; I74-E78 WeakPolarHBondContact O-CG 3.4Å; I74-E78 PolarHBondContact O-N 3.49Å; F75-E78 PolarHBondContact O-N 3.46Å; A76-E78 VanDerWaalsContact C-N 3.33Å; A76-E78 PolarHBondContact O-N 2.93Å; E78-N81 PolarHBondContact O-N 3.05Å; E78-I82 VanDerWaalsContact O-CG1 3.3Å; E78-I82 WeakPolarHBondContact O-CG1 3.31Å; E78-I82 PolarHBondContact O-N 3.33Å
79S76.6Confident76Confident51 Ų5193.5 Ų93.536%0.35750%0.499SS..Hα-helixtrans-64.3-39.7173.474.20000112.3F75 A76 I82 L83F75-S79 WeakPolarHBondContact O-CB 3.4Å; F75-S79 PolarHBondContact O-N 3.49Å; F75-S79 PolarHBondContact O-OG 2.88Å; A76-S79 PolarHBondContact O-N 3.01Å; A76-S79 PolarHBondContact O-OG 3.4Å; S79-I82 PolarHBondContact O-N 3.25Å; S79-L83 WeakPolarHBondContact O-CG 3.43Å; S79-L83 PolarHBondContact O-N 3.48Å
80E82.1Confident77.3Confident121 Ų12193.1 Ų93.157%0.56549%0.493SS*.Hα-helixtrans-66.6-39.3173.1-171.1177.4-167.200111.2A76 I82 L83 L84A76-E80 WeakPolarHBondContact O-CB 3.1Å; A76-E80 PolarHBondContact O-N 2.93Å; E80-I82 VanDerWaalsContact C-N 3.32Å; E80-I82 PolarHBondContact O-N 3.25Å; E80-L83 PolarHBondContact O-N 2.86Å; E80-L84 HydrophobicContact CG-CD1 4.16Å; E80-L84 VanDerWaalsContact O-CB 3.31Å; E80-L84 WeakPolarHBondContact O-CB 3.43Å; E80-L84 VanDerWaalsContact O-CG 3.24Å; E80-L84 WeakPolarHBondContact O-CG 3.41Å; E80-L84 PolarHBondContact O-N 3.31Å
81N82Confident78.6Confident89 Ų8995.5 Ų95.548%0.47650%0.502SS..Hα-helixtrans-64.5-33.4172.1-105.9-89000113.3A77 E78 K85A77-N81 WeakPolarHBondContact O-CB 3.32Å; A77-N81 PolarHBondContact O-N 3.48Å; A77-N81 PolarHBondContact O-ND2 2.9Å; E78-N81 PolarHBondContact O-N 3.05Å; N81-K85 WeakPolarHBondContact O-CB 3.42Å; N81-K85 VanDerWaalsContact O-CG 3.23Å; N81-K85 WeakPolarHBondContact O-CG 3.3Å; N81-K85 PolarHBondContact O-N 3.25Å
82I83.2Confident79.9Confident95 Ų9596.8 Ų96.849%0.48750%0.504SS..Hα-helixtrans-68.8-49.6175.1-70.7163.2000109.2E78 S79 E80 L84 K85 E86E78-I82 VanDerWaalsContact O-CG1 3.3Å; E78-I82 WeakPolarHBondContact O-CG1 3.31Å; E78-I82 PolarHBondContact O-N 3.33Å; S79-I82 PolarHBondContact O-N 3.25Å; E80-I82 VanDerWaalsContact C-N 3.32Å; E80-I82 PolarHBondContact O-N 3.25Å; I82-L84 VanDerWaalsContact C-N 3.32Å; I82-L84 PolarHBondContact O-N 3.5Å; I82-K85 WeakPolarHBondContact O-CB 3.38Å; I82-K85 PolarHBondContact O-N 2.94Å; I82-E86 PolarHBondContact O-N 2.84Å
83L82.3Confident80.9Confident111 Ų11197 Ų9758%0.58150%0.501SS*.Hα-helixtrans-59.4-39.9175.7-70.1170.1000112.6S79 E80 E86 A87S79-L83 WeakPolarHBondContact O-CG 3.43Å; S79-L83 PolarHBondContact O-N 3.48Å; E80-L83 PolarHBondContact O-N 2.86Å; L83-E86 PolarHBondContact O-N 3.34Å; L83-A87 VanDerWaalsContact O-CB 3.29Å; L83-A87 WeakPolarHBondContact O-CB 3.44Å; L83-A87 PolarHBondContact O-N 3.01Å
84L84.8Confident81.4Confident93 Ų9394.8 Ų94.849%0.48750%0.5SS..Hα-helixtrans-68-33.9174.6-74.2170.7000112.5E80 I82 L88E80-L84 HydrophobicContact CG-CD1 4.16Å; E80-L84 VanDerWaalsContact O-CB 3.31Å; E80-L84 WeakPolarHBondContact O-CB 3.43Å; E80-L84 VanDerWaalsContact O-CG 3.24Å; E80-L84 WeakPolarHBondContact O-CG 3.41Å; E80-L84 PolarHBondContact O-N 3.31Å; I82-L84 VanDerWaalsContact C-N 3.32Å; I82-L84 PolarHBondContact O-N 3.5Å; L84-L88 VanDerWaalsContact O-CB 3.26Å; L84-L88 WeakPolarHBondContact O-CB 3.37Å; L84-L88 WeakPolarHBondContact O-CG 3.46Å; L84-L88 PolarHBondContact O-N 3.22Å
85K86.4Confident82.1Confident137 Ų13796.9 Ų96.960%0.59651%0.511SS*.Hα-helixtrans-71.8-39.4173.6-79.4172.1-177.2175.10112.3N81 I82 L88 S89N81-K85 WeakPolarHBondContact O-CB 3.42Å; N81-K85 VanDerWaalsContact O-CG 3.23Å; N81-K85 WeakPolarHBondContact O-CG 3.3Å; N81-K85 PolarHBondContact O-N 3.25Å; I82-K85 WeakPolarHBondContact O-CB 3.38Å; I82-K85 PolarHBondContact O-N 2.94Å; K85-L88 PolarHBondContact O-N 3.43Å; K85-S89 WeakPolarHBondContact O-CB 3.27Å; K85-S89 PolarHBondContact O-N 2.99Å; K85-S89 PolarHBondContact O-OG 3.49Å
86E83.9Confident82.7Confident111 Ų11194.9 Ų94.952%0.51951%0.508SS..Hα-helixtrans-61.7-50.7172.7-73.5176.6170.900109.8I82 L83 L88 S89 E90I82-E86 PolarHBondContact O-N 2.84Å; L83-E86 PolarHBondContact O-N 3.34Å; E86-L88 VanDerWaalsContact C-N 3.34Å; E86-L88 PolarHBondContact O-N 2.87Å; E86-S89 PolarHBondContact O-N 2.91Å; E86-S89 VanDerWaalsContact O-N 3.08Å; E86-S89 PolarHBondContact O-OG 3.19Å; E86-E90 WeakPolarHBondContact O-CB 3.48Å; E86-E90 PolarHBondContact O-N 2.91Å
87A84Confident83.1Confident43 Ų4399 Ų9936%0.35552%0.516SS..Hα-helixtrans-63.3-32.9176.800000114L83 K91L83-A87 VanDerWaalsContact O-CB 3.29Å; L83-A87 WeakPolarHBondContact O-CB 3.44Å; L83-A87 PolarHBondContact O-N 3.01Å; A87-K91 WeakPolarHBondContact O-CB 3.36Å; A87-K91 WeakPolarHBondContact O-CG 3.34Å; A87-K91 PolarHBondContact O-N 3.43Å
88L83.9Confident83.5Confident107 Ų10799.3 Ų99.356%0.5652%0.516SS*.Hα-helixtrans-70.2-40.5171.1-79.9169.6000111.6L84 K85 E86 K91 D92L84-L88 VanDerWaalsContact O-CB 3.26Å; L84-L88 WeakPolarHBondContact O-CB 3.37Å; L84-L88 WeakPolarHBondContact O-CG 3.46Å; L84-L88 PolarHBondContact O-N 3.22Å; K85-L88 PolarHBondContact O-N 3.43Å; E86-L88 VanDerWaalsContact C-N 3.34Å; E86-L88 PolarHBondContact O-N 2.87Å; L88-K91 PolarHBondContact O-N 3.1Å; L88-D92 PolarHBondContact O-N 2.97Å
89S84.1Confident83.9Confident67 Ų6797.6 Ų97.647%0.46951%0.514SS..Hα-helixtrans-66-39.317673.70000111.9K85 E86 D92 T93K85-S89 WeakPolarHBondContact O-CB 3.27Å; K85-S89 PolarHBondContact O-N 2.99Å; K85-S89 PolarHBondContact O-OG 3.49Å; E86-S89 PolarHBondContact O-N 2.91Å; E86-S89 VanDerWaalsContact O-N 3.08Å; E86-S89 PolarHBondContact O-OG 3.19Å; S89-D92 PolarHBondContact O-N 3.36Å; S89-T93 WeakPolarHBondContact O-CG2 3.33Å; S89-T93 PolarHBondContact O-N 3.31Å
90E84Confident84.4Confident123 Ų123101.8 Ų101.858%0.57553%0.526SS*.Hα-helixtrans-62-47.1172.8-172.5179.8-169.800110.4E86 D92 T93 L94E86-E90 WeakPolarHBondContact O-CB 3.48Å; E86-E90 PolarHBondContact O-N 2.91Å; E90-D92 PolarHBondContact O-N 3.45Å; E90-T93 PolarHBondContact O-N 3.43Å; E90-T93 VanDerWaalsContact O-N 3.11Å; E90-T93 PolarHBondContact O-OG1 3.47Å; E90-L94 HydrophobicContact CG-CD1 4.39Å; E90-L94 WeakPolarHBondContact O-CG 3.34Å; E90-L94 PolarHBondContact O-N 2.81Å
91K86.2Confident84.5Confident144 Ų144100 Ų10063%0.62652%0.519SS*.Hα-helixtrans-60.3-39.8173.4-80.3-178.6176.2-179.90113.2A87 L88 L94 L95A87-K91 WeakPolarHBondContact O-CB 3.36Å; A87-K91 WeakPolarHBondContact O-CG 3.34Å; A87-K91 PolarHBondContact O-N 3.43Å; L88-K91 PolarHBondContact O-N 3.1Å; K91-L94 PolarHBondContact O-N 3.21Å; K91-L95 VanDerWaalsContact O-CB 3.25Å; K91-L95 WeakPolarHBondContact O-CB 3.48Å; K91-L95 PolarHBondContact O-N 3.24Å
92D87.2Confident84.7Confident98 Ų9899.5 Ų99.552%0.52452%0.516SS..Hα-helixtrans-65.3-37.8173.6-84.3-17.2000111.3L88 S89 E90 L95 N96L88-D92 PolarHBondContact O-N 2.97Å; S89-D92 PolarHBondContact O-N 3.36Å; E90-D92 PolarHBondContact O-N 3.45Å; D92-L95 PolarHBondContact O-N 3.5Å; D92-N96 VanDerWaalsContact O-CB 3.32Å; D92-N96 WeakPolarHBondContact O-CB 3.46Å; D92-N96 VanDerWaalsContact O-CG 3.32Å; D92-N96 PolarHBondContact O-N 2.99Å; D92-N96 PolarHBondContact O-ND2 2.77Å
93T85.5Confident84.8Confident90 Ų9099.3 Ų99.355%0.55252%0.516SS*.Hα-helixtrans-66.3-41173.362.90000112.5S89 E90 N96 F97S89-T93 WeakPolarHBondContact O-CG2 3.33Å; S89-T93 PolarHBondContact O-N 3.31Å; E90-T93 PolarHBondContact O-N 3.43Å; E90-T93 VanDerWaalsContact O-N 3.11Å; E90-T93 PolarHBondContact O-OG1 3.47Å; T93-N96 PolarHBondContact O-N 2.95Å; T93-F97 WeakPolarHBondContact O-CB 3.49Å; T93-F97 PolarHBondContact O-N 3.02Å
94L83.5Confident84.9Confident100 Ų10099.4 Ų99.452%0.52451%0.513SS..Hα-helixtrans-66.2-37.3175.1-71.7171.2000112.2E90 K91 F97 S98E90-L94 HydrophobicContact CG-CD1 4.39Å; E90-L94 WeakPolarHBondContact O-CG 3.34Å; E90-L94 PolarHBondContact O-N 2.81Å; K91-L94 PolarHBondContact O-N 3.21Å; L94-F97 PolarHBondContact O-N 2.86Å; L94-S98 VanDerWaalsContact O-CB 3.25Å; L94-S98 WeakPolarHBondContact O-CB 3.39Å; L94-S98 PolarHBondContact O-N 3.22Å
95L84.8Confident84.9Confident118 Ų11898.8 Ų98.862%0.61851%0.51SS*.Hα-helixtrans-72.2-37.2177.4-163.2128.3000111.5K91 D92 S98 S99K91-L95 VanDerWaalsContact O-CB 3.25Å; K91-L95 WeakPolarHBondContact O-CB 3.48Å; K91-L95 PolarHBondContact O-N 3.24Å; D92-L95 PolarHBondContact O-N 3.5Å; L95-S98 PolarHBondContact O-N 2.83Å; L95-S99 WeakPolarHBondContact O-CB 3.3Å; L95-S99 PolarHBondContact O-N 3.49Å
96N84.8Confident84.8Confident108 Ų108100.2 Ų100.258%0.57851%0.512SS*.Hα-helixtrans-66.5-40.5170.3-77.7-56.5000112.2D92 T93 S99 K100D92-N96 VanDerWaalsContact O-CB 3.32Å; D92-N96 WeakPolarHBondContact O-CB 3.46Å; D92-N96 VanDerWaalsContact O-CG 3.32Å; D92-N96 PolarHBondContact O-N 2.99Å; D92-N96 PolarHBondContact O-ND2 2.77Å; T93-N96 PolarHBondContact O-N 2.95Å; N96-S99 PolarHBondContact O-N 2.85Å; N96-K100 WeakPolarHBondContact O-CB 3.49Å; N96-K100 PolarHBondContact O-N 3.37Å
97F84.4Confident84.9Confident136 Ų136100.1 Ų100.160%0.59651%0.511SS*.Hα-helixtrans-63-45.4173.5-177.5-94000111.2T93 L94 S99 K100 M101T93-F97 WeakPolarHBondContact O-CB 3.49Å; T93-F97 PolarHBondContact O-N 3.02Å; L94-F97 PolarHBondContact O-N 2.86Å; F97-S99 PolarHBondContact O-N 3.38Å; F97-K100 PolarHBondContact O-N 3.13Å; F97-M101 HydrophobicContact CE1-SD 4.49Å; F97-M101 WeakPolarHBondContact O-CB 3.32Å; F97-M101 PolarHBondContact O-N 2.75Å
98S83.6Confident84.9Confident50 Ų50103.6 Ų103.635%0.3552%0.52SS..Hα-helixtrans-63.4-39.6175.5-170.20000112.2L94 L95 M101 N102L94-S98 VanDerWaalsContact O-CB 3.25Å; L94-S98 WeakPolarHBondContact O-CB 3.39Å; L94-S98 PolarHBondContact O-N 3.22Å; L95-S98 PolarHBondContact O-N 2.83Å; S98-M101 PolarHBondContact O-N 3.25Å; S98-N102 WeakPolarHBondContact O-CB 3.47Å; S98-N102 PolarHBondContact O-N 3.46Å; S98-N102 PolarHBondContact O-ND2 3.25Å
99S85.5Confident84.9Confident58 Ų58102.9 Ų102.941%0.40652%0.516SS..Hα-helixtrans-62.3-48.2173.1-166.80000111.1L95 N96 F97 M101 N102 D103L95-S99 WeakPolarHBondContact O-CB 3.3Å; L95-S99 PolarHBondContact O-N 3.49Å; N96-S99 PolarHBondContact O-N 2.85Å; F97-S99 PolarHBondContact O-N 3.38Å; S99-M101 VanDerWaalsContact C-N 3.32Å; S99-M101 PolarHBondContact O-N 3.35Å; S99-N102 CarbonylContact O-C 3.6Å; S99-N102 WeakPolarHBondContact O-CB 3.44Å; S99-N102 PolarHBondContact O-N 3.41Å; S99-N102 VanDerWaalsContact O-N 3.14Å; S99-D103 PolarHBondContact O-N 3.48Å
100K86.9Confident85Confident138 Ų138104 Ų10460%0.652%0.517SS*.Hα-helixtrans-61-39178.1-172.5178.2180-177.10112.3N96 F97 D103 Q104N96-K100 WeakPolarHBondContact O-CB 3.49Å; N96-K100 PolarHBondContact O-N 3.37Å; F97-K100 PolarHBondContact O-N 3.13Å; K100-D103 PolarHBondContact O-N 3.11Å; K100-Q104 WeakPolarHBondContact O-CG 3.32Å; K100-Q104 PolarHBondContact O-N 2.8Å
101M83.8Confident85.1Confident85 Ų85101.6 Ų101.642%0.41951%0.507SS..Hα-helixtrans-69.2-39.4174.4-171.9175.466.600111.8F97 S98 S99 D103 Q104 L105F97-M101 HydrophobicContact CE1-SD 4.49Å; F97-M101 WeakPolarHBondContact O-CB 3.32Å; F97-M101 PolarHBondContact O-N 2.75Å; S98-M101 PolarHBondContact O-N 3.25Å; S99-M101 VanDerWaalsContact C-N 3.32Å; S99-M101 PolarHBondContact O-N 3.35Å; M101-D103 VanDerWaalsContact C-N 3.34Å; M101-D103 PolarHBondContact O-N 2.97Å; M101-Q104 PolarHBondContact O-N 2.79Å; M101-L105 HydrophobicContact CG-CD1 4.43Å; M101-L105 WeakPolarHBondContact O-CB 3.26Å; M101-L105 WeakPolarHBondContact O-CG 3.24Å; M101-L105 PolarHBondContact O-N 2.8Å
102N85Confident84.7Confident78 Ų78100 Ų10042%0.41751%0.505SS..Hα-helixtrans-64.1-37.1173-83.2-57.6000112.4S98 S99 L105 R106S98-N102 WeakPolarHBondContact O-CB 3.47Å; S98-N102 PolarHBondContact O-N 3.46Å; S98-N102 PolarHBondContact O-ND2 3.25Å; S99-N102 CarbonylContact O-C 3.6Å; S99-N102 WeakPolarHBondContact O-CB 3.44Å; S99-N102 PolarHBondContact O-N 3.41Å; S99-N102 VanDerWaalsContact O-N 3.14Å; N102-L105 PolarHBondContact O-N 2.87Å; N102-R106 WeakPolarHBondContact O-CB 3.42Å; N102-R106 VanDerWaalsContact O-CG 3.26Å; N102-R106 WeakPolarHBondContact O-CG 3.16Å; N102-R106 PolarHBondContact O-N 3.46Å
103D86.6Confident84.6Confident91 Ų91101.7 Ų101.749%0.48751%0.507SS..Hα-helixtrans-68.7-40.1174.6-67.3-32.6000111.4S99 K100 M101 R106 E107S99-D103 PolarHBondContact O-N 3.48Å; K100-D103 PolarHBondContact O-N 3.11Å; M101-D103 VanDerWaalsContact C-N 3.34Å; M101-D103 PolarHBondContact O-N 2.97Å; D103-R106 PolarHBondContact O-N 3.17Å; D103-E107 PolarHBondContact O-N 3.41Å
104Q84.2Confident84.6Confident112 Ų112103.3 Ų103.352%0.52351%0.509SS..Hα-helixtrans-61.8-41.3170.8-74.9176.5-31.500112.6K100 M101 E107 Q108K100-Q104 WeakPolarHBondContact O-CG 3.32Å; K100-Q104 PolarHBondContact O-N 2.8Å; M101-Q104 PolarHBondContact O-N 2.79Å; Q104-E107 PolarHBondContact O-N 3.41Å; Q104-Q108 WeakPolarHBondContact O-CG 3.4Å; Q104-Q108 PolarHBondContact O-N 2.64Å
105L84.4Confident84.6Confident80 Ų80104.6 Ų104.642%0.41951%0.51SS..Hα-helixtrans-67.8-38.1175.7-73.3170.7000112M101 N102 E107 Q108 I109M101-L105 HydrophobicContact CG-CD1 4.43Å; M101-L105 WeakPolarHBondContact O-CB 3.26Å; M101-L105 WeakPolarHBondContact O-CG 3.24Å; M101-L105 PolarHBondContact O-N 2.8Å; N102-L105 PolarHBondContact O-N 2.87Å; L105-E107 VanDerWaalsContact C-N 3.33Å; L105-Q108 PolarHBondContact O-N 3.09Å; L105-I109 WeakPolarHBondContact O-CB 3.39Å; L105-I109 VanDerWaalsContact O-CG1 3.26Å; L105-I109 WeakPolarHBondContact O-CG1 3.42Å; L105-I109 PolarHBondContact O-N 3.01Å
106R85.1Confident84.4Confident167 Ų167102.4 Ų102.463%0.6351%0.505SS*.Hα-helixtrans-61.6-41.7172.8-76.9168.3-179.5-94.53.8111.5N102 D103 I109 N110N102-R106 WeakPolarHBondContact O-CB 3.42Å; N102-R106 VanDerWaalsContact O-CG 3.26Å; N102-R106 WeakPolarHBondContact O-CG 3.16Å; N102-R106 PolarHBondContact O-N 3.46Å; D103-R106 PolarHBondContact O-N 3.17Å; R106-I109 PolarHBondContact O-N 2.9Å; R106-N110 VanDerWaalsContact O-CG 3.27Å; R106-N110 PolarHBondContact O-N 2.9Å; R106-N110 PolarHBondContact O-ND2 2.9Å
107E86.5Confident84.3Confident110 Ų110101.6 Ų101.651%0.51450%0.501SS..Hα-helixtrans-67-42.2177-169.564.7178.400111.9D103 Q104 L105 I109 N110 I111D103-E107 PolarHBondContact O-N 3.41Å; Q104-E107 PolarHBondContact O-N 3.41Å; L105-E107 VanDerWaalsContact C-N 3.33Å; E107-I109 VanDerWaalsContact C-N 3.32Å; E107-I109 PolarHBondContact O-N 3.27Å; E107-N110 PolarHBondContact O-N 2.84Å; E107-I111 HydrophobicContact CG-CD1 4.15Å; E107-I111 WeakPolarHBondContact O-CG1 3.32Å; E107-I111 PolarHBondContact O-N 3.46Å
108Q82.9Confident84.3Confident116 Ų11698.3 Ų98.354%0.54249%0.489SS..Hα-helixtrans-60.8-39.7172-71.9-177.818.200112.4Q104 L105 I111 L112Q104-Q108 WeakPolarHBondContact O-CG 3.4Å; Q104-Q108 PolarHBondContact O-N 2.64Å; L105-Q108 PolarHBondContact O-N 3.09Å; Q108-I111 PolarHBondContact O-N 3.4Å; Q108-L112 WeakPolarHBondContact O-CB 3.42Å; Q108-L112 VanDerWaalsContact O-CG 3.27Å; Q108-L112 WeakPolarHBondContact O-CG 3.32Å; Q108-L112 PolarHBondContact O-N 3.49Å
109I84.7Confident84.2Confident91 Ų91100.5 Ų100.547%0.46750%0.496SS..Hα-helixtrans-64.9-39.3174.8-71.6165.6000111.4L105 R106 E107 L112 K113L105-I109 WeakPolarHBondContact O-CB 3.39Å; L105-I109 VanDerWaalsContact O-CG1 3.26Å; L105-I109 WeakPolarHBondContact O-CG1 3.42Å; L105-I109 PolarHBondContact O-N 3.01Å; R106-I109 PolarHBondContact O-N 2.9Å; E107-I109 VanDerWaalsContact C-N 3.32Å; E107-I109 PolarHBondContact O-N 3.27Å; I109-L112 PolarHBondContact O-N 2.9Å; I109-K113 HydrophobicContact CG2-CD 4.43Å; I109-K113 WeakPolarHBondContact O-CB 3.45Å; I109-K113 WeakPolarHBondContact O-CG 3.39Å; I109-K113 PolarHBondContact O-N 3.18Å
110N85.1Confident84Confident90 Ų90102.2 Ų102.248%0.48150%0.497SS..Hα-helixtrans-63.6-46.4175.2-69.5-23.8000111.3R106 E107 L112 K113 E114R106-N110 VanDerWaalsContact O-CG 3.27Å; R106-N110 PolarHBondContact O-N 2.9Å; R106-N110 PolarHBondContact O-ND2 2.9Å; E107-N110 PolarHBondContact O-N 2.84Å; N110-L112 VanDerWaalsContact C-N 3.33Å; N110-L112 PolarHBondContact O-N 2.88Å; N110-K113 PolarHBondContact O-N 2.76Å; N110-E114 PolarHBondContact O-N 2.98Å
111I85.7Confident83.8Confident74 Ų7499.3 Ų99.338%0.37949%0.489SS..Hα-helixtrans-62.4-39.5176.6-66.6164.1000111.1E107 Q108 E114 K115E107-I111 HydrophobicContact CG-CD1 4.15Å; E107-I111 WeakPolarHBondContact O-CG1 3.32Å; E107-I111 PolarHBondContact O-N 3.46Å; Q108-I111 PolarHBondContact O-N 3.4Å; I111-E114 PolarHBondContact O-N 2.9Å; I111-K115 HydrophobicContact CG2-CD 4.4Å; I111-K115 WeakPolarHBondContact O-CB 3.47Å; I111-K115 WeakPolarHBondContact O-CG 3.39Å; I111-K115 PolarHBondContact O-N 3.4Å
112L78.5Confident83.6Confident111 Ų11196.3 Ų96.358%0.58147%0.474SS*.Hα-helixtrans-68.4-37176-74.8170.5000112.4Q108 I109 N110 K115 S116Q108-L112 WeakPolarHBondContact O-CB 3.42Å; Q108-L112 VanDerWaalsContact O-CG 3.27Å; Q108-L112 WeakPolarHBondContact O-CG 3.32Å; Q108-L112 PolarHBondContact O-N 3.49Å; I109-L112 PolarHBondContact O-N 2.9Å; N110-L112 VanDerWaalsContact C-N 3.33Å; N110-L112 PolarHBondContact O-N 2.88Å; L112-K115 PolarHBondContact O-N 3.06Å; L112-S116 WeakPolarHBondContact O-CB 3.46Å; L112-S116 PolarHBondContact O-N 3.36Å
113K85.4Confident83.1Confident132 Ų132100.9 Ų100.957%0.57449%0.486SS*.Hα-helixtrans-64.3-46.6171.9-77-177.7175.4-169.10111.6I109 N110 K115 S116 D117I109-K113 HydrophobicContact CG2-CD 4.43Å; I109-K113 WeakPolarHBondContact O-CB 3.45Å; I109-K113 WeakPolarHBondContact O-CG 3.39Å; I109-K113 PolarHBondContact O-N 3.18Å; N110-K113 PolarHBondContact O-N 2.76Å; K113-K115 VanDerWaalsContact C-N 3.32Å; K113-K115 PolarHBondContact O-N 3.02Å; K113-S116 WeakPolarHBondContact O-CB 3.49Å; K113-S116 PolarHBondContact O-N 2.78Å; K113-S116 VanDerWaalsContact O-N 3.1Å; K113-D117 PolarHBondContact O-N 3.36Å
114E84.7Confident82.9Confident125 Ų125103.4 Ų103.458%0.58449%0.488SS*.Hα-helixtrans-61.7-39.4176.3-174.9175-169.100111.8N110 I111 N118N110-E114 PolarHBondContact O-N 2.98Å; I111-E114 PolarHBondContact O-N 2.9Å; E114-N118 VanDerWaalsContact O-CB 3.32Å; E114-N118 WeakPolarHBondContact O-CB 3.22Å; E114-N118 VanDerWaalsContact O-CG 3.25Å; E114-N118 PolarHBondContact O-N 3.13Å; E114-N118 PolarHBondContact O-ND2 3.3Å
115K84.5Confident82.8Confident126 Ų126101.2 Ų101.255%0.54848%0.477SS..Hα-helixtrans-62.8-43171.4-76-179.4178-172.20112.2I111 L112 K113 N118 I119I111-K115 HydrophobicContact CG2-CD 4.4Å; I111-K115 WeakPolarHBondContact O-CB 3.47Å; I111-K115 WeakPolarHBondContact O-CG 3.39Å; I111-K115 PolarHBondContact O-N 3.4Å; L112-K115 PolarHBondContact O-N 3.06Å; K113-K115 VanDerWaalsContact C-N 3.32Å; K113-K115 PolarHBondContact O-N 3.02Å; K115-N118 PolarHBondContact O-N 2.78Å; K115-I119 WeakPolarHBondContact O-CB 3.47Å; K115-I119 VanDerWaalsContact O-CG1 3.25Å; K115-I119 WeakPolarHBondContact O-CG1 3.38Å; K115-I119 PolarHBondContact O-N 3.41Å
116S80.9Confident82.6Confident72 Ų7299.9 Ų99.950%0.50347%0.468SS..Hα-helixtrans-61.8-47.3176.6-171.80000112L112 K113 N118 I119 E120L112-S116 WeakPolarHBondContact O-CB 3.46Å; L112-S116 PolarHBondContact O-N 3.36Å; K113-S116 WeakPolarHBondContact O-CB 3.49Å; K113-S116 PolarHBondContact O-N 2.78Å; K113-S116 VanDerWaalsContact O-N 3.1Å; S116-N118 VanDerWaalsContact C-N 3.33Å; S116-N118 PolarHBondContact O-N 3.39Å; S116-I119 PolarHBondContact O-N 3.07Å; S116-E120 PolarHBondContact O-N 3.02Å
117D83.1Confident82.4Confident92 Ų9299.1 Ų99.149%0.49247%0.466SS..Hα-helixtrans-64-38.4178.3-70.3-7.3000111.3K113 E120 N121K113-D117 PolarHBondContact O-N 3.36Å; D117-E120 PolarHBondContact O-N 3.39Å; D117-N121 WeakPolarHBondContact O-CB 3.31Å; D117-N121 PolarHBondContact O-N 3.17Å; D117-N121 PolarHBondContact O-ND2 2.8Å
118N84.1Confident82.1Confident66 Ų6698.7 Ų98.735%0.35347%0.468SS..Hα-helixtrans-66-40.7174.6-77.5-38.7000112.1E114 K115 S116 N121 D122E114-N118 VanDerWaalsContact O-CB 3.32Å; E114-N118 WeakPolarHBondContact O-CB 3.22Å; E114-N118 VanDerWaalsContact O-CG 3.25Å; E114-N118 PolarHBondContact O-N 3.13Å; E114-N118 PolarHBondContact O-ND2 3.3Å; K115-N118 PolarHBondContact O-N 2.78Å; S116-N118 VanDerWaalsContact C-N 3.33Å; S116-N118 PolarHBondContact O-N 3.39Å; N118-N121 PolarHBondContact O-N 2.92Å; N118-D122 WeakPolarHBondContact O-CB 3.47Å; N118-D122 PolarHBondContact O-N 3.25Å
119I80.5Confident81.9Confident97 Ų9794.6 Ų94.650%0.49745%0.449SS..Hα-helixtrans-64.2-45.5174.5-71.3165.9000110.8K115 S116 N121 D122 W123K115-I119 WeakPolarHBondContact O-CB 3.47Å; K115-I119 VanDerWaalsContact O-CG1 3.25Å; K115-I119 WeakPolarHBondContact O-CG1 3.38Å; K115-I119 PolarHBondContact O-N 3.41Å; S116-I119 PolarHBondContact O-N 3.07Å; I119-N121 VanDerWaalsContact C-N 3.35Å; I119-N121 PolarHBondContact O-N 3.46Å; I119-D122 PolarHBondContact O-N 3.39Å; I119-W123 PolarHBondContact O-N 2.86Å
120E81Confident81.5Confident93 Ų9395.2 Ų95.244%0.43545%0.453SS..Hα-helixtrans-63.8-40.9177.9-156.8-156.5148.700111.7S116 D117 D122 W123 R124S116-E120 PolarHBondContact O-N 3.02Å; D117-E120 PolarHBondContact O-N 3.39Å; E120-D122 VanDerWaalsContact C-N 3.33Å; E120-D122 PolarHBondContact O-N 2.7Å; E120-W123 PolarHBondContact O-N 2.82Å; E120-R124 WeakPolarHBondContact O-CB 3.36Å; E120-R124 WeakPolarHBondContact O-CG 3.49Å; E120-R124 PolarHBondContact O-N 3.5Å; E120-R124 IonicContact OE1-CZ 3.17Å; E120-R124 IonicContact OE1-NE 2.63Å; E120-R124 PolarHBondContact OE1-NE 2.99Å; E120-R124 IonicContact OE1-NH2 2.67Å; E120-R124 PolarHBondContact OE1-NH2 3.24Å
121N83.2Confident81.2Confident78 Ų7895 Ų9542%0.41745%0.449SS..Hα-helixtrans-62-39.6174.6-82-61.8000112.3D117 N118 I119 R124 K125D117-N121 WeakPolarHBondContact O-CB 3.31Å; D117-N121 PolarHBondContact O-N 3.17Å; D117-N121 PolarHBondContact O-ND2 2.8Å; N118-N121 PolarHBondContact O-N 2.92Å; I119-N121 VanDerWaalsContact C-N 3.35Å; I119-N121 PolarHBondContact O-N 3.46Å; N121-R124 PolarHBondContact O-N 2.88Å; N121-K125 VanDerWaalsContact O-CD 3.27Å; N121-K125 WeakPolarHBondContact O-CD 3.47Å; N121-K125 VanDerWaalsContact O-CG 3.31Å; N121-K125 WeakPolarHBondContact O-CG 3.45Å; N121-K125 PolarHBondContact O-N 3.35Å
122D80Confident80.9Confident22 Ų2295.6 Ų95.612%0.11846%0.456CS..Hα-helixtrans-68-43.3176.9-168.855.3000112.2N118 I119 E120 R124 K125 K126N118-D122 WeakPolarHBondContact O-CB 3.47Å; N118-D122 PolarHBondContact O-N 3.25Å; I119-D122 PolarHBondContact O-N 3.39Å; E120-D122 VanDerWaalsContact C-N 3.33Å; E120-D122 PolarHBondContact O-N 2.7Å; D122-R124 PolarHBondContact O-N 3.26Å; D122-K125 PolarHBondContact O-N 3Å; D122-K126 WeakPolarHBondContact O-CB 3.29Å; D122-K126 WeakPolarHBondContact O-CG 3.48Å; D122-K126 PolarHBondContact O-N 2.76Å; D122-K126 WeakPolarHBondContact OD2-CE 3.39Å; D122-K126 IonicContact OD2-NZ 3.52Å; D122-K126 PolarHBondContact OD2-NZ 3.1Å
123W74.9Confident80.8Confident173 Ų17394 Ų9466%0.65545%0.446SS*.Hα-helixtrans-60.2-41.8172.1-81.3109.3000112.8I119 E120 K126 Y127I119-W123 PolarHBondContact O-N 2.86Å; E120-W123 PolarHBondContact O-N 2.82Å; W123-K126 PolarHBondContact O-N 2.83Å; W123-Y127 WeakPolarHBondContact O-CB 3.39Å; W123-Y127 PolarHBondContact O-N 3.37Å
124R81Confident80.3Confident144 Ų14492.4 Ų92.454%0.54344%0.439SS..Hα-helixtrans-61.2-46.3174.8-74.6177.3-178.4-153.96.9111.5E120 N121 D122 K126 Y127 D128E120-R124 WeakPolarHBondContact O-CB 3.36Å; E120-R124 WeakPolarHBondContact O-CG 3.49Å; E120-R124 PolarHBondContact O-N 3.5Å; E120-R124 IonicContact OE1-CZ 3.17Å; E120-R124 IonicContact OE1-NE 2.63Å; E120-R124 PolarHBondContact OE1-NE 2.99Å; E120-R124 IonicContact OE1-NH2 2.67Å; E120-R124 PolarHBondContact OE1-NH2 3.24Å; N121-R124 PolarHBondContact O-N 2.88Å; D122-R124 PolarHBondContact O-N 3.26Å; R124-K126 PolarHBondContact O-N 3.37Å; R124-Y127 PolarHBondContact O-N 3.14Å; R124-D128 PolarHBondContact O-N 3.06Å
125K82.7Confident79.8Confident66 Ų6690.8 Ų90.829%0.28743%0.431SS..Hα-helixtrans-61.4-44.5176.1-72.7154.7165.41800112N121 D122 Y127 D128 I129 V1709N121-K125 VanDerWaalsContact O-CD 3.27Å; N121-K125 WeakPolarHBondContact O-CD 3.47Å; N121-K125 VanDerWaalsContact O-CG 3.31Å; N121-K125 WeakPolarHBondContact O-CG 3.45Å; N121-K125 PolarHBondContact O-N 3.35Å; D122-K125 PolarHBondContact O-N 3Å; K125-Y127 VanDerWaalsContact C-N 3.33Å; K125-Y127 PolarHBondContact O-N 3.07Å; K125-D128 PolarHBondContact O-N 2.87Å; K125-I129 VanDerWaalsContact O-CD1 3.3Å; K125-I129 WeakPolarHBondContact O-CD1 3.5Å; K125-I129 VanDerWaalsContact O-CG1 3.28Å; K125-I129 WeakPolarHBondContact O-CG1 3.48Å; K125-I129 PolarHBondContact O-N 3.38Å; K125-V1709 HydrophobicContact CB-CG2 4.12Å; K125-V1709 HydrophobicContact CD-CG2 3.62Å; K125-V1709 HydrophobicContact CG-CG2 4.18Å
126K81.2Confident79.4Confident53 Ų5387.3 Ų87.323%0.2342%0.422CS..Hα-helixtrans-59.6-40.8175-77.9165.7169.7165.40112.2D122 W123 R124 L130 S1712D122-K126 WeakPolarHBondContact O-CB 3.29Å; D122-K126 WeakPolarHBondContact O-CG 3.48Å; D122-K126 PolarHBondContact O-N 2.76Å; D122-K126 WeakPolarHBondContact OD2-CE 3.39Å; D122-K126 IonicContact OD2-NZ 3.52Å; D122-K126 PolarHBondContact OD2-NZ 3.1Å; W123-K126 PolarHBondContact O-N 2.83Å; R124-K126 PolarHBondContact O-N 3.37Å; K126-L130 WeakPolarHBondContact O-CB 3.4Å; K126-L130 PolarHBondContact O-N 3.02Å; K126-L130 VanDerWaalsContact O-N 3.09Å; K126-S1712 WeakPolarHBondContact CE-OG 3.36Å
127Y79.8Confident78.8Confident151 Ų15185.5 Ų85.559%0.59241%0.412SS*.Hα-helixtrans-67.1-45.4175.8-178.5-88.9000112.2W123 R124 K125 I129 L130 H131W123-Y127 WeakPolarHBondContact O-CB 3.39Å; W123-Y127 PolarHBondContact O-N 3.37Å; R124-Y127 PolarHBondContact O-N 3.14Å; K125-Y127 VanDerWaalsContact C-N 3.33Å; K125-Y127 PolarHBondContact O-N 3.07Å; Y127-I129 VanDerWaalsContact C-N 3.33Å; Y127-I129 PolarHBondContact O-N 3.35Å; Y127-L130 PolarHBondContact O-N 3.49Å; Y127-H131 WeakPolarHBondContact O-CB 3.46Å; Y127-H131 PolarHBondContact O-N 3.42Å
128D80.1Confident78.6Confident101 Ų10185.6 Ų85.654%0.5441%0.409SS..Hα-helixtrans-60.9-42.1178-72.6-20.9000111.4R124 K125 H131 T132R124-D128 PolarHBondContact O-N 3.06Å; K125-D128 PolarHBondContact O-N 2.87Å; D128-H131 PolarHBondContact O-N 2.84Å; D128-T132 WeakPolarHBondContact O-CG2 3.37Å; D128-T132 PolarHBondContact O-N 3.26Å; D128-T132 PolarHBondContact O-OG1 3.36Å
129I79.6Confident78.3Confident30 Ų3087.8 Ų87.815%0.15442%0.417CS..Hα-helixtrans-60.1-53.3174.4-69.3156.1000110.3K125 Y127 H131 T132 E133 V1709K125-I129 VanDerWaalsContact O-CD1 3.3Å; K125-I129 WeakPolarHBondContact O-CD1 3.5Å; K125-I129 VanDerWaalsContact O-CG1 3.28Å; K125-I129 WeakPolarHBondContact O-CG1 3.48Å; K125-I129 PolarHBondContact O-N 3.38Å; Y127-I129 VanDerWaalsContact C-N 3.33Å; Y127-I129 PolarHBondContact O-N 3.35Å; I129-H131 PolarHBondContact O-N 3.4Å; I129-T132 PolarHBondContact O-N 2.9Å; I129-T132 PolarHBondContact O-OG1 3.16Å; I129-E133 HydrophobicContact CG2-CG 4.4Å; I129-E133 PolarHBondContact O-N 2.77Å; I129-V1709 HydrophobicContact CD1-CB 4.32Å; I129-V1709 HydrophobicContact CD1-CG1 3.67Å
130L74.9Confident78.2Confident103 Ų10385.9 Ų85.954%0.53941%0.405SS..Hα-helixtrans-56.9-38.6179.2-163.583.3000111.7K126 Y127 E133 F134K126-L130 WeakPolarHBondContact O-CB 3.4Å; K126-L130 PolarHBondContact O-N 3.02Å; K126-L130 VanDerWaalsContact O-N 3.09Å; Y127-L130 PolarHBondContact O-N 3.49Å; L130-E133 PolarHBondContact O-N 3.5Å; L130-F134 WeakPolarHBondContact O-CB 3.22Å; L130-F134 PolarHBondContact O-N 2.8Å
131H80Confident77.8Confident86 Ų8684.5 Ų84.540%0.39840%0.403SS..Hα-helixtrans-66.9-41.5176.8-16762.7000112.3Y127 D128 I129 F134 Q135Y127-H131 WeakPolarHBondContact O-CB 3.46Å; Y127-H131 PolarHBondContact O-N 3.42Å; D128-H131 PolarHBondContact O-N 2.84Å; I129-H131 PolarHBondContact O-N 3.4Å; H131-F134 PolarHBondContact O-N 3.21Å; H131-Q135 PolarHBondContact CD2-NE2 3.06Å; H131-Q135 PolarHBondContact NE2-NE2 3.28Å; H131-Q135 WeakPolarHBondContact O-CG 3.42Å; H131-Q135 PolarHBondContact O-N 2.89Å
132T79.7Confident77.6Confident87 Ų8786.7 Ų86.753%0.53441%0.406SS..Hα-helixtrans-67.5-37.2174.560.10000112.9D128 I129 Q135 C136D128-T132 WeakPolarHBondContact O-CG2 3.37Å; D128-T132 PolarHBondContact O-N 3.26Å; D128-T132 PolarHBondContact O-OG1 3.36Å; I129-T132 PolarHBondContact O-N 2.9Å; I129-T132 PolarHBondContact O-OG1 3.16Å; T132-Q135 PolarHBondContact O-N 3.33Å; T132-C136 WeakPolarHBondContact O-CB 3.42Å; T132-C136 PolarHBondContact O-N 2.9Å
133E75.2Confident77.5Confident78 Ų7888.7 Ų88.736%0.36443%0.425SS..Hα-helixtrans-66.9-39.9175.3-70.9-174.4155.600111.5I129 L130 C136 A137 S1694I129-E133 HydrophobicContact CG2-CG 4.4Å; I129-E133 PolarHBondContact O-N 2.77Å; L130-E133 PolarHBondContact O-N 3.5Å; E133-C136 PolarHBondContact O-N 3.09Å; E133-A137 WeakPolarHBondContact O-CB 3.28Å; E133-A137 PolarHBondContact O-N 3.1Å; E133-S1694 PolarHBondContact OE1-OG 3.43Å
134F76.1Confident77.7Confident97 Ų9783.8 Ų83.843%0.42541%0.411SS..Hα-helixtrans-63.5-45.3174.2-176.3-96.5000112.4L130 H131 C136 A137 Q138L130-F134 WeakPolarHBondContact O-CB 3.22Å; L130-F134 PolarHBondContact O-N 2.8Å; H131-F134 PolarHBondContact O-N 3.21Å; F134-C136 PolarHBondContact O-N 2.96Å; F134-A137 PolarHBondContact O-N 2.84Å; F134-Q138 WeakPolarHBondContact O-CB 3.37Å; F134-Q138 PolarHBondContact O-N 3.21Å
135Q74.5Confident77.7Confident91 Ų9182.1 Ų82.143%0.42541%0.409SS..Hα-helixtrans-61.2-44.1174.6-72.3-172.716.600111.7H131 T132 A137 Q138 E139H131-Q135 PolarHBondContact CD2-NE2 3.06Å; H131-Q135 PolarHBondContact NE2-NE2 3.28Å; H131-Q135 WeakPolarHBondContact O-CG 3.42Å; H131-Q135 PolarHBondContact O-N 2.89Å; T132-Q135 PolarHBondContact O-N 3.33Å; Q135-A137 VanDerWaalsContact C-N 3.34Å; Q135-A137 PolarHBondContact O-N 2.97Å; Q135-Q138 PolarHBondContact O-N 3.16Å; Q135-E139 PolarHBondContact O-N 2.84Å
136C74.1Confident77.5Confident54 Ų5485 Ų8537%0.36543%0.426SS..Hα-helixtrans-62.4-39.7176.3-173.80000112.1T132 E133 F134 E139 K140T132-C136 WeakPolarHBondContact O-CB 3.42Å; T132-C136 PolarHBondContact O-N 2.9Å; E133-C136 PolarHBondContact O-N 3.09Å; F134-C136 PolarHBondContact O-N 2.96Å; C136-E139 PolarHBondContact O-N 2.77Å; C136-K140 WeakPolarHBondContact O-CG 3.43Å; C136-K140 PolarHBondContact O-N 2.81Å
137A69.5Low77.5Confident34 Ų3485.1 Ų85.128%0.28143%0.433SS..Hα-helixtrans-63.4-43.9173.700000111.8E133 F134 Q135 E139 K140 V141E133-A137 WeakPolarHBondContact O-CB 3.28Å; E133-A137 PolarHBondContact O-N 3.1Å; F134-A137 PolarHBondContact O-N 2.84Å; Q135-A137 VanDerWaalsContact C-N 3.34Å; Q135-A137 PolarHBondContact O-N 2.97Å; A137-E139 VanDerWaalsContact C-N 3.31Å; A137-E139 PolarHBondContact O-N 3.34Å; A137-K140 PolarHBondContact O-N 2.97Å; A137-V141 WeakPolarHBondContact O-CG2 3.49Å; A137-V141 PolarHBondContact O-N 2.72Å
138Q79.2Confident77.4Confident93 Ų9382.5 Ų82.544%0.43543%0.428SS..Hα-helixtrans-64.1-33.2177.4-165-176.724.700112.7F134 Q135 R142F134-Q138 WeakPolarHBondContact O-CB 3.37Å; F134-Q138 PolarHBondContact O-N 3.21Å; Q135-Q138 PolarHBondContact O-N 3.16Å; Q138-R142 WeakPolarHBondContact O-CG 3.2Å; Q138-R142 PolarHBondContact O-N 2.9Å; Q138-R142 VanDerWaalsContact O-N 3.14Å; Q138-R142 PolarHBondContact O-NE 3.3Å
139E77Confident77.4Confident112 Ų11282.6 Ų82.652%0.52343%0.428SS..Hα-helixtrans-72.3-42.5172.5-77.3-176.6165.700112.7Q135 C136 A137 V141 R142 A143Q135-E139 PolarHBondContact O-N 2.84Å; C136-E139 PolarHBondContact O-N 2.77Å; A137-E139 VanDerWaalsContact C-N 3.31Å; A137-E139 PolarHBondContact O-N 3.34Å; E139-V141 VanDerWaalsContact C-N 3.29Å; E139-V141 PolarHBondContact O-N 2.78Å; E139-R142 PolarHBondContact O-N 3.44Å; E139-R142 IonicContact OE1-NH2 2.68Å; E139-A143 WeakPolarHBondContact O-CB 3.32Å; E139-A143 PolarHBondContact O-N 3.29Å
140K78.1Confident77.3Confident58 Ų5883.4 Ų83.425%0.25244%0.44SS..Hα-helixtrans-61.8-35.9173.4-72.6-179.5-174.7-1730112.5C136 A137 L144 H1690C136-K140 WeakPolarHBondContact O-CG 3.43Å; C136-K140 PolarHBondContact O-N 2.81Å; A137-K140 PolarHBondContact O-N 2.97Å; K140-L144 WeakPolarHBondContact O-CB 3.44Å; K140-L144 WeakPolarHBondContact O-CG 3.35Å; K140-L144 PolarHBondContact O-N 3.2Å; K140-H1690 WeakPolarHBondContact CD-NE2 3.46Å; K140-H1690 PolarHBondContact NZ-CD2 2.98Å; K140-H1690 PolarHBondContact NZ-CE1 3.31Å; K140-H1690 VanDerWaalsContact NZ-CE1 3.27Å; K140-H1690 PolarHBondContact NZ-ND1 2.85Å; K140-H1690 PolarHBondContact NZ-NE2 2.9Å; K140-H1690 VanDerWaalsContact NZ-NE2 3.17Å
141V73Confident77.7Confident64 Ų6485.2 Ų85.239%0.38844%0.443SS..Hα-helixtrans-64.8-52.2173.4170.80000110.4A137 E139 A143 L144 E145A137-V141 WeakPolarHBondContact O-CG2 3.49Å; A137-V141 PolarHBondContact O-N 2.72Å; E139-V141 VanDerWaalsContact C-N 3.29Å; E139-V141 PolarHBondContact O-N 2.78Å; V141-A143 VanDerWaalsContact C-N 3.28Å; V141-A143 PolarHBondContact O-N 2.85Å; V141-L144 PolarHBondContact O-N 3.18Å; V141-E145 HydrophobicContact CG1-CG 4.29Å; V141-E145 WeakPolarHBondContact O-CG 3.37Å; V141-E145 PolarHBondContact O-N 3.41Å
142R79.5Confident77.7Confident124 Ų12485.5 Ų85.547%0.46845%0.448SS..Hα-helixtrans-56.6-39.3175.9-77.1-176.7-77.4147-9.6113.1Q138 E139 M146Q138-R142 WeakPolarHBondContact O-CG 3.2Å; Q138-R142 PolarHBondContact O-N 2.9Å; Q138-R142 VanDerWaalsContact O-N 3.14Å; Q138-R142 PolarHBondContact O-NE 3.3Å; E139-R142 PolarHBondContact O-N 3.44Å; E139-R142 IonicContact OE1-NH2 2.68Å; R142-M146 WeakPolarHBondContact O-CB 3.12Å; R142-M146 VanDerWaalsContact O-CG 3.32Å; R142-M146 WeakPolarHBondContact O-CG 3.26Å; R142-M146 PolarHBondContact O-N 3.45Å
143A77.8Confident77.9Confident63 Ų6385 Ų8552%0.52145%0.445SS..Hα-helixtrans-66.5-38.2176.900000112.6E139 V141 S147E139-A143 WeakPolarHBondContact O-CB 3.32Å; E139-A143 PolarHBondContact O-N 3.29Å; V141-A143 VanDerWaalsContact C-N 3.28Å; V141-A143 PolarHBondContact O-N 2.85Å; A143-S147 WeakPolarHBondContact O-CB 3.42Å; A143-S147 PolarHBondContact O-N 2.89Å
144L79.5Confident78.1Confident71 Ų7187.5 Ų87.537%0.37246%0.456SS..Hα-helixtrans-71.6-41.9175.3-79165.2000112.5K140 V141 M146 S147 I148K140-L144 WeakPolarHBondContact O-CB 3.44Å; K140-L144 WeakPolarHBondContact O-CG 3.35Å; K140-L144 PolarHBondContact O-N 3.2Å; V141-L144 PolarHBondContact O-N 3.18Å; L144-M146 VanDerWaalsContact C-N 3.29Å; L144-M146 PolarHBondContact O-N 3.32Å; L144-S147 CarbonylContact O-C 3.57Å; L144-S147 PolarHBondContact O-N 3.3Å; L144-S147 VanDerWaalsContact O-N 3.07Å; L144-I148 VanDerWaalsContact O-CG1 3.31Å; L144-I148 WeakPolarHBondContact O-CG1 3.23Å; L144-I148 PolarHBondContact O-N 3.38Å
145E79.3Confident78.4Confident108 Ų10889.6 Ų89.651%0.50547%0.465SS..Hα-helixtrans-56-45.2173.1-71.1170.5162.300110.9V141 S147 I148 L149V141-E145 HydrophobicContact CG1-CG 4.29Å; V141-E145 WeakPolarHBondContact O-CG 3.37Å; V141-E145 PolarHBondContact O-N 3.41Å; E145-S147 PolarHBondContact O-N 2.95Å; E145-I148 PolarHBondContact O-N 3.16Å; E145-L149 WeakPolarHBondContact O-CB 3.44Å; E145-L149 WeakPolarHBondContact O-CG 3.37Å; E145-L149 PolarHBondContact O-N 3.27Å
146M79.3Confident78.6Confident128 Ų12887.4 Ų87.463%0.63146%0.463SS*.Hα-helixtrans-66-34.4174.7-71.6-59.5-54.400113.3R142 L144 L149 A150R142-M146 WeakPolarHBondContact O-CB 3.12Å; R142-M146 VanDerWaalsContact O-CG 3.32Å; R142-M146 WeakPolarHBondContact O-CG 3.26Å; R142-M146 PolarHBondContact O-N 3.45Å; L144-M146 VanDerWaalsContact C-N 3.29Å; L144-M146 PolarHBondContact O-N 3.32Å; M146-L149 HydrophobicContact SD-CD1 4.31Å; M146-A150 WeakPolarHBondContact O-CB 3.23Å; M146-A150 PolarHBondContact O-N 2.92Å
147S81.6Confident79.1Confident55 Ų5590.7 Ų90.739%0.38547%0.471SS..Hα-helixtrans-72.3-36.4175.9-175.20000112.8A143 L144 E145 A150 K151A143-S147 WeakPolarHBondContact O-CB 3.42Å; A143-S147 PolarHBondContact O-N 2.89Å; L144-S147 CarbonylContact O-C 3.57Å; L144-S147 PolarHBondContact O-N 3.3Å; L144-S147 VanDerWaalsContact O-N 3.07Å; E145-S147 PolarHBondContact O-N 2.95Å; S147-A150 PolarHBondContact O-N 2.89Å; S147-K151 WeakPolarHBondContact O-CG 3.43Å; S147-K151 PolarHBondContact O-N 2.89Å
148I76.6Confident79.7Confident95 Ų9591.7 Ų91.749%0.48748%0.475SS..Hα-helixtrans-66.5-49.8173.9-68.4164.9000109.2L144 E145 A150 K151 D152L144-I148 VanDerWaalsContact O-CG1 3.31Å; L144-I148 WeakPolarHBondContact O-CG1 3.23Å; L144-I148 PolarHBondContact O-N 3.38Å; E145-I148 PolarHBondContact O-N 3.16Å; I148-A150 VanDerWaalsContact C-N 3.25Å; I148-A150 PolarHBondContact O-N 3.48Å; I148-K151 CarbonylContact O-C 3.57Å; I148-K151 PolarHBondContact O-N 3.13Å; I148-D152 WeakPolarHBondContact O-CB 3.35Å; I148-D152 PolarHBondContact O-N 3.04Å
149L80.4Confident80Confident103 Ų10392.6 Ų92.654%0.53948%0.478SS..Hα-helixtrans-55.1-39.6173.9-76167.7000112.5E145 M146 T153E145-L149 WeakPolarHBondContact O-CB 3.44Å; E145-L149 WeakPolarHBondContact O-CG 3.37Å; E145-L149 PolarHBondContact O-N 3.27Å; M146-L149 HydrophobicContact SD-CD1 4.31Å; L149-T153 VanDerWaalsContact O-CG2 3.3Å; L149-T153 WeakPolarHBondContact O-CG2 3.42Å; L149-T153 PolarHBondContact O-N 3.15Å; L149-T153 VanDerWaalsContact O-N 3.13Å
150A78.9Confident80.4Confident48 Ų4891.7 Ų91.740%0.39748%0.477SS..Hα-helixtrans-63-51.7173.900000111.7M146 S147 I148 D152 T153 E154M146-A150 WeakPolarHBondContact O-CB 3.23Å; M146-A150 PolarHBondContact O-N 2.92Å; S147-A150 PolarHBondContact O-N 2.89Å; I148-A150 VanDerWaalsContact C-N 3.25Å; I148-A150 PolarHBondContact O-N 3.48Å; A150-D152 VanDerWaalsContact C-N 3.35Å; A150-D152 PolarHBondContact O-N 3.21Å; A150-T153 PolarHBondContact O-N 2.86Å; A150-T153 VanDerWaalsContact O-N 3.17Å; A150-T153 PolarHBondContact O-OG1 3.28Å; A150-E154 PolarHBondContact O-N 2.88Å
151K83.1Confident80.7Confident140 Ų14095.2 Ų95.261%0.60949%0.494SS*.Hα-helixtrans-59.9-40.4178-75.5-178178.4-177.20112.7S147 I148 T153 E154 F155S147-K151 WeakPolarHBondContact O-CG 3.43Å; S147-K151 PolarHBondContact O-N 2.89Å; I148-K151 CarbonylContact O-C 3.57Å; I148-K151 PolarHBondContact O-N 3.13Å; K151-T153 VanDerWaalsContact C-N 3.33Å; K151-T153 PolarHBondContact O-N 3.1Å; K151-E154 PolarHBondContact O-N 3.06Å; K151-E154 VanDerWaalsContact O-N 3.17Å; K151-F155 WeakPolarHBondContact O-CB 3.44Å; K151-F155 PolarHBondContact O-N 3.03Å
152D79.8Confident81.1Confident93 Ų9398.6 Ų98.650%0.49750%0.504SS..Hα-helixtrans-63.4-39.1176.7-71-16.8000111.4I148 A150 A156I148-D152 WeakPolarHBondContact O-CB 3.35Å; I148-D152 PolarHBondContact O-N 3.04Å; A150-D152 VanDerWaalsContact C-N 3.35Å; A150-D152 PolarHBondContact O-N 3.21Å; D152-A156 VanDerWaalsContact O-CB 3.25Å; D152-A156 WeakPolarHBondContact O-CB 3.28Å; D152-A156 PolarHBondContact O-N 3.05Å
153T83.4Confident81.3Confident77 Ų7798.1 Ų98.147%0.47251%0.507SS..Hα-helixtrans-70.6-29.3174.667.30000113.3L149 A150 K151 K157L149-T153 VanDerWaalsContact O-CG2 3.3Å; L149-T153 WeakPolarHBondContact O-CG2 3.42Å; L149-T153 PolarHBondContact O-N 3.15Å; L149-T153 VanDerWaalsContact O-N 3.13Å; A150-T153 PolarHBondContact O-N 2.86Å; A150-T153 VanDerWaalsContact O-N 3.17Å; A150-T153 PolarHBondContact O-OG1 3.28Å; K151-T153 VanDerWaalsContact C-N 3.33Å; K151-T153 PolarHBondContact O-N 3.1Å; T153-K157 WeakPolarHBondContact O-CD 3.41Å; T153-K157 VanDerWaalsContact O-CG 3.26Å; T153-K157 WeakPolarHBondContact O-CG 3.46Å; T153-K157 PolarHBondContact O-N 3.48Å
154E80.4Confident81.6Confident129 Ų12998.9 Ų98.960%0.60351%0.508SS*.Hα-helixtrans-75-42.2173-70.1-171.716100111.7A150 K151 A156 K157 C158A150-E154 PolarHBondContact O-N 2.88Å; K151-E154 PolarHBondContact O-N 3.06Å; K151-E154 VanDerWaalsContact O-N 3.17Å; E154-A156 PolarHBondContact O-N 3.11Å; E154-K157 PolarHBondContact O-N 2.61Å; E154-C158 WeakPolarHBondContact O-CB 3.44Å; E154-C158 PolarHBondContact O-N 2.98Å
155F81.1Confident81.9Confident141 Ų14198 Ų9862%0.61851%0.508SS*.Hα-helixtrans-61.4-42.6173.1-177-101.7000111.4K151 K157 C158 K159K151-F155 WeakPolarHBondContact O-CB 3.44Å; K151-F155 PolarHBondContact O-N 3.03Å; F155-K157 PolarHBondContact O-N 3.49Å; F155-C158 PolarHBondContact O-N 3.1Å; F155-K159 HydrophobicContact CE1-CD 4.34Å; F155-K159 VanDerWaalsContact O-CB 3.25Å; F155-K159 WeakPolarHBondContact O-CB 3.47Å; F155-K159 PolarHBondContact O-N 2.95Å
156A79.6Confident82.1Confident45 Ų4597.1 Ų97.137%0.37251%0.506SS..Hα-helixtrans-61.6-41174.300000112.6D152 E154 N160D152-A156 VanDerWaalsContact O-CB 3.25Å; D152-A156 WeakPolarHBondContact O-CB 3.28Å; D152-A156 PolarHBondContact O-N 3.05Å; E154-A156 PolarHBondContact O-N 3.11Å; A156-N160 WeakPolarHBondContact O-CB 3.29Å; A156-N160 PolarHBondContact O-N 3.1Å; A156-N160 PolarHBondContact O-ND2 3.33Å
157K83.9Confident82.4Confident124 Ų12493.5 Ų93.554%0.53950%0.497SS..Hα-helixtrans-63.1-49.2173-73.1164.9-171.21630111.3T153 E154 F155 K159 N160 E161T153-K157 WeakPolarHBondContact O-CD 3.41Å; T153-K157 VanDerWaalsContact O-CG 3.26Å; T153-K157 WeakPolarHBondContact O-CG 3.46Å; T153-K157 PolarHBondContact O-N 3.48Å; E154-K157 PolarHBondContact O-N 2.61Å; F155-K157 PolarHBondContact O-N 3.49Å; K157-K159 PolarHBondContact O-N 3.42Å; K157-N160 WeakPolarHBondContact O-CB 3.34Å; K157-N160 PolarHBondContact O-N 3.49Å; K157-N160 VanDerWaalsContact O-N 3.14Å; K157-E161 WeakPolarHBondContact O-CG 3.46Å; K157-E161 PolarHBondContact O-N 3.45Å
158C82.1Confident82.7Confident55 Ų5597.9 Ų97.937%0.37251%0.505SS..Hα-helixtrans-61.1-44-179.4-167.50000111.7E154 F155 N160 E161 F162E154-C158 WeakPolarHBondContact O-CB 3.44Å; E154-C158 PolarHBondContact O-N 2.98Å; F155-C158 PolarHBondContact O-N 3.1Å; C158-N160 VanDerWaalsContact C-N 3.34Å; C158-N160 PolarHBondContact O-N 3.22Å; C158-E161 PolarHBondContact O-N 2.74Å; C158-F162 VanDerWaalsContact O-CD2 3.3Å; C158-F162 WeakPolarHBondContact O-CD2 3.46Å; C158-F162 PolarHBondContact O-N 2.75Å; C158-F162 WeakPolarHBondContact SG-CE2 3.45Å
159K85Confident83.1Confident111 Ų11198 Ų9848%0.48351%0.506SS..Hα-helixtrans-59.1-41.7173.3-176.8171.5-178.7173.20112.1F155 K157 F162 Q163F155-K159 HydrophobicContact CE1-CD 4.34Å; F155-K159 VanDerWaalsContact O-CB 3.25Å; F155-K159 WeakPolarHBondContact O-CB 3.47Å; F155-K159 PolarHBondContact O-N 2.95Å; K157-K159 PolarHBondContact O-N 3.42Å; K159-F162 PolarHBondContact O-N 3.38Å; K159-Q163 WeakPolarHBondContact O-CB 3.39Å; K159-Q163 WeakPolarHBondContact O-CG 3.35Å; K159-Q163 PolarHBondContact O-N 2.97Å
160N84.9Confident83.3Confident94 Ų9499 Ų9950%0.50351%0.508SS..Hα-helixtrans-68.2-36.6176.2-69.5-18.4000112.4A156 K157 C158 S164A156-N160 WeakPolarHBondContact O-CB 3.29Å; A156-N160 PolarHBondContact O-N 3.1Å; A156-N160 PolarHBondContact O-ND2 3.33Å; K157-N160 WeakPolarHBondContact O-CB 3.34Å; K157-N160 PolarHBondContact O-N 3.49Å; K157-N160 VanDerWaalsContact O-N 3.14Å; C158-N160 VanDerWaalsContact C-N 3.34Å; C158-N160 PolarHBondContact O-N 3.22Å; N160-S164 VanDerWaalsContact O-CB 3.29Å; N160-S164 WeakPolarHBondContact O-CB 3.43Å; N160-S164 PolarHBondContact O-N 3.13Å; N160-S164 PolarHBondContact O-OG 2.88Å
161E85.3Confident83.6Confident132 Ų13299.7 Ų99.762%0.61751%0.513SS*.Hα-helixtrans-67.9-40.2174.1-72.9177.1-17000112.2K157 C158 S164 S165K157-E161 WeakPolarHBondContact O-CG 3.46Å; K157-E161 PolarHBondContact O-N 3.45Å; C158-E161 PolarHBondContact O-N 2.74Å; E161-S164 PolarHBondContact O-N 2.97Å; E161-S165 WeakPolarHBondContact O-CB 3.49Å; E161-S165 PolarHBondContact O-N 3.34Å; E161-S165 PolarHBondContact O-OG 2.74Å
162F81.4Confident83.8Confident135 Ų13598.2 Ų98.259%0.59251%0.509SS*.Hα-helixtrans-65.2-46.8172.1-84.9-63.5000112.2C158 K159 S164 S165 I166C158-F162 VanDerWaalsContact O-CD2 3.3Å; C158-F162 WeakPolarHBondContact O-CD2 3.46Å; C158-F162 PolarHBondContact O-N 2.75Å; C158-F162 WeakPolarHBondContact SG-CE2 3.45Å; K159-F162 PolarHBondContact O-N 3.38Å; F162-S164 VanDerWaalsContact C-N 3.32Å; F162-S164 PolarHBondContact O-N 3.36Å; F162-S165 WeakPolarHBondContact O-CB 3.46Å; F162-S165 PolarHBondContact O-N 3.13Å; F162-S165 VanDerWaalsContact O-N 3.13Å; F162-I166 WeakPolarHBondContact O-CG1 3.28Å; F162-I166 PolarHBondContact O-N 3.21Å
163Q83.5Confident84.1Confident113 Ų11398.4 Ų98.453%0.52851%0.509SS..Hα-helixtrans-60.6-40.6175.2-76.8-175.5-1500112K159 S165 I166 A167K159-Q163 WeakPolarHBondContact O-CB 3.39Å; K159-Q163 WeakPolarHBondContact O-CG 3.35Å; K159-Q163 PolarHBondContact O-N 2.97Å; Q163-S165 VanDerWaalsContact C-N 3.32Å; Q163-S165 PolarHBondContact O-N 2.94Å; Q163-I166 PolarHBondContact O-N 3.42Å; Q163-A167 WeakPolarHBondContact O-CB 3.27Å; Q163-A167 PolarHBondContact O-N 3.47Å
164S85Confident84.2Confident79 Ų7997.4 Ų97.455%0.55251%0.509SS*.Hα-helixtrans-62.9-38.6174.2-60.20000112.2N160 E161 F162 R168N160-S164 VanDerWaalsContact O-CB 3.29Å; N160-S164 WeakPolarHBondContact O-CB 3.43Å; N160-S164 PolarHBondContact O-N 3.13Å; N160-S164 PolarHBondContact O-OG 2.88Å; E161-S164 PolarHBondContact O-N 2.97Å; F162-S164 VanDerWaalsContact C-N 3.32Å; F162-S164 PolarHBondContact O-N 3.36Å; S164-R168 WeakPolarHBondContact O-CB 3.36Å; S164-R168 PolarHBondContact O-N 2.75Å
165S85.4Confident84.5Confident54 Ų5498.1 Ų98.138%0.37851%0.51SS..Hα-helixtrans-69.9-40.5176.9-61.50000112.3E161 F162 Q163 R168 L169E161-S165 WeakPolarHBondContact O-CB 3.49Å; E161-S165 PolarHBondContact O-N 3.34Å; E161-S165 PolarHBondContact O-OG 2.74Å; F162-S165 WeakPolarHBondContact O-CB 3.46Å; F162-S165 PolarHBondContact O-N 3.13Å; F162-S165 VanDerWaalsContact O-N 3.13Å; Q163-S165 VanDerWaalsContact C-N 3.32Å; Q163-S165 PolarHBondContact O-N 2.94Å; S165-R168 PolarHBondContact O-N 2.89Å; S165-L169 WeakPolarHBondContact O-CB 3.43Å; S165-L169 WeakPolarHBondContact O-CG 3.36Å; S165-L169 PolarHBondContact O-N 3.4Å
166I83.7Confident84.7Confident88 Ų8894 Ų9445%0.45150%0.499SS..Hα-helixtrans-62.8-47.3173.9-69.6166.6000110.2F162 Q163 R168 L169 Q170F162-I166 WeakPolarHBondContact O-CG1 3.28Å; F162-I166 PolarHBondContact O-N 3.21Å; Q163-I166 PolarHBondContact O-N 3.42Å; I166-R168 VanDerWaalsContact C-N 3.32Å; I166-R168 PolarHBondContact O-N 3.31Å; I166-L169 PolarHBondContact O-N 2.87Å; I166-Q170 HydrophobicContact CG2-CG 4.27Å; I166-Q170 WeakPolarHBondContact O-CB 3.45Å; I166-Q170 WeakPolarHBondContact O-CG 3.32Å; I166-Q170 PolarHBondContact O-N 2.85Å
167A84.6Confident84.9Confident53 Ų5396.8 Ų96.844%0.43850%0.504SS..Hα-helixtrans-59.9-41177.100000112.1Q163 Q170 A171Q163-A167 WeakPolarHBondContact O-CB 3.27Å; Q163-A167 PolarHBondContact O-N 3.47Å; A167-Q170 PolarHBondContact O-N 3.24Å; A167-A171 PolarHBondContact O-N 3.45Å
168R87.9Confident85.1Confident146 Ų14697 Ų9755%0.55151%0.507SS*.Hα-helixtrans-62.1-46.6174.3-170.5-178.368.273.6-1.4111.9S164 S165 I166 A171 E172S164-R168 WeakPolarHBondContact O-CB 3.36Å; S164-R168 PolarHBondContact O-N 2.75Å; S165-R168 PolarHBondContact O-N 2.89Å; I166-R168 VanDerWaalsContact C-N 3.32Å; I166-R168 PolarHBondContact O-N 3.31Å; R168-A171 PolarHBondContact O-N 3.46Å; R168-E172 IonicContact NH1-OE2 3.79Å; R168-E172 PolarHBondContact NH1-OE2 2.97Å; R168-E172 WeakPolarHBondContact O-CB 3.29Å; R168-E172 PolarHBondContact O-N 2.83Å
169L85.4Confident85.3Confident97 Ų9796 Ų9651%0.50850%0.499SS..Hα-helixtrans-67.8-35.1178.9-71.7171.9000112.6S165 I166 E172 L173S165-L169 WeakPolarHBondContact O-CB 3.43Å; S165-L169 WeakPolarHBondContact O-CG 3.36Å; S165-L169 PolarHBondContact O-N 3.4Å; I166-L169 PolarHBondContact O-N 2.87Å; L169-E172 PolarHBondContact O-N 2.93Å; L169-L173 VanDerWaalsContact O-CB 3.23Å; L169-L173 WeakPolarHBondContact O-CB 3.29Å; L169-L173 PolarHBondContact O-N 3.46Å
170Q84.6Confident85.2Confident124 Ų12494.6 Ų94.658%0.57950%0.497SS*.Hα-helixtrans-65-42.2173.3-75.9174.7-20.500111.7I166 A167 L173 A174I166-Q170 HydrophobicContact CG2-CG 4.27Å; I166-Q170 WeakPolarHBondContact O-CB 3.45Å; I166-Q170 WeakPolarHBondContact O-CG 3.32Å; I166-Q170 PolarHBondContact O-N 2.85Å; A167-Q170 PolarHBondContact O-N 3.24Å; Q170-L173 PolarHBondContact O-N 3.37Å; Q170-A174 WeakPolarHBondContact O-CB 3.23Å; Q170-A174 PolarHBondContact O-N 3.25Å
171A85.9Confident85.2Confident63 Ų6396.6 Ų96.652%0.52150%0.501SS..Hα-helixtrans-64.3-42.3174.300000112.2A167 R168 A174 F175A167-A171 PolarHBondContact O-N 3.45Å; R168-A171 PolarHBondContact O-N 3.46Å; A171-A174 PolarHBondContact O-N 3.03Å; A171-F175 WeakPolarHBondContact O-CB 3.33Å; A171-F175 PolarHBondContact O-N 3.32Å
172E87.1Confident85.3Confident109 Ų10997.4 Ų97.451%0.50950%0.499SS..Hα-helixtrans-66.3-39.4177.2-168.1162.4-163.900111.8R168 L169 F175 S176R168-E172 IonicContact NH1-OE2 3.79Å; R168-E172 PolarHBondContact NH1-OE2 2.97Å; R168-E172 WeakPolarHBondContact O-CB 3.29Å; R168-E172 PolarHBondContact O-N 2.83Å; L169-E172 PolarHBondContact O-N 2.93Å; E172-F175 PolarHBondContact O-N 3.49Å; E172-S176 WeakPolarHBondContact O-CB 3.19Å; E172-S176 PolarHBondContact O-N 2.97Å
173L86.8Confident85.5Confident98 Ų9897.2 Ų97.251%0.51350%0.495SS..Hα-helixtrans-65.1-45.4172.5-179.463000112L169 Q170 F175 S176 Q177L169-L173 VanDerWaalsContact O-CB 3.23Å; L169-L173 WeakPolarHBondContact O-CB 3.29Å; L169-L173 PolarHBondContact O-N 3.46Å; Q170-L173 PolarHBondContact O-N 3.37Å; L173-F175 VanDerWaalsContact C-N 3.33Å; L173-F175 PolarHBondContact O-N 2.85Å; L173-S176 PolarHBondContact O-N 3.5Å; L173-Q177 HydrophobicContact CD1-CG 4.3Å; L173-Q177 HydrophobicContact CG-CG 4.47Å; L173-Q177 WeakPolarHBondContact O-CB 3.41Å; L173-Q177 VanDerWaalsContact O-CG 3.32Å; L173-Q177 WeakPolarHBondContact O-CG 3.46Å; L173-Q177 PolarHBondContact O-N 2.95Å
174A84.8Confident85.5Confident56 Ų56100.7 Ų100.746%0.46350%0.503SS..Hα-helixtrans-61.7-41.4177.300000111.7Q170 A171 Q177 H178Q170-A174 WeakPolarHBondContact O-CB 3.23Å; Q170-A174 PolarHBondContact O-N 3.25Å; A171-A174 PolarHBondContact O-N 3.03Å; A174-Q177 PolarHBondContact O-N 3.05Å; A174-H178 WeakPolarHBondContact O-CB 3.41Å; A174-H178 PolarHBondContact O-N 3.46Å
175F86.4Confident85.5Confident143 Ų143105.4 Ų105.463%0.62751%0.509SS*.Hα-helixtrans-63.2-43.6173.7-178.2-96.4000112.4A171 E172 L173 H178 T179A171-F175 WeakPolarHBondContact O-CB 3.33Å; A171-F175 PolarHBondContact O-N 3.32Å; E172-F175 PolarHBondContact O-N 3.49Å; L173-F175 VanDerWaalsContact C-N 3.33Å; L173-F175 PolarHBondContact O-N 2.85Å; F175-H178 PolarHBondContact O-N 3.21Å; F175-T179 HydrophobicContact CE1-CG2 4.28Å; F175-T179 HydrophobicContact CZ-CG2 4.3Å; F175-T179 PolarHBondContact O-N 2.79Å; F175-T179 PolarHBondContact O-OG1 3.36Å
176S84.3Confident85.4Confident54 Ų54105.5 Ų105.538%0.37850%0.503SS..Hα-helixtrans-65.2-37.9175.9-1770000112.8E172 L173 T179 N180E172-S176 WeakPolarHBondContact O-CB 3.19Å; E172-S176 PolarHBondContact O-N 2.97Å; L173-S176 PolarHBondContact O-N 3.5Å; S176-T179 WeakPolarHBondContact CA-OG1 3.31Å; S176-T179 PolarHBondContact O-OG1 2.88Å; S176-T179 VanDerWaalsContact O-OG1 3.1Å; S176-N180 VanDerWaalsContact O-CB 3.32Å; S176-N180 WeakPolarHBondContact O-CB 3.39Å; S176-N180 PolarHBondContact O-N 3.28Å; S176-N180 PolarHBondContact O-ND2 2.87Å
177Q85.6Confident85.4Confident105 Ų105105.7 Ų105.749%0.49150%0.504SS..Hα-helixtrans-68.1-39.3173.9-73.9-179.75.600111.9L173 A174 N180 K181L173-Q177 HydrophobicContact CD1-CG 4.3Å; L173-Q177 HydrophobicContact CG-CG 4.47Å; L173-Q177 WeakPolarHBondContact O-CB 3.41Å; L173-Q177 VanDerWaalsContact O-CG 3.32Å; L173-Q177 WeakPolarHBondContact O-CG 3.46Å; L173-Q177 PolarHBondContact O-N 2.95Å; A174-Q177 PolarHBondContact O-N 3.05Å; Q177-N180 PolarHBondContact O-N 3.24Å; Q177-K181 WeakPolarHBondContact O-CB 3.49Å; Q177-K181 WeakPolarHBondContact O-CG 3.36Å; Q177-K181 PolarHBondContact O-N 2.96Å
178H86.4Confident85.3Confident129 Ų129109.6 Ų109.660%0.59751%0.513SS*.Hα-helixtrans-64.8-45.4175.9-177.8-99000111.8A174 F175 K181 R182A174-H178 WeakPolarHBondContact O-CB 3.41Å; A174-H178 PolarHBondContact O-N 3.46Å; F175-H178 PolarHBondContact O-N 3.21Å; H178-K181 PolarHBondContact O-N 2.65Å; H178-R182 PolarHBondContact O-N 3.04Å
179T86.4Confident84.9Confident32 Ų32108.5 Ų108.520%0.19652%0.516CS..Hα-helixtrans-65.2-41.1174.739.20000112.2F175 S176 K181 R182 Y183F175-T179 HydrophobicContact CE1-CG2 4.28Å; F175-T179 HydrophobicContact CZ-CG2 4.3Å; F175-T179 PolarHBondContact O-N 2.79Å; F175-T179 PolarHBondContact O-OG1 3.36Å; S176-T179 WeakPolarHBondContact CA-OG1 3.31Å; S176-T179 PolarHBondContact O-OG1 2.88Å; S176-T179 VanDerWaalsContact O-OG1 3.1Å; T179-K181 PolarHBondContact O-N 3.26Å; T179-R182 WeakPolarHBondContact O-CB 3.2Å; T179-R182 PolarHBondContact O-N 3.33Å; T179-R182 VanDerWaalsContact O-N 3.17Å; T179-Y183 WeakPolarHBondContact O-CD2 3.36Å; T179-Y183 PolarHBondContact O-N 3.33Å
180N84.7Confident84.8Confident83 Ų83110 Ų11044%0.44452%0.518SS..Hα-helixtrans-62.1-40172.5-89.8-72.1000113.2S176 Q177 R182 Y183 R184S176-N180 VanDerWaalsContact O-CB 3.32Å; S176-N180 WeakPolarHBondContact O-CB 3.39Å; S176-N180 PolarHBondContact O-N 3.28Å; S176-N180 PolarHBondContact O-ND2 2.87Å; Q177-N180 PolarHBondContact O-N 3.24Å; N180-R182 VanDerWaalsContact C-N 3.3Å; N180-R182 PolarHBondContact O-N 2.98Å; N180-Y183 PolarHBondContact O-N 3.1Å; N180-R184 WeakPolarHBondContact O-CB 3.4Å; N180-R184 WeakPolarHBondContact O-CG 3.46Å; N180-R184 PolarHBondContact O-N 3.48Å
181K84.8Confident84.6Confident135 Ų135112.2 Ų112.259%0.58752%0.522SS*.Hα-helixtrans-61.6-38.8173.3-80.1177.8178.4176.20111.5Q177 H178 T179 R185Q177-K181 WeakPolarHBondContact O-CB 3.49Å; Q177-K181 WeakPolarHBondContact O-CG 3.36Å; Q177-K181 PolarHBondContact O-N 2.96Å; H178-K181 PolarHBondContact O-N 2.65Å; T179-K181 PolarHBondContact O-N 3.26Å; K181-R185 WeakPolarHBondContact O-CG 3.45Å; K181-R185 PolarHBondContact O-N 3.45Å
182R85.8Confident84.3Confident150 Ų150113.1 Ų113.157%0.56652%0.521SS*.Hα-helixtrans-63.6-52.8173.2178.3-179.4170.3170.6-0.7111.8H178 T179 N180 R184 R185 E186H178-R182 PolarHBondContact O-N 3.04Å; T179-R182 WeakPolarHBondContact O-CB 3.2Å; T179-R182 PolarHBondContact O-N 3.33Å; T179-R182 VanDerWaalsContact O-N 3.17Å; N180-R182 VanDerWaalsContact C-N 3.3Å; N180-R182 PolarHBondContact O-N 2.98Å; R182-R184 VanDerWaalsContact C-N 3.3Å; R182-R184 PolarHBondContact O-N 3.49Å; R182-R185 WeakPolarHBondContact O-CB 3.41Å; R182-R185 PolarHBondContact O-N 3.01Å; R182-E186 WeakPolarHBondContact CG-OE1 3.35Å; R182-E186 IonicContact CZ-OE1 3.4Å; R182-E186 IonicContact NE-OE1 3.68Å; R182-E186 PolarHBondContact NE-OE1 3.21Å; R182-E186 IonicContact NH2-OE1 3.28Å; R182-E186 PolarHBondContact NH2-OE1 2.78Å; R182-E186 PolarHBondContact O-N 3.4Å
183Y86.3Confident84.1Confident130 Ų130113.4 Ų113.451%0.5152%0.522SS..Hα-helixtrans-61.5-35.7179.4-65.2-46.4000112.8T179 N180 R185 E186 I187T179-Y183 WeakPolarHBondContact O-CD2 3.36Å; T179-Y183 PolarHBondContact O-N 3.33Å; N180-Y183 PolarHBondContact O-N 3.1Å; Y183-R185 PolarHBondContact O-N 3.4Å; Y183-E186 WeakPolarHBondContact CD1-OE2 3.04Å; Y183-E186 PolarHBondContact O-N 3.3Å; Y183-I187 WeakPolarHBondContact O-CB 3.5Å; Y183-I187 VanDerWaalsContact O-CG1 3.27Å; Y183-I187 WeakPolarHBondContact O-CG1 3.46Å; Y183-I187 PolarHBondContact O-N 2.86Å
184R84.4Confident83.8Confident187 Ų187110.8 Ų110.871%0.70652%0.515SS*.Hα-helixtrans-61.8-40.1172.7-76.5-176-177.4-160.72.2112.4N180 R182 Q188N180-R184 WeakPolarHBondContact O-CB 3.4Å; N180-R184 WeakPolarHBondContact O-CG 3.46Å; N180-R184 PolarHBondContact O-N 3.48Å; R182-R184 VanDerWaalsContact C-N 3.3Å; R182-R184 PolarHBondContact O-N 3.49Å; R184-Q188 VanDerWaalsContact O-CB 3.26Å; R184-Q188 WeakPolarHBondContact O-CB 3.38Å; R184-Q188 PolarHBondContact O-N 3.47Å
185R83.2Confident83.6Confident178 Ų178111.8 Ų111.867%0.67251%0.512SS*.Hα-helixtrans-65-45.3174.6-70171.9179.9167.5-1.5111.5K181 R182 Y183 Q188 M189K181-R185 WeakPolarHBondContact O-CG 3.45Å; K181-R185 PolarHBondContact O-N 3.45Å; R182-R185 WeakPolarHBondContact O-CB 3.41Å; R182-R185 PolarHBondContact O-N 3.01Å; Y183-R185 PolarHBondContact O-N 3.4Å; R185-Q188 PolarHBondContact O-N 3.47Å; R185-M189 WeakPolarHBondContact O-CG 3.44Å; R185-M189 PolarHBondContact O-N 2.87Å
186E84.1Confident83.2Confident55 Ų55110.5 Ų110.526%0.25751%0.512SS..Hα-helixtrans-61.1-48.1177.3-69.2170.4-178.600111.3R182 Y183 Q188 M189 F190R182-E186 WeakPolarHBondContact CG-OE1 3.35Å; R182-E186 IonicContact CZ-OE1 3.4Å; R182-E186 IonicContact NE-OE1 3.68Å; R182-E186 PolarHBondContact NE-OE1 3.21Å; R182-E186 IonicContact NH2-OE1 3.28Å; R182-E186 PolarHBondContact NH2-OE1 2.78Å; R182-E186 PolarHBondContact O-N 3.4Å; Y183-E186 WeakPolarHBondContact CD1-OE2 3.04Å; Y183-E186 PolarHBondContact O-N 3.3Å; E186-Q188 VanDerWaalsContact C-N 3.31Å; E186-Q188 PolarHBondContact O-N 3.06Å; E186-M189 PolarHBondContact O-N 3.19Å; E186-F190 HydrophobicContact CB-CE2 4.48Å; E186-F190 WeakPolarHBondContact O-CD2 3.44Å; E186-F190 PolarHBondContact O-N 3.3Å
187I83.8Confident83.1Confident93 Ų93113 Ų11348%0.47752%0.52SS..Hα-helixtrans-60.9-38174.6-68.8166.8000111.9Y183 F190 R191Y183-I187 WeakPolarHBondContact O-CB 3.5Å; Y183-I187 VanDerWaalsContact O-CG1 3.27Å; Y183-I187 WeakPolarHBondContact O-CG1 3.46Å; Y183-I187 PolarHBondContact O-N 2.86Å; I187-F190 PolarHBondContact O-N 3.06Å; I187-R191 HydrophobicContact CG2-CG 4.48Å; I187-R191 WeakPolarHBondContact O-CG 3.07Å; I187-R191 PolarHBondContact O-N 3.21Å
188Q82.3Confident82.8Confident135 Ų135115 Ų11563%0.63152%0.524SS*.Hα-helixtrans-69.5-37.5179.8-169.4161.7-4.400111.9R184 R185 E186 R191 T192R184-Q188 VanDerWaalsContact O-CB 3.26Å; R184-Q188 WeakPolarHBondContact O-CB 3.38Å; R184-Q188 PolarHBondContact O-N 3.47Å; R185-Q188 PolarHBondContact O-N 3.47Å; E186-Q188 VanDerWaalsContact C-N 3.31Å; E186-Q188 PolarHBondContact O-N 3.06Å; Q188-R191 PolarHBondContact O-N 3.33Å; Q188-T192 PolarHBondContact O-N 2.85Å; Q188-T192 PolarHBondContact O-OG1 3.22Å
189M80.8Confident82.3Confident122 Ų122111.5 Ų111.560%0.60152%0.517SS*.Hα-helixtrans-62.2-46.5169.9-67.9-168.4-54.500111.8R185 E186 R191 T192 E193R185-M189 WeakPolarHBondContact O-CG 3.44Å; R185-M189 PolarHBondContact O-N 2.87Å; E186-M189 PolarHBondContact O-N 3.19Å; M189-R191 VanDerWaalsContact C-N 3.28Å; M189-R191 PolarHBondContact O-N 3.47Å; M189-T192 WeakPolarHBondContact CA-OG1 3.5Å; M189-T192 PolarHBondContact O-N 3.31Å; M189-T192 PolarHBondContact O-OG1 2.78Å; M189-E193 WeakPolarHBondContact O-CB 3.49Å; M189-E193 PolarHBondContact O-N 3.23Å
190F81.8Confident81.8Confident128 Ų128113.8 Ų113.856%0.56153%0.531SS*.Hα-helixtrans-63.4-32.5176.8-70.5-53.3000112.9E186 I187 A194E186-F190 HydrophobicContact CB-CE2 4.48Å; E186-F190 WeakPolarHBondContact O-CD2 3.44Å; E186-F190 PolarHBondContact O-N 3.3Å; I187-F190 PolarHBondContact O-N 3.06Å; F190-A194 WeakPolarHBondContact O-CB 3.25Å; F190-A194 PolarHBondContact O-N 3.34Å
191R80.9Confident81.2Confident172 Ų172115.6 Ų115.665%0.64954%0.54SS*.Hα-helixtrans-67.8-46.3173.2-78.9-176.7179.2-167.1-0.6111.9I187 Q188 M189 E193 A194 D195I187-R191 HydrophobicContact CG2-CG 4.48Å; I187-R191 WeakPolarHBondContact O-CG 3.07Å; I187-R191 PolarHBondContact O-N 3.21Å; Q188-R191 PolarHBondContact O-N 3.33Å; M189-R191 VanDerWaalsContact C-N 3.28Å; M189-R191 PolarHBondContact O-N 3.47Å; R191-E193 VanDerWaalsContact C-N 3.32Å; R191-E193 PolarHBondContact O-N 3.02Å; R191-A194 PolarHBondContact O-N 3.01Å; R191-D195 WeakPolarHBondContact O-CB 3.42Å; R191-D195 VanDerWaalsContact O-CG 3.3Å; R191-D195 PolarHBondContact O-N 2.99Å
192T80.6Confident80.4Confident81 Ų81114.5 Ų114.550%0.49754%0.537SS..Hα-helixtrans-60.8-42.2175.444.10000111.7Q188 M189 A194 D195 D196Q188-T192 PolarHBondContact O-N 2.85Å; Q188-T192 PolarHBondContact O-OG1 3.22Å; M189-T192 WeakPolarHBondContact CA-OG1 3.5Å; M189-T192 PolarHBondContact O-N 3.31Å; M189-T192 PolarHBondContact O-OG1 2.78Å; T192-A194 PolarHBondContact O-N 3.48Å; T192-D195 PolarHBondContact O-N 2.91Å; T192-D196 WeakPolarHBondContact O-CB 3.31Å; T192-D196 PolarHBondContact O-N 3.34Å
193E82.7Confident79.5Confident115 Ų115111.8 Ų111.854%0.53754%0.537SS..Hα-helixtrans-64.4-40175.6-172.7175.7-161.800112.1M189 R191 L197M189-E193 WeakPolarHBondContact O-CB 3.49Å; M189-E193 PolarHBondContact O-N 3.23Å; R191-E193 VanDerWaalsContact C-N 3.32Å; R191-E193 PolarHBondContact O-N 3.02Å; E193-L197 HydrophobicContact CG-CD1 4.35Å; E193-L197 VanDerWaalsContact O-CB 3.32Å; E193-L197 WeakPolarHBondContact O-CB 3.39Å; E193-L197 VanDerWaalsContact O-CG 3.23Å; E193-L197 WeakPolarHBondContact O-CG 3.4Å; E193-L197 PolarHBondContact O-N 3.35Å
194A80.2Confident78.3Confident44 Ų44109.7 Ų109.736%0.36454%0.537SS..Hα-helixtrans-70.9-33.2176.800000113.5F190 R191 T192 R198F190-A194 WeakPolarHBondContact O-CB 3.25Å; F190-A194 PolarHBondContact O-N 3.34Å; R191-A194 PolarHBondContact O-N 3.01Å; T192-A194 PolarHBondContact O-N 3.48Å; A194-R198 WeakPolarHBondContact O-CB 3.42Å; A194-R198 PolarHBondContact O-N 2.92Å
195D79.3Confident76.9Confident77 Ų77106.8 Ų106.841%0.41254%0.536SS..Hα-helixtrans-76-37176.4-69.8-26.5000111R191 T192 R198 A199R191-D195 WeakPolarHBondContact O-CB 3.42Å; R191-D195 VanDerWaalsContact O-CG 3.3Å; R191-D195 PolarHBondContact O-N 2.99Å; T192-D195 PolarHBondContact O-N 2.91Å; D195-R198 PolarHBondContact O-N 2.95Å; D195-R198 IonicContact OD1-CZ 2.68Å; D195-R198 IonicContact OD1-NH1 2.66Å; D195-R198 PolarHBondContact OD1-NH1 3.31Å; D195-R198 IonicContact OD1-NH2 3.72Å; D195-R198 PolarHBondContact OD1-NH2 2.9Å; D195-A199 WeakPolarHBondContact O-CB 3.46Å; D195-A199 PolarHBondContact O-N 2.93Å
196D79.9Confident75.6Confident115 Ų115106 Ų10662%0.61554%0.538SS*.Hα-helixtrans-62.2-43169.1-76-20.7000111.7T192 A199 T200T192-D196 WeakPolarHBondContact O-CB 3.31Å; T192-D196 PolarHBondContact O-N 3.34Å; D196-A199 PolarHBondContact O-N 3.23Å; D196-T200 PolarHBondContact O-N 3.01Å; D196-T200 PolarHBondContact O-OG1 2.98Å
197L81.1Confident74Confident107 Ų107107.4 Ų107.456%0.5655%0.553SS**Hα-helixtrans-64.5-38.6172.6-77.2170.2000112.2E193 T200 L201E193-L197 HydrophobicContact CG-CD1 4.35Å; E193-L197 VanDerWaalsContact O-CB 3.32Å; E193-L197 WeakPolarHBondContact O-CB 3.39Å; E193-L197 VanDerWaalsContact O-CG 3.23Å; E193-L197 WeakPolarHBondContact O-CG 3.4Å; E193-L197 PolarHBondContact O-N 3.35Å; L197-T200 WeakPolarHBondContact CA-OG1 3.41Å; L197-T200 PolarHBondContact O-OG1 3.42Å; L197-T200 VanDerWaalsContact O-OG1 3.12Å; L197-L201 VanDerWaalsContact O-CB 3.27Å; L197-L201 WeakPolarHBondContact O-CB 3.48Å; L197-L201 PolarHBondContact O-N 2.85Å
198R79.2Confident72Confident148 Ų148110.1 Ų110.156%0.55856%0.563SS**Hα-helixtrans-67.8-42175.6-167.4-175.2-56.5114.615111A194 D195 L201 E202A194-R198 WeakPolarHBondContact O-CB 3.42Å; A194-R198 PolarHBondContact O-N 2.92Å; D195-R198 PolarHBondContact O-N 2.95Å; D195-R198 IonicContact OD1-CZ 2.68Å; D195-R198 IonicContact OD1-NH1 2.66Å; D195-R198 PolarHBondContact OD1-NH1 3.31Å; D195-R198 IonicContact OD1-NH2 3.72Å; D195-R198 PolarHBondContact OD1-NH2 2.9Å; R198-L201 PolarHBondContact O-N 3.19Å; R198-E202 VanDerWaalsContact O-CB 3.29Å; R198-E202 WeakPolarHBondContact O-CB 3.39Å; R198-E202 PolarHBondContact O-N 3.41Å
199A76.5Confident69.8Low55 Ų55109.9 Ų109.946%0.45557%0.571SS.*Hα-helixtrans-61.1-45.3176.700000111.2D195 D196 E202 T203D195-A199 WeakPolarHBondContact O-CB 3.46Å; D195-A199 PolarHBondContact O-N 2.93Å; D196-A199 PolarHBondContact O-N 3.23Å; A199-E202 PolarHBondContact O-N 2.91Å; A199-T203 PolarHBondContact O-N 2.98Å; A199-T203 PolarHBondContact O-OG1 3.23Å; A199-T203 VanDerWaalsContact O-OG1 3.12Å
200T75.1Confident67.5Low80 Ų80109 Ų10949%0.49158%0.577SS.*Hα-helixtrans-63.5-44.6173.531.90000112.2D196 L197 E202 T203 V204D196-T200 PolarHBondContact O-N 3.01Å; D196-T200 PolarHBondContact O-OG1 2.98Å; L197-T200 WeakPolarHBondContact CA-OG1 3.41Å; L197-T200 PolarHBondContact O-OG1 3.42Å; L197-T200 VanDerWaalsContact O-OG1 3.12Å; T200-E202 VanDerWaalsContact C-N 3.32Å; T200-E202 PolarHBondContact O-N 3.36Å; T200-T203 WeakPolarHBondContact CA-OG1 3.48Å; T200-T203 PolarHBondContact O-N 3.44Å; T200-T203 PolarHBondContact O-OG1 2.96Å; T200-V204 WeakPolarHBondContact O-CG2 3.44Å; T200-V204 PolarHBondContact O-N 2.88Å
201L72Confident65.6Low120 Ų120110.6 Ų110.663%0.62859%0.59SS**Hα-helixtrans-61.7-38.4176.6-164.378.6000112.1L197 R198 V204 N205L197-L201 VanDerWaalsContact O-CB 3.27Å; L197-L201 WeakPolarHBondContact O-CB 3.48Å; L197-L201 PolarHBondContact O-N 2.85Å; R198-L201 PolarHBondContact O-N 3.19Å; L201-V204 PolarHBondContact O-N 3.44Å; L201-N205 WeakPolarHBondContact O-CB 3.4Å; L201-N205 PolarHBondContact O-N 3.41Å
202E67.8Low63.3Low113 Ų113108 Ų10853%0.52859%0.589SS.*Hα-helixtrans-71.5-34179.5-165.6176.8-129.800112.1R198 A199 T200 K206R198-E202 VanDerWaalsContact O-CB 3.29Å; R198-E202 WeakPolarHBondContact O-CB 3.39Å; R198-E202 PolarHBondContact O-N 3.41Å; A199-E202 PolarHBondContact O-N 2.91Å; T200-E202 VanDerWaalsContact C-N 3.32Å; T200-E202 PolarHBondContact O-N 3.36Å; E202-K206 WeakPolarHBondContact O-CG 3.24Å; E202-K206 PolarHBondContact O-N 3.29Å; E202-K206 VanDerWaalsContact O-N 3.12Å; E202-K206 IonicContact OE2-NZ 3.97Å
203T68.5Low61.4Low93 Ų93110 Ų11057%0.57160%0.601SS**Hα-helixtrans-65.1-37.2166.540.70000113A199 T200A199-T203 PolarHBondContact O-N 2.98Å; A199-T203 PolarHBondContact O-OG1 3.23Å; A199-T203 VanDerWaalsContact O-OG1 3.12Å; T200-T203 WeakPolarHBondContact CA-OG1 3.48Å; T200-T203 PolarHBondContact O-N 3.44Å; T200-T203 PolarHBondContact O-OG1 2.96Å
204V59.6Low59.2Low85 Ų85112 Ų11252%0.51561%0.607SS.*Hα-helixtrans-68.4-42.9175172.10000110.9T200 L201 K206 S207T200-V204 WeakPolarHBondContact O-CG2 3.44Å; T200-V204 PolarHBondContact O-N 2.88Å; L201-V204 PolarHBondContact O-N 3.44Å; V204-K206 VanDerWaalsContact C-N 3.3Å; V204-K206 PolarHBondContact O-N 3.39Å; V204-S207 WeakPolarHBondContact O-CB 3.36Å; V204-S207 PolarHBondContact O-N 2.87Å; V204-S207 PolarHBondContact O-OG 2.88Å
205N56.1Low57.3Low126 Ų126117 Ų11767%0.67463%0.628SS**Hα-helixtrans-69.4-27.5-176.9-150.426.5000112.6L201 S207L201-N205 WeakPolarHBondContact O-CB 3.4Å; L201-N205 PolarHBondContact O-N 3.41Å; N205-S207 PolarHBondContact O-N 3.39Å
206K55Low55.3Low163 Ų163121.8 Ų121.871%0.70965%0.653SS**THydrogen-bonded Turntrans-66.5-9.1168.9-77.7168.2-178.4159.60114E202 V204E202-K206 WeakPolarHBondContact O-CG 3.24Å; E202-K206 PolarHBondContact O-N 3.29Å; E202-K206 VanDerWaalsContact O-N 3.12Å; E202-K206 IonicContact OE2-NZ 3.97Å; V204-K206 VanDerWaalsContact C-N 3.3Å; V204-K206 PolarHBondContact O-N 3.39Å
207S50.9Low53.3Low83 Ų83125 Ų12558%0.5866%0.661SS**THydrogen-bonded Turntrans-109.8-3.1-176.272.70000115.6V204 N205V204-S207 WeakPolarHBondContact O-CB 3.36Å; V204-S207 PolarHBondContact O-N 2.87Å; V204-S207 PolarHBondContact O-OG 2.88Å; N205-S207 PolarHBondContact O-N 3.39Å
208H40.7Very low51.3Low150 Ų150125.5 Ų125.569%0.69467%0.671SS**SBendtrans-124.9133.8-177.7-95.7-86.8000114.6
209V36.8Very low49.6Very low130 Ų130124.5 Ų124.579%0.78868%0.677SS**  trans-83.9129.4-172.9172.50000111.5
210S32.6Very low47.9Very low105 Ų105129.2 Ų129.273%0.73469%0.694SS**  trans-11125.7165.4550000119.3
211I41.1Very low46.2Very low160 Ų160132.1 Ų132.182%0.82171%0.706SS**  trans-133.3132152.1-63.1-176.6000108.7
212D33.1Very low44.8Very low118 Ų118135.3 Ų135.363%0.63172%0.717SS**  trans-85.8132.7-177.6-171.58.1000110.5K214D212-K214 IonicContact OD2-NZ 3.72Å
213V41.9Very low43.4Very low124 Ų124135.5 Ų135.575%0.75273%0.726SS**  trans-136.779.9170.1-171.40000109.2
214K35.7Very low42.1Very low156 Ų156134.3 Ų134.368%0.67872%0.722SS**  trans-68.2165.6149.3-69.2165.6-174150.80109.1D212D212-K214 IonicContact OD2-NZ 3.72Å
215D40.2Very low41Very low150 Ų150137.8 Ų137.880%0.80273%0.732SS**  trans75.589.6-179.3-51.9-26.9000115.5
216L37Very low40.2Very low176 Ų176139.4 Ų139.492%0.92174%0.736SS**  trans-173.1116.6141.4-98.4154.5000108.6
217K37.5Very low39.5Very low184 Ų184138 Ų13880%0.874%0.736SS**  trans-83.6154.3-179.1-75.4-176.2175-176.20112.1D219K217-D219 PolarHBondContact O-N 3.12Å
218P40.2Very low38.8Very low117 Ų117141.3 Ų141.376%0.7675%0.747SS**SBendtrans-90.78.1-169-627.4000116.4
219D43.1Very low38.6Very low127 Ų127144.4 Ų144.468%0.67975%0.752SS**SBendtrans-92.3-11.5-156.9-59.7-40.9000116.6K217K217-D219 PolarHBondContact O-N 3.12Å
220D41.7Very low38.6Very low154 Ų154144.5 Ų144.582%0.82475%0.748SS**SBendtrans-11010.8-165-81.5-41.6000116.9
221L38.4Very low38.6Very low141 Ų141148.1 Ų148.174%0.73875%0.753SS**  trans-98.311.2-169.7-101.2163.2000117
222H42.5Very low38.2Very low187 Ų187146.1 Ų146.187%0.86675%0.754SS**SBendtrans-91.2-1.1-174.3-94.6-63.1000117
223T39.7Very low38.3Very low116 Ų116146 Ų14671%0.71276%0.76SS**SBendtrans-120.1-2.1-169.845.20000116.3
224S41.2Very low37.7Very low68 Ų68148 Ų14848%0.47676%0.761SS.*SBendtrans-101.4-27.9-172.555.60000116Q226S224-Q226 PolarHBondContact O-N 2.85Å
225E34.9Very low37.4Very low158 Ų158146.7 Ų146.774%0.73877%0.77SS**G310 helixtrans-78.5-17.2-176.3-66.8-160.6138.400114.6N227E225-N227 VanDerWaalsContact C-N 3.27Å; E225-N227 PolarHBondContact O-N 3.43Å
226Q40.8Very low36.7Very low161 Ų161146.6 Ų146.675%0.75277%0.769SS**G310 helixtrans-75.4-10.6-171.6-141.7170.119.200114.5S224S224-Q226 PolarHBondContact O-N 2.85Å
227N39.8Very low36.3Very low134 Ų134146.1 Ų146.172%0.71777%0.767SS**G310 helixtrans-104-6.7-174.8-75.8-45.1000115.2E225E225-N227 VanDerWaalsContact C-N 3.27Å; E225-N227 PolarHBondContact O-N 3.43Å
228L35.7Very low35.8Very low152 Ų152146.7 Ų146.780%0.79677%0.769SS**SBendtrans-97.5-9.1-171.9-105.3149.5000115.4
229W36.1Very low35.2Very low215 Ų215147.5 Ų147.581%0.81477%0.772SS**SBendtrans-99-0.5-176.7-76.475.4000115
230N37.5Very low34.5Very low132 Ų132147.4 Ų147.471%0.70678%0.779SS**SBendtrans-97.214.8-168.3-77.2-31.9000115.9
231Q33Very low33.8Very low180 Ų180145.6 Ų145.684%0.84177%0.773SS**  trans-14096.9-178.7-62.7-172.321.700113.9
232S31.8Very low33.3Very low119 Ų119145 Ų14583%0.83278%0.776SS**  trans44.4157.3139.9-96.60000122.3
233P36.7Very low32.4Very low115 Ų115141 Ų14175%0.74776%0.764SS**  cis-136.51762239.5-19.8000117.5
234Q28.8Very low32Very low166 Ų166141.8 Ų141.878%0.77678%0.775SS**  trans-39.7134.1170.6-57.6169.6-3.400115
235C27.9Very low31.2Very low128 Ų128143.1 Ų143.187%0.86578%0.783SS**  trans-133.6107.4155.1-88.70000109.9
236N26.6Very low30.9Very low148 Ų148142.7 Ų142.779%0.79179%0.786SS**  trans-73.9120.8177-65.8-62000110.5
237L28.3Very low30.5Very low167 Ų167140.5 Ų140.587%0.87479%0.788SS**  trans-147.989.1162.4-106.5149.8000111.5
238K26.5Very low29.9Very low195 Ų195138.8 Ų138.885%0.84878%0.784SS**  trans22.4117.2156.2-66.9176.7177.2176.40118.7
239T28.5Very low29.5Very low134 Ų134136.8 Ų136.882%0.82278%0.783SS**PPolyproline II helixtrans-49.2132.7157.433.70000113.7
240P27.9Very low29.1Very low126 Ų126135.7 Ų135.782%0.81878%0.784SS**PPolyproline II helixtrans-92127152.713.63.8000110.7
241T26.9Very low28.6Very low116 Ų116134.9 Ų134.971%0.71279%0.789SS**PPolyproline II helixtrans-72.7141.9-178.9-49.50000112.2
242T28Very low28.3Very low128 Ų128133.1 Ų133.179%0.78579%0.791SS**  trans14.9107.2160.860.50000119.3
243V24.8Very low28.2Very low103 Ų103132.6 Ų132.662%0.62479%0.787SS**  trans-144.3117.1144.4-163.80000109.3L246V243-L246 HydrophobicContact CG1-CG 4.4Å
244S29.8Very low27.8Very low133 Ų133133.6 Ų133.693%0.9379%0.791SS**  trans-13754.5166.6-59.60000108.6
245S26Very low27.7Very low95 Ų95129.2 Ų129.266%0.66479%0.791SS**  trans-155.358.3-176.161.50000109.9
246L27.7Very low27.9Very low150 Ų150132.2 Ų132.279%0.78579%0.791SS**  trans-144102.5166-77-178000109.5V243V243-L246 HydrophobicContact CG1-CG 4.4Å
247S31.7Very low28Very low114 Ų114133.3 Ų133.380%0.79779%0.792SS**  trans-64.8142.9151.1-51.80000108.8
248P28.7Very low28.3Very low99 Ų99133.6 Ų133.664%0.64379%0.794SS**  trans-12490.6155.529.5-12.6000109.4F250P248-F250 HydrophobicContact CB-CD2 3.89Å; P248-F250 HydrophobicContact CB-CE2 3.94Å; P248-F250 PolarHBondContact O-N 3.36Å
249S26.4Very low28.4Very low110 Ų110127.3 Ų127.377%0.76979%0.785SS**  trans-58.4114.6151.746.10000108.6
250F27.2Very low28.5Very low191 Ų191127.9 Ų127.984%0.83879%0.788SS**  trans-128.8115.5165.1-85.3-72.5000110.1P248P248-F250 HydrophobicContact CB-CD2 3.89Å; P248-F250 HydrophobicContact CB-CE2 3.94Å; P248-F250 PolarHBondContact O-N 3.36Å
251S26.5Very low28.5Very low116 Ų116127.5 Ų127.581%0.81178%0.783SS**  trans-63.8145.9179-44.60000111.2S253S251-S253 VanDerWaalsContact C-N 3.28Å; S251-S253 PolarHBondContact O-N 3.16Å
252T28.5Very low28.8Very low143 Ų143133.4 Ų133.488%0.87779%0.792SS**  trans-67.385.7166.843.80000110.2
253S29.5Very low29.1Very low107 Ų107132.9 Ų132.975%0.74879%0.789SS**  trans-81.6132.2165.2-177.40000109.8S251S251-S253 VanDerWaalsContact C-N 3.28Å; S251-S253 PolarHBondContact O-N 3.16Å
254T28.5Very low29.5Very low136 Ų136133.3 Ų133.383%0.83479%0.794SS**  trans-62.7141.4171.650.40000112.4
255G26.4Very low30Very low74 Ų74134.2 Ų134.276%0.76379%0.787SS**  trans119.9131.6148.200000118.4
256H32Very low30.6Very low191 Ų191139.1 Ų139.188%0.88480%0.797SS**  trans76.4137.5158.5-102.4-74.4000122.2
257E29Very low31.1Very low172 Ų172140.3 Ų140.380%0.80480%0.798SS**  trans-73.4155.8178.4-48.2175.2131.600112.5
258D33.2Very low31.3Very low173 Ų173141.1 Ų141.193%0.92579%0.788SS**  trans-150.8126.2140.6-124.8-22.5000110.5
259G29Very low32Very low63 Ų63144.4 Ų144.465%0.64980%0.8SS**  trans-99.6129.9-165.200000114.4
260V30.8Very low32.9Very low145 Ų145144.7 Ų144.788%0.87980%0.802SS**  trans-98.982.7162.7-175.90000109.2R262V260-R262 PolarHBondContact O-N 3.02Å
261V28.8Very low33.4Very low119 Ų119142.6 Ų142.672%0.72180%0.799SS**  trans-68.7109.7175.9178.80000109.8T263V261-T263 HydrophobicContact CG1-CG2 4.02Å
262R32.4Very low33.8Very low239 Ų239145 Ų14590%0.90280%0.797SS**  trans-91.8101.8154.7-82.8-168.8174.5-1740.4108.4V260V260-R262 PolarHBondContact O-N 3.02Å
263T33.6Very low34.3Very low117 Ų117144.4 Ų144.472%0.71879%0.788SS**  trans-59.9127.9179.121.50000111.7V261V261-T263 HydrophobicContact CG1-CG2 4.02Å
264P34.4Very low34.6Very low112 Ų112148.4 Ų148.473%0.72780%0.795SS**  trans-68.6130.5168.5-13.427.7000110K266P264-K266 PolarHBondContact O-N 3.38Å
265L38.6Very low35.3Very low152 Ų152149.3 Ų149.380%0.79679%0.793SS**  trans-69.687.3177.3-83.3162000111.2E267L265-E267 VanDerWaalsContact C-N 3.26Å; L265-E267 PolarHBondContact O-N 2.87Å
266K38.6Very low36.2Very low199 Ų199150 Ų15087%0.86578%0.784SS**  trans-81.46.3177.8-109.5179.4178.7178.30114.8P264P264-K266 PolarHBondContact O-N 3.38Å
267E38.9Very low37.3Very low174 Ų174144 Ų14481%0.81376%0.764SS**  trans-122.479.2-171.8-66.3-175.9173.600112.5L265L265-E267 VanDerWaalsContact C-N 3.26Å; L265-E267 PolarHBondContact O-N 2.87Å
268F36.2Very low38.6Very low131 Ų131144.3 Ų144.358%0.57577%0.765SS**  trans-133.6-1.4166.4-102.2-79.8000115.2S270F268-S270 PolarHBondContact O-N 2.59Å
269N43.9Very low40.1Very low169 Ų169141.7 Ų141.790%0.90475%0.747SS**THydrogen-bonded Turntrans-74.17.8-178.3-71.2-10.1000115.1
270S44.1Very low41.5Very low116 Ų116141.5 Ų141.581%0.81174%0.736SS**THydrogen-bonded Turntrans-121.76-173-62.80000115.6F268F268-S270 PolarHBondContact O-N 2.59Å
271L37.9Very low42.9Very low146 Ų146141.9 Ų141.976%0.76472%0.723SS**  trans-115.755.6-178.8-84.3162.3000112.8
272H36.3Very low45Very low168 Ų168138.5 Ų138.578%0.77871%0.708SS**  trans-99.6124164.1-153.660.8000107.8
273N38.4Very low46.9Very low130 Ų130132.3 Ų132.370%0.69569%0.687SS**SBendtrans82.570.9-178.1-44.6-47.7000118.2
274Q36.2Very low48.6Very low191 Ų191132 Ų13289%0.89368%0.681SS**  trans-167.6162.8140.7-109.3151.576.300113.9
275I43.2Very low50.6Low155 Ų155130.2 Ų130.280%0.79567%0.668SS**PPolyproline II helixtrans-60.4140.9-175.3-62.9164.6000110.6S277I275-S277 PolarHBondContact O-N 2.88Å
276P44.6Very low52.4Low87 Ų87127.6 Ų127.657%0.56565%0.654SS**PPolyproline II helixtrans-60.5121.6-174.923.6-35.1000112.5
277S55.2Low54Low67 Ų67127.5 Ų127.547%0.46965%0.649SS.*PPolyproline II helixtrans-81.3164.1175.965.40000112.2I275 E279 S280 Y281I275-S277 PolarHBondContact O-N 2.88Å; S277-E279 PolarHBondContact O-N 3.4Å; S277-S280 WeakPolarHBondContact O-CA 3.43Å; S277-S280 WeakPolarHBondContact O-CB 3.4Å; S277-S280 PolarHBondContact O-N 2.85Å; S277-Y281 PolarHBondContact O-N 3.35Å
278E57.1Low55.9Low178 Ų178123.9 Ų123.983%0.83264%0.635SS**Hα-helixtrans-56.3-30.8175.3-162.5166.8-15300112.5S280 Y281 A282E278-S280 VanDerWaalsContact C-N 3.34Å; E278-S280 PolarHBondContact O-N 3.26Å; E278-Y281 WeakPolarHBondContact O-CB 3.33Å; E278-Y281 PolarHBondContact O-N 3.41Å; E278-A282 PolarHBondContact O-N 3.35Å
279E64.3Low58Low117 Ų117121 Ų12155%0.54763%0.625SS.*Hα-helixtrans-67.9-29.7174.5-156.3-167.9150.700113.2S277 K283S277-E279 PolarHBondContact O-N 3.4Å; E279-K283 WeakPolarHBondContact O-CG 3.38Å; E279-K283 PolarHBondContact O-N 3.34Å; E279-K283 VanDerWaalsContact OE1-CE 3.23Å; E279-K283 WeakPolarHBondContact OE1-CE 3.25Å; E279-K283 IonicContact OE1-NZ 2.64Å; E279-K283 PolarHBondContact OE1-NZ 2.93Å
280S58.2Low59.7Low59 Ų59116.5 Ų116.541%0.41361%0.606SS.*Hα-helixtrans-66.4-39171.1-178.80000111.2S277 E278 L284S277-S280 WeakPolarHBondContact O-CA 3.43Å; S277-S280 WeakPolarHBondContact O-CB 3.4Å; S277-S280 PolarHBondContact O-N 2.85Å; E278-S280 VanDerWaalsContact C-N 3.34Å; E278-S280 PolarHBondContact O-N 3.26Å; S280-L284 WeakPolarHBondContact O-CB 3.25Å; S280-L284 PolarHBondContact O-N 2.86Å
281Y60.6Low61.3Low154 Ų154113.1 Ų113.160%0.60459%0.586SS**Hα-helixtrans-67.6-42.7175.8-84.8-85.2000111.3S277 E278 K283 L284 T285S277-Y281 PolarHBondContact O-N 3.35Å; E278-Y281 WeakPolarHBondContact O-CB 3.33Å; E278-Y281 PolarHBondContact O-N 3.41Å; Y281-K283 PolarHBondContact O-N 2.9Å; Y281-L284 PolarHBondContact O-N 2.86Å; Y281-T285 PolarHBondContact O-N 2.71Å; Y281-T285 PolarHBondContact O-OG1 3.25Å; Y281-T285 VanDerWaalsContact O-OG1 3.05Å
282A72.2Confident63.4Low48 Ų48113.7 Ų113.740%0.39758%0.578SS.*Hα-helixtrans-57.3-50.5174.500000112.2E278 L284 T285 D286E278-A282 PolarHBondContact O-N 3.35Å; A282-L284 VanDerWaalsContact C-N 3.28Å; A282-L284 PolarHBondContact O-N 2.84Å; A282-T285 WeakPolarHBondContact O-CB 3.39Å; A282-T285 PolarHBondContact O-N 2.89Å; A282-T285 VanDerWaalsContact O-N 3.1Å; A282-D286 PolarHBondContact O-N 3.45Å
283K71.3Confident65.5Low108 Ų108111.8 Ų111.847%0.4757%0.569SS.*Hα-helixtrans-63-32.2177.5-71172.4-173.71680113E279 Y281 R287E279-K283 WeakPolarHBondContact O-CG 3.38Å; E279-K283 PolarHBondContact O-N 3.34Å; E279-K283 VanDerWaalsContact OE1-CE 3.23Å; E279-K283 WeakPolarHBondContact OE1-CE 3.25Å; E279-K283 IonicContact OE1-NZ 2.64Å; E279-K283 PolarHBondContact OE1-NZ 2.93Å; Y281-K283 PolarHBondContact O-N 2.9Å; K283-R287 PolarHBondContact O-N 3.22Å; K283-R287 VanDerWaalsContact O-N 3.11Å
284L69.8Low67.5Low111 Ų111110.4 Ų110.458%0.58156%0.561SS**Hα-helixtrans-69.7-41.4173.1-155.885.8000111.5S280 Y281 A282 R287 L288S280-L284 WeakPolarHBondContact O-CB 3.25Å; S280-L284 PolarHBondContact O-N 2.86Å; Y281-L284 PolarHBondContact O-N 2.86Å; A282-L284 VanDerWaalsContact C-N 3.28Å; A282-L284 PolarHBondContact O-N 2.84Å; L284-R287 PolarHBondContact O-N 3.3Å; L284-L288 WeakPolarHBondContact O-CB 3.31Å; L284-L288 PolarHBondContact O-N 2.77Å
285T76.1Confident69.7Low74 Ų74107 Ų10745%0.45455%0.548SS..Hα-helixtrans-63.7-41.6175.8-62.10000111.7Y281 A282 L288 N289Y281-T285 PolarHBondContact O-N 2.71Å; Y281-T285 PolarHBondContact O-OG1 3.25Å; Y281-T285 VanDerWaalsContact O-OG1 3.05Å; A282-T285 WeakPolarHBondContact O-CB 3.39Å; A282-T285 PolarHBondContact O-N 2.89Å; A282-T285 VanDerWaalsContact O-N 3.1Å; T285-L288 WeakPolarHBondContact O-CB 3.49Å; T285-L288 PolarHBondContact O-N 3.49Å; T285-N289 WeakPolarHBondContact O-CB 3.04Å; T285-N289 VanDerWaalsContact O-CG 3.27Å; T285-N289 PolarHBondContact O-N 3.39Å; T285-N289 PolarHBondContact O-ND2 3.43Å
286D76.9Confident71.5Confident97 Ų97104.7 Ų104.752%0.51954%0.536SS..Hα-helixtrans-67.3-37.1176.1-71.7-23.3000112.4A282 S290A282-D286 PolarHBondContact O-N 3.45Å; D286-S290 VanDerWaalsContact O-CB 3.3Å; D286-S290 WeakPolarHBondContact O-CB 3.33Å; D286-S290 PolarHBondContact O-N 2.77Å; D286-S290 PolarHBondContact O-OG 3.37Å
287R73.3Confident73.2Confident197 Ų197106.4 Ų106.474%0.74354%0.537SS*.Hα-helixtrans-63-42.2168.5-85.9-179.874170.23.3111.9K283 L284 S290 A291K283-R287 PolarHBondContact O-N 3.22Å; K283-R287 VanDerWaalsContact O-N 3.11Å; L284-R287 PolarHBondContact O-N 3.3Å; R287-S290 PolarHBondContact O-N 2.68Å; R287-A291 WeakPolarHBondContact O-CB 3.5Å; R287-A291 PolarHBondContact O-N 3.03Å
288L78Confident74.5Confident99 Ų99108.8 Ų108.852%0.51854%0.544SS..Hα-helixtrans-65.4-40.5178.9-15586.1000111.6L284 T285 R292L284-L288 WeakPolarHBondContact O-CB 3.31Å; L284-L288 PolarHBondContact O-N 2.77Å; T285-L288 WeakPolarHBondContact O-CB 3.49Å; T285-L288 PolarHBondContact O-N 3.49Å; L288-R292 WeakPolarHBondContact O-CB 3.49Å; L288-R292 VanDerWaalsContact O-CG 3.28Å; L288-R292 WeakPolarHBondContact O-CG 3.46Å; L288-R292 PolarHBondContact O-N 2.81Å
289N79.7Confident75.8Confident71 Ų71101.5 Ų101.538%0.3852%0.517SS..Hα-helixtrans-68.7-40.4176-72.2-24.4000111.8T285 R292 H293T285-N289 WeakPolarHBondContact O-CB 3.04Å; T285-N289 VanDerWaalsContact O-CG 3.27Å; T285-N289 PolarHBondContact O-N 3.39Å; T285-N289 PolarHBondContact O-ND2 3.43Å; N289-R292 PolarHBondContact O-N 3.2Å; N289-H293 PolarHBondContact O-N 2.82Å
290S80.7Confident76.6Confident73 Ų73100.2 Ų100.251%0.5151%0.514SS..Hα-helixtrans-64.3-43.4174.4-590000111.7D286 R287 H293 L294D286-S290 VanDerWaalsContact O-CB 3.3Å; D286-S290 WeakPolarHBondContact O-CB 3.33Å; D286-S290 PolarHBondContact O-N 2.77Å; D286-S290 PolarHBondContact O-OG 3.37Å; R287-S290 PolarHBondContact O-N 2.68Å; S290-H293 PolarHBondContact O-N 2.98Å; S290-L294 PolarHBondContact O-N 2.95Å
291A77.7Confident77.7Confident46 Ų46101.9 Ų101.938%0.3852%0.515SS..Hα-helixtrans-63.6-40.4174.700000112.1R287 H293 L294 I295R287-A291 WeakPolarHBondContact O-CB 3.5Å; R287-A291 PolarHBondContact O-N 3.03Å; A291-H293 VanDerWaalsContact C-N 3.35Å; A291-L294 PolarHBondContact O-N 3.26Å; A291-I295 WeakPolarHBondContact O-CD1 3.46Å; A291-I295 VanDerWaalsContact O-CG1 3.3Å; A291-I295 WeakPolarHBondContact O-CG1 3.48Å; A291-I295 PolarHBondContact O-N 3.32Å
292R81.7Confident79Confident158 Ų158100.9 Ų100.960%0.59651%0.514SS*.Hα-helixtrans-61.3-40.8172.2-79.4172.6166.9-167-5.5112.3L288 N289 I295 L296L288-R292 WeakPolarHBondContact O-CB 3.49Å; L288-R292 VanDerWaalsContact O-CG 3.28Å; L288-R292 WeakPolarHBondContact O-CG 3.46Å; L288-R292 PolarHBondContact O-N 2.81Å; N289-R292 PolarHBondContact O-N 3.2Å; R292-I295 PolarHBondContact O-N 2.8Å; R292-L296 WeakPolarHBondContact O-CG 3.24Å; R292-L296 PolarHBondContact O-N 3.46Å
293H80Confident79.5Confident127 Ų127102.8 Ų102.859%0.58852%0.517SS*.Hα-helixtrans-63.6-44.5174.8-111.8-71.9000112.1N289 S290 A291 I295 L296 E297N289-H293 PolarHBondContact O-N 2.82Å; S290-H293 PolarHBondContact O-N 2.98Å; A291-H293 VanDerWaalsContact C-N 3.35Å; H293-I295 PolarHBondContact O-N 2.94Å; H293-L296 WeakPolarHBondContact O-CB 3.41Å; H293-L296 PolarHBondContact O-N 2.82Å; H293-E297 PolarHBondContact O-N 2.95Å
294L81.4Confident80.1Confident102 Ų102105.4 Ų105.453%0.53452%0.524SS..Hα-helixtrans-62-41.3176-109.8160000112.5S290 A291 L296 E297 L298S290-L294 PolarHBondContact O-N 2.95Å; A291-L294 PolarHBondContact O-N 3.26Å; L294-L296 VanDerWaalsContact C-N 3.33Å; L294-L296 PolarHBondContact O-N 3.17Å; L294-E297 PolarHBondContact O-N 3.4Å; L294-L298 WeakPolarHBondContact O-CB 3.4Å; L294-L298 VanDerWaalsContact O-CG 3.32Å; L294-L298 WeakPolarHBondContact O-CG 3.34Å; L294-L298 PolarHBondContact O-N 2.94Å
295I82.1Confident80.7Confident118 Ų118103 Ų10361%0.60551%0.514SS*.Hα-helixtrans-63.7-38.9174.4-70.5161.5000111.1A291 R292 H293 G299A291-I295 WeakPolarHBondContact O-CD1 3.46Å; A291-I295 VanDerWaalsContact O-CG1 3.3Å; A291-I295 WeakPolarHBondContact O-CG1 3.48Å; A291-I295 PolarHBondContact O-N 3.32Å; R292-I295 PolarHBondContact O-N 2.8Å; H293-I295 PolarHBondContact O-N 2.94Å; I295-G299 PolarHBondContact O-N 3.06Å
296L81.3Confident81.2Confident107 Ų107103.2 Ų103.256%0.5651%0.512SS*.Hα-helixtrans-68.4-38.5174.8-75.7167.3000112.6R292 H293 L294 G299 N300R292-L296 WeakPolarHBondContact O-CG 3.24Å; R292-L296 PolarHBondContact O-N 3.46Å; H293-L296 WeakPolarHBondContact O-CB 3.41Å; H293-L296 PolarHBondContact O-N 2.82Å; L294-L296 VanDerWaalsContact C-N 3.33Å; L294-L296 PolarHBondContact O-N 3.17Å; L296-G299 PolarHBondContact O-N 3.39Å; L296-N300 WeakPolarHBondContact O-CB 3.27Å; L296-N300 VanDerWaalsContact O-CG 3.27Å; L296-N300 PolarHBondContact O-N 2.8Å; L296-N300 PolarHBondContact O-ND2 3.3Å
297E80.4Confident81.6Confident123 Ų123106.1 Ų106.158%0.57552%0.52SS*.Hα-helixtrans-66.3-45.9174.4-75-174.7159.700111.7H293 L294 G299 N300 E301H293-E297 PolarHBondContact O-N 2.95Å; L294-E297 PolarHBondContact O-N 3.4Å; E297-G299 VanDerWaalsContact C-N 3.33Å; E297-G299 PolarHBondContact O-N 2.93Å; E297-N300 PolarHBondContact O-N 2.96Å; E297-E301 WeakPolarHBondContact O-CB 3.23Å; E297-E301 PolarHBondContact O-N 2.83Å
298L81.4Confident82.2Confident117 Ų117102 Ų10261%0.61351%0.512SS*.Hα-helixtrans-61.5-39.2174.4-71.8169.3000112.2L294 E301 K302L294-L298 WeakPolarHBondContact O-CB 3.4Å; L294-L298 VanDerWaalsContact O-CG 3.32Å; L294-L298 WeakPolarHBondContact O-CG 3.34Å; L294-L298 PolarHBondContact O-N 2.94Å; L298-E301 PolarHBondContact O-N 3.15Å; L298-K302 WeakPolarHBondContact O-CB 3.42Å; L298-K302 PolarHBondContact O-N 2.83Å
299G84.3Confident82.5Confident26 Ų26101.1 Ų101.127%0.26851%0.507SS..Hα-helixtrans-65-41.6173.900000113I295 L296 E297 L303I295-G299 PolarHBondContact O-N 3.06Å; L296-G299 PolarHBondContact O-N 3.39Å; E297-G299 VanDerWaalsContact C-N 3.33Å; E297-G299 PolarHBondContact O-N 2.93Å; G299-L303 WeakPolarHBondContact O-CB 3.5Å; G299-L303 WeakPolarHBondContact O-CG 3.24Å; G299-L303 PolarHBondContact O-N 2.9Å
300N82.6Confident82.8Confident89 Ų89100.5 Ų100.548%0.47651%0.512SS..Hα-helixtrans-68.4-37.5175.9-78.3-42000112.6L296 E297 L303 R304L296-N300 WeakPolarHBondContact O-CB 3.27Å; L296-N300 VanDerWaalsContact O-CG 3.27Å; L296-N300 PolarHBondContact O-N 2.8Å; L296-N300 PolarHBondContact O-ND2 3.3Å; E297-N300 PolarHBondContact O-N 2.96Å; N300-L303 WeakPolarHBondContact O-CB 3.48Å; N300-L303 PolarHBondContact O-N 3.1Å; N300-R304 PolarHBondContact O-N 3.02Å
301E81.5Confident82.9Confident94 Ų94100.4 Ų100.444%0.43951%0.511SS..Hα-helixtrans-71-39.5176.8-160.358-146.600110.9E297 L298 L303 R304 T305E297-E301 WeakPolarHBondContact O-CB 3.23Å; E297-E301 PolarHBondContact O-N 2.83Å; L298-E301 PolarHBondContact O-N 3.15Å; E301-L303 VanDerWaalsContact C-N 3.31Å; E301-L303 PolarHBondContact O-N 2.66Å; E301-R304 WeakPolarHBondContact O-CA 3.29Å; E301-R304 WeakPolarHBondContact O-CB 3.19Å; E301-R304 PolarHBondContact O-N 3.35Å; E301-R304 WeakPolarHBondContact OE2-CD 3.36Å; E301-R304 IonicContact OE2-CZ 2.78Å; E301-R304 IonicContact OE2-NE 3.21Å; E301-R304 IonicContact OE2-NH1 2.66Å; E301-R304 PolarHBondContact OE2-NH1 2.85Å; E301-T305 PolarHBondContact O-N 2.95Å; E301-T305 PolarHBondContact O-OG1 3Å
302K86Confident83.1Confident134 Ų134102.9 Ų102.958%0.58352%0.516SS*.Hα-helixtrans-56.9-44169.1-174.2178177.7-177.60111.8L298 R304 T305 D306L298-K302 WeakPolarHBondContact O-CB 3.42Å; L298-K302 PolarHBondContact O-N 2.83Å; K302-R304 VanDerWaalsContact C-N 3.29Å; K302-R304 PolarHBondContact O-N 2.74Å; K302-T305 WeakPolarHBondContact CA-OG1 3.41Å; K302-T305 PolarHBondContact O-N 3.19Å; K302-T305 PolarHBondContact O-OG1 3.41Å; K302-D306 WeakPolarHBondContact O-CB 3.45Å; K302-D306 VanDerWaalsContact O-CG 3.24Å; K302-D306 PolarHBondContact O-N 2.96Å
303L83.9Confident83.3Confident88 Ų88102.2 Ų102.246%0.46152%0.517SS..Hα-helixtrans-63.5-29.6174.1-82.3161.8000113.5G299 N300 E301 K307G299-L303 WeakPolarHBondContact O-CB 3.5Å; G299-L303 WeakPolarHBondContact O-CG 3.24Å; G299-L303 PolarHBondContact O-N 2.9Å; N300-L303 WeakPolarHBondContact O-CB 3.48Å; N300-L303 PolarHBondContact O-N 3.1Å; E301-L303 VanDerWaalsContact C-N 3.31Å; E301-L303 PolarHBondContact O-N 2.66Å; L303-K307 WeakPolarHBondContact O-CB 3.32Å; L303-K307 WeakPolarHBondContact O-CG 3.38Å; L303-K307 PolarHBondContact O-N 3.37Å
304R83.7Confident83.4Confident163 Ų16398.5 Ų98.562%0.61551%0.506SS*.Hα-helixtrans-73.1-45.4171.5-74.2177.4-178.6147.5-2.3111.6N300 E301 K302 D306 K307 L308N300-R304 PolarHBondContact O-N 3.02Å; E301-R304 WeakPolarHBondContact O-CA 3.29Å; E301-R304 WeakPolarHBondContact O-CB 3.19Å; E301-R304 PolarHBondContact O-N 3.35Å; E301-R304 WeakPolarHBondContact OE2-CD 3.36Å; E301-R304 IonicContact OE2-CZ 2.78Å; E301-R304 IonicContact OE2-NE 3.21Å; E301-R304 IonicContact OE2-NH1 2.66Å; E301-R304 PolarHBondContact OE2-NH1 2.85Å; K302-R304 VanDerWaalsContact C-N 3.29Å; K302-R304 PolarHBondContact O-N 2.74Å; R304-D306 VanDerWaalsContact C-N 3.35Å; R304-D306 PolarHBondContact O-N 3.18Å; R304-K307 PolarHBondContact O-N 3.45Å; R304-L308 PolarHBondContact O-N 3.32Å
305T82.6Confident83.5Confident60 Ų6096.5 Ų96.537%0.36850%0.498SS..Hα-helixtrans-63.5-41.4177.1550000111.3E301 K302 K307 L308 I309E301-T305 PolarHBondContact O-N 2.95Å; E301-T305 PolarHBondContact O-OG1 3Å; K302-T305 WeakPolarHBondContact CA-OG1 3.41Å; K302-T305 PolarHBondContact O-N 3.19Å; K302-T305 PolarHBondContact O-OG1 3.41Å; T305-K307 VanDerWaalsContact C-N 3.34Å; T305-K307 PolarHBondContact O-N 2.74Å; T305-L308 PolarHBondContact O-N 2.98Å; T305-I309 WeakPolarHBondContact O-CB 3.42Å; T305-I309 WeakPolarHBondContact O-CD1 3.46Å; T305-I309 VanDerWaalsContact O-CG1 3.23Å; T305-I309 WeakPolarHBondContact O-CG1 3.28Å; T305-I309 PolarHBondContact O-N 2.87Å
306D86.7Confident83.6Confident79 Ų7995.7 Ų95.742%0.42249%0.491SS..Hα-helixtrans-64.8-37.6177.2-71-20.4000111.5K302 R304 A310K302-D306 WeakPolarHBondContact O-CB 3.45Å; K302-D306 VanDerWaalsContact O-CG 3.24Å; K302-D306 PolarHBondContact O-N 2.96Å; R304-D306 VanDerWaalsContact C-N 3.35Å; R304-D306 PolarHBondContact O-N 3.18Å; D306-A310 VanDerWaalsContact O-CB 3.28Å; D306-A310 WeakPolarHBondContact O-CB 3.42Å; D306-A310 PolarHBondContact O-N 3.01Å
307K85.3Confident83.8Confident158 Ų15897 Ų9769%0.68749%0.494SS*.Hα-helixtrans-66.2-40.2171.3-82.9-179.2177.5178.30113.1L303 R304 T305 A310 S311L303-K307 WeakPolarHBondContact O-CB 3.32Å; L303-K307 WeakPolarHBondContact O-CG 3.38Å; L303-K307 PolarHBondContact O-N 3.37Å; R304-K307 PolarHBondContact O-N 3.45Å; T305-K307 VanDerWaalsContact C-N 3.34Å; T305-K307 PolarHBondContact O-N 2.74Å; K307-A310 PolarHBondContact O-N 3.26Å; K307-S311 WeakPolarHBondContact O-CB 3.27Å; K307-S311 PolarHBondContact O-N 3.45Å
308L84.6Confident84.1Confident110 Ų11097.7 Ų97.758%0.57650%0.496SS*.Hα-helixtrans-64.5-46.3176.5-173.568.5000110.6R304 T305 A310 S311 M312R304-L308 PolarHBondContact O-N 3.32Å; T305-L308 PolarHBondContact O-N 2.98Å; L308-A310 PolarHBondContact O-N 3.44Å; L308-S311 WeakPolarHBondContact O-CB 3.43Å; L308-S311 PolarHBondContact O-N 3.48Å; L308-M312 HydrophobicContact CG-SD 4.4Å; L308-M312 WeakPolarHBondContact O-CG 3.44Å; L308-M312 PolarHBondContact O-N 3.1Å
309I85.1Confident84.1Confident81 Ų8197.5 Ų97.542%0.41549%0.492SS..Hα-helixtrans-61.3-42.9176-68.4163.8000110.8T305 M312 K313T305-I309 WeakPolarHBondContact O-CB 3.42Å; T305-I309 WeakPolarHBondContact O-CD1 3.46Å; T305-I309 VanDerWaalsContact O-CG1 3.23Å; T305-I309 WeakPolarHBondContact O-CG1 3.28Å; T305-I309 PolarHBondContact O-N 2.87Å; I309-M312 PolarHBondContact O-N 3.38Å; I309-K313 HydrophobicContact CG2-CD 4.26Å; I309-K313 WeakPolarHBondContact O-CB 3.43Å; I309-K313 WeakPolarHBondContact O-CG 3.41Å; I309-K313 PolarHBondContact O-N 3.34Å
310A85.2Confident84.2Confident58 Ų58101.8 Ų101.848%0.47951%0.507SS..Hα-helixtrans-63.6-39.517500000112.3D306 K307 L308 S314D306-A310 VanDerWaalsContact O-CB 3.28Å; D306-A310 WeakPolarHBondContact O-CB 3.42Å; D306-A310 PolarHBondContact O-N 3.01Å; K307-A310 PolarHBondContact O-N 3.26Å; L308-A310 PolarHBondContact O-N 3.44Å; A310-S314 WeakPolarHBondContact O-CB 3.1Å; A310-S314 PolarHBondContact O-N 3.36Å
311S83.2Confident84.3Confident70 Ų70100.7 Ų100.749%0.4951%0.506SS..Hα-helixtrans-64-45.8174.3-167.90000111.8K307 L308 S314 T315K307-S311 WeakPolarHBondContact O-CB 3.27Å; K307-S311 PolarHBondContact O-N 3.45Å; L308-S311 WeakPolarHBondContact O-CB 3.43Å; L308-S311 PolarHBondContact O-N 3.48Å; S311-S314 PolarHBondContact O-N 2.75Å; S311-T315 PolarHBondContact O-N 3.47Å; S311-T315 PolarHBondContact O-OG1 3.39Å
312M81.5Confident84.4Confident98 Ų9898.5 Ų98.548%0.48350%0.504SS..Hα-helixtrans-64.7-39.5177.6-72178.968.500112.5L308 I309 S314 T315 H316L308-M312 HydrophobicContact CG-SD 4.4Å; L308-M312 WeakPolarHBondContact O-CG 3.44Å; L308-M312 PolarHBondContact O-N 3.1Å; I309-M312 PolarHBondContact O-N 3.38Å; M312-S314 VanDerWaalsContact C-N 3.34Å; M312-T315 WeakPolarHBondContact CA-OG1 3.27Å; M312-T315 PolarHBondContact O-N 3.04Å; M312-T315 PolarHBondContact O-OG1 2.83Å; M312-H316 PolarHBondContact O-N 3.22Å
313K85.6Confident84.2Confident145 Ų14597 Ų9763%0.6350%0.502SS*.Hα-helixtrans-61.2-43.5172.2-76.1-179.7177.2-175.90111.3I309 T315 H316 E317I309-K313 HydrophobicContact CG2-CD 4.26Å; I309-K313 WeakPolarHBondContact O-CB 3.43Å; I309-K313 WeakPolarHBondContact O-CG 3.41Å; I309-K313 PolarHBondContact O-N 3.34Å; K313-T315 PolarHBondContact O-N 3.16Å; K313-H316 PolarHBondContact O-N 2.73Å; K313-E317 VanDerWaalsContact O-CB 3.31Å; K313-E317 WeakPolarHBondContact O-CB 3.3Å; K313-E317 PolarHBondContact O-N 3.41Å
314S82.9Confident84.4Confident49 Ų4998.9 Ų98.934%0.34351%0.507SS..Hα-helixtrans-67-30.6177.5-171.60000113.7A310 S311 M312 K318A310-S314 WeakPolarHBondContact O-CB 3.1Å; A310-S314 PolarHBondContact O-N 3.36Å; S311-S314 PolarHBondContact O-N 2.75Å; M312-S314 VanDerWaalsContact C-N 3.34Å; S314-K318 WeakPolarHBondContact O-CD 3.22Å; S314-K318 VanDerWaalsContact O-CG 3.32Å; S314-K318 WeakPolarHBondContact O-CG 3.49Å; S314-K318 PolarHBondContact O-N 3.32Å
315T83.6Confident84.5Confident59 Ų5996.4 Ų96.436%0.36251%0.506SS..Hα-helixtrans-73-46.8172.6480000111.5S311 M312 K313 E317 K318 E319S311-T315 PolarHBondContact O-N 3.47Å; S311-T315 PolarHBondContact O-OG1 3.39Å; M312-T315 WeakPolarHBondContact CA-OG1 3.27Å; M312-T315 PolarHBondContact O-N 3.04Å; M312-T315 PolarHBondContact O-OG1 2.83Å; K313-T315 PolarHBondContact O-N 3.16Å; T315-E317 VanDerWaalsContact C-N 3.32Å; T315-E317 PolarHBondContact O-N 3.43Å; T315-K318 WeakPolarHBondContact O-CB 3.32Å; T315-K318 PolarHBondContact O-N 3.01Å; T315-E319 WeakPolarHBondContact O-CG 3.42Å; T315-E319 PolarHBondContact O-N 3.15Å
316H84.4Confident84.6Confident101 Ų10199.7 Ų99.747%0.46852%0.515SS..Hα-helixtrans-60.9-39.1176.1-69.8-179.9000112.4M312 K313 K318 E319 I320M312-H316 PolarHBondContact O-N 3.22Å; K313-H316 PolarHBondContact O-N 2.73Å; H316-K318 VanDerWaalsContact C-N 3.31Å; H316-K318 PolarHBondContact O-N 2.89Å; H316-E319 IonicContact CD2-OE2 3.28Å; H316-E319 PolarHBondContact O-N 3.35Å; H316-I320 WeakPolarHBondContact O-CB 3.37Å; H316-I320 VanDerWaalsContact O-CG1 3.24Å; H316-I320 WeakPolarHBondContact O-CG1 3.35Å; H316-I320 PolarHBondContact O-N 3.26Å
317E85.7Confident84.4Confident134 Ų13499.1 Ų99.163%0.62652%0.516SS*.Hα-helixtrans-65.4-33.6178-169.7171.9-149.500112.4K313 T315 S321K313-E317 VanDerWaalsContact O-CB 3.31Å; K313-E317 WeakPolarHBondContact O-CB 3.3Å; K313-E317 PolarHBondContact O-N 3.41Å; T315-E317 VanDerWaalsContact C-N 3.32Å; T315-E317 PolarHBondContact O-N 3.43Å; E317-S321 WeakPolarHBondContact O-CB 3.47Å; E317-S321 PolarHBondContact O-N 3.45Å; E317-S321 PolarHBondContact O-OG 3.15Å
318K86Confident84.4Confident139 Ų13996.4 Ų96.460%0.60451%0.506SS*.Hα-helixtrans-71.3-39.3171.5-72.7168-175162.70112.5S314 T315 H316 S321 A322S314-K318 WeakPolarHBondContact O-CD 3.22Å; S314-K318 VanDerWaalsContact O-CG 3.32Å; S314-K318 WeakPolarHBondContact O-CG 3.49Å; S314-K318 PolarHBondContact O-N 3.32Å; T315-K318 WeakPolarHBondContact O-CB 3.32Å; T315-K318 PolarHBondContact O-N 3.01Å; H316-K318 VanDerWaalsContact C-N 3.31Å; H316-K318 PolarHBondContact O-N 2.89Å; K318-S321 PolarHBondContact O-N 2.83Å; K318-A322 WeakPolarHBondContact O-CB 3.26Å; K318-A322 PolarHBondContact O-N 3.35Å
319E82.6Confident84.4Confident113 Ų11396.6 Ų96.653%0.52851%0.507SS..Hα-helixtrans-66.9-43176.7-73.2167.2178.500111.4T315 H316 S321 A322 L323T315-E319 WeakPolarHBondContact O-CG 3.42Å; T315-E319 PolarHBondContact O-N 3.15Å; H316-E319 IonicContact CD2-OE2 3.28Å; H316-E319 PolarHBondContact O-N 3.35Å; E319-S321 VanDerWaalsContact C-N 3.34Å; E319-S321 PolarHBondContact O-N 3.01Å; E319-A322 PolarHBondContact O-N 2.9Å; E319-L323 WeakPolarHBondContact O-CB 3.24Å; E319-L323 WeakPolarHBondContact O-CG 3.16Å; E319-L323 PolarHBondContact O-N 3.33Å
320I85.1Confident84.3Confident116 Ų11697.6 Ų97.660%0.59551%0.512SS*.Hα-helixtrans-60.3-43.4172.6-69.6165.9000110.6H316 L323 K324H316-I320 WeakPolarHBondContact O-CB 3.37Å; H316-I320 VanDerWaalsContact O-CG1 3.24Å; H316-I320 WeakPolarHBondContact O-CG1 3.35Å; H316-I320 PolarHBondContact O-N 3.26Å; I320-L323 PolarHBondContact O-N 3.11Å; I320-K324 WeakPolarHBondContact O-CB 3.28Å; I320-K324 PolarHBondContact O-N 3.35Å
321S84.9Confident84.2Confident65 Ų65100.8 Ų100.846%0.45552%0.517SS..Hα-helixtrans-62.8-43.4175.6-58.40000112E317 K318 E319 L323 K324 D325E317-S321 WeakPolarHBondContact O-CB 3.47Å; E317-S321 PolarHBondContact O-N 3.45Å; E317-S321 PolarHBondContact O-OG 3.15Å; K318-S321 PolarHBondContact O-N 2.83Å; E319-S321 VanDerWaalsContact C-N 3.34Å; E319-S321 PolarHBondContact O-N 3.01Å; S321-L323 VanDerWaalsContact C-N 3.34Å; S321-L323 PolarHBondContact O-N 3.25Å; S321-K324 PolarHBondContact O-N 2.97Å; S321-D325 PolarHBondContact O-N 3.41Å
322A83.3Confident84.2Confident49 Ų49100.5 Ų100.541%0.40552%0.519SS..Hα-helixtrans-69.9-28.1177.700000113.4K318 E319 K326K318-A322 WeakPolarHBondContact O-CB 3.26Å; K318-A322 PolarHBondContact O-N 3.35Å; E319-A322 PolarHBondContact O-N 2.9Å; A322-K326 VanDerWaalsContact O-CG 3.31Å; A322-K326 WeakPolarHBondContact O-CG 3.44Å; A322-K326 PolarHBondContact O-N 3.28Å
323L82.2Confident84.2Confident102 Ų102101.9 Ų101.953%0.53452%0.524SS..Hα-helixtrans-73.1-39170.5-75.3168.3000111.3E319 I320 S321 K326 C327E319-L323 WeakPolarHBondContact O-CB 3.24Å; E319-L323 WeakPolarHBondContact O-CG 3.16Å; E319-L323 PolarHBondContact O-N 3.33Å; I320-L323 PolarHBondContact O-N 3.11Å; S321-L323 VanDerWaalsContact C-N 3.34Å; S321-L323 PolarHBondContact O-N 3.25Å; L323-K326 WeakPolarHBondContact O-CB 3.38Å; L323-K326 PolarHBondContact O-N 2.87Å; L323-C327 PolarHBondContact O-N 2.83Å; L323-C327 PolarHBondContact O-SG 3.36Å
324K87.7Confident83.9Confident127 Ų12799.2 Ų99.255%0.55252%0.516SS*.Hα-helixtrans-62-48.1174.5-173.5176.5175.4-176.20111.8I320 S321 K326 C327 E328I320-K324 WeakPolarHBondContact O-CB 3.28Å; I320-K324 PolarHBondContact O-N 3.35Å; S321-K324 PolarHBondContact O-N 2.97Å; K324-K326 PolarHBondContact O-N 3.15Å; K324-C327 PolarHBondContact O-N 3.45Å; K324-E328 WeakPolarHBondContact CE-OE1 3.28Å; K324-E328 IonicContact NZ-OE1 3.7Å; K324-E328 PolarHBondContact O-N 3.47Å
325D85.4Confident83.8Confident112 Ų112103.3 Ų103.360%0.59953%0.532SS*.Hα-helixtrans-56.5-33.6174.1-78.86.3000112.2S321 L329S321-D325 PolarHBondContact O-N 3.41Å; D325-L329 WeakPolarHBondContact O-CB 3.39Å; D325-L329 PolarHBondContact O-N 3.3Å
326K85.6Confident83.8Confident128 Ų128106.9 Ų106.956%0.55754%0.542SS*.Hα-helixtrans-73.4-38.5174.7-75.6173.2179.4-177.20112.7A322 L323 K324 L329 I330A322-K326 VanDerWaalsContact O-CG 3.31Å; A322-K326 WeakPolarHBondContact O-CG 3.44Å; A322-K326 PolarHBondContact O-N 3.28Å; L323-K326 WeakPolarHBondContact O-CB 3.38Å; L323-K326 PolarHBondContact O-N 2.87Å; K324-K326 PolarHBondContact O-N 3.15Å; K326-L329 PolarHBondContact O-N 3.04Å; K326-I330 VanDerWaalsContact O-CG1 3.31Å; K326-I330 WeakPolarHBondContact O-CG1 3.45Å; K326-I330 PolarHBondContact O-N 3.38Å
327C81.9Confident83.4Confident67 Ų67107.2 Ų107.245%0.45354%0.544SS..Hα-helixtrans-64.8-46.7176.1-62.60000110.8L323 K324 L329 I330 E331L323-C327 PolarHBondContact O-N 2.83Å; L323-C327 PolarHBondContact O-SG 3.36Å; K324-C327 PolarHBondContact O-N 3.45Å; C327-L329 PolarHBondContact O-N 3.23Å; C327-I330 PolarHBondContact O-N 3.47Å; C327-I330 VanDerWaalsContact O-N 3.08Å; C327-E331 WeakPolarHBondContact O-CG 3.48Å; C327-E331 PolarHBondContact O-N 3.21Å
328E85.2Confident83.2Confident102 Ų102105.2 Ų105.248%0.47754%0.537SS..Hα-helixtrans-60.1-33.9175.8-69-178.4-166.600112.2K324 A332K324-E328 WeakPolarHBondContact CE-OE1 3.28Å; K324-E328 IonicContact NZ-OE1 3.7Å; K324-E328 PolarHBondContact O-N 3.47Å; E328-A332 WeakPolarHBondContact O-CB 3.33Å; E328-A332 PolarHBondContact O-N 2.81Å; E328-A332 VanDerWaalsContact O-N 3.09Å
329L85.5Confident83.1Confident113 Ų113104.9 Ų104.959%0.59254%0.538SS*.Hα-helixtrans-69.4-40.9173.7-17764.5000112.6D325 K326 C327 A332 Q333D325-L329 WeakPolarHBondContact O-CB 3.39Å; D325-L329 PolarHBondContact O-N 3.3Å; K326-L329 PolarHBondContact O-N 3.04Å; C327-L329 PolarHBondContact O-N 3.23Å; L329-A332 PolarHBondContact O-N 3.49Å; L329-Q333 WeakPolarHBondContact O-CB 3.33Å; L329-Q333 PolarHBondContact O-N 2.91Å
330I82.1Confident83Confident103 Ų103103.8 Ų103.853%0.52854%0.535SS..Hα-helixtrans-67.3-42.9177.5-70.4165000110.6K326 C327 A332 Q333 L334K326-I330 VanDerWaalsContact O-CG1 3.31Å; K326-I330 WeakPolarHBondContact O-CG1 3.45Å; K326-I330 PolarHBondContact O-N 3.38Å; C327-I330 PolarHBondContact O-N 3.47Å; C327-I330 VanDerWaalsContact O-N 3.08Å; I330-A332 PolarHBondContact O-N 3.25Å; I330-Q333 PolarHBondContact O-N 3.48Å; I330-Q333 VanDerWaalsContact O-N 3.16Å; I330-L334 HydrophobicContact CG2-CD1 4.16Å; I330-L334 PolarHBondContact O-N 3.01Å
331E84Confident82.7Confident125 Ų125101.8 Ų101.858%0.58453%0.526SS*.Hα-helixtrans-60.1-44.9174.4-73.3175.5-17500111.9C327 Q333 L334 M335C327-E331 WeakPolarHBondContact O-CG 3.48Å; C327-E331 PolarHBondContact O-N 3.21Å; E331-Q333 VanDerWaalsContact C-N 3.26Å; E331-Q333 PolarHBondContact O-N 3.19Å; E331-L334 PolarHBondContact O-N 2.88Å; E331-M335 WeakPolarHBondContact O-CG 3.36Å; E331-M335 PolarHBondContact O-N 3.28Å
332A84Confident82.7Confident63 Ų63105 Ų10552%0.52153%0.533SS..Hα-helixtrans-63.6-31.8175.700000112.9E328 L329 I330 K336E328-A332 WeakPolarHBondContact O-CB 3.33Å; E328-A332 PolarHBondContact O-N 2.81Å; E328-A332 VanDerWaalsContact O-N 3.09Å; L329-A332 PolarHBondContact O-N 3.49Å; I330-A332 PolarHBondContact O-N 3.25Å; A332-K336 PolarHBondContact O-N 2.9Å
333Q79.9Confident82.7Confident128 Ų128107.9 Ų107.960%0.59854%0.539SS*.Hα-helixtrans-75.4-42.2177.1-167.2160.6-26.200111.6L329 I330 E331 K336 E337L329-Q333 WeakPolarHBondContact O-CB 3.33Å; L329-Q333 PolarHBondContact O-N 2.91Å; I330-Q333 PolarHBondContact O-N 3.48Å; I330-Q333 VanDerWaalsContact O-N 3.16Å; E331-Q333 VanDerWaalsContact C-N 3.26Å; E331-Q333 PolarHBondContact O-N 3.19Å; Q333-K336 PolarHBondContact O-N 3.46Å; Q333-E337 PolarHBondContact O-N 3.38Å
334L79.1Confident82.5Confident88 Ų88105.3 Ų105.346%0.46152%0.524SS..Hα-helixtrans-59.3-43.3171.8-95.4160.3000112.6I330 E331 K336 E337 N338I330-L334 HydrophobicContact CG2-CD1 4.16Å; I330-L334 PolarHBondContact O-N 3.01Å; E331-L334 PolarHBondContact O-N 2.88Å; L334-K336 VanDerWaalsContact C-N 3.3Å; L334-K336 PolarHBondContact O-N 2.84Å; L334-E337 PolarHBondContact O-N 3.46Å; L334-N338 WeakPolarHBondContact O-CB 3.4Å; L334-N338 PolarHBondContact O-N 3.31Å
335M81Confident82.2Confident136 Ų136104 Ų10467%0.6752%0.522SS*.Hα-helixtrans-63.3-37176.9-72.1-69.1-82.900112.2E331 Q339E331-M335 WeakPolarHBondContact O-CG 3.36Å; E331-M335 PolarHBondContact O-N 3.28Å; M335-Q339 PolarHBondContact O-N 3.2Å; M335-Q339 VanDerWaalsContact O-N 3.13Å
336K83.7Confident82Confident133 Ų133101.5 Ų101.558%0.57851%0.514SS*.Hα-helixtrans-69.6-38.7175-170-175176.6-166.40112A332 Q333 L334 Q339 L340A332-K336 PolarHBondContact O-N 2.9Å; Q333-K336 PolarHBondContact O-N 3.46Å; L334-K336 VanDerWaalsContact C-N 3.3Å; L334-K336 PolarHBondContact O-N 2.84Å; K336-Q339 PolarHBondContact O-N 2.71Å; K336-L340 WeakPolarHBondContact O-CB 3.2Å; K336-L340 PolarHBondContact O-N 2.9Å; K336-L340 VanDerWaalsContact O-N 3.1Å
337E76.5Confident81.9Confident109 Ų109102.4 Ų102.451%0.50951%0.514SS..Hα-helixtrans-67-43.5176.9-169.1169.3173.900111.5Q333 L334 Q339 L340 N341Q333-E337 PolarHBondContact O-N 3.38Å; L334-E337 PolarHBondContact O-N 3.46Å; E337-Q339 VanDerWaalsContact C-N 3.34Å; E337-Q339 PolarHBondContact O-N 3.02Å; E337-L340 PolarHBondContact O-N 3.39Å; E337-N341 WeakPolarHBondContact O-CB 3.4Å; E337-N341 VanDerWaalsContact O-CG 3.27Å; E337-N341 PolarHBondContact O-N 2.73Å; E337-N341 PolarHBondContact O-ND2 2.9Å
338N82.7Confident81.9Confident91 Ų91103.7 Ų103.749%0.48751%0.511SS..Hα-helixtrans-60.3-40.3173.7-75.8-20.8000112.8L334 N341 H342L334-N338 WeakPolarHBondContact O-CB 3.4Å; L334-N338 PolarHBondContact O-N 3.31Å; N338-N341 PolarHBondContact O-N 2.81Å; N338-H342 PolarHBondContact O-N 3.47Å
339Q82.5Confident81.9Confident133 Ų133102.8 Ų102.862%0.62151%0.51SS*.Hα-helixtrans-65.3-40.2175.8-170.4165.814.600112M335 K336 E337 H342 E343M335-Q339 PolarHBondContact O-N 3.2Å; M335-Q339 VanDerWaalsContact O-N 3.13Å; K336-Q339 PolarHBondContact O-N 2.71Å; E337-Q339 VanDerWaalsContact C-N 3.34Å; E337-Q339 PolarHBondContact O-N 3.02Å; Q339-H342 PolarHBondContact O-N 3.43Å; Q339-E343 PolarHBondContact O-N 3.46Å
340L81Confident81.8Confident89 Ų89101.2 Ų101.247%0.46651%0.505SS..Hα-helixtrans-70-35.8177.6-156.8152.9000111.8K336 E337 E343 E344K336-L340 WeakPolarHBondContact O-CB 3.2Å; K336-L340 PolarHBondContact O-N 2.9Å; K336-L340 VanDerWaalsContact O-N 3.1Å; E337-L340 PolarHBondContact O-N 3.39Å; L340-E343 PolarHBondContact O-N 2.76Å; L340-E344 PolarHBondContact O-N 2.73Å
341N79.7Confident81.7Confident75 Ų7599.3 Ų99.340%0.40149%0.494SS..Hα-helixtrans-63.9-38.8171.6-73.5-24.1000111.8E337 N338 E344 L345E337-N341 WeakPolarHBondContact O-CB 3.4Å; E337-N341 VanDerWaalsContact O-CG 3.27Å; E337-N341 PolarHBondContact O-N 2.73Å; E337-N341 PolarHBondContact O-ND2 2.9Å; N338-N341 PolarHBondContact O-N 2.81Å; N341-E344 PolarHBondContact O-N 2.84Å; N341-L345 PolarHBondContact O-N 2.84Å
342H83.9Confident81.4Confident132 Ų13297.4 Ų97.461%0.61149%0.487SS*.Hα-helixtrans-66.5-40.9175.2-161.846.3000111.6N338 Q339 E344 L345 S346N338-H342 PolarHBondContact O-N 3.47Å; Q339-H342 PolarHBondContact O-N 3.43Å; H342-E344 VanDerWaalsContact C-N 3.32Å; H342-E344 PolarHBondContact O-N 3.09Å; H342-L345 WeakPolarHBondContact O-CB 3.37Å; H342-L345 PolarHBondContact O-N 2.83Å; H342-L345 VanDerWaalsContact O-N 3.13Å; H342-S346 PolarHBondContact O-N 2.71Å; H342-S346 PolarHBondContact O-OG 3.04Å
343E82.5Confident81.3Confident110 Ų110100.1 Ų100.151%0.51449%0.489SS..Hα-helixtrans-66.9-25.6172.1-71.6178-167.500114Q339 L340 R347Q339-E343 PolarHBondContact O-N 3.46Å; L340-E343 PolarHBondContact O-N 2.76Å; E343-R347 PolarHBondContact O-NE 2.89Å
344E79.9Confident81.5Confident48 Ų4898.3 Ų98.322%0.22448%0.476CS..Hα-helixtrans-78.6-31168.8-170.5171.4154.800111.6L340 N341 H342 R347 K348 R1806L340-E344 PolarHBondContact O-N 2.73Å; N341-E344 PolarHBondContact O-N 2.84Å; H342-E344 VanDerWaalsContact C-N 3.32Å; H342-E344 PolarHBondContact O-N 3.09Å; E344-R347 PolarHBondContact O-N 2.8Å; E344-K348 WeakPolarHBondContact O-CG 3.45Å; E344-K348 PolarHBondContact O-N 3.32Å; E344-K348 VanDerWaalsContact O-N 3.1Å; E344-K348 VanDerWaalsContact OE1-CE 3.27Å; E344-K348 WeakPolarHBondContact OE1-CE 3.41Å; E344-K348 IonicContact OE1-NZ 3.35Å; E344-K348 PolarHBondContact OE1-NZ 3.34Å; E344-R1806 IonicContact OE1-CZ 2.68Å; E344-R1806 IonicContact OE1-NH1 3.1Å; E344-R1806 PolarHBondContact OE1-NH1 3.44Å
345L80Confident81.6Confident98 Ų9896.3 Ų96.351%0.51347%0.466SS..Hα-helixtrans-65.6-53175.6-130.1113.8000111.4N341 H342 R347 K348 D349N341-L345 PolarHBondContact O-N 2.84Å; H342-L345 WeakPolarHBondContact O-CB 3.37Å; H342-L345 PolarHBondContact O-N 2.83Å; H342-L345 VanDerWaalsContact O-N 3.13Å; L345-R347 PolarHBondContact O-N 3.13Å; L345-R347 VanDerWaalsContact O-N 3.13Å; L345-K348 CarbonylContact O-C 3.48Å; L345-K348 WeakPolarHBondContact O-CA 3.49Å; L345-K348 WeakPolarHBondContact O-CB 3.47Å; L345-K348 PolarHBondContact O-N 2.93Å; L345-D349 PolarHBondContact O-N 2.75Å
346S81.7Confident81.7Confident60 Ų6093.7 Ų93.742%0.4246%0.455SS..Hα-helixtrans-62.2-25.9178.5-53.10000113.6H342 T350H342-S346 PolarHBondContact O-N 2.71Å; H342-S346 PolarHBondContact O-OG 3.04Å; S346-T350 PolarHBondContact O-N 3.42Å; S346-T350 PolarHBondContact O-OG1 2.9Å
347R82.7Confident81.7Confident148 Ų14892.1 Ų92.156%0.55845%0.453SS*.Hα-helixtrans-74.5-29170.6-83.6-177.3-72.2161.3-3.7113.3E343 E344 L345 T350 E351E343-R347 PolarHBondContact O-NE 2.89Å; E344-R347 PolarHBondContact O-N 2.8Å; L345-R347 PolarHBondContact O-N 3.13Å; L345-R347 VanDerWaalsContact O-N 3.13Å; R347-T350 WeakPolarHBondContact CA-OG1 3.38Å; R347-T350 PolarHBondContact O-OG1 3.02Å; R347-E351 WeakPolarHBondContact O-CB 3.38Å; R347-E351 PolarHBondContact O-N 3.32Å
348K82.8Confident81.9Confident93 Ų9389.1 Ų89.140%0.40444%0.439SS..Hα-helixtrans-75.4-40171.2-74.2170.4-175.6157.90111.3E344 L345 T350 E351 I352E344-K348 WeakPolarHBondContact O-CG 3.45Å; E344-K348 PolarHBondContact O-N 3.32Å; E344-K348 VanDerWaalsContact O-N 3.1Å; E344-K348 VanDerWaalsContact OE1-CE 3.27Å; E344-K348 WeakPolarHBondContact OE1-CE 3.41Å; E344-K348 IonicContact OE1-NZ 3.35Å; E344-K348 PolarHBondContact OE1-NZ 3.34Å; L345-K348 CarbonylContact O-C 3.48Å; L345-K348 WeakPolarHBondContact O-CA 3.49Å; L345-K348 WeakPolarHBondContact O-CB 3.47Å; L345-K348 PolarHBondContact O-N 2.93Å; K348-T350 VanDerWaalsContact C-N 3.34Å; K348-T350 PolarHBondContact O-N 2.82Å; K348-E351 CarbonylContact O-C 3.58Å; K348-E351 PolarHBondContact O-N 3.22Å; K348-E351 VanDerWaalsContact O-N 3.11Å; K348-I352 WeakPolarHBondContact O-CB 3.35Å; K348-I352 VanDerWaalsContact O-CG1 3.25Å; K348-I352 WeakPolarHBondContact O-CG1 3.44Å; K348-I352 PolarHBondContact O-N 2.9Å
349D84.3Confident81.8Confident83 Ų8388.7 Ų88.744%0.44444%0.435SS..Hα-helixtrans-60.5-44.3177.7-58.8-32.9000111.1L345 I352 E353L345-D349 PolarHBondContact O-N 2.75Å; D349-I352 WeakPolarHBondContact O-CB 3.38Å; D349-I352 PolarHBondContact O-N 3.4Å; D349-E353 PolarHBondContact O-N 2.84Å
350T84.8Confident81.7Confident81 Ų8186.9 Ų86.950%0.49743%0.43SS..Hα-helixtrans-69.2-29.7173.846.70000113.8S346 R347 K348 R354S346-T350 PolarHBondContact O-N 3.42Å; S346-T350 PolarHBondContact O-OG1 2.9Å; R347-T350 WeakPolarHBondContact CA-OG1 3.38Å; R347-T350 PolarHBondContact O-OG1 3.02Å; K348-T350 VanDerWaalsContact C-N 3.34Å; K348-T350 PolarHBondContact O-N 2.82Å; T350-R354 PolarHBondContact O-N 3.34Å
351E78.9Confident81.8Confident63 Ų6387 Ų8729%0.29443%0.428SS..Hα-helixtrans-72.5-34.1171.1-171.8164.3-150.800112R347 K348 R354 L355 S1799R347-E351 WeakPolarHBondContact O-CB 3.38Å; R347-E351 PolarHBondContact O-N 3.32Å; K348-E351 CarbonylContact O-C 3.58Å; K348-E351 PolarHBondContact O-N 3.22Å; K348-E351 VanDerWaalsContact O-N 3.11Å; E351-R354 IonicContact OE1-NH2 3.9Å; E351-L355 HydrophobicContact CG-CD1 4.12Å; E351-L355 WeakPolarHBondContact O-CB 3.31Å; E351-L355 WeakPolarHBondContact O-CD1 3.4Å; E351-L355 VanDerWaalsContact O-CG 3.28Å; E351-L355 WeakPolarHBondContact O-CG 3.29Å; E351-L355 PolarHBondContact O-N 2.85Å; E351-S1799 PolarHBondContact OE1-OG 2.84Å
352I78.2Confident81.8Confident84 Ų8488.7 Ų88.743%0.43144%0.437SS..Hα-helixtrans-66.2-45.8173.6-71.4162.8000110.6K348 D349 R354 L355 N356K348-I352 WeakPolarHBondContact O-CB 3.35Å; K348-I352 VanDerWaalsContact O-CG1 3.25Å; K348-I352 WeakPolarHBondContact O-CG1 3.44Å; K348-I352 PolarHBondContact O-N 2.9Å; D349-I352 WeakPolarHBondContact O-CB 3.38Å; D349-I352 PolarHBondContact O-N 3.4Å; I352-R354 VanDerWaalsContact C-N 3.34Å; I352-R354 PolarHBondContact O-N 3.39Å; I352-L355 CarbonylContact O-C 3.58Å; I352-L355 WeakPolarHBondContact O-CA 3.34Å; I352-L355 WeakPolarHBondContact O-CB 3.38Å; I352-L355 PolarHBondContact O-N 3.28Å; I352-L355 VanDerWaalsContact O-N 3.09Å; I352-N356 PolarHBondContact O-N 3.25Å
353E81.6Confident81.7Confident120 Ų12086.2 Ų86.256%0.56143%0.427SS*.Hα-helixtrans-59.8-44176.6-170.4175.9-160.500111.6D349 L355 N356 N357D349-E353 PolarHBondContact O-N 2.84Å; E353-L355 PolarHBondContact O-N 3.48Å; E353-N356 PolarHBondContact O-N 2.9Å; E353-N357 PolarHBondContact O-N 3.34Å
354R84.9Confident81.7Confident90 Ų9087.4 Ų87.434%0.3443%0.433SS..Hα-helixtrans-65.2-35.7172.7-171.5-170.766.998.1-9.7112.9T350 E351 I352 Q358T350-R354 PolarHBondContact O-N 3.34Å; E351-R354 IonicContact OE1-NH2 3.9Å; I352-R354 VanDerWaalsContact C-N 3.34Å; I352-R354 PolarHBondContact O-N 3.39Å; R354-Q358 PolarHBondContact O-N 3.19Å
355L81Confident81.8Confident46 Ų4689.8 Ų89.824%0.24144%0.442CS..Hα-helixtrans-64.6-47.2174.8-84.8159.1000110.7E351 I352 E353 Q358 I359 K1796E351-L355 HydrophobicContact CG-CD1 4.12Å; E351-L355 WeakPolarHBondContact O-CB 3.31Å; E351-L355 WeakPolarHBondContact O-CD1 3.4Å; E351-L355 VanDerWaalsContact O-CG 3.28Å; E351-L355 WeakPolarHBondContact O-CG 3.29Å; E351-L355 PolarHBondContact O-N 2.85Å; I352-L355 CarbonylContact O-C 3.58Å; I352-L355 WeakPolarHBondContact O-CA 3.34Å; I352-L355 WeakPolarHBondContact O-CB 3.38Å; I352-L355 PolarHBondContact O-N 3.28Å; I352-L355 VanDerWaalsContact O-N 3.09Å; E353-L355 PolarHBondContact O-N 3.48Å; L355-Q358 CarbonylContact O-C 3.52Å; L355-Q358 PolarHBondContact O-N 3.04Å; L355-I359 WeakPolarHBondContact O-CG1 3.49Å; L355-I359 PolarHBondContact O-N 3.04Å; L355-K1796 HydrophobicContact CD2-CD 4.15Å; L355-K1796 VanDerWaalsContact CD2-CE 3.42Å
356N82.6Confident81.9Confident82 Ų8289.9 Ų89.944%0.43944%0.443SS..Hα-helixtrans-60-45.4178.1-71-10.7000112I352 E353 Q358 I359 N360I352-N356 PolarHBondContact O-N 3.25Å; E353-N356 PolarHBondContact O-N 2.9Å; N356-Q358 VanDerWaalsContact C-N 3.27Å; N356-Q358 PolarHBondContact O-N 2.98Å; N356-I359 WeakPolarHBondContact O-CB 3.22Å; N356-I359 PolarHBondContact O-N 2.95Å; N356-N360 PolarHBondContact O-N 2.98Å
357N83.1Confident81.9Confident100 Ų10091.4 Ų91.454%0.53545%0.447SS..Hα-helixtrans-59.3-38.6176.7-71.8-18.1000112.5E353 E361E353-N357 PolarHBondContact O-N 3.34Å; N357-E361 PolarHBondContact O-N 3.27Å; N357-E361 VanDerWaalsContact O-N 3.14Å
358Q81.6Confident82Confident46 Ų4688.4 Ų88.422%0.21544%0.444CS..Hα-helixtrans-79.4-20175.8-69.2-168.8-97.400113.7R354 L355 N356 L362R354-Q358 PolarHBondContact O-N 3.19Å; L355-Q358 CarbonylContact O-C 3.52Å; L355-Q358 PolarHBondContact O-N 3.04Å; N356-Q358 VanDerWaalsContact C-N 3.27Å; N356-Q358 PolarHBondContact O-N 2.98Å; Q358-L362 WeakPolarHBondContact O-CD1 3.49Å; Q358-L362 VanDerWaalsContact O-CG 3.27Å; Q358-L362 WeakPolarHBondContact O-CG 3.45Å; Q358-L362 PolarHBondContact O-N 3.2Å
359I79.7Confident81.7Confident81 Ų8187.5 Ų87.542%0.41545%0.45SS..Hα-helixtrans-71.3-44.3168.7-73.1164.7000109.2L355 N356 E361 L362 I363L355-I359 WeakPolarHBondContact O-CG1 3.49Å; L355-I359 PolarHBondContact O-N 3.04Å; N356-I359 WeakPolarHBondContact O-CB 3.22Å; N356-I359 PolarHBondContact O-N 2.95Å; I359-E361 VanDerWaalsContact C-N 3.34Å; I359-E361 PolarHBondContact O-N 3.21Å; I359-L362 CarbonylContact O-C 3.58Å; I359-L362 PolarHBondContact O-N 3.2Å; I359-I363 HydrophobicContact CG2-CD1 3.84Å; I359-I363 HydrophobicContact CG2-CG1 4.39Å; I359-I363 WeakPolarHBondContact O-CG1 3.05Å; I359-I363 PolarHBondContact O-N 2.87Å
360N81.6Confident81.4Confident96 Ų9687 Ų8751%0.51345%0.447SS..Hα-helixtrans-59.7-43.2175.7-65.7-12.5000111.7N356 L362 I363 E364N356-N360 PolarHBondContact O-N 2.98Å; N360-L362 VanDerWaalsContact C-N 3.26Å; N360-L362 PolarHBondContact O-N 3.43Å; N360-I363 PolarHBondContact O-N 3.05Å; N360-E364 PolarHBondContact O-N 3.31Å
361E82.3Confident81.3Confident91 Ų9186.5 Ų86.543%0.42545%0.447SS..Hα-helixtrans-64.6-27.8175-159-161147.800113.1N357 I359 K365N357-E361 PolarHBondContact O-N 3.27Å; N357-E361 VanDerWaalsContact O-N 3.14Å; I359-E361 VanDerWaalsContact C-N 3.34Å; I359-E361 PolarHBondContact O-N 3.21Å; E361-K365 WeakPolarHBondContact O-CD 3.35Å; E361-K365 VanDerWaalsContact O-CG 3.31Å; E361-K365 WeakPolarHBondContact O-CG 3.38Å; E361-K365 PolarHBondContact O-N 2.92Å; E361-K365 IonicContact OE1-NZ 2.88Å; E361-K365 PolarHBondContact OE1-NZ 2.96Å
362L79.1Confident81.4Confident111 Ų11187.7 Ų87.758%0.58146%0.458SS*.Hα-helixtrans-80.6-32.5173.6-75.4169.4000112.4Q358 I359 N360 K365 L366Q358-L362 WeakPolarHBondContact O-CD1 3.49Å; Q358-L362 VanDerWaalsContact O-CG 3.27Å; Q358-L362 WeakPolarHBondContact O-CG 3.45Å; Q358-L362 PolarHBondContact O-N 3.2Å; I359-L362 CarbonylContact O-C 3.58Å; I359-L362 PolarHBondContact O-N 3.2Å; N360-L362 VanDerWaalsContact C-N 3.26Å; N360-L362 PolarHBondContact O-N 3.43Å; L362-K365 PolarHBondContact O-N 3.14Å; L362-L366 WeakPolarHBondContact O-CB 3.25Å; L362-L366 PolarHBondContact O-N 3.23Å
363I82.8Confident81.6Confident80 Ų8092 Ų9241%0.4147%0.469SS..Hα-helixtrans-64.9-45.5172-68.8166.6000109.7I359 N360 K365 L366 D367I359-I363 HydrophobicContact CG2-CD1 3.84Å; I359-I363 HydrophobicContact CG2-CG1 4.39Å; I359-I363 WeakPolarHBondContact O-CG1 3.05Å; I359-I363 PolarHBondContact O-N 2.87Å; N360-I363 PolarHBondContact O-N 3.05Å; I363-K365 VanDerWaalsContact C-N 3.27Å; I363-K365 PolarHBondContact O-N 3.05Å; I363-L366 CarbonylContact O-C 3.51Å; I363-L366 WeakPolarHBondContact O-CA 3.33Å; I363-L366 WeakPolarHBondContact O-CB 3.35Å; I363-L366 PolarHBondContact O-N 3.46Å; I363-D367 PolarHBondContact O-N 3.14Å
364E82.9Confident81.6Confident135 Ų13592.6 Ų92.663%0.63147%0.472SS*.Hα-helixtrans-61.3-34.3176.3-167.6176.7-170.100112.5N360 T368N360-E364 PolarHBondContact O-N 3.31Å; E364-T368 WeakPolarHBondContact O-CG2 3.16Å; E364-T368 PolarHBondContact O-N 3.02Å; E364-T368 VanDerWaalsContact O-N 3.1Å; E364-T368 PolarHBondContact O-OG1 2.9Å
365K82.1Confident81.5Confident97 Ų9795 Ų9542%0.42249%0.485SS..Hα-helixtrans-72.4-31.7171.6-72.6169-167.8165.90113.2E361 L362 I363 T368 S369E361-K365 WeakPolarHBondContact O-CD 3.35Å; E361-K365 VanDerWaalsContact O-CG 3.31Å; E361-K365 WeakPolarHBondContact O-CG 3.38Å; E361-K365 PolarHBondContact O-N 2.92Å; E361-K365 IonicContact OE1-NZ 2.88Å; E361-K365 PolarHBondContact OE1-NZ 2.96Å; L362-K365 PolarHBondContact O-N 3.14Å; I363-K365 VanDerWaalsContact C-N 3.27Å; I363-K365 PolarHBondContact O-N 3.05Å; K365-T368 WeakPolarHBondContact CA-OG1 3.23Å; K365-T368 PolarHBondContact O-OG1 3.24Å; K365-T368 VanDerWaalsContact O-OG1 3.14Å; K365-S369 VanDerWaalsContact O-CB 3.31Å; K365-S369 WeakPolarHBondContact O-CB 3.42Å; K365-S369 PolarHBondContact O-N 3.42Å
366L81.1Confident81.4Confident100 Ų10098.1 Ų98.152%0.52450%0.501SS..Hα-helixtrans-71.4-45.7174.2-177.661.6000110.8L362 I363 T368 S369 L370L362-L366 WeakPolarHBondContact O-CB 3.25Å; L362-L366 PolarHBondContact O-N 3.23Å; I363-L366 CarbonylContact O-C 3.51Å; I363-L366 WeakPolarHBondContact O-CA 3.33Å; I363-L366 WeakPolarHBondContact O-CB 3.35Å; I363-L366 PolarHBondContact O-N 3.46Å; L366-T368 PolarHBondContact O-N 3.5Å; L366-S369 CarbonylContact O-C 3.6Å; L366-S369 PolarHBondContact O-N 3.21Å; L366-S369 VanDerWaalsContact O-N 3.13Å; L366-L370 HydrophobicContact CD1-CD1 4.4Å; L366-L370 HydrophobicContact CD1-CG 4.3Å; L366-L370 HydrophobicContact CG-CD1 4.03Å; L366-L370 HydrophobicContact CG-CG 4.37Å; L366-L370 WeakPolarHBondContact O-CB 3.47Å; L366-L370 VanDerWaalsContact O-CG 3.32Å; L366-L370 WeakPolarHBondContact O-CG 3.26Å; L366-L370 PolarHBondContact O-N 2.6Å
367D82.1Confident81.3Confident93 Ų9398.3 Ų98.350%0.49750%0.5SS..Hα-helixtrans-62.3-41.7178.3-70.5-19.6000111.5I363 L370 S371I363-D367 PolarHBondContact O-N 3.14Å; D367-L370 PolarHBondContact O-N 3.01Å; D367-S371 WeakPolarHBondContact O-CB 3.33Å; D367-S371 PolarHBondContact O-N 3.01Å
368T84Confident81.5Confident84 Ų84100.3 Ų100.352%0.51550%0.504SS..Hα-helixtrans-66.5-37.9172.7470000112.5E364 K365 L366 V372E364-T368 WeakPolarHBondContact O-CG2 3.16Å; E364-T368 PolarHBondContact O-N 3.02Å; E364-T368 VanDerWaalsContact O-N 3.1Å; E364-T368 PolarHBondContact O-OG1 2.9Å; K365-T368 WeakPolarHBondContact CA-OG1 3.23Å; K365-T368 PolarHBondContact O-OG1 3.24Å; K365-T368 VanDerWaalsContact O-OG1 3.14Å; L366-T368 PolarHBondContact O-N 3.5Å; T368-V372 WeakPolarHBondContact O-CG2 3.28Å; T368-V372 PolarHBondContact O-N 2.87Å
369S76.2Confident81.5Confident74 Ų74101.8 Ų101.852%0.51751%0.513SS..Hα-helixtrans-68.2-33.4173.3-173.40000113.1K365 L366 R373K365-S369 VanDerWaalsContact O-CB 3.31Å; K365-S369 WeakPolarHBondContact O-CB 3.42Å; K365-S369 PolarHBondContact O-N 3.42Å; L366-S369 CarbonylContact O-C 3.6Å; L366-S369 PolarHBondContact O-N 3.21Å; L366-S369 VanDerWaalsContact O-N 3.13Å; S369-R373 WeakPolarHBondContact O-CB 3.29Å; S369-R373 PolarHBondContact O-N 3.07Å
370L79.3Confident81.6Confident72 Ų72102.3 Ų102.338%0.37752%0.516SS..Hα-helixtrans-70-45.1175.1-74.9171.6000110.2L366 D367 V372 R373 E374L366-L370 HydrophobicContact CD1-CD1 4.4Å; L366-L370 HydrophobicContact CD1-CG 4.3Å; L366-L370 HydrophobicContact CG-CD1 4.03Å; L366-L370 HydrophobicContact CG-CG 4.37Å; L366-L370 WeakPolarHBondContact O-CB 3.47Å; L366-L370 VanDerWaalsContact O-CG 3.32Å; L366-L370 WeakPolarHBondContact O-CG 3.26Å; L366-L370 PolarHBondContact O-N 2.6Å; D367-L370 PolarHBondContact O-N 3.01Å; L370-V372 VanDerWaalsContact C-N 3.31Å; L370-V372 PolarHBondContact O-N 3.1Å; L370-R373 CarbonylContact O-C 3.59Å; L370-R373 WeakPolarHBondContact O-CA 3.42Å; L370-R373 WeakPolarHBondContact O-CB 3.43Å; L370-R373 PolarHBondContact O-N 3.16Å; L370-E374 WeakPolarHBondContact O-CG 3.14Å; L370-E374 PolarHBondContact O-N 2.89Å
371S83Confident81.7Confident72 Ų72101.8 Ų101.850%0.50351%0.513SS..Hα-helixtrans-59.4-38.6174.2-175.20000112.7D367 K375D367-S371 WeakPolarHBondContact O-CB 3.33Å; D367-S371 PolarHBondContact O-N 3.01Å; S371-K375 WeakPolarHBondContact O-CB 3.37Å; S371-K375 PolarHBondContact O-N 2.94Å
372V80.9Confident81.8Confident88 Ų88102.6 Ų102.653%0.53352%0.517SS..Hα-helixtrans-66.7-38.8172.1170.90000111.7T368 L370 K375 L376T368-V372 WeakPolarHBondContact O-CG2 3.28Å; T368-V372 PolarHBondContact O-N 2.87Å; L370-V372 VanDerWaalsContact C-N 3.31Å; L370-V372 PolarHBondContact O-N 3.1Å; V372-K375 PolarHBondContact O-N 3.4Å; V372-L376 HydrophobicContact CG1-CD1 4.12Å; V372-L376 WeakPolarHBondContact O-CG 3.21Å; V372-L376 PolarHBondContact O-N 3.33Å
373R80.7Confident81.8Confident173 Ų173102.8 Ų102.865%0.65352%0.518SS*.Hα-helixtrans-67.8-41.2176.3-179.2179.7171.1-176.8-3.9112.2S369 L370 K375 L376 Q377S369-R373 WeakPolarHBondContact O-CB 3.29Å; S369-R373 PolarHBondContact O-N 3.07Å; L370-R373 CarbonylContact O-C 3.59Å; L370-R373 WeakPolarHBondContact O-CA 3.42Å; L370-R373 WeakPolarHBondContact O-CB 3.43Å; L370-R373 PolarHBondContact O-N 3.16Å; R373-K375 VanDerWaalsContact C-N 3.33Å; R373-L376 PolarHBondContact O-N 3.01Å; R373-Q377 WeakPolarHBondContact O-CB 3.28Å; R373-Q377 PolarHBondContact O-N 3.43Å
374E82.2Confident81.9Confident134 Ų134101.9 Ų101.963%0.62652%0.516SS*.Hα-helixtrans-61.1-42.5174.1-73.6173.3168.600110.9L370 Q377 F378L370-E374 WeakPolarHBondContact O-CG 3.14Å; L370-E374 PolarHBondContact O-N 2.89Å; E374-Q377 PolarHBondContact O-N 2.85Å; E374-F378 WeakPolarHBondContact O-CB 3.42Å; E374-F378 PolarHBondContact O-N 3.46Å
375K84.1Confident81.9Confident139 Ų13999.6 Ų99.660%0.60451%0.505SS*.Hα-helixtrans-63.6-44.5173.8-172.5179178-175.90112.6S371 V372 R373 Q377 F378 D379S371-K375 WeakPolarHBondContact O-CB 3.37Å; S371-K375 PolarHBondContact O-N 2.94Å; V372-K375 PolarHBondContact O-N 3.4Å; R373-K375 VanDerWaalsContact C-N 3.33Å; K375-Q377 VanDerWaalsContact C-N 3.32Å; K375-Q377 PolarHBondContact O-N 3.13Å; K375-F378 PolarHBondContact O-N 2.87Å; K375-D379 PolarHBondContact O-N 2.91Å
376L76.9Confident81.9Confident112 Ų11299.8 Ų99.859%0.58651%0.506SS*.Hα-helixtrans-66-34.1176.3-75.5170.9000112.5V372 R373 L380V372-L376 HydrophobicContact CG1-CD1 4.12Å; V372-L376 WeakPolarHBondContact O-CG 3.21Å; V372-L376 PolarHBondContact O-N 3.33Å; R373-L376 PolarHBondContact O-N 3.01Å; L376-L380 VanDerWaalsContact O-CB 3.27Å; L376-L380 WeakPolarHBondContact O-CB 3.3Å; L376-L380 PolarHBondContact O-N 3.48Å
377Q81Confident81.8Confident87 Ų87100.8 Ų100.841%0.40751%0.507SS..Hα-helixtrans-66.1-45.6172.6-17463.348.100110.5R373 E374 K375 D379 L380 D381R373-Q377 WeakPolarHBondContact O-CB 3.28Å; R373-Q377 PolarHBondContact O-N 3.43Å; E374-Q377 PolarHBondContact O-N 2.85Å; K375-Q377 VanDerWaalsContact C-N 3.32Å; K375-Q377 PolarHBondContact O-N 3.13Å; Q377-D379 PolarHBondContact O-N 2.76Å; Q377-L380 PolarHBondContact O-N 2.85Å; Q377-D381 PolarHBondContact NE2-OD1 2.84Å; Q377-D381 PolarHBondContact NE2-OD2 3.17Å; Q377-D381 WeakPolarHBondContact O-CB 3.33Å; Q377-D381 PolarHBondContact O-N 2.94Å
378F87.1Confident81.8Confident141 Ų14198.2 Ų98.262%0.61849%0.494SS*.Hα-helixtrans-60-43.5174.6179.6-90.9000112.6E374 K375 L380 D381 H382E374-F378 WeakPolarHBondContact O-CB 3.42Å; E374-F378 PolarHBondContact O-N 3.46Å; K375-F378 PolarHBondContact O-N 2.87Å; F378-L380 VanDerWaalsContact C-N 3.34Å; F378-L380 PolarHBondContact O-N 2.72Å; F378-D381 PolarHBondContact O-N 3Å; F378-H382 WeakPolarHBondContact O-CB 3.25Å; F378-H382 PolarHBondContact O-N 2.86Å
379D82.9Confident81.6Confident77 Ų77101 Ų10141%0.41250%0.495SS..Hα-helixtrans-65.3-36.5176-73.9-29.3000111.7K375 Q377 L383K375-D379 PolarHBondContact O-N 2.91Å; Q377-D379 PolarHBondContact O-N 2.76Å; D379-L383 WeakPolarHBondContact O-CB 3.22Å; D379-L383 PolarHBondContact O-N 3.2Å
380L81.6Confident81.7Confident93 Ų93101 Ų10149%0.48749%0.493SS..Hα-helixtrans-70.2-41.2175.1-176.965.3000112.2L376 Q377 F378 L383 T384L376-L380 VanDerWaalsContact O-CB 3.27Å; L376-L380 WeakPolarHBondContact O-CB 3.3Å; L376-L380 PolarHBondContact O-N 3.48Å; Q377-L380 PolarHBondContact O-N 2.85Å; F378-L380 VanDerWaalsContact C-N 3.34Å; F378-L380 PolarHBondContact O-N 2.72Å; L380-L383 PolarHBondContact O-N 3.41Å; L380-T384 VanDerWaalsContact O-CB 3.3Å; L380-T384 WeakPolarHBondContact O-CB 3.3Å; L380-T384 PolarHBondContact O-N 2.91Å; L380-T384 PolarHBondContact O-OG1 2.85Å
381D83.7Confident81.8Confident84 Ų84100.4 Ų100.445%0.44949%0.487SS..Hα-helixtrans-66.7-40.6176.9-67.7-21.5000110.4Q377 F378 T384 E385Q377-D381 PolarHBondContact NE2-OD1 2.84Å; Q377-D381 PolarHBondContact NE2-OD2 3.17Å; Q377-D381 WeakPolarHBondContact O-CB 3.33Å; Q377-D381 PolarHBondContact O-N 2.94Å; F378-D381 PolarHBondContact O-N 3Å; D381-T384 PolarHBondContact O-N 3.29Å; D381-E385 WeakPolarHBondContact O-CB 3.36Å; D381-E385 PolarHBondContact O-N 3.42Å
382H84.4Confident81.7Confident109 Ų109103.5 Ų103.551%0.50549%0.488SS..Hα-helixtrans-65.4-38.9173.4-177.852.9000112.9F378 E385 K386F378-H382 WeakPolarHBondContact O-CB 3.25Å; F378-H382 PolarHBondContact O-N 2.86Å; H382-E385 PolarHBondContact O-N 3.45Å; H382-K386 PolarHBondContact NE2-NZ 2.87Å; H382-K386 PolarHBondContact O-N 2.7Å
383L79.6Confident81.7Confident114 Ų114104.9 Ų104.960%0.59749%0.488SS*.Hα-helixtrans-68.6-38.2174.4-171.265.7000111.4D379 L380 K386 F387D379-L383 WeakPolarHBondContact O-CB 3.22Å; D379-L383 PolarHBondContact O-N 3.2Å; L380-L383 PolarHBondContact O-N 3.41Å; L383-K386 PolarHBondContact O-N 2.86Å; L383-F387 PolarHBondContact O-N 3.2Å
384T83.3Confident81.4Confident61 Ų61100.3 Ų100.337%0.37448%0.482SS..Hα-helixtrans-65.5-42.5174.4-57.90000110.6L380 D381 K386 F387 V388L380-T384 VanDerWaalsContact O-CB 3.3Å; L380-T384 WeakPolarHBondContact O-CB 3.3Å; L380-T384 PolarHBondContact O-N 2.91Å; L380-T384 PolarHBondContact O-OG1 2.85Å; D381-T384 PolarHBondContact O-N 3.29Å; T384-K386 PolarHBondContact O-N 2.84Å; T384-F387 PolarHBondContact O-N 3.35Å; T384-F387 VanDerWaalsContact O-N 3.17Å; T384-V388 HydrophobicContact CG2-CG2 4.47Å; T384-V388 VanDerWaalsContact O-CG2 3.3Å; T384-V388 WeakPolarHBondContact O-CG2 3.3Å; T384-V388 PolarHBondContact O-N 3.21Å
385E83.9Confident81.1Confident87 Ų8796.2 Ų96.241%0.40747%0.466SS..Hα-helixtrans-62.4-42.5175.6-156.9-153.2156.700111.5D381 H382 F387 V388 R389D381-E385 WeakPolarHBondContact O-CB 3.36Å; D381-E385 PolarHBondContact O-N 3.42Å; H382-E385 PolarHBondContact O-N 3.45Å; E385-F387 PolarHBondContact O-N 3.49Å; E385-V388 PolarHBondContact O-N 2.98Å; E385-R389 WeakPolarHBondContact O-CG 3.5Å; E385-R389 PolarHBondContact O-N 2.87Å; E385-R389 IonicContact OE1-CZ 3.7Å; E385-R389 IonicContact OE1-NE 3.31Å; E385-R389 PolarHBondContact OE1-NE 3.25Å; E385-R389 IonicContact OE1-NH2 2.8Å; E385-R389 PolarHBondContact OE1-NH2 3.43Å; E385-R389 IonicContact OE2-NH2 3.53Å
386K82.5Confident80.9Confident101 Ų10193.5 Ų93.544%0.43946%0.458SS..Hα-helixtrans-59.5-44.6172-80.3174.9175.91680112H382 L383 T384 R389 T390H382-K386 PolarHBondContact NE2-NZ 2.87Å; H382-K386 PolarHBondContact O-N 2.7Å; L383-K386 PolarHBondContact O-N 2.86Å; T384-K386 PolarHBondContact O-N 2.84Å; K386-R389 PolarHBondContact O-N 3.28Å; K386-T390 PolarHBondContact O-N 3.39Å; K386-T390 PolarHBondContact O-OG1 3.47Å
387F78.8Confident81Confident122 Ų12293.5 Ų93.554%0.53546%0.458SS..Hα-helixtrans-65.2-39.9177.9-172.6-109.7000112.2L383 T384 E385 K391 H956L383-F387 PolarHBondContact O-N 3.2Å; T384-F387 PolarHBondContact O-N 3.35Å; T384-F387 VanDerWaalsContact O-N 3.17Å; E385-F387 PolarHBondContact O-N 3.49Å; F387-K391 VanDerWaalsContact O-CB 3.3Å; F387-K391 WeakPolarHBondContact O-CB 3.21Å; F387-K391 PolarHBondContact O-N 3.01Å; F387-H956 AromaticContact CD1-CD2 3.51Å; F387-H956 AromaticContact CD1-NE2 3.45Å; F387-H956 WeakPolarHBondContact CD1-NE2 3.14Å; F387-H956 AromaticContact CE1-CD2 3.47Å; F387-H956 VanDerWaalsContact CE1-CD2 3.47Å; F387-H956 WeakPolarHBondContact CE1-CD2 3.47Å; F387-H956 AromaticContact CE1-NE2 3.91Å
388V82.2Confident80.8Confident39 Ų3993.8 Ų93.824%0.23646%0.459CS..Hα-helixtrans-60.4-46.3171.8171.20000110.9T384 E385 K391 R392 H956T384-V388 HydrophobicContact CG2-CG2 4.47Å; T384-V388 VanDerWaalsContact O-CG2 3.3Å; T384-V388 WeakPolarHBondContact O-CG2 3.3Å; T384-V388 PolarHBondContact O-N 3.21Å; E385-V388 PolarHBondContact O-N 2.98Å; V388-K391 PolarHBondContact O-N 3.49Å; V388-R392 WeakPolarHBondContact O-CB 3.48Å; V388-R392 PolarHBondContact O-N 2.88Å; V388-H956 VanDerWaalsContact CG2-CE1 3.43Å; V388-H956 WeakPolarHBondContact CG2-CE1 3.23Å; V388-H956 WeakPolarHBondContact CG2-NE2 3.4Å
389R79.9Confident80.3Confident142 Ų14291.9 Ų91.954%0.53646%0.456SS..Hα-helixtrans-61.5-51.9178-73.6-179.1-171-164.17.4111.2E385 K386 K391 R392 E393E385-R389 WeakPolarHBondContact O-CG 3.5Å; E385-R389 PolarHBondContact O-N 2.87Å; E385-R389 IonicContact OE1-CZ 3.7Å; E385-R389 IonicContact OE1-NE 3.31Å; E385-R389 PolarHBondContact OE1-NE 3.25Å; E385-R389 IonicContact OE1-NH2 2.8Å; E385-R389 PolarHBondContact OE1-NH2 3.43Å; E385-R389 IonicContact OE2-NH2 3.53Å; K386-R389 PolarHBondContact O-N 3.28Å; R389-K391 VanDerWaalsContact C-N 3.34Å; R389-K391 PolarHBondContact O-N 2.88Å; R389-R392 WeakPolarHBondContact O-CB 3.2Å; R389-R392 PolarHBondContact O-N 2.99Å; R389-R392 VanDerWaalsContact O-N 3.12Å; R389-E393 WeakPolarHBondContact O-CG 3.38Å; R389-E393 PolarHBondContact O-N 3Å
390T77.9Confident80.1Confident75 Ų7593.9 Ų93.946%0.4646%0.462SS..Hα-helixtrans-63.1-37.5177.7-580000112.2K386 R392 E393 C394K386-T390 PolarHBondContact O-N 3.39Å; K386-T390 PolarHBondContact O-OG1 3.47Å; T390-R392 VanDerWaalsContact C-N 3.34Å; T390-E393 PolarHBondContact O-N 2.77Å; T390-C394 PolarHBondContact O-N 3.3Å; T390-C394 PolarHBondContact O-SG 3.37Å; T390-C394 VanDerWaalsContact O-SG 3.33Å
391K81.2Confident79.7Confident59 Ų5994.6 Ų94.626%0.25747%0.466SS..Hα-helixtrans-68-34.7175-163.2178174.6175.80111.8F387 V388 R389 C394 T395 S955 H956 N957F387-K391 VanDerWaalsContact O-CB 3.3Å; F387-K391 WeakPolarHBondContact O-CB 3.21Å; F387-K391 PolarHBondContact O-N 3.01Å; V388-K391 PolarHBondContact O-N 3.49Å; R389-K391 VanDerWaalsContact C-N 3.34Å; R389-K391 PolarHBondContact O-N 2.88Å; K391-C394 PolarHBondContact O-N 3.41Å; K391-T395 PolarHBondContact O-N 2.93Å; K391-T395 PolarHBondContact O-OG1 2.79Å; K391-S955 PolarHBondContact NZ-O 3.45Å; K391-H956 HydrophobicContact CD-CB 3.89Å; K391-H956 PolarHBondContact NZ-O 2.83Å; K391-N957 HydrophobicContact CD-CB 4.33Å; K391-N957 WeakPolarHBondContact CG-ND2 3.47Å
392R80.7Confident79.2Confident137 Ų13792.6 Ų92.652%0.51746%0.456SS..Hα-helixtrans-67.1-43.6173.5-166.7179.5-65175.41111.6V388 R389 T390 C394 T395 D396V388-R392 WeakPolarHBondContact O-CB 3.48Å; V388-R392 PolarHBondContact O-N 2.88Å; R389-R392 WeakPolarHBondContact O-CB 3.2Å; R389-R392 PolarHBondContact O-N 2.99Å; R389-R392 VanDerWaalsContact O-N 3.12Å; T390-R392 VanDerWaalsContact C-N 3.34Å; R392-C394 VanDerWaalsContact C-N 3.28Å; R392-C394 PolarHBondContact O-N 3.31Å; R392-T395 WeakPolarHBondContact CA-OG1 3.47Å; R392-T395 PolarHBondContact O-N 3.15Å; R392-T395 VanDerWaalsContact O-N 3.14Å; R392-T395 PolarHBondContact O-OG1 3.16Å; R392-D396 WeakPolarHBondContact O-CB 3.44Å; R392-D396 PolarHBondContact O-N 3.5Å
393E80.8Confident78.7Confident116 Ų11691.1 Ų91.154%0.54246%0.458SS..Hα-helixtrans-57.4-41.1172.3-70.8165.1-176.700111.5R389 T390 L397R389-E393 WeakPolarHBondContact O-CG 3.38Å; R389-E393 PolarHBondContact O-N 3Å; T390-E393 PolarHBondContact O-N 2.77Å; E393-L397 WeakPolarHBondContact O-CB 3.4Å; E393-L397 VanDerWaalsContact O-CG 3.27Å; E393-L397 WeakPolarHBondContact O-CG 3.21Å; E393-L397 PolarHBondContact O-N 3.08Å; E393-L397 VanDerWaalsContact O-N 3.08Å
394C74.4Confident78.3Confident77 Ų7791.2 Ų91.252%0.5246%0.458SS..Hα-helixtrans-66.8-38.5174.1-71.20000113.7T390 K391 R392 Q398T390-C394 PolarHBondContact O-N 3.3Å; T390-C394 PolarHBondContact O-SG 3.37Å; T390-C394 VanDerWaalsContact O-SG 3.33Å; K391-C394 PolarHBondContact O-N 3.41Å; R392-C394 VanDerWaalsContact C-N 3.28Å; R392-C394 PolarHBondContact O-N 3.31Å; C394-Q398 WeakPolarHBondContact O-CB 3.42Å; C394-Q398 PolarHBondContact O-N 2.88Å
395T76.7Confident77.7Confident48 Ų4895.4 Ų95.429%0.29447%0.467SS..Hα-helixtrans-69.7-40.5175.250.40000111.7K391 R392 L397 Q398 D399K391-T395 PolarHBondContact O-N 2.93Å; K391-T395 PolarHBondContact O-OG1 2.79Å; R392-T395 WeakPolarHBondContact CA-OG1 3.47Å; R392-T395 PolarHBondContact O-N 3.15Å; R392-T395 VanDerWaalsContact O-N 3.14Å; R392-T395 PolarHBondContact O-OG1 3.16Å; T395-L397 VanDerWaalsContact C-N 3.25Å; T395-L397 PolarHBondContact O-N 3Å; T395-Q398 PolarHBondContact O-N 3.42Å; T395-Q398 VanDerWaalsContact O-N 3.08Å; T395-D399 PolarHBondContact O-N 3.09Å
396D80.1Confident77Confident83 Ų8395.7 Ų95.744%0.44447%0.47SS..Hα-helixtrans-63.9-32.6178-65-5000111.5R392 Q400R392-D396 WeakPolarHBondContact O-CB 3.44Å; R392-D396 PolarHBondContact O-N 3.5Å; D396-Q400 WeakPolarHBondContact O-CB 3.45Å; D396-Q400 VanDerWaalsContact O-CG 3.24Å; D396-Q400 WeakPolarHBondContact O-CG 3.44Å; D396-Q400 PolarHBondContact O-N 3.35Å; D396-Q400 PolarHBondContact O-NE2 2.87Å
397L78.6Confident76.2Confident112 Ų11293.6 Ų93.659%0.58647%0.472SS*.Hα-helixtrans-73.1-38.1171.6-73.3170.9000112.7E393 T395 L401E393-L397 WeakPolarHBondContact O-CB 3.4Å; E393-L397 VanDerWaalsContact O-CG 3.27Å; E393-L397 WeakPolarHBondContact O-CG 3.21Å; E393-L397 PolarHBondContact O-N 3.08Å; E393-L397 VanDerWaalsContact O-N 3.08Å; T395-L397 VanDerWaalsContact C-N 3.25Å; T395-L397 PolarHBondContact O-N 3Å; L397-L401 WeakPolarHBondContact O-CB 3.26Å; L397-L401 PolarHBondContact O-N 2.94Å
398Q76.9Confident75.3Confident92 Ų9292.5 Ų92.543%0.4347%0.471SS..Hα-helixtrans-67.3-43.9176.4-176.361.542.300111.6C394 T395 Q400 L401 D402C394-Q398 WeakPolarHBondContact O-CB 3.42Å; C394-Q398 PolarHBondContact O-N 2.88Å; T395-Q398 PolarHBondContact O-N 3.42Å; T395-Q398 VanDerWaalsContact O-N 3.08Å; Q398-Q400 VanDerWaalsContact C-N 3.31Å; Q398-Q400 PolarHBondContact O-N 3.28Å; Q398-L401 CarbonylContact O-C 3.54Å; Q398-L401 WeakPolarHBondContact O-CA 3.31Å; Q398-L401 WeakPolarHBondContact O-CB 3.34Å; Q398-L401 PolarHBondContact O-N 3.36Å; Q398-D402 PolarHBondContact NE2-OD2 3.04Å; Q398-D402 PolarHBondContact O-N 3.23Å
399D76.4Confident73.9Confident101 Ų10196 Ų9654%0.5449%0.485SS..Hα-helixtrans-65.5-34.4177.7-73.4-13000111.7T395 S403T395-D399 PolarHBondContact O-N 3.09Å; D399-S403 WeakPolarHBondContact O-CB 3.31Å; D399-S403 PolarHBondContact O-N 3.48Å; D399-S403 PolarHBondContact O-OG 3.12Å
400Q77.5Confident72.7Confident119 Ų11995.6 Ų95.656%0.55649%0.489SS*.Hα-helixtrans-64.3-41.5168.8-79.4172.462.500111.9D396 Q398 L404D396-Q400 WeakPolarHBondContact O-CB 3.45Å; D396-Q400 VanDerWaalsContact O-CG 3.24Å; D396-Q400 WeakPolarHBondContact O-CG 3.44Å; D396-Q400 PolarHBondContact O-N 3.35Å; D396-Q400 PolarHBondContact O-NE2 2.87Å; Q398-Q400 VanDerWaalsContact C-N 3.31Å; Q398-Q400 PolarHBondContact O-N 3.28Å; Q400-L404 WeakPolarHBondContact O-CB 3.47Å; Q400-L404 WeakPolarHBondContact O-CG 3.47Å; Q400-L404 PolarHBondContact O-N 3.41Å
401L73.9Confident71.8Confident108 Ų10898.9 Ų98.957%0.56550%0.497SS*.Hα-helixtrans-66-43.9178.7-157.180.6000111.9L397 Q398 L404 R405L397-L401 WeakPolarHBondContact O-CB 3.26Å; L397-L401 PolarHBondContact O-N 2.94Å; Q398-L401 CarbonylContact O-C 3.54Å; Q398-L401 WeakPolarHBondContact O-CA 3.31Å; Q398-L401 WeakPolarHBondContact O-CB 3.34Å; Q398-L401 PolarHBondContact O-N 3.36Å; L401-L404 PolarHBondContact O-N 3.36Å; L401-R405 WeakPolarHBondContact O-CB 3.45Å; L401-R405 PolarHBondContact O-N 2.86Å
402D73.7Confident70.2Confident43 Ų43104.3 Ų104.323%0.2352%0.518CS..Hα-helixtrans-74.3-33178.9-77.9-42.2000112.5Q398 R405 I406Q398-D402 PolarHBondContact NE2-OD2 3.04Å; Q398-D402 PolarHBondContact O-N 3.23Å; D402-R405 PolarHBondContact O-N 3.36Å; D402-R405 IonicContact OD1-CZ 2.72Å; D402-R405 IonicContact OD1-NE 3.51Å; D402-R405 IonicContact OD1-NH1 3.27Å; D402-R405 PolarHBondContact OD1-NH1 2.82Å; D402-I406 WeakPolarHBondContact O-CG1 3.23Å; D402-I406 PolarHBondContact O-N 3.16Å
403S73.7Confident68.7Low78 Ų78104.6 Ų104.655%0.54553%0.528SS..Hα-helixtrans-61.5-42.4169-640000112D399 A407D399-S403 WeakPolarHBondContact O-CB 3.31Å; D399-S403 PolarHBondContact O-N 3.48Å; D399-S403 PolarHBondContact O-OG 3.12Å; S403-A407 WeakPolarHBondContact O-CB 3.48Å; S403-A407 PolarHBondContact O-N 3.23Å
404L71.4Confident67Low115 Ų115107.5 Ų107.560%0.60254%0.541SS*.Hα-helixtrans-63.8-41.9172.9-76.1166.3000111.4Q400 L401 I406 A407 D408Q400-L404 WeakPolarHBondContact O-CB 3.47Å; Q400-L404 WeakPolarHBondContact O-CG 3.47Å; Q400-L404 PolarHBondContact O-N 3.41Å; L401-L404 PolarHBondContact O-N 3.36Å; L404-I406 PolarHBondContact O-N 2.77Å; L404-A407 PolarHBondContact O-N 3.41Å; L404-D408 PolarHBondContact O-N 3.1Å
405R71.2Confident65.8Low149 Ų149108.6 Ų108.656%0.56255%0.546SS*.Hα-helixtrans-62.7-41.9179.1-158-179.297.1-157.214.9112.5L401 D402 Q409L401-R405 WeakPolarHBondContact O-CB 3.45Å; L401-R405 PolarHBondContact O-N 2.86Å; D402-R405 PolarHBondContact O-N 3.36Å; D402-R405 IonicContact OD1-CZ 2.72Å; D402-R405 IonicContact OD1-NE 3.51Å; D402-R405 IonicContact OD1-NH1 3.27Å; D402-R405 PolarHBondContact OD1-NH1 2.82Å; R405-Q409 WeakPolarHBondContact O-CB 3.37Å; R405-Q409 WeakPolarHBondContact O-CG 3.34Å; R405-Q409 PolarHBondContact O-N 3.27Å; R405-Q409 VanDerWaalsContact O-N 3.1Å
406I67.7Low64.1Low94 Ų94112.2 Ų112.248%0.48257%0.568SS.*Hα-helixtrans-69.4-42.2176.5-66.1163.4000110.5D402 L404 D408 Q409 Q410D402-I406 WeakPolarHBondContact O-CG1 3.23Å; D402-I406 PolarHBondContact O-N 3.16Å; L404-I406 PolarHBondContact O-N 2.77Å; I406-D408 PolarHBondContact O-N 3.36Å; I406-Q409 PolarHBondContact O-N 3.48Å; I406-Q410 PolarHBondContact O-N 3.4Å
407A67Low62.1Low56 Ų56115.6 Ų115.646%0.46359%0.585SS.*Hα-helixtrans-60.4-42.2177.500000113.1S403 L404 K411S403-A407 WeakPolarHBondContact O-CB 3.48Å; S403-A407 PolarHBondContact O-N 3.23Å; L404-A407 PolarHBondContact O-N 3.41Å; A407-K411 WeakPolarHBondContact O-CB 3.34Å; A407-K411 PolarHBondContact O-N 2.91Å
408D59.9Low60.3Low99 Ų99116.2 Ų116.253%0.52959%0.594SS.*Hα-helixtrans-70.9-34.9175.6-87.7-16.9000112.5L404 I406 K411 Y412L404-D408 PolarHBondContact O-N 3.1Å; I406-D408 PolarHBondContact O-N 3.36Å; D408-K411 PolarHBondContact O-N 3.33Å; D408-Y412 PolarHBondContact O-N 3.05Å; D408-Y412 VanDerWaalsContact O-N 3.16Å
409Q53Low58.5Low113 Ų113117.5 Ų117.553%0.52860%0.603SS.*Hα-helixtrans-65.7-40.7173.8-76.9-177.4-15.700112.5R405 I406 K411 Y412 I413R405-Q409 WeakPolarHBondContact O-CB 3.37Å; R405-Q409 WeakPolarHBondContact O-CG 3.34Å; R405-Q409 PolarHBondContact O-N 3.27Å; R405-Q409 VanDerWaalsContact O-N 3.1Å; I406-Q409 PolarHBondContact O-N 3.48Å; Q409-K411 VanDerWaalsContact C-N 3.31Å; Q409-K411 PolarHBondContact O-N 3.17Å; Q409-Y412 PolarHBondContact O-N 2.84Å; Q409-I413 WeakPolarHBondContact O-CG1 3.4Å
410Q53.4Low56.5Low133 Ų133120.4 Ų120.462%0.62161%0.611SS**Hα-helixtrans-61.3-41.1176.3-14195.627.400111.5I406 I413I406-Q410 PolarHBondContact O-N 3.4Å; Q410-I413 PolarHBondContact O-N 3.49Å
411K60.7Low54.7Low145 Ų145121.7 Ų121.763%0.6362%0.622SS**Hα-helixtrans-73.1-28.9-176.3-164.3179.2-178.4-177.60113.8A407 D408 Q409 T415A407-K411 WeakPolarHBondContact O-CB 3.34Å; A407-K411 PolarHBondContact O-N 2.91Å; D408-K411 PolarHBondContact O-N 3.33Å; Q409-K411 VanDerWaalsContact C-N 3.31Å; Q409-K411 PolarHBondContact O-N 3.17Å; K411-T415 PolarHBondContact O-OG1 3.38Å; K411-T415 VanDerWaalsContact O-OG1 3.11Å
412Y47.4Very low53Low173 Ų173123.7 Ų123.768%0.67863%0.633SS**Hα-helixtrans-74.1-24.1175.2-103.8-86.5000113.5D408 Q409D408-Y412 PolarHBondContact O-N 3.05Å; D408-Y412 VanDerWaalsContact O-N 3.16Å; Q409-Y412 PolarHBondContact O-N 2.84Å
413I47.7Very low51.1Low143 Ų143130 Ų13073%0.73366%0.662SS**Hα-helixtrans-78-29.3-178.6-67.6168.4000112.1Q409 Q410Q409-I413 WeakPolarHBondContact O-CG1 3.4Å; Q410-I413 PolarHBondContact O-N 3.49Å
414E46.8Very low49.3Very low177 Ų177132.4 Ų132.483%0.82767%0.673SS**SBendtrans-82-7-179.4-69.3-168.2145.100115.1
415T48.3Very low47.4Very low100 Ų100134.1 Ų134.161%0.61368%0.683SS**SBendtrans-116.1-2.1-166.344.60000116.7K411K411-T415 PolarHBondContact O-OG1 3.38Å; K411-T415 VanDerWaalsContact O-OG1 3.11Å
416V41.4Very low45.5Very low124 Ų124133.8 Ų133.875%0.75270%0.697SS**  trans-106.552.1-175.8-1650000112.4
417N37.5Very low43.7Very low153 Ų153137.2 Ų137.282%0.81871%0.713SS**  trans-138140.4168.5-143.6-11.4000108.8
418V41.3Very low41.8Very low125 Ų125139.1 Ų139.176%0.75872%0.722SS**SBendtrans88.190.6-174.2-168.10000117.2
419D38.2Very low40.4Very low119 Ų119140.1 Ų140.164%0.63673%0.731SS**  trans42.2112.9133.2-72.8-58.3000123.9
420K35.9Very low39.2Very low163 Ų163139.8 Ų139.871%0.70974%0.739SS**  51118120.1-58.1-176.3-174.596.30120.6
421N39.2Very low38.1Very low145 Ų145141.4 Ų141.478%0.77575%0.746SS**  135.7145.1125.7-67.1-44.9000115.6
422N37.3Very low36.7Very low151 Ų151140.5 Ų140.581%0.80775%0.753SS**  trans82.291.7160.1-60.7-7.2000120.5
423E33.1Very low35.9Very low176 Ų176139.5 Ų139.582%0.82276%0.759SS**  trans-3.9130.3136.6-52.5173.9149.900118.6
424T36.6Very low35.1Very low127 Ų127138 Ų13878%0.77976%0.761SS**  170.9143.6105.534.50000113.1
425N32.3Very low34.4Very low151 Ų151135.4 Ų135.481%0.80776%0.757SS**  trans56.998.9160.2-66.9-24.6000119.8
426V31.2Very low34Very low142 Ų142137 Ų13786%0.86177%0.766SS**  176.9123.395160.30000109.6
427M28.6Very low33.9Very low166 Ų166138 Ų13882%0.81877%0.768SS**  trans-69.9149.7172.7-76.5-103.5-78.200111.1
428C28.2Very low34Very low96 Ų96138.4 Ų138.465%0.64977%0.77SS**  cis-148.716912.3-87.50000108.5
429T30.2Very low34.1Very low120 Ų120140.7 Ų140.774%0.73677%0.772SS**  cis-163119.2-20.426.10000107.3
430P28.6Very low34.1Very low106 Ų106141.6 Ų141.669%0.68877%0.773SS**  trans-116.5-167.3179.639.5-29.2000113.6
431H28.8Very low34.7Very low168 Ų168137.2 Ų137.278%0.77876%0.76SS**  trans93.2143.5165.2-57.6-36.4000117.8
432T32.9Very low35Very low125 Ų125133.4 Ų133.477%0.76775%0.749SS**  cis-160.3154.20.96.30000113.9
433N29.2Very low35.6Very low152 Ų152129.8 Ų129.881%0.81374%0.735SS**  trans-90.2-174161.5-72.4-27.9000112
434C30.9Very low36.5Very low112 Ų112124.4 Ų124.476%0.75771%0.711SS**  trans95.4111.7163.3-61.10000116.1
435T33.2Very low37.7Very low123 Ų123121 Ų12176%0.75569%0.693SS**  81.6127.459.860.20000115.3
436T40Very low39.3Very low132 Ų132123.3 Ų123.381%0.8169%0.69SS**  trans-173.4110.7145.411.40000113.6
437D39.3Very low40.7Very low146 Ų146121.5 Ų121.578%0.78168%0.675SS**  trans48.4103.4132.7-54.1-18.6000123.8
438N39.1Very low42.7Very low161 Ų161119.9 Ų119.986%0.86166%0.66SS**  11.3106.7128.2-65-26.4000119.9
439Q43.2Very low44.6Very low174 Ų174120.6 Ų120.681%0.81366%0.657SS**  trans-123.6118133.2-101.6-177.9-10.900108.2T441Q439-T441 VanDerWaalsContact C-N 3.29Å; Q439-T441 PolarHBondContact O-N 2.79Å
440E37.5Very low46.7Very low137 Ų137119.2 Ų119.264%0.6465%0.645SS**  trans-65.891170.5-88.6-168135.500108.9R448E440-R448 IonicContact OE1-CZ 3.69Å; E440-R448 IonicContact OE1-NH1 3.38Å; E440-R448 PolarHBondContact OE1-NH1 3.05Å; E440-R448 IonicContact OE1-NH2 3.84Å; E440-R448 PolarHBondContact OE1-NH2 3.28Å; E440-R448 VanDerWaalsContact OE1-NH2 3.12Å
441T48.8Very low48.8Very low71 Ų71121.3 Ų121.344%0.43664%0.64SS.*  trans-65.7151172.251.70000109.9Q439 S443 I444Q439-T441 VanDerWaalsContact C-N 3.29Å; Q439-T441 PolarHBondContact O-N 2.79Å; T441-S443 PolarHBondContact O-N 2.78Å; T441-I444 PolarHBondContact O-N 3.38Å
442A46.8Very low50.9Low66 Ų66117.2 Ų117.255%0.54562%0.624SS.*Hα-helixtrans-55.7-18.117600000113.4S445 R446A442-S445 WeakPolarHBondContact CA-OG 3.49Å; A442-S445 PolarHBondContact O-OG 3.15Å; A442-R446 WeakPolarHBondContact O-CB 3.37Å; A442-R446 VanDerWaalsContact O-CG 3.3Å; A442-R446 WeakPolarHBondContact O-CG 3.02Å; A442-R446 PolarHBondContact O-N 3.46Å
443S48.8Very low53Low74 Ų74115.9 Ų115.952%0.51761%0.612SS.*Hα-helixtrans-62.5-37.6169.3-46.30000113.4T441 R446 L447T441-S443 PolarHBondContact O-N 2.78Å; S443-R446 PolarHBondContact O-N 2.85Å; S443-L447 WeakPolarHBondContact O-CB 3.49Å; S443-L447 PolarHBondContact O-N 2.65Å
444I52.5Low55Low64 Ų64113.2 Ų113.233%0.32860%0.596SS.*Hα-helixtrans-74.4-41.6178.9-66.4173.6000110.6T441 R446 L447 R448T441-I444 PolarHBondContact O-N 3.38Å; I444-R446 VanDerWaalsContact C-N 3.31Å; I444-R446 PolarHBondContact O-N 2.99Å; I444-L447 PolarHBondContact O-N 2.87Å; I444-R448 WeakPolarHBondContact O-CB 3.39Å; I444-R448 PolarHBondContact O-N 3.03Å
445S62.2Low57.1Low56 Ų56111.4 Ų111.439%0.39258%0.577SS.*Hα-helixtrans-64.8-35.3171.151.70000112.2A442 R448 N449A442-S445 WeakPolarHBondContact CA-OG 3.49Å; A442-S445 PolarHBondContact O-OG 3.15Å; S445-R448 PolarHBondContact O-N 2.72Å; S445-N449 WeakPolarHBondContact O-CB 3.5Å; S445-N449 VanDerWaalsContact O-CG 3.26Å; S445-N449 PolarHBondContact O-N 3.08Å; S445-N449 PolarHBondContact O-OD1 3.21Å
446R64.7Low59.2Low198 Ų198108.5 Ų108.575%0.74756%0.557SS**Hα-helixtrans-67.6-38.3171.4-79.9177.3177.2-176.2-1.2112.4A442 S443 I444 L450A442-R446 WeakPolarHBondContact O-CB 3.37Å; A442-R446 VanDerWaalsContact O-CG 3.3Å; A442-R446 WeakPolarHBondContact O-CG 3.02Å; A442-R446 PolarHBondContact O-N 3.46Å; S443-R446 PolarHBondContact O-N 2.85Å; I444-R446 VanDerWaalsContact C-N 3.31Å; I444-R446 PolarHBondContact O-N 2.99Å; R446-L450 WeakPolarHBondContact O-CB 3.47Å; R446-L450 PolarHBondContact O-N 2.9Å
447L62Low60.6Low105 Ų105106.6 Ų106.655%0.5554%0.541SS..Hα-helixtrans-68.3-36.5174.1-94.8157.1000112.3S443 I444 L450 Y451S443-L447 WeakPolarHBondContact O-CB 3.49Å; S443-L447 PolarHBondContact O-N 2.65Å; I444-L447 PolarHBondContact O-N 2.87Å; L447-L450 PolarHBondContact O-N 3.06Å; L447-Y451 WeakPolarHBondContact O-CB 3.35Å; L447-Y451 PolarHBondContact O-N 3.14Å
448R69.3Low62.2Low132 Ų132104.1 Ų104.150%0.49853%0.526SS..Hα-helixtrans-65.5-52.1173-164.7176.4-72.21381.6110E440 I444 S445 L450 Y451 D452E440-R448 IonicContact OE1-CZ 3.69Å; E440-R448 IonicContact OE1-NH1 3.38Å; E440-R448 PolarHBondContact OE1-NH1 3.05Å; E440-R448 IonicContact OE1-NH2 3.84Å; E440-R448 PolarHBondContact OE1-NH2 3.28Å; E440-R448 VanDerWaalsContact OE1-NH2 3.12Å; I444-R448 WeakPolarHBondContact O-CB 3.39Å; I444-R448 PolarHBondContact O-N 3.03Å; S445-R448 PolarHBondContact O-N 2.72Å; R448-L450 VanDerWaalsContact C-N 3.29Å; R448-L450 PolarHBondContact O-N 3.41Å; R448-Y451 CarbonylContact O-C 3.43Å; R448-Y451 WeakPolarHBondContact O-CB 3.43Å; R448-Y451 PolarHBondContact O-N 2.86Å; R448-Y451 VanDerWaalsContact O-N 3.08Å; R448-D452 WeakPolarHBondContact O-CB 3.47Å; R448-D452 PolarHBondContact O-N 3.34Å
449N69.3Low63.8Low110 Ų110100.6 Ų100.659%0.58851%0.507SS*.Hα-helixtrans-60-35.2174.6-68.810.2000113.5S445 L453S445-N449 WeakPolarHBondContact O-CB 3.5Å; S445-N449 VanDerWaalsContact O-CG 3.26Å; S445-N449 PolarHBondContact O-N 3.08Å; S445-N449 PolarHBondContact O-OD1 3.21Å; N449-L453 WeakPolarHBondContact O-CB 3.37Å; N449-L453 PolarHBondContact O-N 2.68Å
450L73.4Confident65.3Low92 Ų9299.6 Ų99.648%0.48250%0.495SS..Hα-helixtrans-72.4-37.9175.7-174.170.5000111.2R446 L447 R448 L453 I454R446-L450 WeakPolarHBondContact O-CB 3.47Å; R446-L450 PolarHBondContact O-N 2.9Å; L447-L450 PolarHBondContact O-N 3.06Å; R448-L450 VanDerWaalsContact C-N 3.29Å; R448-L450 PolarHBondContact O-N 3.41Å; L450-L453 PolarHBondContact O-N 2.73Å; L450-I454 HydrophobicContact CD1-CD1 4.45Å; L450-I454 HydrophobicContact CD2-CD1 4.5Å; L450-I454 HydrophobicContact CG-CD1 3.94Å; L450-I454 WeakPolarHBondContact O-CB 3.13Å; L450-I454 WeakPolarHBondContact O-CD1 3.25Å; L450-I454 WeakPolarHBondContact O-CG1 3.16Å; L450-I454 PolarHBondContact O-N 3.4Å
451Y71.9Confident66.8Low150 Ų15098.1 Ų98.159%0.58849%0.491SS*.Hα-helixtrans-65.1-47.1173.6-179.7-93.3000110.9L447 R448 L453 I454 H455L447-Y451 WeakPolarHBondContact O-CB 3.35Å; L447-Y451 PolarHBondContact O-N 3.14Å; R448-Y451 CarbonylContact O-C 3.43Å; R448-Y451 WeakPolarHBondContact O-CB 3.43Å; R448-Y451 PolarHBondContact O-N 2.86Å; R448-Y451 VanDerWaalsContact O-N 3.08Å; Y451-L453 VanDerWaalsContact C-N 3.31Å; Y451-L453 PolarHBondContact O-N 3.5Å; Y451-I454 CarbonylContact O-C 3.59Å; Y451-I454 PolarHBondContact O-N 3.42Å; Y451-H455 VanDerWaalsContact O-CB 3.27Å; Y451-H455 WeakPolarHBondContact O-CB 3.48Å; Y451-H455 PolarHBondContact O-N 3.21Å
452D73.4Confident67.8Low81 Ų8198.7 Ų98.743%0.43349%0.492SS..Hα-helixtrans-61.6-40.3176.1-58.9-25.7000110.7R448 H455 D456R448-D452 WeakPolarHBondContact O-CB 3.47Å; R448-D452 PolarHBondContact O-N 3.34Å; D452-H455 PolarHBondContact O-N 2.8Å; D452-D456 VanDerWaalsContact O-CB 3.32Å; D452-D456 WeakPolarHBondContact O-CB 3.24Å; D452-D456 PolarHBondContact O-N 3.26Å
453L77.9Confident68.8Low97 Ų97100.6 Ų100.651%0.50849%0.493SS..Hα-helixtrans-67-40.2174.1-175.669.6000112.7N449 L450 Y451 H455 L457N449-L453 WeakPolarHBondContact O-CB 3.37Å; N449-L453 PolarHBondContact O-N 2.68Å; L450-L453 PolarHBondContact O-N 2.73Å; Y451-L453 VanDerWaalsContact C-N 3.31Å; Y451-L453 PolarHBondContact O-N 3.5Å; L453-H455 VanDerWaalsContact C-N 3.34Å; L453-L457 HydrophobicContact CG-CD1 4.21Å; L453-L457 VanDerWaalsContact O-CB 3.25Å; L453-L457 WeakPolarHBondContact O-CB 3.35Å; L453-L457 WeakPolarHBondContact O-CG 3.29Å; L453-L457 PolarHBondContact O-N 2.91Å
454I71.1Confident69.7Low96 Ų96100.7 Ų100.749%0.49249%0.49SS..Hα-helixtrans-67.3-37.6174.7-73.6166.4000110.2L450 Y451 L457 M458L450-I454 HydrophobicContact CD1-CD1 4.45Å; L450-I454 HydrophobicContact CD2-CD1 4.5Å; L450-I454 HydrophobicContact CG-CD1 3.94Å; L450-I454 WeakPolarHBondContact O-CB 3.13Å; L450-I454 WeakPolarHBondContact O-CD1 3.25Å; L450-I454 WeakPolarHBondContact O-CG1 3.16Å; L450-I454 PolarHBondContact O-N 3.4Å; Y451-I454 CarbonylContact O-C 3.59Å; Y451-I454 PolarHBondContact O-N 3.42Å; I454-L457 PolarHBondContact O-N 2.81Å; I454-M458 WeakPolarHBondContact O-CB 3.23Å; I454-M458 PolarHBondContact O-N 2.86Å
455H75.3Confident70.5Confident74 Ų74104.9 Ų104.934%0.34350%0.502SS..Hα-helixtrans-71.2-39.5178.4-162.7-47.4000111.4Y451 D452 L453 M458 L459Y451-H455 VanDerWaalsContact O-CB 3.27Å; Y451-H455 WeakPolarHBondContact O-CB 3.48Å; Y451-H455 PolarHBondContact O-N 3.21Å; D452-H455 PolarHBondContact O-N 2.8Å; L453-H455 VanDerWaalsContact C-N 3.34Å; H455-M458 PolarHBondContact O-N 3.47Å; H455-L459 WeakPolarHBondContact ND1-CD1 3.41Å; H455-L459 WeakPolarHBondContact O-CB 3.43Å; H455-L459 VanDerWaalsContact O-CG 3.31Å; H455-L459 WeakPolarHBondContact O-CG 3.49Å; H455-L459 PolarHBondContact O-N 3Å
456D76.2Confident70.6Confident63 Ų63109 Ų10934%0.33751%0.513SS..Hα-helixtrans-68.9-39.1173-166.963.7000111.3D452 L459 R460D452-D456 VanDerWaalsContact O-CB 3.32Å; D452-D456 WeakPolarHBondContact O-CB 3.24Å; D452-D456 PolarHBondContact O-N 3.26Å; D456-L459 PolarHBondContact O-N 3.29Å; D456-R460 WeakPolarHBondContact O-CB 3.37Å; D456-R460 VanDerWaalsContact O-CG 3.23Å; D456-R460 WeakPolarHBondContact O-CG 3.23Å; D456-R460 PolarHBondContact O-N 3.45Å; D456-R460 IonicContact OD2-CZ 3.84Å; D456-R460 IonicContact OD2-NE 3.76Å; D456-R460 PolarHBondContact OD2-NE 3.37Å; D456-R460 IonicContact OD2-NH2 3.24Å; D456-R460 PolarHBondContact OD2-NH2 3.36Å
457L70.3Confident70.6Confident92 Ų92103.5 Ų103.548%0.48250%0.501SS..Hα-helixtrans-63-39.3170.1-86163.5000112.4L453 I454 R460 L461L453-L457 HydrophobicContact CG-CD1 4.21Å; L453-L457 VanDerWaalsContact O-CB 3.25Å; L453-L457 WeakPolarHBondContact O-CB 3.35Å; L453-L457 WeakPolarHBondContact O-CG 3.29Å; L453-L457 PolarHBondContact O-N 2.91Å; I454-L457 PolarHBondContact O-N 2.81Å; L457-R460 PolarHBondContact O-N 3.31Å; L457-L461 WeakPolarHBondContact O-CB 3.47Å; L457-L461 PolarHBondContact O-N 2.82Å
458M72.3Confident70.7Confident94 Ų94104.4 Ų104.446%0.46350%0.502SS..Hα-helixtrans-69.9-39.6177.9-175-1806900111.5I454 H455 L461 N462I454-M458 WeakPolarHBondContact O-CB 3.23Å; I454-M458 PolarHBondContact O-N 2.86Å; H455-M458 PolarHBondContact O-N 3.47Å; M458-L461 PolarHBondContact O-N 2.8Å; M458-N462 WeakPolarHBondContact O-CB 3.14Å; M458-N462 VanDerWaalsContact O-CG 3.31Å; M458-N462 PolarHBondContact O-N 3.23Å; M458-N462 PolarHBondContact O-ND2 3.18Å
459L73.6Confident70.2Confident87 Ų87104.6 Ų104.646%0.45551%0.509SS..Hα-helixtrans-60.5-49.2170.7-76.5165.6000110.6H455 D456 L461 N462 D463H455-L459 WeakPolarHBondContact ND1-CD1 3.41Å; H455-L459 WeakPolarHBondContact O-CB 3.43Å; H455-L459 VanDerWaalsContact O-CG 3.31Å; H455-L459 WeakPolarHBondContact O-CG 3.49Å; H455-L459 PolarHBondContact O-N 3Å; D456-L459 PolarHBondContact O-N 3.29Å; L459-L461 VanDerWaalsContact C-N 3.31Å; L459-L461 PolarHBondContact O-N 3.37Å; L459-N462 CarbonylContact O-C 3.56Å; L459-N462 WeakPolarHBondContact O-CA 3.4Å; L459-N462 WeakPolarHBondContact O-CB 3.49Å; L459-N462 PolarHBondContact O-N 3.48Å; L459-N462 VanDerWaalsContact O-N 3.09Å; L459-D463 PolarHBondContact O-N 2.87Å
460R73.2Confident69.9Low152 Ų152101.8 Ų101.857%0.57450%0.498SS*.Hα-helixtrans-61.6-35.1174.6-68.4173.3-161.7-137.77.5113.1D456 L457 D463 V464D456-R460 WeakPolarHBondContact O-CB 3.37Å; D456-R460 VanDerWaalsContact O-CG 3.23Å; D456-R460 WeakPolarHBondContact O-CG 3.23Å; D456-R460 PolarHBondContact O-N 3.45Å; D456-R460 IonicContact OD2-CZ 3.84Å; D456-R460 IonicContact OD2-NE 3.76Å; D456-R460 PolarHBondContact OD2-NE 3.37Å; D456-R460 IonicContact OD2-NH2 3.24Å; D456-R460 PolarHBondContact OD2-NH2 3.36Å; L457-R460 PolarHBondContact O-N 3.31Å; R460-D463 PolarHBondContact O-N 2.8Å; R460-V464 WeakPolarHBondContact O-CB 3.49Å; R460-V464 VanDerWaalsContact O-CG2 3.28Å; R460-V464 WeakPolarHBondContact O-CG2 3.2Å; R460-V464 PolarHBondContact O-N 3.03Å
461L69.8Low69.1Low106 Ų106100.5 Ų100.556%0.55549%0.494SS*.Hα-helixtrans-70.4-32.6174.5-110151.9000112.2L457 M458 L459 R465L457-L461 WeakPolarHBondContact O-CB 3.47Å; L457-L461 PolarHBondContact O-N 2.82Å; M458-L461 PolarHBondContact O-N 2.8Å; L459-L461 VanDerWaalsContact C-N 3.31Å; L459-L461 PolarHBondContact O-N 3.37Å; L461-R465 WeakPolarHBondContact O-CB 3.23Å; L461-R465 PolarHBondContact O-N 3.04Å
462N69.3Low68.9Low84 Ų8496.9 Ų96.945%0.44949%0.487SS..Hα-helixtrans-71.5-39.3171.3-73.6-24.1000111.3M458 L459 R465 F466M458-N462 WeakPolarHBondContact O-CB 3.14Å; M458-N462 VanDerWaalsContact O-CG 3.31Å; M458-N462 PolarHBondContact O-N 3.23Å; M458-N462 PolarHBondContact O-ND2 3.18Å; L459-N462 CarbonylContact O-C 3.56Å; L459-N462 WeakPolarHBondContact O-CA 3.4Å; L459-N462 WeakPolarHBondContact O-CB 3.49Å; L459-N462 PolarHBondContact O-N 3.48Å; L459-N462 VanDerWaalsContact O-N 3.09Å; N462-R465 CarbonylContact O-C 3.54Å; N462-R465 PolarHBondContact O-N 3.36Å; N462-F466 VanDerWaalsContact O-CB 3.25Å; N462-F466 WeakPolarHBondContact O-CB 3.32Å; N462-F466 PolarHBondContact O-N 3.16Å
463D68.3Low68.2Low105 Ų10596.2 Ų96.256%0.56148%0.481SS*.Hα-helixtrans-62.1-41.7170.2-77.4-17.7000111.9L459 R460 F466 T467L459-D463 PolarHBondContact O-N 2.87Å; R460-D463 PolarHBondContact O-N 2.8Å; D463-F466 PolarHBondContact O-N 3.39Å; D463-T467 WeakPolarHBondContact O-CB 3.35Å; D463-T467 WeakPolarHBondContact O-CG2 3.13Å; D463-T467 PolarHBondContact O-N 3.48Å; D463-T467 PolarHBondContact O-OG1 3.32Å
464V67.7Low67.4Low76 Ų7696.7 Ų96.746%0.46148%0.482SS..Hα-helixtrans-66.9-39174.6168.50000111.2R460 T467 Q468R460-V464 WeakPolarHBondContact O-CB 3.49Å; R460-V464 VanDerWaalsContact O-CG2 3.28Å; R460-V464 WeakPolarHBondContact O-CG2 3.2Å; R460-V464 PolarHBondContact O-N 3.03Å; V464-T467 WeakPolarHBondContact CA-OG1 3.32Å; V464-T467 PolarHBondContact O-OG1 2.85Å; V464-Q468 VanDerWaalsContact O-CB 3.3Å; V464-Q468 WeakPolarHBondContact O-CB 3.22Å; V464-Q468 WeakPolarHBondContact O-CG 3.2Å; V464-Q468 PolarHBondContact O-N 3.45Å
465R68.7Low66.7Low153 Ų15396.2 Ų96.258%0.57748%0.48SS*.Hα-helixtrans-67.6-38.7172.7-88.4-175.6142.5-154.7-5.3112.3L461 N462 Q468 H469L461-R465 WeakPolarHBondContact O-CB 3.23Å; L461-R465 PolarHBondContact O-N 3.04Å; N462-R465 CarbonylContact O-C 3.54Å; N462-R465 PolarHBondContact O-N 3.36Å; R465-Q468 PolarHBondContact O-N 2.78Å; R465-H469 WeakPolarHBondContact O-CB 3.22Å; R465-H469 PolarHBondContact O-N 3.35Å
466F65.6Low65.5Low143 Ų14397.3 Ų97.363%0.62749%0.488SS*.Hα-helixtrans-69.3-42.1178-175.4-94.8000110.9N462 D463 H469 S470N462-F466 VanDerWaalsContact O-CB 3.25Å; N462-F466 WeakPolarHBondContact O-CB 3.32Å; N462-F466 PolarHBondContact O-N 3.16Å; D463-F466 PolarHBondContact O-N 3.39Å; F466-H469 PolarHBondContact O-N 2.88Å; F466-S470 VanDerWaalsContact O-CB 3.23Å; F466-S470 WeakPolarHBondContact O-CB 3.16Å; F466-S470 PolarHBondContact O-N 2.83Å
467T63.9Low64.2Low81 Ų81100.9 Ų100.950%0.49750%0.497SS..Hα-helixtrans-68.2-36.2171.847.80000112.1D463 V464 S470 V471D463-T467 WeakPolarHBondContact O-CB 3.35Å; D463-T467 WeakPolarHBondContact O-CG2 3.13Å; D463-T467 PolarHBondContact O-N 3.48Å; D463-T467 PolarHBondContact O-OG1 3.32Å; V464-T467 WeakPolarHBondContact CA-OG1 3.32Å; V464-T467 PolarHBondContact O-OG1 2.85Å; T467-S470 PolarHBondContact O-N 3.37Å; T467-V471 VanDerWaalsContact O-CB 3.27Å; T467-V471 WeakPolarHBondContact O-CB 3.26Å; T467-V471 WeakPolarHBondContact O-CG2 3.29Å; T467-V471 PolarHBondContact O-N 2.78Å
468Q64.1Low63.2Low124 Ų12499.4 Ų99.458%0.57949%0.494SS*.Hα-helixtrans-61.9-44.4167.9-83.4-173.6-20.900111.8V464 R465 V471 V472V464-Q468 VanDerWaalsContact O-CB 3.3Å; V464-Q468 WeakPolarHBondContact O-CB 3.22Å; V464-Q468 WeakPolarHBondContact O-CG 3.2Å; V464-Q468 PolarHBondContact O-N 3.45Å; R465-Q468 PolarHBondContact O-N 2.78Å; Q468-V471 PolarHBondContact O-N 2.76Å; Q468-V472 WeakPolarHBondContact O-CB 3.45Å; Q468-V472 WeakPolarHBondContact O-CG2 3.36Å; Q468-V472 PolarHBondContact O-N 2.86Å
469H59.6Low61.6Low137 Ų137100 Ų10063%0.63450%0.499SS*.Hα-helixtrans-66.2-39177.8-123.6-78.7000111.8R465 F466 V472 E473R465-H469 WeakPolarHBondContact O-CB 3.22Å; R465-H469 PolarHBondContact O-N 3.35Å; F466-H469 PolarHBondContact O-N 2.88Å; H469-V472 PolarHBondContact O-N 3.44Å; H469-E473 WeakPolarHBondContact O-CB 3.41Å; H469-E473 PolarHBondContact O-N 3.18Å
470S61.6Low60.1Low51 Ų51100 Ų10036%0.35751%0.511SS..Hα-helixtrans-67.8-38.5175.2-175.80000111.6F466 T467 M474F466-S470 VanDerWaalsContact O-CB 3.23Å; F466-S470 WeakPolarHBondContact O-CB 3.16Å; F466-S470 PolarHBondContact O-N 2.83Å; T467-S470 PolarHBondContact O-N 3.37Å; S470-M474 WeakPolarHBondContact O-CA 3.31Å; S470-M474 WeakPolarHBondContact O-CB 3.42Å; S470-M474 PolarHBondContact O-N 2.81Å
471V57.8Low58.6Low65 Ų6596.7 Ų96.739%0.39452%0.516SS..Hα-helixtrans-68.5-39.5172.4168.20000111.1T467 Q468 M474 I475T467-V471 VanDerWaalsContact O-CB 3.27Å; T467-V471 WeakPolarHBondContact O-CB 3.26Å; T467-V471 WeakPolarHBondContact O-CG2 3.29Å; T467-V471 PolarHBondContact O-N 2.78Å; Q468-V471 PolarHBondContact O-N 2.76Å; V471-M474 HydrophobicContact CG2-CE 4.1Å; V471-M474 PolarHBondContact O-N 3.03Å; V471-I475 HydrophobicContact CG1-CD1 3.7Å; V471-I475 HydrophobicContact CG1-CG1 4.37Å; V471-I475 VanDerWaalsContact O-CB 3.25Å; V471-I475 WeakPolarHBondContact O-CB 3.36Å; V471-I475 WeakPolarHBondContact O-CD1 3.27Å; V471-I475 WeakPolarHBondContact O-CG1 3.49Å; V471-I475 PolarHBondContact O-N 3.15Å
472V66.5Low56.9Low73 Ų7395.8 Ų95.844%0.44252%0.515SS..Hα-helixtrans-68.3-40.5174.6169.30000111.3Q468 H469 I475 N476Q468-V472 WeakPolarHBondContact O-CB 3.45Å; Q468-V472 WeakPolarHBondContact O-CG2 3.36Å; Q468-V472 PolarHBondContact O-N 2.86Å; H469-V472 PolarHBondContact O-N 3.44Å; V472-I475 PolarHBondContact O-N 2.96Å; V472-N476 VanDerWaalsContact O-CB 3.23Å; V472-N476 WeakPolarHBondContact O-CB 3.41Å; V472-N476 PolarHBondContact O-N 2.85Å; V472-N476 PolarHBondContact O-ND2 3.43Å
473E60.3Low54.9Low68 Ų6899.4 Ų99.432%0.31853%0.534SS..Hα-helixtrans-68.9-37.2175-170.7-173171.300111.1H469 N476 R477 R979H469-E473 WeakPolarHBondContact O-CB 3.41Å; H469-E473 PolarHBondContact O-N 3.18Å; E473-N476 PolarHBondContact O-N 3.32Å; E473-R477 VanDerWaalsContact O-CB 3.29Å; E473-R477 WeakPolarHBondContact O-CB 3.48Å; E473-R477 WeakPolarHBondContact O-CG 3.35Å; E473-R477 PolarHBondContact O-N 2.78Å; E473-R477 IonicContact OE1-CZ 2.76Å; E473-R477 IonicContact OE1-NH1 4Å; E473-R477 PolarHBondContact OE1-NH1 2.85Å; E473-R477 IonicContact OE1-NH2 2.76Å; E473-R477 PolarHBondContact OE1-NH2 3.34Å; E473-R979 IonicContact OE1-NH2 2.98Å
474M60.3Low53.2Low107 Ų10799.7 Ų99.753%0.52754%0.535SS..Hα-helixtrans-68.8-40173.1175.9163.559.400111.6S470 V471 S478S470-M474 WeakPolarHBondContact O-CA 3.31Å; S470-M474 WeakPolarHBondContact O-CB 3.42Å; S470-M474 PolarHBondContact O-N 2.81Å; V471-M474 HydrophobicContact CG2-CE 4.1Å; V471-M474 PolarHBondContact O-N 3.03Å; M474-S478 WeakPolarHBondContact O-CB 3.26Å; M474-S478 PolarHBondContact O-N 3.38Å; M474-S478 PolarHBondContact O-OG 3.26Å
475I56.4Low51.3Low86 Ų86101.8 Ų101.844%0.44154%0.539SS..Hα-helixtrans-65.1-44.1172-74.1166.9000109.7V471 V472 S478 L479V471-I475 HydrophobicContact CG1-CD1 3.7Å; V471-I475 HydrophobicContact CG1-CG1 4.37Å; V471-I475 VanDerWaalsContact O-CB 3.25Å; V471-I475 WeakPolarHBondContact O-CB 3.36Å; V471-I475 WeakPolarHBondContact O-CD1 3.27Å; V471-I475 WeakPolarHBondContact O-CG1 3.49Å; V471-I475 PolarHBondContact O-N 3.15Å; V472-I475 PolarHBondContact O-N 2.96Å; I475-S478 CarbonylContact O-C 3.56Å; I475-S478 PolarHBondContact O-N 2.8Å; I475-L479 HydrophobicContact CG2-CD1 3.81Å; I475-L479 WeakPolarHBondContact O-CB 3.5Å; I475-L479 VanDerWaalsContact O-CD1 3.24Å; I475-L479 WeakPolarHBondContact O-CD1 3.36Å; I475-L479 PolarHBondContact O-N 2.84Å
476N50.6Low49.7Very low97 Ų97102.4 Ų102.452%0.51955%0.549SS..Hα-helixtrans-67.7-40178.3-71.8-18.6000112.2V472 E473 L479 A480V472-N476 VanDerWaalsContact O-CB 3.23Å; V472-N476 WeakPolarHBondContact O-CB 3.41Å; V472-N476 PolarHBondContact O-N 2.85Å; V472-N476 PolarHBondContact O-ND2 3.43Å; E473-N476 PolarHBondContact O-N 3.32Å; N476-L479 PolarHBondContact O-N 2.91Å; N476-A480 VanDerWaalsContact O-CB 3.25Å; N476-A480 WeakPolarHBondContact O-CB 3.43Å; N476-A480 PolarHBondContact O-N 3.27Å
477R48.7Very low48Very low138 Ų13899.1 Ų99.152%0.52154%0.543SS..Hα-helixtrans-67.7-35.6171.5-80-165.8176.5110.614111.9E473 A480 A481E473-R477 VanDerWaalsContact O-CB 3.29Å; E473-R477 WeakPolarHBondContact O-CB 3.48Å; E473-R477 WeakPolarHBondContact O-CG 3.35Å; E473-R477 PolarHBondContact O-N 2.78Å; E473-R477 IonicContact OE1-CZ 2.76Å; E473-R477 IonicContact OE1-NH1 4Å; E473-R477 PolarHBondContact OE1-NH1 2.85Å; E473-R477 IonicContact OE1-NH2 2.76Å; E473-R477 PolarHBondContact OE1-NH2 3.34Å; R477-A480 PolarHBondContact O-N 2.92Å; R477-A481 WeakPolarHBondContact O-CB 3.18Å; R477-A481 PolarHBondContact O-N 3.04Å
478S47.8Very low46.3Very low60 Ų60104.7 Ų104.742%0.4256%0.555SS.*Hα-helixtrans-69-40.6174.2-59.30000111.2M474 I475 A480 A481 V482M474-S478 WeakPolarHBondContact O-CB 3.26Å; M474-S478 PolarHBondContact O-N 3.38Å; M474-S478 PolarHBondContact O-OG 3.26Å; I475-S478 CarbonylContact O-C 3.56Å; I475-S478 PolarHBondContact O-N 2.8Å; S478-A480 VanDerWaalsContact C-N 3.3Å; S478-A480 PolarHBondContact O-N 3.38Å; S478-A481 PolarHBondContact O-N 3.31Å; S478-V482 WeakPolarHBondContact O-CB 3.13Å; S478-V482 VanDerWaalsContact O-CG2 3.25Å; S478-V482 WeakPolarHBondContact O-CG2 3.47Å; S478-V482 PolarHBondContact O-N 2.83Å
479L39.2Very low44.7Very low108 Ų108106.2 Ų106.257%0.56556%0.562SS**Hα-helixtrans-67.4-28.4171.9-96.980000112.8I475 N476I475-L479 HydrophobicContact CG2-CD1 3.81Å; I475-L479 WeakPolarHBondContact O-CB 3.5Å; I475-L479 VanDerWaalsContact O-CD1 3.24Å; I475-L479 WeakPolarHBondContact O-CD1 3.36Å; I475-L479 PolarHBondContact O-N 2.84Å; N476-L479 PolarHBondContact O-N 2.91Å
480A42.3Very low43.3Very low86 Ų86105.7 Ų105.771%0.71157%0.569SS**Hα-helixtrans-83.3-18.717500000113.6N476 R477 S478N476-A480 VanDerWaalsContact O-CB 3.25Å; N476-A480 WeakPolarHBondContact O-CB 3.43Å; N476-A480 PolarHBondContact O-N 3.27Å; R477-A480 PolarHBondContact O-N 2.92Å; S478-A480 VanDerWaalsContact C-N 3.3Å; S478-A480 PolarHBondContact O-N 3.38Å
481A41.5Very low41.9Very low83 Ų83108.1 Ų108.169%0.68659%0.585SS**Hα-helixtrans-101.3-14.9177.900000113.5R477 S478R477-A481 WeakPolarHBondContact O-CB 3.18Å; R477-A481 PolarHBondContact O-N 3.04Å; S478-A481 PolarHBondContact O-N 3.31Å
482V34.9Very low40.5Very low87 Ų87111.5 Ų111.553%0.52761%0.609SS.*SBendtrans-87.6107164.8176.90000107.3S478 I484S478-V482 WeakPolarHBondContact O-CB 3.13Å; S478-V482 VanDerWaalsContact O-CG2 3.25Å; S478-V482 WeakPolarHBondContact O-CG2 3.47Å; S478-V482 PolarHBondContact O-N 2.83Å; V482-I484 VanDerWaalsContact C-N 3.25Å; V482-I484 HydrophobicContact CB-CG1 4.4Å; V482-I484 HydrophobicContact CG1-CD1 4.41Å; V482-I484 HydrophobicContact CG1-CG1 3.68Å; V482-I484 PolarHBondContact O-N 2.96Å
483D28Very low38.6Very low160 Ų160115 Ų11586%0.85662%0.624SS**  trans-61.888.6166.8-91.7-45.3000109.3E485D483-E485 PolarHBondContact O-N 3.31Å
484I32Very low37.3Very low111 Ų111121.3 Ų121.357%0.56965%0.645SS**  trans-7982.2169.2-58.5-176.9000107.4V482 H486V482-I484 VanDerWaalsContact C-N 3.25Å; V482-I484 HydrophobicContact CB-CG1 4.4Å; V482-I484 HydrophobicContact CG1-CD1 4.41Å; V482-I484 HydrophobicContact CG1-CG1 3.68Å; V482-I484 PolarHBondContact O-N 2.96Å; I484-H486 HydrophobicContact CG2-CB 3.86Å; I484-H486 PolarHBondContact O-N 2.67Å
485E27.8Very low35.7Very low119 Ų119126.9 Ų126.956%0.55667%0.666SS**  trans-6170153.3-72.7-172.4138.300109.4D483 T677D483-E485 PolarHBondContact O-N 3.31Å; E485-T677 WeakPolarHBondContact OE2-CG2 3.49Å
486H34.1Very low34.3Very low167 Ų167126 Ų12677%0.77367%0.672SS**  trans-138.3117.3162.8-88.674.9000110.7I484I484-H486 HydrophobicContact CG2-CB 3.86Å; I484-H486 PolarHBondContact O-N 2.67Å
487S30.3Very low33.2Very low74 Ų74127.7 Ų127.752%0.51768%0.679SS.*  trans-57147.9178.8600000114.2E489S487-E489 PolarHBondContact O-N 3.47Å
488R29.6Very low32.2Very low197 Ų197127.7 Ų127.774%0.74370%0.701SS**  trans-28.2114.9163.3-68.3173.1170.3162.3-0.5115.9
489E29.4Very low31.3Very low157 Ų157128.1 Ų128.173%0.73471%0.708SS**  trans-165.4135.4146.3-107.7172.6-148.100104.5S487S487-E489 PolarHBondContact O-N 3.47Å
490V30.8Very low30.7Very low126 Ų126129.1 Ų129.176%0.76472%0.724SS**  cis-146.3153.525.5-1770000110.7
491S31.3Very low30.1Very low101 Ų101128.7 Ų128.771%0.70673%0.728SS**  trans-66.4168.8173.6-49.90000113.7
492P29Very low29.5Very low137 Ų137128 Ų12889%0.8973%0.728SS**  trans-74.6134-160.830-34.7000113.8
493L27.5Very low29.3Very low145 Ų145131.2 Ų131.276%0.75974%0.742SS**  trans-112.6135.4176.1-113.7165.8000111
494R31.1Very low29.5Very low201 Ų201130.4 Ų130.476%0.75874%0.738SS**  trans73.967.3167.9-50.8-178.3-161.7-119.91.2117.8A496R494-A496 VanDerWaalsContact C-N 3.26Å
495K27.3Very low29.3Very low224 Ų224136.2 Ų136.297%0.97475%0.752SS**SBend-91.866.1129.8-158.1173.1-169.31750109.2
496A26.8Very low29.6Very low68 Ų68136 Ų13656%0.56276%0.762SS**  trans-157.9147.2177.700000110.7R494R494-A496 VanDerWaalsContact C-N 3.26Å
497I28.4Very low29.3Very low132 Ų132133.2 Ų133.268%0.67776%0.761SS**  trans74.957.1176.4-37.4179.1000114.4A499I497-A499 HydrophobicContact CG2-CB 3.86Å; I497-A499 PolarHBondContact O-N 2.99Å; I497-A499 VanDerWaalsContact O-N 3.16Å
498S26.4Very low29.2Very low138 Ų138134.6 Ų134.697%0.96577%0.77SS**  -6884.3129.7-62.30000108
499A29.1Very low29.1Very low69 Ų69132.4 Ų132.457%0.5777%0.774SS**  trans-153.1106.1164.400000109.3I497I497-A499 HydrophobicContact CG2-CB 3.86Å; I497-A499 PolarHBondContact O-N 2.99Å; I497-A499 VanDerWaalsContact O-N 3.16Å
500S27Very low29.1Very low129 Ų129132.4 Ų132.490%0.90278%0.777SS**  trans-36.4131.9160.249.80000113
501G29.5Very low28.8Very low78 Ų78132.8 Ų132.880%0.80477%0.773SS**  trans-166.80.5-174.700000121.6
502G29.6Very low28.7Very low67 Ų67134.1 Ų134.169%0.69178%0.779SS**  trans73.4152.3158.200000120.5
503L31.1Very low28.6Very low156 Ų156135.3 Ų135.382%0.81778%0.778SS**  trans60.3124.8142.6-49169.1000117.8
504D32.2Very low28.4Very low142 Ų142133.5 Ų133.576%0.75978%0.777SS**  cis-158.6166.33-104.1-38.2000112.1
505R28.4Very low28.2Very low233 Ų233131.3 Ų131.388%0.87978%0.779SS**  trans-49.4170.2162.7-102.5176.1165.2174.3-5.2113.5
506P33.1Very low28Very low115 Ų115125 Ų12575%0.74776%0.764SS**  cis-139179.417.229.8-5000118
507S27.1Very low28Very low108 Ų108129.3 Ų129.376%0.75577%0.765SS**  trans-53.7152.3171.654.20000117.9
508S29.2Very low28Very low103 Ų103128.6 Ų128.672%0.7277%0.768SS**  -173.2129.4108.358.90000113.4
509N27Very low27.9Very low152 Ų152129.7 Ų129.781%0.81376%0.762SS**  trans37.1117147.2-53.7-8.2000120.3
510I29.1Very low27.8Very low157 Ų157130.3 Ų130.381%0.80577%0.768SS**  -163108.4128.5-90.7141.2000109.3
511I25.2Very low27.9Very low133 Ų133131 Ų13168%0.68277%0.766SS**  trans15.2123.6137.9-49164.1000117.8L513I511-L513 HydrophobicContact CG2-CG 3.97Å
512P27.9Very low27.8Very low129 Ų129137.9 Ų137.984%0.83877%0.77SS**  trans-106.7133.6135.1-6.525.8000111.1
513L28.7Very low27.8Very low163 Ų163138.3 Ų138.385%0.85377%0.774SS**  trans-76.4144.2-174.9-75.2142.7000113.2I511I511-L513 HydrophobicContact CG2-CG 3.97Å
514S21.9Very low27.7Very low106 Ų106133.3 Ų133.374%0.74176%0.761SS**  trans-79.6128.5163.451.70000111.8
515L27.2Very low27.4Very low155 Ų155135.9 Ų135.981%0.81277%0.765SS**  trans-163.2101.2161.6-138.868.8000106.1
516S24Very low27.3Very low93 Ų93129.3 Ų129.365%0.6575%0.748SS**  68.4136.965.383.70000114.8
517R27.1Very low27.2Very low157 Ų157128.9 Ų128.959%0.59274%0.743SS**  trans83.4110.6-176.4-63.3179.6170.3162.6-4.3114.8P1158R517-P1158 PolarHBondContact NH2-O 3.39Å
518T27.2Very low27.2Very low118 Ų118130 Ų13072%0.72474%0.74SS**  83113.352.865.90000115.6
519N23.9Very low27.3Very low160 Ų160134.6 Ų134.686%0.85675%0.747SS**  trans46.9103.3145.1-62-4.7000121
520A28.2Very low27.5Very low83 Ų83133.7 Ų133.769%0.68674%0.738SS**  trans-15693.8145.800000108.7
521T28Very low27.5Very low142 Ų142132.3 Ų132.387%0.87173%0.732SS**  36.288.794.8-37.20000113.6
522Y28.3Very low27.7Very low224 Ų224133.2 Ų133.288%0.87874%0.735SS**  trans-101.792.5177.2-126.8-95.3000112.1
523G28.3Very low27.9Very low75 Ų75132.5 Ų132.577%0.77373%0.733SS**  trans-142.2112.616400000108.3
524G30.1Very low27.9Very low52 Ų52129.2 Ų129.254%0.53672%0.724SS.*  trans167.838.1-171.100000117.9N526G524-N526 PolarHBondContact O-N 2.96Å
525F25.4Very low28.1Very low196 Ų196129.7 Ų129.786%0.8673%0.728SS**THydrogen-bonded Turntrans-78.180.8161.9-107.7-85.4000109
526N27.3Very low28.1Very low95 Ų95130 Ų13051%0.50873%0.729SS.*THydrogen-bonded Turntrans-167.9-5.2159.7-98.9-10000115.5G524G524-N526 PolarHBondContact O-N 2.96Å
527T30.1Very low28.4Very low105 Ų105132.9 Ų132.964%0.64474%0.737SS**SBendtrans-106.16.5-175.644.50000116.2
528L27.4Very low28.6Very low133 Ų133132.5 Ų132.570%0.69675%0.746SS**SBendtrans-105.69.1-179.9-78.2174.5000115.8
529F31.3Very low28.8Very low198 Ų198132.7 Ų132.787%0.86875%0.75SS**SBendtrans-113.5-12.6174.4-138.7-94000115.3
530E31Very low29Very low134 Ų134130.8 Ų130.863%0.62674%0.744SS**SBendtrans-95.9-18.8174.9-65.2-157.9129.900114.1K1668E530-K1668 IonicContact OE2-NZ 2.7Å; E530-K1668 PolarHBondContact OE2-NZ 2.75Å
531N30.2Very low29.3Very low128 Ų128131.2 Ų131.268%0.68475%0.747SS**THydrogen-bonded Turntrans-104.715.5-175.6-78.8-26.4000116
532M29.1Very low29.5Very low151 Ų151129.2 Ų129.274%0.74474%0.739SS**THydrogen-bonded Turntrans-114.125.1167.1-83.9-170.5-77.200113
533S31.4Very low29.5Very low114 Ų114123.1 Ų123.180%0.79773%0.729SS**SBendtrans-142.341.2172.7-75.60000113
534S28.3Very low29.7Very low94 Ų94126.7 Ų126.766%0.65773%0.729SS**SBendtrans-140.5143.515563.30000110.7
535S26.8Very low29.8Very low117 Ų117134 Ų13482%0.81874%0.741SS**SBendtrans68.659.8172.7-164.40000120.1
536I27.5Very low29.9Very low162 Ų162130.5 Ų130.583%0.83173%0.732SS**  -13694.7120.8-55.9-176.4000108.5
537N30.1Very low29.9Very low153 Ų153133.3 Ų133.382%0.81875%0.747SS**  trans-177.778.8148.2-96.6-21.2000110.9
538N31.1Very low30Very low148 Ų148133.3 Ų133.379%0.79175%0.748SS**  trans-164.1133.9142.3-104.3-36.2000107.3
539P30.5Very low30Very low123 Ų123132.7 Ų132.780%0.79975%0.751SS**  -133.9121.890.832.1-18.5000114.5
540V29.6Very low29.7Very low120 Ų120127.6 Ų127.673%0.72774%0.74SS**  50.1109.8112.2-178.30000117.2
541A32.7Very low29.5Very low92 Ų92129.7 Ų129.776%0.7675%0.749SS**  trans-127.3117.5139.200000109.3
542S32.2Very low29.2Very low99 Ų99128.7 Ų128.769%0.69275%0.752SS**  trans1.5146.5136.256.30000117.7
543S29.1Very low29.4Very low96 Ų96128.9 Ų128.967%0.67176%0.755SS**  cis176.7-176.42.148.60000107.6
544I32.7Very low29.1Very low150 Ų150128.5 Ų128.577%0.76975%0.747SS**  trans82.695.6171.3-51.8156.4000112.2
545Y31.7Very low29.2Very low206 Ų206129.1 Ų129.181%0.80875%0.752SS**  77.8116.282.5-98.6-83.7000115.4
546D27.7Very low29.3Very low122 Ų122128.5 Ų128.565%0.65274%0.743SS**  trans26111.9144.8-52.9-13.6000119.9
547N28.4Very low29.4Very low155 Ų155129.1 Ų129.183%0.82974%0.743SS**  -177.4161.285.1-105.2-53.7000111.8
548P31.4Very low29.5Very low104 Ų104129.6 Ų129.668%0.67574%0.744SS**  trans-85.5-177.5-177.337-35.5000112.6
549T26.7Very low29.3Very low121 Ų121129.5 Ų129.574%0.74274%0.744SS**  trans113.4109.6155.1-35.20000115.2
550S25.2Very low29.3Very low91 Ų91131.4 Ų131.464%0.63674%0.742SS**  trans66.8150.4142.365.80000122.4
551E27.1Very low29.1Very low177 Ų177130.7 Ų130.783%0.82774%0.738SS**  trans71.4107.3160.5-69.2164.6-160.700115.7
552S25Very low28.9Very low107 Ų107132 Ų13275%0.74874%0.736SS**  60.8102.272.5177.70000112.7
553I31.5Very low28.9Very low156 Ų156131.9 Ų131.980%0.874%0.741SS**  -156.3133.3128.9-98.4142.6000109
554V26.1Very low29.2Very low105 Ų105134.8 Ų134.864%0.63674%0.744SS**  trans-79.7133.1172.2170.70000108.8T556V554-T556 HydrophobicContact CG1-CG2 3.78Å
555S30.5Very low29Very low108 Ų108133.9 Ų133.976%0.75574%0.74SS**  trans-144.874157.2-69.30000108.9
556T28.5Very low29Very low104 Ų104134.8 Ų134.864%0.63874%0.742SS**  -22.1130.6129.743.90000113.9V554V554-T556 HydrophobicContact CG1-CG2 3.78Å
557E28.7Very low29.1Very low175 Ų175139.1 Ų139.182%0.81876%0.756SS**  -178.7159.2120.3-97.3161.5-156.500110.9
558L33.1Very low29.1Very low163 Ų163135.4 Ų135.485%0.85375%0.754SS**  trans61.980.8173.1-61.3151.8000114.8
559N27.8Very low28.9Very low146 Ų146136.3 Ų136.378%0.78176%0.762SS**  cis71.4136.842.5-143.529.3000114.3
560E28.7Very low29Very low162 Ų162136.2 Ų136.276%0.75776%0.763SS**  trans80.893.3169.5-58.1-173.3159.600120.3
561T26.5Very low29Very low105 Ų105143.8 Ų143.864%0.64478%0.778SS**  trans58.891.9135.748.50000121.3
562V27.7Very low29Very low120 Ų120140.9 Ų140.973%0.72778%0.777SS**  trans-124.434.3141.9-165.20000111E564 L565V562-E564 PolarHBondContact O-N 3.27Å; V562-L565 HydrophobicContact CG1-CB 4.1Å; V562-L565 HydrophobicContact CG1-CD1 4.22Å; V562-L565 HydrophobicContact CG1-CG 4.47Å
563A33Very low29.3Very low97 Ų97140.8 Ų140.880%0.80277%0.773SS**SBendtrans-79.6-1.5168.900000113
564E34.5Very low29.1Very low156 Ų156140.3 Ų140.373%0.72978%0.778SS**SBendtrans-111.7-2.2-171.1-60.9-163.3143.200115V562V562-E564 PolarHBondContact O-N 3.27Å
565L29.6Very low29.3Very low131 Ų131140.5 Ų140.569%0.68678%0.783SS**SBendtrans-112.619.3-169.4-66.4-179.4000116.7V562V562-L565 HydrophobicContact CG1-CB 4.1Å; V562-L565 HydrophobicContact CG1-CD1 4.22Å; V562-L565 HydrophobicContact CG1-CG 4.47Å
566R31.8Very low29.1Very low226 Ų226141 Ų14185%0.85378%0.783SS**SBendtrans-12615.8170.9-72-166178-168.81.4116.3
567F30.5Very low29.1Very low212 Ų212142.9 Ų142.993%0.9379%0.789SS**  trans-109.9106.2162.3-88.8-84.3000110
568G28Very low29.1Very low77 Ų77141 Ų14179%0.79478%0.783SS**  trans-163.558.3-168.600000116.8
569C25.9Very low28.8Very low124 Ų124142.4 Ų142.484%0.83878%0.783SS**SBendtrans-141.8161.5158.3-118.70000108.5
570P29.5Very low28.6Very low119 Ų119141 Ų14177%0.77378%0.783SS**  -91.3166.3-117.1-10.429.1000117.1
571R25.7Very low28.5Very low250 Ų250139.2 Ų139.294%0.94378%0.783SS**  trans-95.4156177.9-80.9177.4163.7164.8-3.6113.4
572S25.7Very low28.4Very low115 Ų115139.4 Ų139.480%0.80479%0.789SS**  trans121.8145.8137.2-157.90000114.9
573P31.7Very low28.3Very low105 Ų105143.3 Ų143.368%0.68279%0.79SS**  cis-117.8141.30.436.7-22.9000115.2
574V26.9Very low28Very low147 Ų147144.7 Ų144.789%0.89178%0.78SS**  trans-120.6118.4156.8174.70000108.2T576V574-T576 PolarHBondContact O-N 2.89Å
575S30.3Very low27.7Very low108 Ų108145 Ų14576%0.75578%0.781SS**  trans-78.7112.5-170.6-54.70000113.1
576T27Very low27.6Very low120 Ų120143.6 Ų143.674%0.73678%0.783SS**  trans-24.4135.6161.150.70000118.5V574V574-T576 PolarHBondContact O-N 2.89Å
577N28.3Very low27.4Very low143 Ų143143 Ų14377%0.76578%0.782SS**  trans153.5135.7138.4-80.5-29.5000110.5
578L28.5Very low27.5Very low134 Ų134139.5 Ų139.570%0.70277%0.772SS**  cis-159.8135.52.3-99.6156000111.6
579K27.2Very low27.5Very low194 Ų194141.4 Ų141.484%0.84376%0.764SS**  trans52.3149.4141.7-72.5179.6-178.3178.40125.8
580C22.9Very low27.7Very low116 Ų116141.9 Ų141.978%0.78476%0.757SS**  trans-50.3166.7165.1-56.10000114.5
581T26.7Very low27.7Very low125 Ų125142.8 Ų142.877%0.76776%0.761SS**  -163.5139.257.248.30000116.4
582S25.1Very low28Very low109 Ų109140.4 Ų140.476%0.76276%0.757SS**  trans25.5139.2139.671.10000124.6
583R25.8Very low28.3Very low202 Ų202140.3 Ų140.376%0.76275%0.754SS**  101.1121.4129.3-156.8167.8-179153.712.8121.1
584E26.4Very low28.2Very low125 Ų125143 Ų14358%0.58476%0.761SS**  trans71.3131.9145.7-77.3163.8-165.200125.7
585H29Very low28.3Very low162 Ų162141.1 Ų141.175%0.7576%0.755SS**  trans73.5126.5139.3-68.3-54.7000126.8
586S27.1Very low28.2Very low103 Ų103146.6 Ų146.672%0.7276%0.759SS**  trans64.6113135.4640000124.7
587Y27.7Very low28.2Very low212 Ų212146.9 Ų146.983%0.83176%0.756SS**  27.2112.5113.1-121.6-80.8000119.3
588L32.1Very low28.3Very low139 Ų139148.9 Ų148.973%0.72876%0.761SS**  173.8138.8112.2-115.297.9000114.3
589D28.2Very low28.2Very low118 Ų118147.1 Ų147.163%0.63177%0.765SS**  trans49.4121.2140.5-70.9-1.2000128.1
590I29.6Very low28.3Very low134 Ų134147.2 Ų147.269%0.68777%0.771SS**  56.3107.1123.9-44.7162.3000120.4
591T29.9Very low28.5Very low138 Ų138148.9 Ų148.985%0.84777%0.772SS**  171.6152.5114.232.40000113.2
592K31.3Very low28.7Very low200 Ų200152.3 Ų152.387%0.8778%0.777SS**  trans-85.7173.3167.5-67-179.7176.2175.60110
593P33.3Very low28.8Very low113 Ų113151.7 Ų151.773%0.73478%0.778SS**  cis-140.4-173.112.541.4-20.6000117.2
594L28.2Very low28.9Very low160 Ų160146.9 Ų146.984%0.83878%0.781SS**  trans2.6128.7161.4-81.875.9000118
595S29.6Very low29Very low108 Ų108149 Ų14976%0.75580%0.795SS**  174.1162.568.346.50000113.4
596R27.6Very low29Very low223 Ų223152.7 Ų152.784%0.84280%0.802SS**  trans65.1122.1156.5-103.4-173170.8136.3-1.2121.4
597N27.6Very low29Very low126 Ų126155 Ų15567%0.67481%0.807SS**  trans81.8134.4141.3-66.1-7000121.5
598Q31.1Very low28.8Very low185 Ų185152.8 Ų152.886%0.86481%0.807SS**  trans70.496.9148.1-72171.7-1900120
599A25.9Very low28.7Very low97 Ų97150.9 Ų150.980%0.80281%0.806SS**  trans3.5125.4141.200000119.8
600M28.5Very low28.5Very low196 Ų196152.1 Ų152.197%0.96681%0.812SS**  -163.2179.7107.7-109.8-164.5168.800112.6
601N28.8Very low28.3Very low151 Ų151156.2 Ų156.281%0.80782%0.819SS**  trans-108.7165.6-147.4-121.1-33.9000115.5
602K29Very low28.3Very low198 Ų198160.3 Ų160.386%0.86182%0.818SS**  trans71.6155.1163.5-68.4175.1175179.90118.9
603A28.3Very low28.1Very low95 Ų95159.3 Ų159.379%0.78581%0.814SS**  cis-178.6127.6-32.800000108.8
604A27.6Very low27.8Very low101 Ų101160 Ų16084%0.83581%0.811SS**  trans-161.990.5164.300000113.1
605I29.5Very low27.9Very low169 Ų169161.6 Ų161.687%0.86781%0.811SS**  trans-0.4113.1153.5-57159000116.9
606R27.9Very low27.7Very low240 Ų240160.3 Ų160.391%0.90682%0.816SS**  trans-148.6132.2149.9-105.2-177-177.81662.2110
607N26.7Very low27.7Very low152 Ų152154.4 Ų154.481%0.81381%0.814SS**  trans-63.5134173.6-64.4-32.2000110.8
608I25Very low27.7Very low165 Ų165154.1 Ų154.185%0.84682%0.822SS**  trans-167.9139.3154.4-99.3145.3000109.3
609S28.4Very low27.7Very low99 Ų99153.1 Ų153.169%0.69282%0.818SS**  trans-67.5154.7172173.80000112.3
610L24.8Very low27.9Very low145 Ų145154.2 Ų154.276%0.75982%0.817SS**  trans153.7122.7131.8-80.1164.8000115.1
611R24.8Very low27.6Very low220 Ų220152.9 Ų152.983%0.8381%0.806SS**  trans39.3113.1136-63.4-177.1173.5-161.8-3.4121.9
612R31Very low27.5Very low223 Ų223150.7 Ų150.784%0.84280%0.802SS**  57.2139.4113.9-153.3-168.3-69.9-172.5-0.3120.7
613K27.3Very low27.4Very low179 Ų179150.6 Ų150.678%0.77881%0.805SS**  trans101.1152.5163.4-66.3-178.4171.7-173.20115.9
614L26.6Very low27.5Very low129 Ų129152.8 Ų152.868%0.67581%0.809SS**  cis-158.5136.74.6-113.2146000110
615F29.4Very low27.6Very low192 Ų192151.5 Ų151.584%0.84281%0.805SS**  trans43.3145133.9-75.6-122000124.6
616G26.4Very low27.5Very low82 Ų82150.8 Ų150.885%0.84580%0.803SS**  trans-159.5117.7150.700000110.4
617A27.4Very low27.5Very low98 Ų98148.4 Ų148.481%0.8180%0.8SS**  trans-117.1153-166.400000114.1
618S26.9Very low27.9Very low121 Ų121147.8 Ų147.885%0.84680%0.801SS**  trans-147.6120.8158.154.90000111.1
619Q30.9Very low27.8Very low163 Ų163147.5 Ų147.576%0.76280%0.796SS**  trans-76.7156.4171-104.3-162.415.400110.6
620P30.4Very low27.6Very low121 Ų121147.2 Ų147.279%0.78679%0.794SS**  -148.7143.173.237.2-16.8000119.1
621K23.6Very low27.5Very low168 Ų168145.9 Ų145.973%0.7380%0.797SS**  trans28.3113133-68.8-177.5176.4-178.80121.1
622S26.3Very low27.5Very low105 Ų105140.9 Ų140.973%0.73480%0.796SS**  42.3119.4126.165.50000121
623Q26.4Very low27.2Very low195 Ų195137.8 Ų137.891%0.91179%0.793SS**  -159.6142.4117.9-118167.5-19.600112.6
624T29.5Very low27.1Very low142 Ų142134 Ų13487%0.87179%0.788SS**  trans-75.1155.217437.10000111.9
625G29.9Very low27Very low74 Ų74136.2 Ų136.276%0.76379%0.794SS**  trans-174.795.117300000112.2
626N28.6Very low26.8Very low153 Ų153133 Ų13382%0.81879%0.786SS**  trans-68.5139.4171.8-67.9-10.5000110.1
627F27.2Very low26.8Very low191 Ų191138.6 Ų138.684%0.83879%0.788SS**  trans-146.5112.2149.9-111-82.3000109
628V34.6Very low26.9Very low139 Ų139142.4 Ų142.484%0.84279%0.786SS**  trans-105.5126.6170.5167.90000105.9
629E24.6Very low27.1Very low158 Ų158142.5 Ų142.574%0.73878%0.781SS**  trans-162.9137.6167.7-117.7178.9161.500112.3
630S23.6Very low26.9Very low94 Ų94139.6 Ų139.666%0.65778%0.779SS**  trans69.896.2142.8-55.70000121.3
631S22.5Very low27.2Very low117 Ų117142.3 Ų142.382%0.81878%0.782SS**  32.4128.1109.7-49.10000121.7
632S25.6Very low27.5Very low115 Ų115140.5 Ų140.580%0.80478%0.776SS**  trans85.7140.3131.2-161.30000121.9
633M24.1Very low27.6Very low157 Ų157142.6 Ų142.677%0.77378%0.779SS**  trans84.7102162-60.4-127.572.500121.4
634C24.1Very low27.8Very low100 Ų100140.6 Ų140.668%0.67678%0.779SS**  trans54.6133.2130.7-68.30000125.3
635E24.4Very low27.8Very low175 Ų175143.2 Ų143.282%0.81878%0.779SS**  trans73.6131.5140.2-69.3-176.5160.900123
636D26.2Very low27.8Very low126 Ų126149.4 Ų149.467%0.67478%0.784SS**  trans50.2125.1157.6-66.8-13.9000120.1
637F26.9Very low27.6Very low198 Ų198147 Ų14787%0.86878%0.779SS**  -173.1169.175.7-92.7-73.2000113.4
638K28.2Very low27.6Very low178 Ų178146.5 Ų146.577%0.77478%0.78SS**  trans-72.6139.6-168.6-63.1169.3178.6172.40117.6
639T32.1Very low27.3Very low123 Ų123146.1 Ų146.176%0.75578%0.778SS**  trans53.3118.9143.459.50000121.7
640S27.2Very low27.3Very low102 Ų102145.2 Ų145.271%0.71378%0.777SS**  trans-176.9144.6132.7-172.50000111.6
641E34.9Very low27.4Very low179 Ų179150.8 Ų150.884%0.83679%0.79SS**  trans-78.6158.6172.4-57.9176121.200113.4
642Q30.4Very low27.5Very low130 Ų130152.9 Ų152.961%0.60779%0.787SS**  -175.2122.2129.4-104.1177.52800115.2
643N28.5Very low27.4Very low149 Ų149152.7 Ų152.780%0.79779%0.785SS**  trans40.4113.1139.8-69.1-45.8000122.8
644V31.3Very low27.5Very low153 Ų153154.1 Ų154.193%0.92779%0.787SS**  trans-141.3133135.1-174.70000112.2
645K29.5Very low27.5Very low197 Ų197155.9 Ų155.986%0.85780%0.795SS**  trans-64.5148.1-172.4-55.6157.7177.9173.50116.6
646K28.3Very low27.8Very low203 Ų203155.7 Ų155.788%0.88379%0.794SS**  -174122.2123.7-105.4167.6-179.2178.80116.7
647S26.3Very low27.8Very low102 Ų102156.5 Ų156.571%0.71380%0.799SS**  trans52.4100.6143.9-65.30000124.7
648E25.9Very low27.9Very low182 Ų182154.8 Ų154.885%0.8580%0.797SS**  40.1111.2121.7-61.7174.9147.600121.6
649V28.3Very low27.9Very low130 Ų130151.5 Ų151.579%0.78878%0.784SS**  -143.5142.4116.1-178.50000108.4
650L25.1Very low27.6Very low140 Ų140152.7 Ų152.773%0.73379%0.786SS**  trans-82.9132.6-176.6-75.9143.9000113.4
651F25.6Very low27.7Very low210 Ų210152.6 Ų152.692%0.92178%0.781SS**  trans-150.5147.4140.4-99.2-75.9000109.6
652H24.3Very low27.2Very low162 Ų162150.6 Ų150.675%0.7578%0.781SS**  trans-99.3129.3-172.1-70.2-9.6000112.9
653S23.7Very low27Very low111 Ų111152.7 Ų152.778%0.77679%0.788SS**  trans-156.9125.3156.954.80000109.4
654F25.9Very low26.9Very low186 Ų186152.2 Ų152.282%0.81679%0.786SS**  trans-76.4121.6-174.9-75.4-100.4000112.4
655T25.3Very low26.7Very low138 Ų138156.7 Ų156.785%0.84779%0.786SS**  trans-136.2114.4152.4500000106.5
656E29.8Very low26.6Very low170 Ų170152.4 Ų152.479%0.79478%0.781SS**  trans-115.7126-172.6-158.5164.4-139.200109.8
657D26.8Very low26.8Very low144 Ų144149.7 Ų149.777%0.7778%0.782SS**  trans-67.4134.8-175.4-57.4-74.6000112.5
658I28.6Very low26.8Very low162 Ų162154.5 Ų154.583%0.83178%0.784SS**  trans-131128.8162.9-58.1-175.4000110.7
659H29Very low27.2Very low108 Ų108155.2 Ų155.250%0.578%0.784SS.*  trans-80.8163.8-173.3-81.9-100.1000114.7V661H659-V661 PolarHBondContact O-N 3.41Å
660D25Very low27.2Very low149 Ų149153 Ų15380%0.79777%0.773SS**  trans-44.8120.9167.1-67.8-55.7000113.4
661V28.3Very low27.5Very low99 Ų99152.1 Ų152.160%0.677%0.768SS**  trans-140110.9158.6-164.80000110.2H659 F663H659-V661 PolarHBondContact O-N 3.41Å; V661-F663 HydrophobicContact CG1-CD2 3.51Å; V661-F663 HydrophobicContact CG1-CE2 3.64Å; V661-F663 PolarHBondContact O-N 2.83Å
662T25.4Very low27.9Very low137 Ų137147.8 Ų147.884%0.8475%0.754SS**  trans-68.4119.6169.245.40000111
663F26Very low28.2Very low175 Ų175144.2 Ų144.277%0.76875%0.752SS**  trans-139.2125.5167.5-97.7-70.6000116.1V661V661-F663 HydrophobicContact CG1-CD2 3.51Å; V661-F663 HydrophobicContact CG1-CE2 3.64Å; V661-F663 PolarHBondContact O-N 2.83Å
664N26.7Very low28.6Very low139 Ų139141.9 Ų141.974%0.74375%0.746SS**  trans-5.8110.5164.4-67.1-32.3000120.3S666N664-S666 PolarHBondContact O-N 3.23Å
665R26.3Very low28.9Very low246 Ų246140.2 Ų140.293%0.92875%0.745SS**SBendtrans-15.180.8130.3-166.2-173.2-147.1-155.14.4115.6
666S27.9Very low29.5Very low108 Ų108138.4 Ų138.476%0.75573%0.73SS**  trans-178.583156.5-83.60000113N664N664-S666 PolarHBondContact O-N 3.23Å
667T32Very low29.9Very low146 Ų146132.3 Ų132.390%0.89671%0.705SS**  trans167.4103.8145.528.20000110
668R27.9Very low30.3Very low203 Ų203133.2 Ų133.277%0.76671%0.706SS**  trans-73.6125171.2-75.3178.1174.8151.3-2.7109.8D699R668-D699 IonicContact NH1-OD1 3.09Å; R668-D699 PolarHBondContact NH1-OD1 3.38Å
669K32.8Very low31Very low196 Ų196129.9 Ų129.985%0.85269%0.693SS**  trans-123.4132156.8-87.6-173.3174.3-178.40108.4
670P28.5Very low31.7Very low84 Ų84126.5 Ų126.555%0.54568%0.678SS.*  trans-84-178.7176.937.1-36.2000111.7
671I31.4Very low32.5Very low122 Ų122128 Ų12863%0.62667%0.672SS**  trans111.5124.9-173.7-68.8162.3000109.6
672N34.8Very low33.3Very low118 Ų118131.1 Ų131.163%0.63168%0.68SS**  cis-142.7143.43.2-101.4-13.7000109.8
673A30.2Very low34.2Very low87 Ų87128.9 Ų128.972%0.71966%0.66SS**  trans-103151.715900000108.9
674G31.7Very low35.2Very low62 Ų62125.2 Ų125.264%0.63964%0.644SS**SBendtrans-74.2165173.700000112.3
675D33.4Very low36.3Very low151 Ų151124.7 Ų124.781%0.80764%0.641SS**  trans53.877.8164.8-49.4-25.1000114.6
676L36.2Very low37.9Very low100 Ų100117.9 Ų117.952%0.52462%0.622SS.*  trans-108.3128.5162.6-74.1166.1000108.1E680L676-E680 HydrophobicContact CB-CB 4.12Å; L676-E680 HydrophobicContact CD2-CB 3.96Å; L676-E680 HydrophobicContact CD2-CG 4.33Å
677T39.8Very low39Very low42 Ų42116.5 Ų116.526%0.25860%0.602SS.*  trans-61.1161.3179.463.40000111.9E485 V679 E680 W681E485-T677 WeakPolarHBondContact OE2-CG2 3.49Å; T677-V679 PolarHBondContact O-N 3.33Å; T677-V679 VanDerWaalsContact O-N 3.13Å; T677-E680 WeakPolarHBondContact CB-OE2 3.25Å; T677-E680 PolarHBondContact N-OE2 3.46Å; T677-E680 PolarHBondContact O-N 3.36Å; T677-E680 WeakPolarHBondContact OG1-CG 3.3Å; T677-E680 PolarHBondContact OG1-N 3.26Å; T677-E680 PolarHBondContact OG1-OE2 2.72Å; T677-W681 PolarHBondContact O-N 3.48Å
678M34.9Very low40.2Very low164 Ų164113.7 Ų113.781%0.80858%0.579SS**Hα-helixtrans-59.8-26.1179.3-167.2172.563.300112.9W681 E682M678-W681 WeakPolarHBondContact O-CB 3.34Å; M678-E682 PolarHBondContact O-N 2.87Å
679V43.5Very low42.1Very low92 Ų92113.5 Ų113.556%0.55858%0.578SS**Hα-helixtrans-73.7-37.6175.2179.70000111.6T677 W681 E682 H683T677-V679 PolarHBondContact O-N 3.33Å; T677-V679 VanDerWaalsContact O-N 3.13Å; V679-W681 VanDerWaalsContact C-N 3.31Å; V679-E682 PolarHBondContact O-N 2.87Å; V679-H683 PolarHBondContact O-N 2.88Å
680E43.5Very low43.4Very low36 Ų36107.3 Ų107.317%0.16855%0.554CS.*Hα-helixtrans-72.4-26.2175.3-68.3166.1119.200112.2L676 T677 H683 K684 F687L676-E680 HydrophobicContact CB-CB 4.12Å; L676-E680 HydrophobicContact CD2-CB 3.96Å; L676-E680 HydrophobicContact CD2-CG 4.33Å; T677-E680 WeakPolarHBondContact CB-OE2 3.25Å; T677-E680 PolarHBondContact N-OE2 3.46Å; T677-E680 PolarHBondContact O-N 3.36Å; T677-E680 WeakPolarHBondContact OG1-CG 3.3Å; T677-E680 PolarHBondContact OG1-N 3.26Å; T677-E680 PolarHBondContact OG1-OE2 2.72Å; E680-H683 CarbonylContact O-C 3.51Å; E680-H683 PolarHBondContact O-N 3.27Å; E680-K684 PolarHBondContact O-N 2.83Å; E680-K684 VanDerWaalsContact O-N 3.08Å; E680-F687 HydrophobicContact CB-CE2 4.43Å; E680-F687 HydrophobicContact CG-CE2 4Å; E680-F687 HydrophobicContact CG-CZ 4.4Å
681W40.9Very low44.9Very low182 Ų182107.5 Ų107.569%0.68955%0.55SS**Hα-helixtrans-63.4-41.6169.4-96.883.1000113T677 M678 V679 H683T677-W681 PolarHBondContact O-N 3.48Å; M678-W681 WeakPolarHBondContact O-CB 3.34Å; V679-W681 VanDerWaalsContact C-N 3.31Å; W681-H683 VanDerWaalsContact C-N 3.35Å
682E45.9Very low46.5Very low164 Ų164106 Ų10677%0.76654%0.542SS*.Hα-helixtrans-71.6-29.5177.3-67.5-165.2141.100112.6M678 V679M678-E682 PolarHBondContact O-N 2.87Å; V679-E682 PolarHBondContact O-N 2.87Å
683H43.3Very low48.1Very low90 Ų90102.9 Ų102.942%0.41753%0.533SS..THydrogen-bonded Turntrans-99.216179.2-65.8146000115V679 E680 W681 D685 I686 F687V679-H683 PolarHBondContact O-N 2.88Å; E680-H683 CarbonylContact O-C 3.51Å; E680-H683 PolarHBondContact O-N 3.27Å; W681-H683 VanDerWaalsContact C-N 3.35Å; H683-D685 VanDerWaalsContact C-N 3.28Å; H683-D685 PolarHBondContact O-N 2.97Å; H683-D685 VanDerWaalsContact O-N 3.16Å; H683-I686 HydrophobicContact CB-CB 4.49Å; H683-I686 HydrophobicContact CB-CD1 4.3Å; H683-I686 WeakPolarHBondContact O-CA 3.46Å; H683-I686 WeakPolarHBondContact O-CB 3.48Å; H683-I686 PolarHBondContact O-N 3.14Å; H683-F687 HydrophobicContact CB-CD2 4.18Å; H683-F687 HydrophobicContact CB-CE2 4.19Å; H683-F687 PolarHBondContact O-N 3Å; H683-F687 VanDerWaalsContact O-N 3.09Å
684K47.1Very low49.5Very low98 Ų98102.6 Ų102.643%0.42652%0.518SS..Hα-helixtrans-50.4-41.8-179.4-178.1172.5-179.1169.30114.3E680 I686 F687 E688E680-K684 PolarHBondContact O-N 2.83Å; E680-K684 VanDerWaalsContact O-N 3.08Å; K684-I686 PolarHBondContact O-N 2.89Å; K684-F687 PolarHBondContact O-N 2.91Å; K684-E688 PolarHBondContact O-N 3.14Å
685D51Low51Low128 Ų128101.8 Ų101.868%0.68450%0.503SS*.Hα-helixtrans-65.4-26.4178-81.87.4000112.8H683 R689H683-D685 VanDerWaalsContact C-N 3.28Å; H683-D685 PolarHBondContact O-N 2.97Å; H683-D685 VanDerWaalsContact O-N 3.16Å; D685-R689 WeakPolarHBondContact O-CB 3.48Å; D685-R689 WeakPolarHBondContact O-CD 3.44Å; D685-R689 VanDerWaalsContact O-CG 3.24Å; D685-R689 WeakPolarHBondContact O-CG 3.43Å; D685-R689 PolarHBondContact O-N 2.89Å
686I59.3Low52.7Low102 Ų102103.3 Ų103.352%0.52350%0.497SS..Hα-helixtrans-78.8-47.3175.9-58.6176.1000109.5H683 K684 R689 L690H683-I686 HydrophobicContact CB-CB 4.49Å; H683-I686 HydrophobicContact CB-CD1 4.3Å; H683-I686 WeakPolarHBondContact O-CA 3.46Å; H683-I686 WeakPolarHBondContact O-CB 3.48Å; H683-I686 PolarHBondContact O-N 3.14Å; K684-I686 PolarHBondContact O-N 2.89Å; I686-R689 WeakPolarHBondContact O-CB 3.27Å; I686-R689 PolarHBondContact O-N 3.43Å; I686-L690 WeakPolarHBondContact O-CB 3.16Å; I686-L690 PolarHBondContact O-N 3.4Å
687F49.8Very low53.9Low79 Ų79103.9 Ų103.935%0.34650%0.5SS..Hα-helixtrans-65.8-37.3177.9-77.5-73.3000113.1E680 H683 K684 R689 L690 L691E680-F687 HydrophobicContact CB-CE2 4.43Å; E680-F687 HydrophobicContact CG-CE2 4Å; E680-F687 HydrophobicContact CG-CZ 4.4Å; H683-F687 HydrophobicContact CB-CD2 4.18Å; H683-F687 HydrophobicContact CB-CE2 4.19Å; H683-F687 PolarHBondContact O-N 3Å; H683-F687 VanDerWaalsContact O-N 3.09Å; K684-F687 PolarHBondContact O-N 2.91Å; F687-R689 PolarHBondContact O-N 3.47Å; F687-L690 PolarHBondContact O-N 3.05Å; F687-L691 VanDerWaalsContact O-CB 3.3Å; F687-L691 WeakPolarHBondContact O-CB 3.41Å; F687-L691 PolarHBondContact O-N 3.18Å
688E57.9Low55.3Low88 Ų88109.1 Ų109.141%0.41152%0.515SS..Hα-helixtrans-62.1-41.5170.7-83.5-164.4-166.500111.8K684 L691 I692K684-E688 PolarHBondContact O-N 3.14Å; E688-L691 PolarHBondContact O-N 3.31Å; E688-I692 WeakPolarHBondContact O-CB 3.49Å; E688-I692 WeakPolarHBondContact O-CD1 3.36Å; E688-I692 VanDerWaalsContact O-CG1 3.24Å; E688-I692 WeakPolarHBondContact O-CG1 3.28Å; E688-I692 PolarHBondContact O-N 3.48Å
689R68Low56.8Low198 Ų198104.8 Ų104.875%0.74750%0.495SS*.Hα-helixtrans-64.2-41.4175.3-79.2175.2171.3-162.4-0.8112.2D685 I686 F687 I692 A693D685-R689 WeakPolarHBondContact O-CB 3.48Å; D685-R689 WeakPolarHBondContact O-CD 3.44Å; D685-R689 VanDerWaalsContact O-CG 3.24Å; D685-R689 WeakPolarHBondContact O-CG 3.43Å; D685-R689 PolarHBondContact O-N 2.89Å; I686-R689 WeakPolarHBondContact O-CB 3.27Å; I686-R689 PolarHBondContact O-N 3.43Å; F687-R689 PolarHBondContact O-N 3.47Å; R689-I692 PolarHBondContact O-N 2.81Å; R689-A693 WeakPolarHBondContact O-CB 3.44Å; R689-A693 PolarHBondContact O-N 3.02Å
690L59.8Low57.9Low66 Ų66102.4 Ų102.435%0.34649%0.485SS..Hα-helixtrans-66.1-42.3177.4-160.475.8000111.1I686 F687 I692 A693 M694I686-L690 WeakPolarHBondContact O-CB 3.16Å; I686-L690 PolarHBondContact O-N 3.4Å; F687-L690 PolarHBondContact O-N 3.05Å; L690-I692 PolarHBondContact O-N 3.49Å; L690-A693 PolarHBondContact O-N 3.04Å; L690-M694 WeakPolarHBondContact O-CB 3.33Å; L690-M694 WeakPolarHBondContact O-CG 3.21Å; L690-M694 PolarHBondContact O-N 3.36Å
691L59.6Low58.8Low89 Ų89105.7 Ų105.747%0.46650%0.503SS..Hα-helixtrans-63.3-41.3176.1-16875.9000112F687 E688 S695F687-L691 VanDerWaalsContact O-CB 3.3Å; F687-L691 WeakPolarHBondContact O-CB 3.41Å; F687-L691 PolarHBondContact O-N 3.18Å; E688-L691 PolarHBondContact O-N 3.31Å; L691-S695 WeakPolarHBondContact O-CB 3.46Å; L691-S695 PolarHBondContact O-N 3.44Å; L691-S695 PolarHBondContact O-OG 2.86Å
692I66.5Low60Low89 Ų89102.3 Ų102.346%0.45650%0.495SS..Hα-helixtrans-65.9-39.8174.2-68.9164.8000110.9E688 R689 L690 S695 R696E688-I692 WeakPolarHBondContact O-CB 3.49Å; E688-I692 WeakPolarHBondContact O-CD1 3.36Å; E688-I692 VanDerWaalsContact O-CG1 3.24Å; E688-I692 WeakPolarHBondContact O-CG1 3.28Å; E688-I692 PolarHBondContact O-N 3.48Å; R689-I692 PolarHBondContact O-N 2.81Å; L690-I692 PolarHBondContact O-N 3.49Å; I692-S695 PolarHBondContact O-N 2.86Å; I692-R696 WeakPolarHBondContact O-CG 3.31Å; I692-R696 PolarHBondContact O-N 2.84Å
693A68.2Low60.9Low53 Ų53101 Ų10144%0.43849%0.488SS..Hα-helixtrans-65.8-45.5175.800000112R689 L690 S695 R696 L697R689-A693 WeakPolarHBondContact O-CB 3.44Å; R689-A693 PolarHBondContact O-N 3.02Å; L690-A693 PolarHBondContact O-N 3.04Å; A693-S695 VanDerWaalsContact C-N 3.32Å; A693-S695 PolarHBondContact O-N 3.16Å; A693-R696 PolarHBondContact O-N 3.19Å; A693-L697 WeakPolarHBondContact O-CB 3.26Å; A693-L697 PolarHBondContact O-N 2.87Å
694M59.8Low61.2Low82 Ų82100.7 Ų100.740%0.40450%0.496SS..Hα-helixtrans-63-36174.1-77.2-1717100112.8L690 L697 R698L690-M694 WeakPolarHBondContact O-CB 3.33Å; L690-M694 WeakPolarHBondContact O-CG 3.21Å; L690-M694 PolarHBondContact O-N 3.36Å; M694-L697 PolarHBondContact O-N 3.25Å; M694-R698 WeakPolarHBondContact O-CB 3.07Å; M694-R698 PolarHBondContact O-N 3.24Å
695S62.7Low61.3Low45 Ų4599.3 Ų99.332%0.31550%0.498SS..Hα-helixtrans-63.7-49174.9-590000110.4L691 I692 A693 L697 R698 D699L691-S695 WeakPolarHBondContact O-CB 3.46Å; L691-S695 PolarHBondContact O-N 3.44Å; L691-S695 PolarHBondContact O-OG 2.86Å; I692-S695 PolarHBondContact O-N 2.86Å; A693-S695 VanDerWaalsContact C-N 3.32Å; A693-S695 PolarHBondContact O-N 3.16Å; S695-L697 VanDerWaalsContact C-N 3.33Å; S695-L697 PolarHBondContact O-N 2.96Å; S695-R698 PolarHBondContact O-N 3.33Å; S695-D699 WeakPolarHBondContact O-CB 3.15Å; S695-D699 PolarHBondContact O-N 3.38Å
696R68.3Low61.2Low183 Ų18398 Ų9869%0.69149%0.492SS*.Hα-helixtrans-62.3-37.3175.3-72.6175.1174.8178.5-1.6113.1I692 A693 A700I692-R696 WeakPolarHBondContact O-CG 3.31Å; I692-R696 PolarHBondContact O-N 2.84Å; A693-R696 PolarHBondContact O-N 3.19Å; R696-A700 WeakPolarHBondContact O-CB 3.14Å; R696-A700 PolarHBondContact O-N 3.41Å
697L62.2Low60.7Low112 Ų11298 Ų9859%0.58649%0.492SS*.Hα-helixtrans-66.4-40.8175.6-172.471.2000111A693 M694 S695 A700 I701A693-L697 WeakPolarHBondContact O-CB 3.26Å; A693-L697 PolarHBondContact O-N 2.87Å; M694-L697 PolarHBondContact O-N 3.25Å; S695-L697 VanDerWaalsContact C-N 3.33Å; S695-L697 PolarHBondContact O-N 2.96Å; L697-A700 PolarHBondContact O-N 3.41Å; L697-I701 HydrophobicContact CG-CD1 3.98Å; L697-I701 WeakPolarHBondContact O-CB 3.35Å; L697-I701 WeakPolarHBondContact O-CD1 3.43Å; L697-I701 WeakPolarHBondContact O-CG1 3.04Å; L697-I701 PolarHBondContact O-N 3.43Å
698R68.2Low60.3Low152 Ų15295.2 Ų95.257%0.57449%0.485SS*.Hα-helixtrans-66.2-49.2175.7-173.2-178.1-64.3-123.7-2.6111.3M694 S695 A700 I701 E702M694-R698 WeakPolarHBondContact O-CB 3.07Å; M694-R698 PolarHBondContact O-N 3.24Å; S695-R698 PolarHBondContact O-N 3.33Å; R698-A700 PolarHBondContact O-N 3.03Å; R698-I701 PolarHBondContact O-N 3.13Å; R698-I701 VanDerWaalsContact O-N 3.1Å; R698-E702 WeakPolarHBondContact O-CB 3.29Å; R698-E702 PolarHBondContact O-N 3.26Å
699D67.6Low59.7Low72 Ų7293.7 Ų93.739%0.38548%0.484SS..Hα-helixtrans-59.3-37.8177.8-59.9-21.1000110.3R668 S695 E702 E703R668-D699 IonicContact NH1-OD1 3.09Å; R668-D699 PolarHBondContact NH1-OD1 3.38Å; S695-D699 WeakPolarHBondContact O-CB 3.15Å; S695-D699 PolarHBondContact O-N 3.38Å; D699-E702 PolarHBondContact O-N 3.23Å; D699-E703 WeakPolarHBondContact O-CB 3.27Å; D699-E703 PolarHBondContact O-N 3.26Å
700A67.1Low58.8Low42 Ų4291.9 Ų91.935%0.34748%0.484SS..Hα-helixtrans-72.8-32.3174.500000114.2R696 L697 R698 C704R696-A700 WeakPolarHBondContact O-CB 3.14Å; R696-A700 PolarHBondContact O-N 3.41Å; L697-A700 PolarHBondContact O-N 3.41Å; R698-A700 PolarHBondContact O-N 3.03Å; A700-C704 WeakPolarHBondContact O-CB 3.4Å; A700-C704 PolarHBondContact O-N 2.99Å; A700-C704 PolarHBondContact O-SG 3.12Å
701I62.5Low58Low106 Ų10695.5 Ų95.554%0.54450%0.497SS..Hα-helixtrans-70.3-34.8171.7-73.4165.7000110.5L697 R698 C704 S705L697-I701 HydrophobicContact CG-CD1 3.98Å; L697-I701 WeakPolarHBondContact O-CB 3.35Å; L697-I701 WeakPolarHBondContact O-CD1 3.43Å; L697-I701 WeakPolarHBondContact O-CG1 3.04Å; L697-I701 PolarHBondContact O-N 3.43Å; R698-I701 PolarHBondContact O-N 3.13Å; R698-I701 VanDerWaalsContact O-N 3.1Å; I701-C704 CarbonylContact O-C 3.59Å; I701-C704 PolarHBondContact O-N 2.94Å; I701-S705 WeakPolarHBondContact O-CB 3.45Å; I701-S705 PolarHBondContact O-N 3.04Å
702E66.2Low57.2Low111 Ų11199.2 Ų99.252%0.51951%0.505SS..Hα-helixtrans-69.1-43.7175.3-156.4163.9174.700110.2R698 D699 C704 S705 D706R698-E702 WeakPolarHBondContact O-CB 3.29Å; R698-E702 PolarHBondContact O-N 3.26Å; D699-E702 PolarHBondContact O-N 3.23Å; E702-C704 VanDerWaalsContact C-N 3.35Å; E702-C704 PolarHBondContact O-N 2.94Å; E702-S705 WeakPolarHBondContact O-CA 3.46Å; E702-S705 VanDerWaalsContact O-CB 3.31Å; E702-S705 WeakPolarHBondContact O-CB 3.19Å; E702-S705 PolarHBondContact O-N 2.87Å; E702-D706 PolarHBondContact O-N 3.26Å
703E63Low56.6Low135 Ų135101.4 Ų101.463%0.63152%0.518SS*.Hα-helixtrans-61.4-38.8170.7-167.6172.3-153.400112.2D699 S705 I707D699-E703 WeakPolarHBondContact O-CB 3.27Å; D699-E703 PolarHBondContact O-N 3.26Å; E703-S705 VanDerWaalsContact C-N 3.34Å; E703-I707 WeakPolarHBondContact O-CD1 3.4Å; E703-I707 VanDerWaalsContact O-CG1 3.25Å; E703-I707 WeakPolarHBondContact O-CG1 3.13Å; E703-I707 PolarHBondContact O-N 2.82Å; E703-I707 VanDerWaalsContact O-N 3.12Å
704C50Low55.6Low84 Ų84105.5 Ų105.557%0.56853%0.531SS*.Hα-helixtrans-72.3-23.9171.9-680000113.7A700 I701 E702 G708A700-C704 WeakPolarHBondContact O-CB 3.4Å; A700-C704 PolarHBondContact O-N 2.99Å; A700-C704 PolarHBondContact O-SG 3.12Å; I701-C704 CarbonylContact O-C 3.59Å; I701-C704 PolarHBondContact O-N 2.94Å; E702-C704 VanDerWaalsContact C-N 3.35Å; E702-C704 PolarHBondContact O-N 2.94Å; C704-G708 WeakPolarHBondContact O-CA 3.4Å; C704-G708 PolarHBondContact O-N 3.32Å
705S49.6Very low55.5Low69 Ų69106.3 Ų106.348%0.48354%0.537SS..Hα-helixtrans-75.6-41.2176176.10000110.5I701 E702 E703 G708 S709I701-S705 WeakPolarHBondContact O-CB 3.45Å; I701-S705 PolarHBondContact O-N 3.04Å; E702-S705 WeakPolarHBondContact O-CA 3.46Å; E702-S705 VanDerWaalsContact O-CB 3.31Å; E702-S705 WeakPolarHBondContact O-CB 3.19Å; E702-S705 PolarHBondContact O-N 2.87Å; E703-S705 VanDerWaalsContact C-N 3.34Å; S705-G708 CarbonylContact O-C 3.55Å; S705-G708 PolarHBondContact O-N 2.76Å; S705-S709 PolarHBondContact O-N 3.48Å
706D48.5Very low54.9Low102 Ų102105.8 Ų105.855%0.54553%0.532SS..Hα-helixtrans-64.5-48174.1-72.6-11.1000110.3E702 G708 S709 E710E702-D706 PolarHBondContact O-N 3.26Å; D706-G708 VanDerWaalsContact C-N 3.27Å; D706-G708 PolarHBondContact O-N 3.24Å; D706-S709 PolarHBondContact O-N 3.28Å; D706-S709 VanDerWaalsContact O-N 3.16Å; D706-S709 PolarHBondContact O-OG 3.3Å; D706-E710 PolarHBondContact O-N 2.87Å
707I48.5Very low54.2Low102 Ų102104.6 Ų104.652%0.52353%0.532SS..Hα-helixtrans-58.2-40.5171.3-66.4165.3000110.9E703 F711E703-I707 WeakPolarHBondContact O-CD1 3.4Å; E703-I707 VanDerWaalsContact O-CG1 3.25Å; E703-I707 WeakPolarHBondContact O-CG1 3.13Å; E703-I707 PolarHBondContact O-N 2.82Å; E703-I707 VanDerWaalsContact O-N 3.12Å; I707-F711 VanDerWaalsContact O-CB 3.29Å; I707-F711 WeakPolarHBondContact O-CB 3.28Å; I707-F711 PolarHBondContact O-N 3.09Å
708G43.1Very low54.1Low20 Ų20106 Ų10621%0.20653%0.534CS..Hα-helixtrans-62.1-44.1175.700000112.5C704 S705 D706 F711 W712C704-G708 WeakPolarHBondContact O-CA 3.4Å; C704-G708 PolarHBondContact O-N 3.32Å; S705-G708 CarbonylContact O-C 3.55Å; S705-G708 PolarHBondContact O-N 2.76Å; D706-G708 VanDerWaalsContact C-N 3.27Å; D706-G708 PolarHBondContact O-N 3.24Å; G708-F711 WeakPolarHBondContact O-CB 3.43Å; G708-F711 PolarHBondContact O-N 2.81Å; G708-F711 VanDerWaalsContact O-N 3.14Å; G708-W712 PolarHBondContact O-N 3.41Å
709S45.3Very low53.5Low56 Ų56104.5 Ų104.539%0.39253%0.533SS..Hα-helixtrans-65.1-42.9178.671.60000111.9S705 D706 F711 W712 D713S705-S709 PolarHBondContact O-N 3.48Å; D706-S709 PolarHBondContact O-N 3.28Å; D706-S709 VanDerWaalsContact O-N 3.16Å; D706-S709 PolarHBondContact O-OG 3.3Å; S709-F711 VanDerWaalsContact C-N 3.27Å; S709-F711 PolarHBondContact O-N 3.49Å; S709-W712 PolarHBondContact O-N 2.76Å; S709-D713 WeakPolarHBondContact O-CB 3.27Å; S709-D713 PolarHBondContact O-N 2.98Å
710E48.7Very low52.7Low159 Ų159105.8 Ų105.874%0.74354%0.539SS*.Hα-helixtrans-63-33.1171-72.5-163.9142.900112.4D706D706-E710 PolarHBondContact O-N 2.87Å
711F42.2Very low52.3Low143 Ų143106.8 Ų106.863%0.62754%0.544SS*.Hα-helixtrans-69.5-33.3176.3-157.2-95.2000112.8I707 G708 S709 V716I707-F711 VanDerWaalsContact O-CB 3.29Å; I707-F711 WeakPolarHBondContact O-CB 3.28Å; I707-F711 PolarHBondContact O-N 3.09Å; G708-F711 WeakPolarHBondContact O-CB 3.43Å; G708-F711 PolarHBondContact O-N 2.81Å; G708-F711 VanDerWaalsContact O-N 3.14Å; S709-F711 VanDerWaalsContact C-N 3.27Å; S709-F711 PolarHBondContact O-N 3.49Å; F711-V716 HydrophobicContact CD1-CG2 4.48Å; F711-V716 WeakPolarHBondContact O-CG2 3.28Å
712W43.2Very low52.3Low166 Ų166105.8 Ų105.863%0.62954%0.542SS*.Iπ-helixtrans-89.5-34.3-178.7-67.6114.4000114.3G708 S709 V716G708-W712 PolarHBondContact O-N 3.41Å; S709-W712 PolarHBondContact O-N 2.76Å; W712-V716 HydrophobicContact CE3-CB 4.14Å; W712-V716 HydrophobicContact CE3-CG1 3.77Å; W712-V716 HydrophobicContact CE3-CG2 4.11Å; W712-V716 HydrophobicContact CZ3-CG1 3.85Å; W712-V716 HydrophobicContact CZ3-CG2 4.42Å
713D53.2Low51.5Low135 Ų135105 Ų10572%0.72254%0.541SS*.Iπ-helixtrans-83.9-16.7-164.8-101.6-16.2000116.8S709S709-D713 WeakPolarHBondContact O-CB 3.27Å; S709-D713 PolarHBondContact O-N 2.98Å
714L48.7Very low50.6Low139 Ų139103 Ų10373%0.72853%0.534SS*.Iπ-helixtrans-120.9-42.9-172.2-141.970000116.6
715D55.9Low50.9Low99 Ų99103.1 Ų103.153%0.52953%0.533SS..Iπ-helixtrans-105.6-31.8-178.6-83.2-34.1000114.3K717 K718 H719D715-K717 VanDerWaalsContact C-N 3.35Å; D715-K717 PolarHBondContact O-N 3.42Å; D715-K718 PolarHBondContact O-N 2.76Å; D715-H719 WeakPolarHBondContact O-CB 3.43Å; D715-H719 PolarHBondContact O-N 2.71Å
716V51.2Low50.9Low34 Ų34103.2 Ų103.221%0.20653%0.533CS..Iπ-helixtrans-64.6-37.8179.8174.50000111.8F711 W712 K718 H719 L720F711-V716 HydrophobicContact CD1-CG2 4.48Å; F711-V716 WeakPolarHBondContact O-CG2 3.28Å; W712-V716 HydrophobicContact CE3-CB 4.14Å; W712-V716 HydrophobicContact CE3-CG1 3.77Å; W712-V716 HydrophobicContact CE3-CG2 4.11Å; W712-V716 HydrophobicContact CZ3-CG1 3.85Å; W712-V716 HydrophobicContact CZ3-CG2 4.42Å; V716-K718 VanDerWaalsContact C-N 3.34Å; V716-K718 PolarHBondContact O-N 3.29Å; V716-H719 PolarHBondContact O-N 2.84Å; V716-L720 HydrophobicContact CG1-CD1 3.93Å; V716-L720 WeakPolarHBondContact O-CB 3.49Å; V716-L720 PolarHBondContact O-N 3.21Å
717K53.9Low50.7Low159 Ų159102.8 Ų102.869%0.69153%0.528SS*.Hα-helixtrans-67.6-32.9176.5-167.9170.7-174.8170.30113D715 S721D715-K717 VanDerWaalsContact C-N 3.35Å; D715-K717 PolarHBondContact O-N 3.42Å; K717-S721 VanDerWaalsContact O-CB 3.25Å; K717-S721 WeakPolarHBondContact O-CB 3.46Å; K717-S721 PolarHBondContact O-N 2.82Å; K717-S721 PolarHBondContact O-OG 2.66Å
718K59.5Low50.3Low141 Ų141104 Ų10461%0.61353%0.533SS*.Hα-helixtrans-71.2-45.6171.4-89.5179.7176.6172.40111.3D715 V716 S721 V722D715-K718 PolarHBondContact O-N 2.76Å; V716-K718 VanDerWaalsContact C-N 3.34Å; V716-K718 PolarHBondContact O-N 3.29Å; K718-S721 PolarHBondContact O-N 3.47Å; K718-V722 WeakPolarHBondContact O-CB 3.25Å; K718-V722 VanDerWaalsContact O-CG2 3.28Å; K718-V722 WeakPolarHBondContact O-CG2 3.35Å; K718-V722 PolarHBondContact O-N 2.69Å
719H56.1Low50.2Low121 Ų121110 Ų11056%0.5656%0.56SS**Hα-helixtrans-68.1-34.7178.1-77.1-32.9000113.1D715 V716 L723D715-H719 WeakPolarHBondContact O-CB 3.43Å; D715-H719 PolarHBondContact O-N 2.71Å; V716-H719 PolarHBondContact O-N 2.84Å; H719-L723 WeakPolarHBondContact O-CB 3.23Å; H719-L723 WeakPolarHBondContact O-CD1 3.37Å; H719-L723 PolarHBondContact O-N 3.35Å
720L50Low49.9Very low98 Ų98110.7 Ų110.751%0.51357%0.565SS.*Hα-helixtrans-69.1-42.2169.4-112.280.5000111.7V716 V722 L723 L724V716-L720 HydrophobicContact CG1-CD1 3.93Å; V716-L720 WeakPolarHBondContact O-CB 3.49Å; V716-L720 PolarHBondContact O-N 3.21Å; L720-V722 VanDerWaalsContact C-N 3.3Å; L720-V722 PolarHBondContact O-N 2.9Å; L720-L723 PolarHBondContact O-N 3.09Å; L720-L724 HydrophobicContact CD2-CD1 4.42Å; L720-L724 VanDerWaalsContact O-CB 3.22Å; L720-L724 WeakPolarHBondContact O-CB 3.02Å; L720-L724 WeakPolarHBondContact O-CG 3.48Å; L720-L724 PolarHBondContact O-N 3.26Å
721S58.8Low49.3Very low64 Ų64110.1 Ų110.145%0.44856%0.561SS.*Hα-helixtrans-63.8-38.8176.9-58.30000111.2K717 K718 T725K717-S721 VanDerWaalsContact O-CB 3.25Å; K717-S721 WeakPolarHBondContact O-CB 3.46Å; K717-S721 PolarHBondContact O-N 2.82Å; K717-S721 PolarHBondContact O-OG 2.66Å; K718-S721 PolarHBondContact O-N 3.47Å; S721-T725 WeakPolarHBondContact O-CB 3.26Å; S721-T725 WeakPolarHBondContact O-CG2 3.37Å; S721-T725 PolarHBondContact O-N 2.78Å; S721-T725 PolarHBondContact O-OG1 3.3Å
722V62.2Low49.2Very low85 Ų85112 Ų11252%0.51557%0.571SS.*Hα-helixtrans-70.6-42.4174.5170.70000111.5K718 L720 T725 S726K718-V722 WeakPolarHBondContact O-CB 3.25Å; K718-V722 VanDerWaalsContact O-CG2 3.28Å; K718-V722 WeakPolarHBondContact O-CG2 3.35Å; K718-V722 PolarHBondContact O-N 2.69Å; L720-V722 VanDerWaalsContact C-N 3.3Å; L720-V722 PolarHBondContact O-N 2.9Å; V722-T725 PolarHBondContact O-OG1 2.83Å; V722-S726 VanDerWaalsContact O-CB 3.23Å; V722-S726 WeakPolarHBondContact O-CB 3.18Å; V722-S726 PolarHBondContact O-N 2.96Å; V722-S726 PolarHBondContact O-OG 3.2Å
723L50Low49Very low95 Ų95107.9 Ų107.950%0.49757%0.572SS.*Hα-helixtrans-61.2-46.9173.8-110.484.8000111H719 L720 S726 Q727H719-L723 WeakPolarHBondContact O-CB 3.23Å; H719-L723 WeakPolarHBondContact O-CD1 3.37Å; H719-L723 PolarHBondContact O-N 3.35Å; L720-L723 PolarHBondContact O-N 3.09Å; L723-S726 PolarHBondContact O-OG 2.95Å; L723-Q727 WeakPolarHBondContact O-CB 3.23Å; L723-Q727 VanDerWaalsContact O-CG 3.28Å; L723-Q727 WeakPolarHBondContact O-CG 3.45Å; L723-Q727 PolarHBondContact O-N 3.49Å
724L44Very low48.1Very low91 Ų91109.1 Ų109.148%0.47657%0.574SS.*Hα-helixtrans-71.5-37.7-176.4-68.2168.3000111.9L720 M728L720-L724 HydrophobicContact CD2-CD1 4.42Å; L720-L724 VanDerWaalsContact O-CB 3.22Å; L720-L724 WeakPolarHBondContact O-CB 3.02Å; L720-L724 WeakPolarHBondContact O-CG 3.48Å; L720-L724 PolarHBondContact O-N 3.26Å; L724-M728 WeakPolarHBondContact O-CB 3.42Å; L724-M728 WeakPolarHBondContact O-CG 3.14Å; L724-M728 PolarHBondContact O-N 3.45Å
725T56.8Low47.4Very low88 Ų88108.8 Ų108.854%0.5458%0.577SS.*Hα-helixtrans-72.6-38.4173.350.60000112.6S721 V722 D729S721-T725 WeakPolarHBondContact O-CB 3.26Å; S721-T725 WeakPolarHBondContact O-CG2 3.37Å; S721-T725 PolarHBondContact O-N 2.78Å; S721-T725 PolarHBondContact O-OG1 3.3Å; V722-T725 PolarHBondContact O-OG1 2.83Å; T725-D729 PolarHBondContact O-N 3.17Å
726S49.7Very low46.5Very low71 Ų71111.7 Ų111.750%0.49759%0.592SS.*Hα-helixtrans-75.1-22.4175.162.60000114.3V722 L723V722-S726 VanDerWaalsContact O-CB 3.23Å; V722-S726 WeakPolarHBondContact O-CB 3.18Å; V722-S726 PolarHBondContact O-N 2.96Å; V722-S726 PolarHBondContact O-OG 3.2Å; L723-S726 PolarHBondContact O-OG 2.95Å
727Q42.8Very low45.6Very low92 Ų92121.8 Ų121.843%0.4363%0.627SS.*Hα-helixtrans-87.3-35.9171.2-72-172.3-56.800112.9L723 D729 S730 F731L723-Q727 WeakPolarHBondContact O-CB 3.23Å; L723-Q727 VanDerWaalsContact O-CG 3.28Å; L723-Q727 WeakPolarHBondContact O-CG 3.45Å; L723-Q727 PolarHBondContact O-N 3.49Å; Q727-D729 VanDerWaalsContact C-N 3.33Å; Q727-D729 PolarHBondContact O-N 2.79Å; Q727-S730 CarbonylContact O-C 3.54Å; Q727-S730 WeakPolarHBondContact O-CA 3.17Å; Q727-S730 PolarHBondContact O-N 3.13Å; Q727-F731 HydrophobicContact CB-CD2 4.22Å; Q727-F731 WeakPolarHBondContact O-CD2 3.18Å; Q727-F731 PolarHBondContact O-N 2.79Å
728M40.9Very low44.6Very low127 Ų127119.6 Ų119.663%0.62663%0.629SS**Hα-helixtrans-65.5-35.4-179.8-75.4176.484.100112.6L724 S730 F731L724-M728 WeakPolarHBondContact O-CB 3.42Å; L724-M728 WeakPolarHBondContact O-CG 3.14Å; L724-M728 PolarHBondContact O-N 3.45Å; M728-S730 PolarHBondContact O-N 3.42Å; M728-F731 PolarHBondContact O-N 3.17Å
729D41.6Very low43.2Very low146 Ų146121.1 Ų121.178%0.78164%0.644SS**Hα-helixtrans-71.8-18.1172.5-69.9-19.7000113T725 Q727T725-D729 PolarHBondContact O-N 3.17Å; Q727-D729 VanDerWaalsContact C-N 3.33Å; Q727-D729 PolarHBondContact O-N 2.79Å
730S39.3Very low42.1Very low72 Ų72118.7 Ų118.750%0.50365%0.652SS.*Hα-helixtrans-92.6-24175.6-175.80000114Q727 M728Q727-S730 CarbonylContact O-C 3.54Å; Q727-S730 WeakPolarHBondContact O-CA 3.17Å; Q727-S730 PolarHBondContact O-N 3.13Å; M728-S730 PolarHBondContact O-N 3.42Å
731F35.5Very low41.3Very low147 Ų147119.1 Ų119.165%0.64566%0.663SS**Hα-helixtrans-87.8-21.2-174.3-97.4-91.7000114Q727 M728 A733Q727-F731 HydrophobicContact CB-CD2 4.22Å; Q727-F731 WeakPolarHBondContact O-CD2 3.18Å; Q727-F731 PolarHBondContact O-N 2.79Å; M728-F731 PolarHBondContact O-N 3.17Å; F731-A733 VanDerWaalsContact C-N 3.3Å; F731-A733 PolarHBondContact O-N 3.05Å
732H40.2Very low40.1Very low182 Ų182123.7 Ų123.784%0.84368%0.681SS**THydrogen-bonded Turntrans-77.8-8.6177-103-64.8000115
733A38.1Very low38.7Very low79 Ų79123.2 Ų123.265%0.65369%0.686SS**THydrogen-bonded Turntrans-94.8-7.5-174.900000115.5F731F731-A733 VanDerWaalsContact C-N 3.3Å; F731-A733 PolarHBondContact O-N 3.05Å
734H34.1Very low38Very low162 Ų162126.7 Ų126.775%0.7570%0.704SS**SBendtrans-123.82.2-162.3-95.4-64.9000118.8
735V35.5Very low37.6Very low132 Ų132126 Ų12680%0.872%0.719SS**SBendtrans-104.961176.3-166.90000111.2
736N36.7Very low36.6Very low159 Ų159130.2 Ų130.285%0.8574%0.738SS**  trans-157.856.5175.5-107.3-31.6000113.1
737R31.4Very low35.9Very low246 Ų246130 Ų13093%0.92875%0.748SS**  trans-162.8142.3155.6-116.2173.3-172.2-159.41.2113.8
738P33Very low35.6Very low113 Ų113133 Ų13373%0.73477%0.767SS**  trans-90.1155.1-17935.3-33.3000113.4
739N30.1Very low35.2Very low173 Ų173131.9 Ų131.993%0.92577%0.772SS**  trans12.5107.5158.3-62.5-15.1000118.2
740G33.4Very low35Very low71 Ų71132 Ų13273%0.73278%0.777SS**  trans-178.776.917300000116.4
741S32.6Very low34.8Very low106 Ų106135.3 Ų135.374%0.74179%0.789SS**  trans17.3130.5150.464.40000122.5
742I33.7Very low34.9Very low161 Ų161135.3 Ų135.383%0.82680%0.795SS**  trans85.4110.6137.4-64162.5000119.7
743A34Very low34.8Very low75 Ų75133.3 Ų133.362%0.6279%0.791SS**  trans64.9138.7134.900000123.9
744D34.9Very low34.6Very low167 Ų167134 Ų13489%0.89380%0.796SS**  trans54.9126.4144.7-52.1-16.2000121.3
745G34.7Very low34.7Very low76 Ų76135.7 Ų135.778%0.78480%0.801SS**  trans154.2111.115800000115.7
746D37Very low34.5Very low177 Ų177138.4 Ų138.495%0.94781%0.805SS**  trans-64.9162.8169.2-52.8-75.3000113.2
747G34.5Very low34.1Very low68 Ų68135.6 Ų135.670%0.70180%0.804SS**  trans149.294.915200000119.3
748D37.3Very low34.2Very low154 Ų154131.3 Ų131.382%0.82480%0.8SS**  trans55.8102.2133.1-60.2-8.5000123
749S31.6Very low34.3Very low104 Ų104135.6 Ų135.673%0.72781%0.807SS**  30.7135.812065.20000122.6
750V38.1Very low34.4Very low147 Ų147135.5 Ų135.589%0.89180%0.804SS**  trans-136.3125.8143.9-178.80000110.2
751D35.1Very low34.4Very low143 Ų143139.3 Ų139.377%0.76581%0.806SS**  trans-68.8165.6175-86.5-55.9000114.2
752L36.2Very low34.5Very low147 Ų147140.8 Ų140.877%0.7781%0.805SS**  180121113.4-91.4161.9000115.1
753D38.7Very low34.6Very low140 Ų140141.3 Ų141.375%0.74980%0.802SS**  trans70.477.3140.5-67.5-2.7000123.8
754A33.1Very low34.5Very low92 Ų92142.8 Ų142.876%0.7681%0.807SS**  15.4131.1117.800000122.1
755K37.1Very low34.4Very low199 Ų199139.5 Ų139.587%0.86580%0.804SS**  -168165.2118.7-105.9161.3-169.7169.20113.8
756E31.3Very low34.2Very low188 Ų188142.9 Ų142.988%0.87980%0.804SS**  trans78.147.9171.1-126.576.1-143.100118.4
757A28.7Very low34Very low101 Ų101146.1 Ų146.184%0.83580%0.803SS**  trans-129104158.900000110.3
758D32.7Very low33.6Very low155 Ų155148.5 Ų148.583%0.82981%0.808SS**  trans-152.178.6-178.2-149.92.1000113.1
759K35.8Very low33.2Very low204 Ų204144.9 Ų144.989%0.88780%0.8SS**  trans173.561.6152-99168.1-177.6175.10114.8
760I31.8Very low33.1Very low170 Ų170151.7 Ų151.787%0.87281%0.81SS**  trans-14191.7160.2-54178.7000109.4
761I33.2Very low32.6Very low151 Ų151154.3 Ų154.377%0.77481%0.81SS**  trans-147.1148.2165.5-45.5178.5000111.1
762L36Very low32.4Very low137 Ų137155.6 Ų155.672%0.71782%0.817SS**  trans79132.9-179.8-6596.5000114.7
763K35.6Very low32Very low173 Ų173152.1 Ų152.175%0.75282%0.816SS**  cis-154.2141.6-13.2-94.5175177.7165.40105.2
764S30.9Very low31.5Very low105 Ų105149.2 Ų149.273%0.73482%0.82SS**  cis70.998.540.782.40000116.2
765A33.9Very low31.2Very low99 Ų99154.2 Ų154.282%0.81883%0.827SS**  trans175118.6133.300000113.9
766D30.7Very low31.4Very low146 Ų146153.1 Ų153.178%0.78183%0.83SS**  trans-11.3139.5158.1-38.7-40.2000120.3
767R32.6Very low31.4Very low245 Ų245149.6 Ų149.693%0.92582%0.823SS**  179.613998.6-94.9166.8-170.9-160.9-0.2114.2
768S26.1Very low31.6Very low118 Ų118150.5 Ų150.583%0.82582%0.821SS**  trans-76.3145170.5173.70000112.1
769A28.6Very low31.4Very low79 Ų79152.6 Ų152.665%0.65382%0.823SS**  153.2127.312300000115.4
770R28Very low31.1Very low246 Ų246150.3 Ų150.393%0.92882%0.821SS**  trans75.9137.1146.9-67.1175.2176.5-160.8-3.6121.3
771F29Very low31.2Very low203 Ų203146.7 Ų146.789%0.8981%0.808SS**  trans-68.4135.4158.8-75.7-105.8000111
772D31.3Very low30.9Very low169 Ų169147.2 Ų147.290%0.90481%0.811SS**  -178.8139.5128.4-110-26.6000113.8
773G27.6Very low30.6Very low74 Ų74144.3 Ų144.376%0.76381%0.814SS**  trans7499.2139.500000123.7
774G26.6Very low30.2Very low80 Ų80145 Ų14583%0.82582%0.817SS**  trans74.9160.5149.900000117.4
775Q28.6Very low30Very low196 Ų196147.6 Ų147.692%0.91682%0.819SS**  cis-141.9146.90.3-69.8174.2-44.300109.8
776L40.1Very low29.8Very low177 Ų177146.9 Ų146.993%0.92781%0.809SS**  trans-85.6140.1164.7-88.8162.4000111
777P32.4Very low29.7Very low113 Ų113148.6 Ų148.673%0.73481%0.812SS**  trans-150.8173130.539.7-24.5000114.1
778P31.9Very low29.5Very low121 Ų121143.2 Ų143.279%0.78680%0.802SS**  -131.5169.3-51.138.1-22.5000113
779F29.4Very low29.6Very low198 Ų198145.3 Ų145.387%0.86880%0.798SS**  trans-75.4152.4169.3-87.2-104.2000112.6
780D29.9Very low29.5Very low157 Ų157151.2 Ų151.284%0.8481%0.812SS**  -175.1164.6129.2-105.2-8.7000113.8
781P32.5Very low29.5Very low93 Ų93143.8 Ų143.860%0.60480%0.804SS**  -141.3-170.8-129.343.2-22.6000117.4
782I27.4Very low29.5Very low163 Ų163139.6 Ų139.684%0.83680%0.8SS**  trans73.7125.4161.5-56.8161.3000117.9
783G30.4Very low29.3Very low76 Ų76140.2 Ų140.278%0.78480%0.802SS**  trans-175.5117.2164.200000112.5
784F27.1Very low29.3Very low186 Ų186141.4 Ų141.482%0.81680%0.799SS**  trans-114.2158-168.4-120.3-88.2000112.4
785M26.6Very low29.5Very low160 Ų160145 Ų14579%0.78879%0.794SS**  trans72.5148.5167.4-45.5-108.579.600115.6
786S28.4Very low29.5Very low85 Ų85143.1 Ų143.159%0.59479%0.789SS**  cis170.8128-22.557.40000105.6
787Q30.1Very low29.2Very low181 Ų181145.7 Ų145.785%0.84679%0.788SS**  trans168.3127141.8-96.1166.719.500112
788N27.6Very low29Very low133 Ų133143.8 Ų143.871%0.71179%0.789SS**  trans60.9148.1149.1-73.122000123.9
789E29.1Very low28.8Very low161 Ų161143.9 Ų143.975%0.75279%0.793SS**  trans76.784.3149.4-73.8152.3-127.400119.8A791E789-A791 PolarHBondContact O-N 2.86Å
790E25.8Very low28.6Very low203 Ų203138.6 Ų138.695%0.94979%0.786SS**  23.877.1121.3-60-174.8153.100119
791A28.9Very low28.5Very low91 Ų91143.1 Ų143.175%0.75279%0.791SS**  trans-158.6117.5146.600000110E789 L793E789-A791 PolarHBondContact O-N 2.86Å; A791-L793 PolarHBondContact O-N 3.33Å
792S27Very low28.4Very low115 Ų115150.1 Ų150.180%0.80481%0.806SS**  trans-68.2125.3-163.2-63.10000114.5S794S792-S794 PolarHBondContact O-N 3.35Å
793L27.2Very low28.4Very low182 Ų182149.7 Ų149.795%0.95380%0.799SS**  trans-65.598.8168.1-77.4163.6000110.2A791A791-L793 PolarHBondContact O-N 3.33Å
794S28.3Very low28.6Very low98 Ų98150.6 Ų150.669%0.68579%0.792SS**  trans-149.258.2180-65.80000112S792S792-S794 PolarHBondContact O-N 3.35Å
795Q30Very low28.9Very low155 Ų155150.6 Ų150.672%0.72480%0.796SS**  trans-179.798.1160.5-103.9158.720.600111.7H803Q795-H803 PolarHBondContact NE2-NE2 3.04Å
796L29.7Very low28.8Very low157 Ų157146.1 Ų146.182%0.82279%0.792SS**SBendtrans176.6125.7141.1-11870.8000106.7
797Y34.6Very low28.7Very low231 Ų231150.1 Ų150.191%0.90680%0.804SS**SBendtrans62.797-160.9-50.3-82.9000113.1
798G27.4Very low28.4Very low73 Ų73145.8 Ų145.875%0.75379%0.794SS**  cis92.2116.25.600000112.6
799S26.9Very low28.3Very low124 Ų124145.2 Ų145.287%0.86780%0.796SS**  cis-164.7110.7-0.547.90000113.3
800A25.2Very low28.3Very low86 Ų86145 Ų14571%0.71179%0.792SS**SBendtrans-156.7137.515200000109.1
801W27.7Very low28.3Very low252 Ų252141.4 Ų141.496%0.95578%0.779SS**SBendtrans64.849.1168.2-51104.9000120.4
802R31.5Very low28.1Very low241 Ų241141.6 Ų141.691%0.90976%0.764SS**  trans-158.2124.4137.9-80.2-151.5-167.1-115.72.4112.7
803H27.3Very low28.1Very low153 Ų153140 Ų14071%0.70875%0.746SS**  trans-167.2157.3144.2-105.1-61.4000109.6Q795Q795-H803 PolarHBondContact NE2-NE2 3.04Å
804P34.4Very low28.1Very low95 Ų95139 Ų13962%0.61774%0.739SS**  -147.8-170.1-116.342.3-20000116.9
805M32.4Very low28.1Very low186 Ų186143 Ų14392%0.91674%0.744SS**  trans15.9136.4149.2-69.7-173.1-70.500121.4
806G25.6Very low28.1Very low67 Ų67141.9 Ų141.969%0.69174%0.743SS**  trans-171.2103.9154.100000117.8
807I26.2Very low28.1Very low168 Ų168142.1 Ų142.186%0.86274%0.744SS**  trans77.998.1138.8-52.2168.1000119.5
808S24.7Very low27.7Very low91 Ų91140.3 Ų140.364%0.63674%0.741SS**  71.2120121.1-148.90000123
809T25.2Very low27.7Very low120 Ų120144.6 Ų144.674%0.73675%0.745SS**  trans50.9108.9136.259.10000120.2
810K27.5Very low28Very low157 Ų157146.4 Ų146.468%0.68374%0.744SS**  -174.6152.7106.2-106-175.4176.8-167.80114.3M5 A6M5-K810 PolarHBondContact O-NZ 2.84Å; A6-K810 HydrophobicContact CB-CD 4.31Å
811L26.4Very low28.1Very low127 Ų127146.7 Ų146.767%0.66574%0.741SS**  trans-63.8160.3165-120.470000112.1
812H25.5Very low28Very low95 Ų95142.2 Ų142.244%0.4473%0.73SS.*  trans82.7129.7152.9-95.1-63.5000121.8H4H4-H812 AromaticContact CE1-CE1 3.54Å; H4-H812 AromaticContact CE1-ND1 3.56Å; H4-H812 AromaticContact ND1-CD2 3.83Å; H4-H812 AromaticContact ND1-CE1 3.8Å; H4-H812 AromaticContact ND1-CG 3.58Å; H4-H812 AromaticContact ND1-ND1 3.55Å; H4-H812 AromaticContact ND1-NE2 3.98Å
813D26.1Very low27.8Very low81 Ų81137 Ų13743%0.43372%0.717SS.*  trans9089.1145.3-54.7-29.8000120.4H4H4-D813 IonicContact CE1-OD1 2.69Å; H4-D813 IonicContact CE1-OD2 2.65Å; H4-D813 PolarHBondContact CE1-OD2 3.21Å; H4-D813 IonicContact ND1-OD1 3.7Å; H4-D813 IonicContact ND1-OD2 3.02Å; H4-D813 PolarHBondContact ND1-OD2 3.36Å
814M28.5Very low27.7Very low162 Ų162135 Ų13580%0.79872%0.72SS**  38.2139.1121-71.1-168.5-72.300121.4
815K27.4Very low27.4Very low181 Ų181136.2 Ų136.279%0.78772%0.72SS**  trans8793.7164.4-59.9176.8-179.4-179.70117
816N29Very low27.1Very low132 Ų132130.4 Ų130.471%0.70669%0.693SS**  -148.173.2123.5-91.6-40.5000110.3N10N10-N816 WeakPolarHBondContact CB-ND2 3.33Å
817L31.2Very low27.1Very low162 Ų162135.2 Ų135.285%0.84870%0.698SS**  trans-74129.5153.1-85.2125.5000108.7
818K25.3Very low27.1Very low193 Ų193131.7 Ų131.784%0.83969%0.688SS**  trans-171.7152.9139.4-113.1177.5178.1-175.20111
819I27.8Very low27.2Very low163 Ų163138.7 Ų138.784%0.83670%0.702SS**SBendtrans74.499.7-172-44168.5000112.5
820L32.7Very low27.3Very low162 Ų162138.4 Ų138.485%0.84870%0.7SS**  cis-144.7128.5-6.6-115.4166.9000107.9
821S26.9Very low27.3Very low92 Ų92137.4 Ų137.464%0.64370%0.702SS**  trans-100133.6175.352.70000110
822E26.7Very low27.4Very low158 Ų158135 Ų13574%0.73870%0.696SS**  trans-106.545.4170.4-97.1-175.1176.800112.1Y855E822-Y855 WeakPolarHBondContact CB-OH 3.49Å; E822-Y855 PolarHBondContact O-OH 2.76Å
823Q26.2Very low27.5Very low132 Ų132138.1 Ų138.162%0.61772%0.716SS**  trans-119.2142.5157.9-76.4-179.3-7.200108.6D1776Q823-D1776 PolarHBondContact NE2-OD2 3.04Å
824S26.1Very low27.7Very low111 Ų111137.7 Ų137.778%0.77673%0.731SS**  trans71.892.7-173.172.20000117.4
825L28.5Very low27.9Very low120 Ų120135.5 Ų135.563%0.62873%0.729SS**  -163.993.8102-130.585.5000112.1Q827L825-Q827 VanDerWaalsContact CD2-O 3.29Å; L825-Q827 WeakPolarHBondContact CD2-O 3.43Å; L825-Q827 WeakPolarHBondContact CG-O 3.19Å
826N25.2Very low27.9Very low65 Ų65133.8 Ų133.835%0.34873%0.727SS.*  trans-80.7143141.1-108.1-38.7000107.8D851 L854N826-D851 PolarHBondContact ND2-OD1 3.05Å; N826-D851 PolarHBondContact ND2-OD2 3.16Å; N826-L854 VanDerWaalsContact OD1-CD1 3.32Å; N826-L854 WeakPolarHBondContact OD1-CD1 3.32Å
827Q26.2Very low28.1Very low168 Ų168135.9 Ų135.979%0.78573%0.73SS**  trans64131.6179.3-53.4164.66.900114.1L825L825-Q827 VanDerWaalsContact CD2-O 3.29Å; L825-Q827 WeakPolarHBondContact CD2-O 3.43Å; L825-Q827 WeakPolarHBondContact CG-O 3.19Å
828S25.5Very low27.9Very low93 Ų93135.8 Ų135.865%0.6573%0.726SS**  cis-167.8132.7-2.750.10000108.8
829Y27.6Very low28.2Very low238 Ų238131.7 Ų131.793%0.93372%0.721SS**  trans-148.685.8158.2-99-72.6000110.9
830T26.1Very low28.6Very low115 Ų115128.9 Ų128.971%0.70672%0.716SS**  trans-60.8153135.349.30000108.1
831D27.8Very low28.6Very low136 Ų136128.5 Ų128.573%0.72771%0.713SS**  cis-159.2162.513.6-146-23.9000111.3
832S29.2Very low28.7Very low77 Ų77132.1 Ų132.154%0.53872%0.72SS.*  trans32.6128.2147.872.20000120.6
833N28.3Very low29Very low160 Ų160132.6 Ų132.686%0.85673%0.726SS**  -179.9137.470.5-85.7-70.6000112
834G29.9Very low29.3Very low72 Ų72132 Ų13274%0.74273%0.727SS**  trans139127.8160.300000113.8
835P33.4Very low29.6Very low116 Ų116133.8 Ų133.875%0.75373%0.727SS**  -137.9167.8-120.140.6-23.6000118.1
836L27.2Very low29.7Very low144 Ų144136.2 Ų136.275%0.75474%0.739SS**  trans74.6103.5152.8-69.7154.3000119.7
837K31.5Very low30Very low177 Ų177138.1 Ų138.177%0.7776%0.755SS**  -176.1120.691.4-94.6177.2176.8-177.60113.3
838E28.5Very low30.2Very low160 Ų160137.4 Ų137.475%0.74876%0.757SS**  38.1131.9123-62.3167.4148.900118.8
839S31.2Very low30.6Very low106 Ų106140.2 Ų140.274%0.74176%0.764SS**  cis-178.7141.28.2450000112.6
840S35.2Very low31.1Very low105 Ų105134.9 Ų134.973%0.73475%0.752SS**  trans168.2122.5133-77.90000116.6
841I33.4Very low32Very low154 Ų154134.5 Ų134.579%0.7975%0.746SS**  trans50.7103.5136.9-48.8166000118.2
842Q29.3Very low32.8Very low168 Ų168135.4 Ų135.479%0.78574%0.743SS**  7310659.9-70.7-164.22.500118.6
843L32.3Very low33.8Very low167 Ų167135 Ų13587%0.87474%0.74SS**  trans-174.794.4145.5-99.4162.6000106.5
844I33Very low34.9Very low121 Ų121131.9 Ų131.962%0.62172%0.723SS**  98.1107.461.2-72.2170.6000113.4
845N32Very low36Very low148 Ų148133.7 Ų133.779%0.79171%0.708SS**  trans46104.1145.6-55.2-11.7000122.2
846I31.6Very low37.1Very low170 Ų170134.1 Ų134.187%0.87270%0.7SS**  trans-138.4143.3136.3-63.8-170.5000108.3
847P31.5Very low38.8Very low105 Ų105130 Ų13068%0.68269%0.687SS**  trans-108.6147.6-16337.8-29.6000116.5
848N30.6Very low40.7Very low154 Ų154128.6 Ų128.682%0.82468%0.677SS**SBendtrans56.1135152.9-63.4-17.9000120.7
849N32.5Very low42.7Very low152 Ų152124.8 Ų124.881%0.81366%0.661SS**  trans73.277.7176.4-62.7-6.6000116.4
850D38Very low44.6Very low125 Ų125124.7 Ų124.767%0.66865%0.652SS**  trans-167.5107.3137.1-104.9-26.6000111.9K852 S853D850-K852 PolarHBondContact O-N 2.77Å; D850-K852 VanDerWaalsContact O-N 3.07Å; D850-S853 PolarHBondContact O-N 3.46Å; D850-S853 PolarHBondContact O-OG 2.89Å
851D44.9Very low46.7Very low108 Ų108123.8 Ų123.858%0.57864%0.639SS**Hα-helixtrans-59.8-21-179-7717.7000113.3N826 L854N826-D851 PolarHBondContact ND2-OD1 3.05Å; N826-D851 PolarHBondContact ND2-OD2 3.16Å; D851-L854 PolarHBondContact O-N 3.15Å
852K45.5Very low48.8Very low154 Ų154121 Ų12167%0.6763%0.625SS**Hα-helixtrans-62.9-40.5178-145.1170.5-175.3179.10112.3D850 L854 Y855 E856D850-K852 PolarHBondContact O-N 2.77Å; D850-K852 VanDerWaalsContact O-N 3.07Å; K852-L854 VanDerWaalsContact C-N 3.34Å; K852-L854 PolarHBondContact O-N 3.25Å; K852-Y855 PolarHBondContact O-N 3.43Å; K852-E856 PolarHBondContact O-N 3.03Å; K852-E856 VanDerWaalsContact O-N 3.08Å
853S50.1Low51.1Low68 Ų68118.4 Ų118.448%0.47661%0.612SS.*Hα-helixtrans-64.6-34.2-178.765.40000113.4D850 A857D850-S853 PolarHBondContact O-N 3.46Å; D850-S853 PolarHBondContact O-OG 2.89Å; S853-A857 WeakPolarHBondContact O-CB 3.29Å; S853-A857 PolarHBondContact O-N 3.4Å
854L50.7Low53.3Low96 Ų96114 Ų11450%0.50359%0.588SS.*Hα-helixtrans-74.5-29177.3-91.6167.1000113N826 D851 K852 R858N826-L854 VanDerWaalsContact OD1-CD1 3.32Å; N826-L854 WeakPolarHBondContact OD1-CD1 3.32Å; D851-L854 PolarHBondContact O-N 3.15Å; K852-L854 VanDerWaalsContact C-N 3.34Å; K852-L854 PolarHBondContact O-N 3.25Å; L854-R858 PolarHBondContact O-N 2.76Å; L854-R858 VanDerWaalsContact O-N 3.17Å
855Y52.6Low55.5Low109 Ų109112.4 Ų112.443%0.42758%0.58SS.*Hα-helixtrans-72.7-43.9172.1-111.4-75.3000111.4E822 K852 A857 R858 D859E822-Y855 WeakPolarHBondContact CB-OH 3.49Å; E822-Y855 PolarHBondContact O-OH 2.76Å; K852-Y855 PolarHBondContact O-N 3.43Å; Y855-A857 PolarHBondContact O-N 3.48Å; Y855-R858 PolarHBondContact O-N 3.48Å; Y855-R858 VanDerWaalsContact O-N 3.16Å; Y855-D859 PolarHBondContact O-N 2.83Å
856E56.7Low57.6Low126 Ų126109.1 Ų109.159%0.58957%0.566SS**Hα-helixtrans-62.1-41.9174.7-73174.5-175.100111.6K852 R858 D859 L860K852-E856 PolarHBondContact O-N 3.03Å; K852-E856 VanDerWaalsContact O-N 3.08Å; E856-R858 VanDerWaalsContact C-N 3.31Å; E856-R858 PolarHBondContact O-N 2.79Å; E856-D859 PolarHBondContact O-N 3.04Å; E856-L860 VanDerWaalsContact O-CB 3.25Å; E856-L860 WeakPolarHBondContact O-CB 3.17Å; E856-L860 PolarHBondContact O-N 3.48Å
857A64Low59.7Low56 Ų56106 Ų10646%0.46355%0.55SS..Hα-helixtrans-62.3-34.5173.600000113.1S853 Y855 N861S853-A857 WeakPolarHBondContact O-CB 3.29Å; S853-A857 PolarHBondContact O-N 3.4Å; Y855-A857 PolarHBondContact O-N 3.48Å; A857-N861 VanDerWaalsContact O-CB 3.27Å; A857-N861 WeakPolarHBondContact O-CB 3.31Å; A857-N861 PolarHBondContact O-N 3.11Å
858R71.4Confident62.1Low149 Ų149106.6 Ų106.656%0.56254%0.544SS*.Hα-helixtrans-71.8-43.3173.9-94.7-175.1178.3139.92.2112.9L854 Y855 E856 L860 N861 N862L854-R858 PolarHBondContact O-N 2.76Å; L854-R858 VanDerWaalsContact O-N 3.17Å; Y855-R858 PolarHBondContact O-N 3.48Å; Y855-R858 VanDerWaalsContact O-N 3.16Å; E856-R858 VanDerWaalsContact C-N 3.31Å; E856-R858 PolarHBondContact O-N 2.79Å; R858-L860 VanDerWaalsContact C-N 3.34Å; R858-N861 PolarHBondContact O-N 2.87Å; R858-N862 VanDerWaalsContact O-CG 3.28Å; R858-N862 PolarHBondContact O-N 2.91Å
859D70.4Confident64.4Low79 Ų79101.9 Ų101.942%0.42253%0.526SS..Hα-helixtrans-64.6-40.7176.3-176.560.8000111.1Y855 E856 N862 K863Y855-D859 PolarHBondContact O-N 2.83Å; E856-D859 PolarHBondContact O-N 3.04Å; D859-N862 PolarHBondContact O-N 3.3Å; D859-K863 WeakPolarHBondContact O-CB 3.43Å; D859-K863 WeakPolarHBondContact O-CG 3.47Å; D859-K863 PolarHBondContact O-N 3.16Å; D859-K863 WeakPolarHBondContact OD2-CE 3.32Å; D859-K863 IonicContact OD2-NZ 2.64Å; D859-K863 PolarHBondContact OD2-NZ 3.08Å
860L71.7Confident66.5Low105 Ų10599.6 Ų99.655%0.5551%0.51SS..Hα-helixtrans-61.6-43.7172.5-163.675.1000111.5E856 R858 K863 I864E856-L860 VanDerWaalsContact O-CB 3.25Å; E856-L860 WeakPolarHBondContact O-CB 3.17Å; E856-L860 PolarHBondContact O-N 3.48Å; R858-L860 VanDerWaalsContact C-N 3.34Å; L860-K863 PolarHBondContact O-N 2.71Å; L860-I864 HydrophobicContact CG-CD1 4.23Å; L860-I864 VanDerWaalsContact O-CG1 3.27Å; L860-I864 WeakPolarHBondContact O-CG1 3.38Å; L860-I864 PolarHBondContact O-N 3.36Å
861N78.5Confident68.4Low86 Ų8698.1 Ų98.146%0.4650%0.503SS..Hα-helixtrans-65.2-37.9176.3-171.188.8000112.6A857 R858 I864 I865A857-N861 VanDerWaalsContact O-CB 3.27Å; A857-N861 WeakPolarHBondContact O-CB 3.31Å; A857-N861 PolarHBondContact O-N 3.11Å; R858-N861 PolarHBondContact O-N 2.87Å; N861-I864 PolarHBondContact O-N 3.09Å; N861-I865 WeakPolarHBondContact ND2-CD1 3.29Å; N861-I865 WeakPolarHBondContact O-CG1 3.28Å; N861-I865 PolarHBondContact O-N 3.42Å
862N76.8Confident70.2Confident94 Ų9496.8 Ų96.850%0.50350%0.502SS..Hα-helixtrans-66.1-40.3173.8-71.5-17.1000111.5R858 D859 I865 T866R858-N862 VanDerWaalsContact O-CG 3.28Å; R858-N862 PolarHBondContact O-N 2.91Å; D859-N862 PolarHBondContact O-N 3.3Å; N862-I865 PolarHBondContact O-N 2.91Å; N862-T866 WeakPolarHBondContact O-CB 3.49Å; N862-T866 PolarHBondContact O-N 2.83Å; N862-T866 PolarHBondContact O-OG1 3.22Å
863K77.8Confident71.8Confident114 Ų11493.5 Ų93.550%0.49650%0.495SS..Hα-helixtrans-62.7-42.2172-79166.7176.6157.90111.9D859 L860 T866 L867D859-K863 WeakPolarHBondContact O-CB 3.43Å; D859-K863 WeakPolarHBondContact O-CG 3.47Å; D859-K863 PolarHBondContact O-N 3.16Å; D859-K863 WeakPolarHBondContact OD2-CE 3.32Å; D859-K863 IonicContact OD2-NZ 2.64Å; D859-K863 PolarHBondContact OD2-NZ 3.08Å; L860-K863 PolarHBondContact O-N 2.71Å; K863-T866 PolarHBondContact O-N 2.71Å; K863-L867 WeakPolarHBondContact O-CB 3.39Å; K863-L867 VanDerWaalsContact O-CG 3.28Å; K863-L867 WeakPolarHBondContact O-CG 3.36Å; K863-L867 PolarHBondContact O-N 2.65Å
864I78.2Confident73Confident74 Ų7495 Ų9538%0.37950%0.497SS..Hα-helixtrans-60.6-49.3175.4-71.1162.9000110.7L860 N861 T866 L867 E868L860-I864 HydrophobicContact CG-CD1 4.23Å; L860-I864 VanDerWaalsContact O-CG1 3.27Å; L860-I864 WeakPolarHBondContact O-CG1 3.38Å; L860-I864 PolarHBondContact O-N 3.36Å; N861-I864 PolarHBondContact O-N 3.09Å; I864-T866 VanDerWaalsContact C-N 3.27Å; I864-T866 PolarHBondContact O-N 3.32Å; I864-L867 CarbonylContact O-C 3.58Å; I864-L867 PolarHBondContact O-N 2.92Å; I864-E868 HydrophobicContact CG2-CG 4.34Å; I864-E868 WeakPolarHBondContact O-CB 3.02Å; I864-E868 WeakPolarHBondContact O-CG 3.18Å; I864-E868 PolarHBondContact O-N 3.47Å
865I79.7Confident74.3Confident89 Ų8995.9 Ų95.946%0.45650%0.498SS..Hα-helixtrans-60.1-38.2177-68.5167.6000111.5N861 N862 E868 A869N861-I865 WeakPolarHBondContact ND2-CD1 3.29Å; N861-I865 WeakPolarHBondContact O-CG1 3.28Å; N861-I865 PolarHBondContact O-N 3.42Å; N862-I865 PolarHBondContact O-N 2.91Å; I865-E868 PolarHBondContact O-N 2.97Å; I865-A869 PolarHBondContact O-N 3.3Å
866T77.2Confident75.7Confident79 Ų7997.8 Ų97.849%0.48551%0.509SS..Hα-helixtrans-66.4-45176.9-50.20000111N862 K863 I864 E868 A869 E870N862-T866 WeakPolarHBondContact O-CB 3.49Å; N862-T866 PolarHBondContact O-N 2.83Å; N862-T866 PolarHBondContact O-OG1 3.22Å; K863-T866 PolarHBondContact O-N 2.71Å; I864-T866 VanDerWaalsContact C-N 3.27Å; I864-T866 PolarHBondContact O-N 3.32Å; T866-E868 PolarHBondContact O-N 2.95Å; T866-A869 PolarHBondContact O-N 3Å; T866-E870 WeakPolarHBondContact O-CG 3.27Å; T866-E870 PolarHBondContact O-N 2.92Å
867L75.2Confident76.7Confident104 Ų10495.7 Ų95.755%0.54551%0.505SS..Hα-helixtrans-65.9-33.5175.7-71.5168000112.6K863 I864 N871K863-L867 WeakPolarHBondContact O-CB 3.39Å; K863-L867 VanDerWaalsContact O-CG 3.28Å; K863-L867 WeakPolarHBondContact O-CG 3.36Å; K863-L867 PolarHBondContact O-N 2.65Å; I864-L867 CarbonylContact O-C 3.58Å; I864-L867 PolarHBondContact O-N 2.92Å; L867-N871 WeakPolarHBondContact O-CB 3.41Å; L867-N871 PolarHBondContact O-N 2.92Å
868E80.9Confident77.2Confident117 Ų11797.1 Ų97.155%0.54750%0.504SS..Hα-helixtrans-67.5-36.4173.4-75.3178.2162.900111.9I864 I865 T866 S872I864-E868 HydrophobicContact CG2-CG 4.34Å; I864-E868 WeakPolarHBondContact O-CB 3.02Å; I864-E868 WeakPolarHBondContact O-CG 3.18Å; I864-E868 PolarHBondContact O-N 3.47Å; I865-E868 PolarHBondContact O-N 2.97Å; T866-E868 PolarHBondContact O-N 2.95Å; E868-S872 VanDerWaalsContact O-CB 3.32Å; E868-S872 WeakPolarHBondContact O-CB 3.49Å; E868-S872 PolarHBondContact O-N 3.1Å; E868-S872 PolarHBondContact O-OG 3.16Å
869A79.3Confident77.5Confident55 Ų5593.3 Ų93.346%0.45550%0.497SS..Hα-helixtrans-70.9-41.1173.500000112.5I865 T866 S872 T873I865-A869 PolarHBondContact O-N 3.3Å; T866-A869 PolarHBondContact O-N 3Å; A869-S872 PolarHBondContact O-N 3.47Å; A869-T873 PolarHBondContact O-N 3.47Å; A869-T873 PolarHBondContact O-OG1 2.84Å
870E77.2Confident77.8Confident104 Ų10493.6 Ų93.649%0.48650%0.498SS..Hα-helixtrans-63.4-42.2172-74.3-178.617600111.6T866 S872 T873 L874T866-E870 WeakPolarHBondContact O-CG 3.27Å; T866-E870 PolarHBondContact O-N 2.92Å; E870-S872 PolarHBondContact O-N 2.82Å; E870-T873 WeakPolarHBondContact CA-OG1 3.37Å; E870-T873 PolarHBondContact O-N 3.1Å; E870-T873 PolarHBondContact O-OG1 2.88Å; E870-L874 WeakPolarHBondContact O-CB 3.43Å; E870-L874 WeakPolarHBondContact O-CG 3.45Å; E870-L874 PolarHBondContact O-N 3.13Å
871N78.2Confident77.7Confident95 Ų9593.2 Ų93.251%0.50850%0.496SS..Hα-helixtrans-67.1-36.7176.5-1649.8000111.5L867 L874 Q875L867-N871 WeakPolarHBondContact O-CB 3.41Å; L867-N871 PolarHBondContact O-N 2.92Å; N871-L874 PolarHBondContact O-N 2.68Å; N871-Q875 WeakPolarHBondContact O-CB 3.48Å; N871-Q875 WeakPolarHBondContact O-CG 3.34Å; N871-Q875 PolarHBondContact O-N 2.9Å
872S81.9Confident77.3Confident80 Ų8093.4 Ų93.456%0.55950%0.497SS*.Hα-helixtrans-66.4-37.2173.9-61.80000112.7E868 A869 E870 K876E868-S872 VanDerWaalsContact O-CB 3.32Å; E868-S872 WeakPolarHBondContact O-CB 3.49Å; E868-S872 PolarHBondContact O-N 3.1Å; E868-S872 PolarHBondContact O-OG 3.16Å; A869-S872 PolarHBondContact O-N 3.47Å; E870-S872 PolarHBondContact O-N 2.82Å; S872-K876 PolarHBondContact O-N 3.5Å; S872-K876 VanDerWaalsContact O-N 3.11Å
873T79.5Confident77.1Confident84 Ų8492.5 Ų92.552%0.51549%0.492SS..Hα-helixtrans-73.3-38.3174.243.10000112.2A869 E870 K876 V877A869-T873 PolarHBondContact O-N 3.47Å; A869-T873 PolarHBondContact O-OG1 2.84Å; E870-T873 WeakPolarHBondContact CA-OG1 3.37Å; E870-T873 PolarHBondContact O-N 3.1Å; E870-T873 PolarHBondContact O-OG1 2.88Å; T873-K876 WeakPolarHBondContact O-CB 3.39Å; T873-K876 PolarHBondContact O-N 3.1Å; T873-V877 WeakPolarHBondContact O-CG2 3.45Å; T873-V877 PolarHBondContact O-N 3.44Å
874L75.5Confident76.9Confident101 Ų10193 Ų9353%0.52949%0.494SS..Hα-helixtrans-60.7-45.5170.5-77.7167.1000112.1E870 N871 K876 V877 I878E870-L874 WeakPolarHBondContact O-CB 3.43Å; E870-L874 WeakPolarHBondContact O-CG 3.45Å; E870-L874 PolarHBondContact O-N 3.13Å; N871-L874 PolarHBondContact O-N 2.68Å; L874-K876 VanDerWaalsContact C-N 3.3Å; L874-K876 PolarHBondContact O-N 3.28Å; L874-V877 PolarHBondContact O-N 2.94Å; L874-I878 WeakPolarHBondContact O-CB 3.31Å; L874-I878 VanDerWaalsContact O-CG1 3.27Å; L874-I878 WeakPolarHBondContact O-CG1 3.19Å; L874-I878 PolarHBondContact O-N 3.05Å
875Q77.8Confident75.8Confident113 Ų11393.6 Ų93.653%0.52850%0.496SS..Hα-helixtrans-55.9-43.4172.9-78.8-82.3-13.800111.8N871 I878 T879N871-Q875 WeakPolarHBondContact O-CB 3.48Å; N871-Q875 WeakPolarHBondContact O-CG 3.34Å; N871-Q875 PolarHBondContact O-N 2.9Å; Q875-I878 PolarHBondContact O-N 3.31Å; Q875-T879 WeakPolarHBondContact O-CB 3.32Å; Q875-T879 PolarHBondContact O-N 3.03Å; Q875-T879 PolarHBondContact O-OG1 3.13Å
876K82.5Confident74.9Confident150 Ų15096.7 Ų96.765%0.65251%0.506SS*.Hα-helixtrans-64.2-44.3176-168.6177.3-179.9-178.10111.8S872 T873 L874 T879 D880S872-K876 PolarHBondContact O-N 3.5Å; S872-K876 VanDerWaalsContact O-N 3.11Å; T873-K876 WeakPolarHBondContact O-CB 3.39Å; T873-K876 PolarHBondContact O-N 3.1Å; L874-K876 VanDerWaalsContact C-N 3.3Å; L874-K876 PolarHBondContact O-N 3.28Å; K876-T879 PolarHBondContact O-N 2.77Å; K876-D880 WeakPolarHBondContact O-CB 3.5Å; K876-D880 PolarHBondContact O-N 3.06Å
877V76.5Confident73.8Confident82 Ų8298.9 Ų98.950%0.49752%0.519SS..Hα-helixtrans-64.7-40.3176.6170.80000112T873 L874 T879 D880 L881T873-V877 WeakPolarHBondContact O-CG2 3.45Å; T873-V877 PolarHBondContact O-N 3.44Å; L874-V877 PolarHBondContact O-N 2.94Å; V877-T879 VanDerWaalsContact C-N 3.34Å; V877-D880 PolarHBondContact O-N 3.36Å; V877-L881 HydrophobicContact CG1-CD1 4.04Å; V877-L881 WeakPolarHBondContact O-CB 3.38Å; V877-L881 WeakPolarHBondContact O-CG 3.44Å; V877-L881 PolarHBondContact O-N 2.99Å
878I75Confident72.2Confident86 Ų8697.9 Ų97.944%0.44152%0.522SS..Hα-helixtrans-63.4-41.6174.3-70.7165.1000110.4L874 Q875 L881 L882L874-I878 WeakPolarHBondContact O-CB 3.31Å; L874-I878 VanDerWaalsContact O-CG1 3.27Å; L874-I878 WeakPolarHBondContact O-CG1 3.19Å; L874-I878 PolarHBondContact O-N 3.05Å; Q875-I878 PolarHBondContact O-N 3.31Å; I878-L881 PolarHBondContact O-N 3.42Å; I878-L882 HydrophobicContact CG2-CD1 3.9Å; I878-L882 HydrophobicContact CG2-CG 4.41Å; I878-L882 WeakPolarHBondContact O-CB 3.43Å; I878-L882 VanDerWaalsContact O-CG 3.28Å; I878-L882 WeakPolarHBondContact O-CG 3.23Å; I878-L882 PolarHBondContact O-N 3.4Å
879T78Confident70Confident69 Ų6995.5 Ų95.542%0.42353%0.528SS..Hα-helixtrans-64.4-46.3176.1-52.80000111.2Q875 K876 V877 L881 L882 D883Q875-T879 WeakPolarHBondContact O-CB 3.32Å; Q875-T879 PolarHBondContact O-N 3.03Å; Q875-T879 PolarHBondContact O-OG1 3.13Å; K876-T879 PolarHBondContact O-N 2.77Å; V877-T879 VanDerWaalsContact C-N 3.34Å; T879-L881 VanDerWaalsContact C-N 3.31Å; T879-L881 PolarHBondContact O-N 3.3Å; T879-L882 PolarHBondContact O-N 2.71Å; T879-D883 PolarHBondContact O-N 3.23Å
880D76Confident68.1Low85 Ų8599.6 Ų99.646%0.45555%0.547SS..Hα-helixtrans-59.6-38.7175.1-114.950.4000112.4K876 V877 K884K876-D880 WeakPolarHBondContact O-CB 3.5Å; K876-D880 PolarHBondContact O-N 3.06Å; V877-D880 PolarHBondContact O-N 3.36Å; D880-K884 WeakPolarHBondContact O-CB 3.13Å; D880-K884 VanDerWaalsContact O-CG 3.25Å; D880-K884 WeakPolarHBondContact O-CG 3.46Å; D880-K884 PolarHBondContact O-N 2.84Å; D880-K884 IonicContact OD2-NZ 3.17Å
881L69.7Low66Low97 Ų97101.1 Ų101.151%0.50856%0.558SS.*Hα-helixtrans-69.3-45.4175.3-83.8165.9000111.7V877 I878 T879 D883 K884 M885V877-L881 HydrophobicContact CG1-CD1 4.04Å; V877-L881 WeakPolarHBondContact O-CB 3.38Å; V877-L881 WeakPolarHBondContact O-CG 3.44Å; V877-L881 PolarHBondContact O-N 2.99Å; I878-L881 PolarHBondContact O-N 3.42Å; T879-L881 VanDerWaalsContact C-N 3.31Å; T879-L881 PolarHBondContact O-N 3.3Å; L881-D883 VanDerWaalsContact C-N 3.32Å; L881-D883 PolarHBondContact O-N 3.44Å; L881-K884 PolarHBondContact O-N 2.84Å; L881-M885 WeakPolarHBondContact O-CB 3.48Å; L881-M885 VanDerWaalsContact O-CG 3.3Å; L881-M885 WeakPolarHBondContact O-CG 3.17Å; L881-M885 PolarHBondContact O-N 3.07Å
882L71.5Confident63.9Low90 Ų90103.1 Ų103.147%0.47157%0.569SS.*Hα-helixtrans-62.3-39.6176.7-75.1169.8000111.6I878 T879 M885 K886I878-L882 HydrophobicContact CG2-CD1 3.9Å; I878-L882 HydrophobicContact CG2-CG 4.41Å; I878-L882 WeakPolarHBondContact O-CB 3.43Å; I878-L882 VanDerWaalsContact O-CG 3.28Å; I878-L882 WeakPolarHBondContact O-CG 3.23Å; I878-L882 PolarHBondContact O-N 3.4Å; T879-L882 PolarHBondContact O-N 2.71Å; L882-M885 PolarHBondContact O-N 2.94Å; L882-K886 WeakPolarHBondContact O-CG 3.3Å; L882-K886 PolarHBondContact O-N 3.49Å
883D72.8Confident61.8Low75 Ų75108.3 Ų108.340%0.40158%0.584SS.*Hα-helixtrans-73.2-36.5176-75.5-10.9000111.9T879 L881 M885 K886 V887T879-D883 PolarHBondContact O-N 3.23Å; L881-D883 VanDerWaalsContact C-N 3.32Å; L881-D883 PolarHBondContact O-N 3.44Å; D883-M885 VanDerWaalsContact C-N 3.33Å; D883-M885 PolarHBondContact O-N 3.44Å; D883-K886 PolarHBondContact O-N 2.84Å; D883-K886 IonicContact OD1-NZ 2.91Å; D883-K886 PolarHBondContact OD1-NZ 3.44Å; D883-V887 WeakPolarHBondContact O-CB 3.49Å; D883-V887 WeakPolarHBondContact O-CG2 3.22Å; D883-V887 PolarHBondContact O-N 3.11Å
884K71.8Confident59.6Low125 Ų125108.8 Ų108.854%0.54359%0.591SS.*Hα-helixtrans-63.3-36.3169.3-77.8168.7-175.7159.50112.7D880 L881 V887 S888D880-K884 WeakPolarHBondContact O-CB 3.13Å; D880-K884 VanDerWaalsContact O-CG 3.25Å; D880-K884 WeakPolarHBondContact O-CG 3.46Å; D880-K884 PolarHBondContact O-N 2.84Å; D880-K884 IonicContact OD2-NZ 3.17Å; L881-K884 PolarHBondContact O-N 2.84Å; K884-V887 PolarHBondContact O-N 2.75Å; K884-S888 WeakPolarHBondContact O-CB 3.18Å; K884-S888 PolarHBondContact O-N 3.16Å; K884-S888 PolarHBondContact O-OG 2.86Å
885M57Low57.5Low85 Ų85111 Ų11142%0.41960%0.603SS.*Hα-helixtrans-68.4-36.5173.9-74.3179.469.900112.1L881 L882 D883 L926L881-M885 WeakPolarHBondContact O-CB 3.48Å; L881-M885 VanDerWaalsContact O-CG 3.3Å; L881-M885 WeakPolarHBondContact O-CG 3.17Å; L881-M885 PolarHBondContact O-N 3.07Å; L882-M885 PolarHBondContact O-N 2.94Å; D883-M885 VanDerWaalsContact C-N 3.33Å; D883-M885 PolarHBondContact O-N 3.44Å; M885-L926 HydrophobicContact CE-CD1 3.9Å
886K59.7Low55.4Low154 Ų154114.5 Ų114.567%0.6762%0.619SS**Hα-helixtrans-68.5-31.9171-70.2170.5-160.9154.30113.1L882 D883L882-K886 WeakPolarHBondContact O-CG 3.3Å; L882-K886 PolarHBondContact O-N 3.49Å; D883-K886 PolarHBondContact O-N 2.84Å; D883-K886 IonicContact OD1-NZ 2.91Å; D883-K886 PolarHBondContact OD1-NZ 3.44Å
887V53.3Low53.1Low125 Ų125115 Ų11576%0.75863%0.627SS**Hα-helixtrans-84.9-24.4-176.4171.10000112.9D883 K884 G889D883-V887 WeakPolarHBondContact O-CB 3.49Å; D883-V887 WeakPolarHBondContact O-CG2 3.22Å; D883-V887 PolarHBondContact O-N 3.11Å; K884-V887 PolarHBondContact O-N 2.75Å; V887-G889 VanDerWaalsContact C-N 3.28Å; V887-G889 PolarHBondContact O-N 3.46Å
888S42.5Very low51.4Low84 Ų84116.6 Ų116.659%0.58764%0.642SS**  trans-88.740.6-177.750.80000114.8K884 V890K884-S888 WeakPolarHBondContact O-CB 3.18Å; K884-S888 PolarHBondContact O-N 3.16Å; K884-S888 PolarHBondContact O-OG 2.86Å; S888-V890 VanDerWaalsContact C-N 3.34Å; S888-V890 PolarHBondContact O-N 2.78Å
889G34.9Very low49.3Very low67 Ų67124.8 Ų124.869%0.69167%0.668SS**  trans-72.578170.300000113.1V887V887-G889 VanDerWaalsContact C-N 3.28Å; V887-G889 PolarHBondContact O-N 3.46Å
890V39Very low47.1Very low140 Ų140129.9 Ų129.985%0.84869%0.686SS**  trans-117.397.6170.7-176.50000110.8S888S888-V890 VanDerWaalsContact C-N 3.34Å; S888-V890 PolarHBondContact O-N 2.78Å
891L33.9Very low45.1Very low136 Ų136133.3 Ų133.371%0.71270%0.703SS**  trans-79.6152.4174.2-81.2149000112.5
892N34.2Very low43.3Very low138 Ų138135.9 Ų135.974%0.73872%0.716SS**  trans69.796.9148-56.9-18.7000120.5
893Q36.4Very low41.4Very low188 Ų188139.7 Ų139.788%0.87973%0.731SS**  trans-163.288.6138.8-105.8161.947.500107.3
894S33.4Very low39.6Very low95 Ų95141.9 Ų141.966%0.66475%0.747SS**  78102.27672.60000114.4
895D32.8Very low37.7Very low147 Ų147144.5 Ų144.579%0.78676%0.762SS**  trans50.1104.5142.6-52.4-28.6000120.1
896H32.3Very low36.6Very low187 Ų187146.3 Ų146.387%0.86678%0.779SS**  -177.1154.6122.9-90.2-61.8000109.2
897I34.3Very low35.3Very low160 Ų160146.4 Ų146.482%0.82179%0.787SS**SBendtrans68.293.9-179.7-37.5163.1000112.5
898S41Very low34.5Very low115 Ų115145.5 Ų145.580%0.80479%0.786SS**  -169.959.883.7-610000112E900S898-E900 PolarHBondContact O-N 3.3Å
899R30.5Very low34.1Very low259 Ų259146 Ų14698%0.97779%0.79SS**  trans-84.893.1167.6-98.2-170.2-178.7167.41.8109.7
900E32.6Very low34Very low175 Ų175150.6 Ų150.682%0.81880%0.797SS**  trans-151.2131.3158-133.6166.3-167.500109.6S898S898-E900 PolarHBondContact O-N 3.3Å
901I32.9Very low33.8Very low157 Ų157148.8 Ų148.881%0.80579%0.791SS**SBendtrans65.7101.3173-47.4167.3000112.8
902I33.4Very low33.6Very low151 Ų151150.1 Ų150.177%0.77480%0.797SS**  cis-140.5150.934.7-53.5175.5000111.1
903H31.6Very low33.5Very low170 Ų170148.2 Ų148.279%0.78780%0.801SS**  trans-48.5157.8165.8-57.4-95.2000112.6
904T33.6Very low33.3Very low121 Ų121144.8 Ų144.874%0.74280%0.795SS**  cis-162.8142.842.3-34.40000111.5
905E31.6Very low33.2Very low181 Ų181150.5 Ų150.585%0.84680%0.804SS**  trans23.9131.4164.2-66.8-177.6145.300123.6
906P34Very low33.3Very low122 Ų122149.6 Ų149.679%0.79280%0.803SS**  trans-100.8165.2167.540.2-33000112.9
907D33.6Very low33.7Very low156 Ų156145.9 Ų145.983%0.83479%0.793SS**  trans-155.8131.9154.5-131.9-17.2000114.8
908S35.3Very low33.9Very low106 Ų106146 Ų14674%0.74179%0.788SS**  trans60.2149.1161.874.70000121.3
909S35.2Very low34Very low95 Ų95148.8 Ų148.866%0.66479%0.789SS**  cis-175.2139.7-3053.40000111.8
910I32.8Very low34.9Very low164 Ų164142.1 Ų142.184%0.84177%0.772SS**  trans83.4126.9141.2-68161.8000122.4
911S33.7Very low35.6Very low102 Ų102138.4 Ų138.471%0.71376%0.755SS**  trans87.889.4145.3-161.10000123.8
912L31.3Very low36.3Very low163 Ų163139.2 Ų139.285%0.85375%0.748SS**  25.4117.2115.9-116.675.3000120.6
913A30.5Very low37.3Very low99 Ų99135.4 Ų135.482%0.81873%0.732SS**  trans-162125.9130.900000109.4
914P32.3Very low38.6Very low116 Ų116133.8 Ų133.875%0.75372%0.724SS**  trans-102.5137-168.336-31.6000113.9
915Y31.7Very low39.9Very low214 Ų214133 Ų13384%0.83971%0.713SS**  trans-162.6105.2157.4-124.9-89.5000114.2V917Y915-V917 PolarHBondContact O-N 2.83Å
916V34.6Very low41.2Very low129 Ų129128.6 Ų128.678%0.78269%0.694SS**SBendtrans50.552.6138.4-159.30000119.8
917V40.5Very low42.8Very low108 Ų108126.4 Ų126.466%0.65568%0.682SS**  trans-132.6-16170.2-1760000115.1Y915 E919Y915-V917 PolarHBondContact O-N 2.83Å; V917-E919 PolarHBondContact O-N 3.28Å
918F40.3Very low44.7Very low162 Ų162122 Ų12271%0.71166%0.663SS**Hα-helixtrans-79.2-8.2-167-84.9-77.4000118
919E41.4Very low46.4Very low175 Ų175120.6 Ų120.682%0.81865%0.65SS**Hα-helixtrans-73.9-32.8-179.2-72.5-175.6158.300113.4V917 T923V917-E919 PolarHBondContact O-N 3.28Å; E919-T923 PolarHBondContact O-N 3.01Å; E919-T923 PolarHBondContact O-OG1 3.15Å
920N49.2Very low48.1Very low118 Ų118120.8 Ų120.863%0.63164%0.643SS**Hα-helixtrans-73.2-37.7175.2-82.79.7000111.8R922 T923 E924N920-R922 PolarHBondContact O-N 3.02Å; N920-T923 WeakPolarHBondContact CA-OG1 3.32Å; N920-T923 PolarHBondContact O-N 2.78Å; N920-T923 PolarHBondContact O-OG1 2.76Å; N920-E924 PolarHBondContact O-N 2.92Å
921Q48.3Very low50Low98 Ų98115.4 Ų115.446%0.45862%0.623SS.*Hα-helixtrans-69.4-34.4-173.1-160.71611700112.5E925Q921-E925 WeakPolarHBondContact O-CB 3.01Å; Q921-E925 VanDerWaalsContact O-CG 3.31Å; Q921-E925 WeakPolarHBondContact O-CG 3.4Å; Q921-E925 PolarHBondContact O-N 3.05Å
922R47.8Very low52Low174 Ų174117.2 Ų117.266%0.65762%0.62SS**Hα-helixtrans-75.2-27.1172.2-88-173.7175.5-179.8-0.1114.2N920 L926N920-R922 PolarHBondContact O-N 3.02Å; R922-L926 WeakPolarHBondContact O-CB 3.3Å; R922-L926 WeakPolarHBondContact O-CG 3.27Å; R922-L926 PolarHBondContact O-N 2.71Å
923T54.3Low53.6Low70 Ų70112.8 Ų112.843%0.42960%0.602SS.*Hα-helixtrans-77.1-32.117345.30000111.3E919 N920 S927E919-T923 PolarHBondContact O-N 3.01Å; E919-T923 PolarHBondContact O-OG1 3.15Å; N920-T923 WeakPolarHBondContact CA-OG1 3.32Å; N920-T923 PolarHBondContact O-N 2.78Å; N920-T923 PolarHBondContact O-OG1 2.76Å; T923-S927 WeakPolarHBondContact O-CB 3.39Å; T923-S927 PolarHBondContact O-N 3.09Å
924E58.8Low55.5Low136 Ų136114.5 Ų114.564%0.63659%0.593SS**Hα-helixtrans-66.5-44165.6-76.1-179.4145.700112.3N920 S927 S928N920-E924 PolarHBondContact O-N 2.92Å; E924-S927 PolarHBondContact O-N 2.71Å; E924-S928 WeakPolarHBondContact O-CB 3.21Å; E924-S928 PolarHBondContact O-N 3.48Å
925E61.8Low57.7Low106 Ų106114.4 Ų114.450%0.49558%0.583SS.*Hα-helixtrans-58.8-49.9173.4-78.1171174.700111.2Q921 S927 S928 V929Q921-E925 WeakPolarHBondContact O-CB 3.01Å; Q921-E925 VanDerWaalsContact O-CG 3.31Å; Q921-E925 WeakPolarHBondContact O-CG 3.4Å; Q921-E925 PolarHBondContact O-N 3.05Å; E925-S927 VanDerWaalsContact C-N 3.33Å; E925-S927 PolarHBondContact O-N 3.45Å; E925-S928 PolarHBondContact O-N 2.69Å; E925-S928 PolarHBondContact O-OG 2.71Å; E925-V929 WeakPolarHBondContact O-CG2 3.45Å; E925-V929 PolarHBondContact O-N 3.37Å
926L57.6Low59.7Low88 Ų88110.3 Ų110.346%0.46157%0.569SS.*Hα-helixtrans-63.4-36.1176.2-82.7164.6000112.7M885 R922 V929 L930M885-L926 HydrophobicContact CE-CD1 3.9Å; R922-L926 WeakPolarHBondContact O-CB 3.3Å; R922-L926 WeakPolarHBondContact O-CG 3.27Å; R922-L926 PolarHBondContact O-N 2.71Å; L926-V929 PolarHBondContact O-N 2.71Å; L926-L930 WeakPolarHBondContact O-CB 3.19Å; L926-L930 PolarHBondContact O-N 2.86Å
927S67.6Low61.4Low75 Ų75108.9 Ų108.952%0.52456%0.557SS.*Hα-helixtrans-66.1-40.2173.7-175.90000111.5T923 E924 E925 L930 A931T923-S927 WeakPolarHBondContact O-CB 3.39Å; T923-S927 PolarHBondContact O-N 3.09Å; E924-S927 PolarHBondContact O-N 2.71Å; E925-S927 VanDerWaalsContact C-N 3.33Å; E925-S927 PolarHBondContact O-N 3.45Å; S927-L930 PolarHBondContact O-N 3.42Å; S927-A931 VanDerWaalsContact O-CB 3.3Å; S927-A931 WeakPolarHBondContact O-CB 3.44Å; S927-A931 PolarHBondContact O-N 2.89Å
928S73.4Confident63Low64 Ų64111.6 Ų111.645%0.44856%0.557SS.*Hα-helixtrans-69.1-36.1175.880.10000112.6E924 E925 A931 Q932E924-S928 WeakPolarHBondContact O-CB 3.21Å; E924-S928 PolarHBondContact O-N 3.48Å; E925-S928 PolarHBondContact O-N 2.69Å; E925-S928 PolarHBondContact O-OG 2.71Å; S928-A931 PolarHBondContact O-N 2.92Å; S928-Q932 WeakPolarHBondContact O-CB 3.31Å; S928-Q932 PolarHBondContact O-N 3.25Å
929V70.6Confident64.7Low77 Ų77108.2 Ų108.247%0.46754%0.543SS..Hα-helixtrans-69.5-41.4174.2169.80000110.6E925 L926 Q932 C933E925-V929 WeakPolarHBondContact O-CG2 3.45Å; E925-V929 PolarHBondContact O-N 3.37Å; L926-V929 PolarHBondContact O-N 2.71Å; V929-Q932 PolarHBondContact O-N 2.9Å; V929-C933 WeakPolarHBondContact O-CB 3.43Å; V929-C933 PolarHBondContact O-N 2.81Å
930L70.9Confident66.1Low99 Ų99105.3 Ų105.352%0.51853%0.533SS..Hα-helixtrans-63.4-41.8172.2-87.7162000111.8L926 S927 C933 Q934L926-L930 WeakPolarHBondContact O-CB 3.19Å; L926-L930 PolarHBondContact O-N 2.86Å; S927-L930 PolarHBondContact O-N 3.42Å; L930-C933 PolarHBondContact O-N 3.01Å; L930-Q934 WeakPolarHBondContact O-CB 3.48Å; L930-Q934 WeakPolarHBondContact O-CG 3.18Å; L930-Q934 PolarHBondContact O-N 3.48Å
931A73.5Confident67.3Low50 Ų50108.5 Ų108.541%0.41354%0.536SS..Hα-helixtrans-63.5-42.4174.500000111.9S927 S928 Q934 Q935S927-A931 VanDerWaalsContact O-CB 3.3Å; S927-A931 WeakPolarHBondContact O-CB 3.44Å; S927-A931 PolarHBondContact O-N 2.89Å; S928-A931 PolarHBondContact O-N 2.92Å; A931-Q934 PolarHBondContact O-N 2.93Å; A931-Q935 VanDerWaalsContact O-CB 3.3Å; A931-Q935 WeakPolarHBondContact O-CB 2.94Å; A931-Q935 PolarHBondContact O-N 3.06Å
932Q75.4Confident68.5Low141 Ų141107.7 Ų107.766%0.65953%0.532SS*.Hα-helixtrans-63.7-39.5172.2-82.4-169.5-5.900112.6S928 V929 Q935 K936S928-Q932 WeakPolarHBondContact O-CB 3.31Å; S928-Q932 PolarHBondContact O-N 3.25Å; V929-Q932 PolarHBondContact O-N 2.9Å; Q932-Q935 PolarHBondContact O-N 3.46Å; Q932-K936 WeakPolarHBondContact O-CB 3.3Å; Q932-K936 PolarHBondContact O-N 3.37Å
933C65.1Low69.6Low70 Ų70104.7 Ų104.747%0.47353%0.526SS..Hα-helixtrans-66.4-37174.3-96.50000112.2V929 L930 N937V929-C933 WeakPolarHBondContact O-CB 3.43Å; V929-C933 PolarHBondContact O-N 2.81Å; L930-C933 PolarHBondContact O-N 3.01Å; C933-N937 VanDerWaalsContact O-CB 3.27Å; C933-N937 WeakPolarHBondContact O-CB 3.3Å; C933-N937 PolarHBondContact O-N 2.81Å; C933-N937 PolarHBondContact O-ND2 3.07Å; C933-N937 VanDerWaalsContact O-ND2 3.16Å
934Q71.4Confident70.1Confident135 Ų135107.1 Ų107.163%0.63153%0.528SS*.Hα-helixtrans-68.5-43.5173.5-75.9178.6-12.100111.6L930 A931 N937 Y938L930-Q934 WeakPolarHBondContact O-CB 3.48Å; L930-Q934 WeakPolarHBondContact O-CG 3.18Å; L930-Q934 PolarHBondContact O-N 3.48Å; A931-Q934 PolarHBondContact O-N 2.93Å; Q934-N937 CarbonylContact O-C 3.56Å; Q934-N937 PolarHBondContact O-N 3.41Å; Q934-Y938 WeakPolarHBondContact O-CB 3.45Å; Q934-Y938 PolarHBondContact O-N 2.79Å
935Q77.3Confident70.5Confident114 Ų114103.1 Ų103.153%0.53352%0.515SS..Hα-helixtrans-57.8-51173.8-174.972.927.800110.9A931 Q932 N937 Y938 E939A931-Q935 VanDerWaalsContact O-CB 3.3Å; A931-Q935 WeakPolarHBondContact O-CB 2.94Å; A931-Q935 PolarHBondContact O-N 3.06Å; Q932-Q935 PolarHBondContact O-N 3.46Å; Q935-N937 VanDerWaalsContact C-N 3.34Å; Q935-N937 PolarHBondContact O-N 3.39Å; Q935-Y938 WeakPolarHBondContact O-CB 3.44Å; Q935-Y938 PolarHBondContact O-N 3.01Å; Q935-Y938 VanDerWaalsContact O-N 3.11Å; Q935-E939 PolarHBondContact NE2-OE1 3.43Å; Q935-E939 WeakPolarHBondContact O-CG 3.19Å; Q935-E939 PolarHBondContact O-N 2.74Å
936K74.3Confident70.7Confident128 Ų128104.6 Ų104.656%0.55752%0.516SS*.Hα-helixtrans-61.8-37.7175-95.1-174.7171.2177.50113.3Q932 Y938 L940Q932-K936 WeakPolarHBondContact O-CB 3.3Å; Q932-K936 PolarHBondContact O-N 3.37Å; K936-Y938 VanDerWaalsContact C-N 3.33Å; K936-L940 VanDerWaalsContact O-CB 3.28Å; K936-L940 WeakPolarHBondContact O-CB 3.4Å; K936-L940 PolarHBondContact O-N 3.23Å
937N70.8Confident70.6Confident99 Ų99104.8 Ų104.853%0.52952%0.517SS..Hα-helixtrans-69.1-31.5174.3-87.4-41.6000112.3C933 Q934 Q935 R941C933-N937 VanDerWaalsContact O-CB 3.27Å; C933-N937 WeakPolarHBondContact O-CB 3.3Å; C933-N937 PolarHBondContact O-N 2.81Å; C933-N937 PolarHBondContact O-ND2 3.07Å; C933-N937 VanDerWaalsContact O-ND2 3.16Å; Q934-N937 CarbonylContact O-C 3.56Å; Q934-N937 PolarHBondContact O-N 3.41Å; Q935-N937 VanDerWaalsContact C-N 3.34Å; Q935-N937 PolarHBondContact O-N 3.39Å; N937-R941 WeakPolarHBondContact O-CB 3.41Å; N937-R941 PolarHBondContact O-N 2.88Å
938Y74.4Confident70.2Confident164 Ų164107.6 Ų107.664%0.64352%0.516SS*.Hα-helixtrans-70.6-45.1173.6-162.6-83.5000110.6Q934 Q935 K936 R941 E942Q934-Y938 WeakPolarHBondContact O-CB 3.45Å; Q934-Y938 PolarHBondContact O-N 2.79Å; Q935-Y938 WeakPolarHBondContact O-CB 3.44Å; Q935-Y938 PolarHBondContact O-N 3.01Å; Q935-Y938 VanDerWaalsContact O-N 3.11Å; K936-Y938 VanDerWaalsContact C-N 3.33Å; Y938-R941 CarbonylContact O-C 3.59Å; Y938-R941 PolarHBondContact O-N 3.42Å; Y938-E942 WeakPolarHBondContact O-CB 3.13Å; Y938-E942 PolarHBondContact O-N 3.19Å
939E75.7Confident69.5Low92 Ų92110.7 Ų110.743%0.4353%0.527SS..Hα-helixtrans-60.3-46.9173-72.9167.2-167.500111.7Q935 R941 E942 Q943Q935-E939 PolarHBondContact NE2-OE1 3.43Å; Q935-E939 WeakPolarHBondContact O-CG 3.19Å; Q935-E939 PolarHBondContact O-N 2.74Å; E939-R941 VanDerWaalsContact C-N 3.34Å; E939-R941 PolarHBondContact O-N 2.74Å; E939-E942 PolarHBondContact O-N 2.81Å; E939-Q943 WeakPolarHBondContact O-CB 3.17Å; E939-Q943 VanDerWaalsContact O-CG 3.25Å; E939-Q943 WeakPolarHBondContact O-CG 3.46Å; E939-Q943 PolarHBondContact O-N 3.27Å
940L70.9Confident68.6Low114 Ų114113.9 Ų113.960%0.59754%0.541SS*.Hα-helixtrans-61.4-39.9173.6-90.6157.3000112.2K936 Y944K936-L940 VanDerWaalsContact O-CB 3.28Å; K936-L940 WeakPolarHBondContact O-CB 3.4Å; K936-L940 PolarHBondContact O-N 3.23Å; L940-Y944 WeakPolarHBondContact O-CB 3.23Å; L940-Y944 PolarHBondContact O-N 3Å
941R73Confident67.3Low184 Ų184115.7 Ų115.769%0.69455%0.551SS**Hα-helixtrans-70.8-33.9176.9-171.2-178.1-65.6-155.6-0.9111.9N937 Y938 E939 S945N937-R941 WeakPolarHBondContact O-CB 3.41Å; N937-R941 PolarHBondContact O-N 2.88Å; Y938-R941 CarbonylContact O-C 3.59Å; Y938-R941 PolarHBondContact O-N 3.42Å; E939-R941 VanDerWaalsContact C-N 3.34Å; E939-R941 PolarHBondContact O-N 2.74Å; R941-S945 VanDerWaalsContact O-CB 3.27Å; R941-S945 WeakPolarHBondContact O-CB 3.47Å; R941-S945 PolarHBondContact O-N 2.76Å; R941-S945 PolarHBondContact O-OG 3.31Å
942E73.6Confident65.8Low82 Ų82116.9 Ų116.938%0.38356%0.556SS.*Hα-helixtrans-69.5-45.3173.6-163-166150.300110.5Y938 E939 Y944 S945 R946Y938-E942 WeakPolarHBondContact O-CB 3.13Å; Y938-E942 PolarHBondContact O-N 3.19Å; E939-E942 PolarHBondContact O-N 2.81Å; E942-Y944 PolarHBondContact O-N 2.98Å; E942-S945 CarbonylContact O-C 3.58Å; E942-S945 PolarHBondContact O-N 3.19Å; E942-S945 VanDerWaalsContact O-N 3.15Å; E942-R946 WeakPolarHBondContact O-CB 3.21Å; E942-R946 VanDerWaalsContact O-CG 3.31Å; E942-R946 WeakPolarHBondContact O-CG 3.3Å; E942-R946 PolarHBondContact O-N 2.97Å; E942-R946 IonicContact OE1-CZ 2.81Å; E942-R946 IonicContact OE1-NE 3.03Å; E942-R946 PolarHBondContact OE1-NE 3.24Å; E942-R946 IonicContact OE1-NH2 3.99Å; E942-R946 PolarHBondContact OE1-NH2 3.04Å
943Q70.7Confident63.9Low111 Ų111116.4 Ų116.452%0.51956%0.563SS.*Hα-helixtrans-61.4-42.1173.3-67.6-66.9-4.300111.6E939 S945 R946 L947E939-Q943 WeakPolarHBondContact O-CB 3.17Å; E939-Q943 VanDerWaalsContact O-CG 3.25Å; E939-Q943 WeakPolarHBondContact O-CG 3.46Å; E939-Q943 PolarHBondContact O-N 3.27Å; Q943-S945 VanDerWaalsContact C-N 3.33Å; Q943-S945 PolarHBondContact O-N 3.18Å; Q943-R946 PolarHBondContact O-N 2.78Å; Q943-L947 WeakPolarHBondContact O-CB 3.19Å; Q943-L947 PolarHBondContact O-N 2.73Å
944Y65.1Low62.5Low120 Ų120118.7 Ų118.747%0.47158%0.577SS.*Hα-helixtrans-65.6-34.8173.8-167.5-102.6000112.1L940 E942 R948L940-Y944 WeakPolarHBondContact O-CB 3.23Å; L940-Y944 PolarHBondContact O-N 3Å; E942-Y944 PolarHBondContact O-N 2.98Å; Y944-R948 WeakPolarHBondContact O-CB 3.45Å; Y944-R948 PolarHBondContact O-N 2.76Å
945S66.5Low60.8Low53 Ų53116.8 Ų116.837%0.37158%0.579SS.*Hα-helixtrans-71.3-38.9174.5-58.50000111.7R941 E942 Q943 R948 N949R941-S945 VanDerWaalsContact O-CB 3.27Å; R941-S945 WeakPolarHBondContact O-CB 3.47Å; R941-S945 PolarHBondContact O-N 2.76Å; R941-S945 PolarHBondContact O-OG 3.31Å; E942-S945 CarbonylContact O-C 3.58Å; E942-S945 PolarHBondContact O-N 3.19Å; E942-S945 VanDerWaalsContact O-N 3.15Å; Q943-S945 VanDerWaalsContact C-N 3.33Å; Q943-S945 PolarHBondContact O-N 3.18Å; S945-R948 PolarHBondContact O-N 3.12Å; S945-N949 VanDerWaalsContact O-CB 3.27Å; S945-N949 WeakPolarHBondContact O-CB 3.47Å; S945-N949 PolarHBondContact O-N 3.05Å; S945-N949 PolarHBondContact O-ND2 2.88Å; S945-N949 PolarHBondContact O-OD1 3.46Å
946R67.4Low58.7Low137 Ų137115.1 Ų115.152%0.51757%0.571SS.*Hα-helixtrans-61.5-47.6171.2-71.2171.9-179-1404.5110.7E942 Q943 N949 L950E942-R946 WeakPolarHBondContact O-CB 3.21Å; E942-R946 VanDerWaalsContact O-CG 3.31Å; E942-R946 WeakPolarHBondContact O-CG 3.3Å; E942-R946 PolarHBondContact O-N 2.97Å; E942-R946 IonicContact OE1-CZ 2.81Å; E942-R946 IonicContact OE1-NE 3.03Å; E942-R946 PolarHBondContact OE1-NE 3.24Å; E942-R946 IonicContact OE1-NH2 3.99Å; E942-R946 PolarHBondContact OE1-NH2 3.04Å; Q943-R946 PolarHBondContact O-N 2.78Å; R946-N949 PolarHBondContact O-N 3.2Å; R946-L950 VanDerWaalsContact O-CG 3.31Å; R946-L950 WeakPolarHBondContact O-CG 3.31Å; R946-L950 PolarHBondContact O-N 3.35Å
947L54.2Low56.8Low92 Ų92111.7 Ų111.748%0.48256%0.558SS.*Hα-helixtrans-60.6-44.4173.4-89156.9000112.6Q943 N949 L950 L951Q943-L947 WeakPolarHBondContact O-CB 3.19Å; Q943-L947 PolarHBondContact O-N 2.73Å; L947-N949 VanDerWaalsContact C-N 3.33Å; L947-N949 PolarHBondContact O-N 3Å; L947-L950 WeakPolarHBondContact O-CB 3.42Å; L947-L950 PolarHBondContact O-N 3.45Å; L947-L951 WeakPolarHBondContact O-CB 3.49Å; L947-L951 VanDerWaalsContact O-CG 3.28Å; L947-L951 WeakPolarHBondContact O-CG 3.44Å; L947-L951 PolarHBondContact O-N 3.08Å
948R59.5Low55.2Low134 Ų134116.3 Ų116.351%0.50658%0.577SS.*Hα-helixtrans-64.8-38.2178-164.2-179.9-151.8161.114.6111.8Y944 S945 L951 S952Y944-R948 WeakPolarHBondContact O-CB 3.45Å; Y944-R948 PolarHBondContact O-N 2.76Å; S945-R948 PolarHBondContact O-N 3.12Å; R948-L951 PolarHBondContact O-N 3.36Å; R948-S952 WeakPolarHBondContact O-CB 3.37Å; R948-S952 PolarHBondContact O-N 2.94Å; R948-S952 PolarHBondContact O-OG 2.89Å
949N59.5Low53.1Low128 Ų128115 Ų11568%0.68458%0.581SS**Hα-helixtrans-70.6-30.7175-69.2-8.7000112.4S945 R946 L947S945-N949 VanDerWaalsContact O-CB 3.27Å; S945-N949 WeakPolarHBondContact O-CB 3.47Å; S945-N949 PolarHBondContact O-N 3.05Å; S945-N949 PolarHBondContact O-ND2 2.88Å; S945-N949 PolarHBondContact O-OD1 3.46Å; R946-N949 PolarHBondContact O-N 3.2Å; L947-N949 VanDerWaalsContact C-N 3.33Å; L947-N949 PolarHBondContact O-N 3Å
950L50.7Low51Low145 Ų145116.1 Ų116.176%0.75959%0.594SS**Hα-helixtrans-71.5-33.8170.5-74.3164.1000112.4R946 L947R946-L950 VanDerWaalsContact O-CG 3.31Å; R946-L950 WeakPolarHBondContact O-CG 3.31Å; R946-L950 PolarHBondContact O-N 3.35Å; L947-L950 WeakPolarHBondContact O-CB 3.42Å; L947-L950 PolarHBondContact O-N 3.45Å
951L43.6Very low49.3Very low137 Ų137118 Ų11872%0.71761%0.605SS**Hα-helixtrans-90.5-8.3-176.7-68.7165.8000114.5L947 R948L947-L951 WeakPolarHBondContact O-CB 3.49Å; L947-L951 VanDerWaalsContact O-CG 3.28Å; L947-L951 WeakPolarHBondContact O-CG 3.44Å; L947-L951 PolarHBondContact O-N 3.08Å; R948-L951 PolarHBondContact O-N 3.36Å
952S42.8Very low47.5Very low74 Ų74114.6 Ų114.652%0.51760%0.599SS.*SBendtrans-117.984.9-175.4-47.80000111.6R948R948-S952 WeakPolarHBondContact O-CB 3.37Å; R948-S952 PolarHBondContact O-N 2.94Å; R948-S952 PolarHBondContact O-OG 2.89Å
953T35.4Very low45.7Very low131 Ų131114.2 Ų114.280%0.80462%0.616SS**  trans-55.5158.4179.455.70000114.5
954P36.5Very low44.1Very low118 Ų118113 Ų11377%0.76661%0.614SS**  cis-136145.8-40.936-20.8000111.9
955S35.6Very low42.7Very low96 Ų96110.5 Ų110.567%0.67162%0.618SS**  trans-14891.7171.664.60000117.3K391K391-S955 PolarHBondContact NZ-O 3.45Å
956H33.4Very low41.3Very low79 Ų79115.5 Ų115.537%0.36664%0.635SS.*  trans74.2146.2131.9-142.147.6000118.8F387 V388 K391F387-H956 AromaticContact CD1-CD2 3.51Å; F387-H956 AromaticContact CD1-NE2 3.45Å; F387-H956 WeakPolarHBondContact CD1-NE2 3.14Å; F387-H956 AromaticContact CE1-CD2 3.47Å; F387-H956 VanDerWaalsContact CE1-CD2 3.47Å; F387-H956 WeakPolarHBondContact CE1-CD2 3.47Å; F387-H956 AromaticContact CE1-NE2 3.91Å; V388-H956 VanDerWaalsContact CG2-CE1 3.43Å; V388-H956 WeakPolarHBondContact CG2-CE1 3.23Å; V388-H956 WeakPolarHBondContact CG2-NE2 3.4Å; K391-H956 HydrophobicContact CD-CB 3.89Å; K391-H956 PolarHBondContact NZ-O 2.83Å
957N32.8Very low40Very low56 Ų56114.4 Ų114.430%0.29964%0.639SS.*  trans69.877.7175.2-60.916.4000117.5K391K391-N957 HydrophobicContact CD-CB 4.33Å; K391-N957 WeakPolarHBondContact CG-ND2 3.47Å
958Q38.3Very low39.4Very low195 Ų195113.9 Ų113.991%0.91164%0.643SS**  -164139.9104.9-102.6169.313.700110.9
959N30.9Very low38.5Very low138 Ų138112.9 Ų112.974%0.73865%0.648SS**  trans-67.4153.5-177.2-62.4-36.1000112.3
960V31.6Very low37.7Very low115 Ų115110.1 Ų110.170%0.69763%0.63SS**SBendtrans84.1129.3163.5-166.40000116.4I962V960-I962 PolarHBondContact O-N 3.19Å
961D34.1Very low37.3Very low154 Ų154111.1 Ų111.182%0.82463%0.631SS**SBendtrans68.6-1.7162.8-66.9-15.1000123.6G963D961-G963 PolarHBondContact O-N 3.22Å
962I35.6Very low37.5Very low112 Ų112108.1 Ų108.157%0.57461%0.614SS**  trans-103.136-176.7-37.8-174.9000114V960 A965 E966V960-I962 PolarHBondContact O-N 3.19Å; I962-A965 HydrophobicContact CG2-CB 4.26Å; I962-E966 HydrophobicContact CG2-CG 3.9Å
963G34.9Very low37.8Very low73 Ų73106.5 Ų106.575%0.75360%0.6SS**SBendtrans-79.6-18.7174.500000115.2D961D961-G963 PolarHBondContact O-N 3.22Å
964N37.8Very low38.5Very low87 Ų87102.2 Ų102.247%0.46557%0.57SS.*SBendtrans-117.9-9.1-168.4-76.7-13.6000115.1T1104N964-T1104 VanDerWaalsContact ND2-CG2 3.32Å; N964-T1104 WeakPolarHBondContact ND2-CG2 3.37Å; N964-T1104 PolarHBondContact ND2-OG1 3.34Å; N964-T1104 WeakPolarHBondContact OD1-CG2 3.43Å
965A36.1Very low39.3Very low67 Ų6799.6 Ų99.655%0.55455%0.553SS**SBendtrans-106.6-17.2-161.400000115.9I962 S968I962-A965 HydrophobicContact CG2-CB 4.26Å; A965-S968 PolarHBondContact O-OG 3.45Å
966E37.8Very low39.9Very low158 Ų15896.3 Ų96.374%0.73853%0.527SS*.  trans-111.120-170.9-65.6-169163.200114.8I962 S968I962-E966 HydrophobicContact CG2-CG 3.9Å; E966-S968 PolarHBondContact O-N 3.04Å
967L38.1Very low40.9Very low113 Ų11394.7 Ų94.759%0.59252%0.521SS*.  trans-7442161.8-72.6174000111.8N969 I973L967-N969 PolarHBondContact O-N 2.93Å; L967-I973 HydrophobicContact CB-CD1 3.83Å; L967-I973 HydrophobicContact CD2-CD1 3.77Å; L967-I973 HydrophobicContact CG-CD1 4.27Å
968S41.6Very low41.9Very low82 Ų8296.4 Ų96.457%0.57353%0.525SS*.  trans-83.317.8-170.9-66.30000114.7A965 E966 F970A965-S968 PolarHBondContact O-OG 3.45Å; E966-S968 PolarHBondContact O-N 3.04Å; S968-F970 PolarHBondContact O-N 2.85Å; S968-F970 VanDerWaalsContact O-N 3.09Å
969N42Very low42.3Very low112 Ų11291.5 Ų91.560%0.59950%0.498SS*.  trans-79.854.5148.5-80.8-18.1000109.1L967 E971 I972 I973L967-N969 PolarHBondContact O-N 2.93Å; N969-E971 VanDerWaalsContact C-N 3.25Å; N969-E971 PolarHBondContact O-N 3.33Å; N969-I972 PolarHBondContact O-N 3.35Å; N969-I973 PolarHBondContact O-N 3.42Å; N969-I973 VanDerWaalsContact O-N 3.14Å
970F42.5Very low42.9Very low70 Ų7087.2 Ų87.231%0.30748%0.475SS..Hα-helixtrans-68.7-23.8-159.7-138.8-86.3000112.3S968 H974 N1093 K1096S968-F970 PolarHBondContact O-N 2.85Å; S968-F970 VanDerWaalsContact O-N 3.09Å; F970-H974 WeakPolarHBondContact O-CA 3.48Å; F970-H974 WeakPolarHBondContact O-CB 3.31Å; F970-H974 PolarHBondContact O-N 3.35Å; F970-N1093 WeakPolarHBondContact CE1-OD1 3.49Å; F970-N1093 WeakPolarHBondContact CZ-OD1 3.24Å; F970-K1096 HydrophobicContact CE1-CD 4.4Å; F970-K1096 HydrophobicContact CZ-CD 4.42Å; F970-K1096 VanDerWaalsContact CZ-NZ 3.28Å
971E41.9Very low43.8Very low167 Ų16785.8 Ų85.878%0.7846%0.461SS*.Hα-helixtrans-76.4-40.1176.8-69-179.7133.900113.4N969 H974 T975N969-E971 VanDerWaalsContact C-N 3.25Å; N969-E971 PolarHBondContact O-N 3.33Å; E971-H974 PolarHBondContact O-N 2.95Å; E971-T975 VanDerWaalsContact O-CB 3.3Å; E971-T975 WeakPolarHBondContact O-CB 3.34Å; E971-T975 PolarHBondContact O-N 3.16Å; E971-T975 PolarHBondContact O-OG1 3.39Å
972I48Very low44.5Very low73 Ų7383.5 Ų83.537%0.37445%0.453SS..Hα-helixtrans-66.8-45.2175.2-61.2174.9000108.7N969 T975 I976N969-I972 PolarHBondContact O-N 3.35Å; I972-T975 PolarHBondContact O-N 2.97Å; I972-I976 HydrophobicContact CG2-CD1 3.93Å; I972-I976 WeakPolarHBondContact O-CB 3.48Å; I972-I976 VanDerWaalsContact O-CG1 3.31Å; I972-I976 WeakPolarHBondContact O-CG1 3.41Å; I972-I976 PolarHBondContact O-N 3.42Å
973I49.9Very low44.8Very low40 Ų4081.3 Ų81.321%0.20545%0.445CS..Hα-helixtrans-70.7-32.3177.8-66.9172000111.6L967 N969 I977L967-I973 HydrophobicContact CB-CD1 3.83Å; L967-I973 HydrophobicContact CD2-CD1 3.77Å; L967-I973 HydrophobicContact CG-CD1 4.27Å; N969-I973 PolarHBondContact O-N 3.42Å; N969-I973 VanDerWaalsContact O-N 3.14Å; I973-I977 HydrophobicContact CG2-CD1 3.65Å; I973-I977 HydrophobicContact CG2-CG1 4.27Å; I973-I977 WeakPolarHBondContact O-CB 3.46Å; I973-I977 WeakPolarHBondContact O-CG1 3.46Å; I973-I977 PolarHBondContact O-N 3.32Å
974H48.6Very low45.3Very low41 Ų4182.7 Ų82.719%0.1944%0.438CS..Hα-helixtrans-74.6-28.1172.9-173.738.4000112.2F970 E971 K978F970-H974 WeakPolarHBondContact O-CA 3.48Å; F970-H974 WeakPolarHBondContact O-CB 3.31Å; F970-H974 PolarHBondContact O-N 3.35Å; E971-H974 PolarHBondContact O-N 2.95Å; H974-K978 WeakPolarHBondContact NE2-CE 3.5Å; H974-K978 PolarHBondContact NE2-NZ 2.9Å; H974-K978 VanDerWaalsContact NE2-NZ 3.2Å; H974-K978 VanDerWaalsContact O-CB 3.23Å; H974-K978 WeakPolarHBondContact O-CB 3.46Å; H974-K978 PolarHBondContact O-N 3.11Å
975T54.5Low45.5Very low64 Ų6485 Ų8539%0.39345%0.45SS..Hα-helixtrans-69.8-46.5170.5-59.20000110.7E971 I972 K978 R979E971-T975 VanDerWaalsContact O-CB 3.3Å; E971-T975 WeakPolarHBondContact O-CB 3.34Å; E971-T975 PolarHBondContact O-N 3.16Å; E971-T975 PolarHBondContact O-OG1 3.39Å; I972-T975 PolarHBondContact O-N 2.97Å; T975-K978 PolarHBondContact O-N 3.35Å; T975-R979 WeakPolarHBondContact O-CB 3.41Å; T975-R979 WeakPolarHBondContact O-CG 3.34Å; T975-R979 PolarHBondContact O-N 3.04Å
976I47.2Very low45.6Very low27 Ų2785 Ų8514%0.13845%0.446CS..Hα-helixtrans-61.5-44.5173.4-68.7166.5000110.3I972 R979 L980I972-I976 HydrophobicContact CG2-CD1 3.93Å; I972-I976 WeakPolarHBondContact O-CB 3.48Å; I972-I976 VanDerWaalsContact O-CG1 3.31Å; I972-I976 WeakPolarHBondContact O-CG1 3.41Å; I972-I976 PolarHBondContact O-N 3.42Å; I976-R979 PolarHBondContact O-N 2.83Å; I976-L980 HydrophobicContact CG2-CD1 3.71Å; I976-L980 HydrophobicContact CG2-CG 4.31Å; I976-L980 WeakPolarHBondContact O-CB 3.27Å; I976-L980 WeakPolarHBondContact O-CG 3.25Å; I976-L980 PolarHBondContact O-N 3.11Å
977I55.6Low45.4Very low44 Ų4485.6 Ų85.623%0.22645%0.449CS..Hα-helixtrans-69.9-35.6177.6-71.4172.2000112.2I973 L980 Q981I973-I977 HydrophobicContact CG2-CD1 3.65Å; I973-I977 HydrophobicContact CG2-CG1 4.27Å; I973-I977 WeakPolarHBondContact O-CB 3.46Å; I973-I977 WeakPolarHBondContact O-CG1 3.46Å; I973-I977 PolarHBondContact O-N 3.32Å; I977-L980 PolarHBondContact O-N 2.98Å; I977-Q981 HydrophobicContact CG2-CG 4.16Å; I977-Q981 WeakPolarHBondContact O-CB 3.4Å; I977-Q981 VanDerWaalsContact O-CG 3.22Å; I977-Q981 WeakPolarHBondContact O-CG 3.46Å; I977-Q981 PolarHBondContact O-N 3.43Å
978K53.3Low45.3Very low92 Ų9283.6 Ų83.640%0.445%0.445SS..Hα-helixtrans-64.6-43.2170.9-91.9176.4168.6159.20111H974 T975 Q981 T982H974-K978 WeakPolarHBondContact NE2-CE 3.5Å; H974-K978 PolarHBondContact NE2-NZ 2.9Å; H974-K978 VanDerWaalsContact NE2-NZ 3.2Å; H974-K978 VanDerWaalsContact O-CB 3.23Å; H974-K978 WeakPolarHBondContact O-CB 3.46Å; H974-K978 PolarHBondContact O-N 3.11Å; T975-K978 PolarHBondContact O-N 3.35Å; K978-Q981 PolarHBondContact O-N 3.49Å; K978-T982 WeakPolarHBondContact O-CG2 3.31Å; K978-T982 PolarHBondContact O-N 2.9Å; K978-T982 PolarHBondContact O-OG1 3.31Å; K978-T982 VanDerWaalsContact O-OG1 3.04Å
979R46Very low45Very low92 Ų9286.3 Ų86.335%0.34745%0.448SS..Hα-helixtrans-61.2-48.3174.3-77.4-174.8174.9171.95111.2E473 T975 I976 Q981 T982 V983 E1003E473-R979 IonicContact OE1-NH2 2.98Å; T975-R979 WeakPolarHBondContact O-CB 3.41Å; T975-R979 WeakPolarHBondContact O-CG 3.34Å; T975-R979 PolarHBondContact O-N 3.04Å; I976-R979 PolarHBondContact O-N 2.83Å; R979-Q981 PolarHBondContact O-N 2.8Å; R979-T982 WeakPolarHBondContact CA-OG1 3.49Å; R979-T982 PolarHBondContact O-N 3.19Å; R979-T982 PolarHBondContact O-OG1 3.22Å; R979-V983 WeakPolarHBondContact O-CG2 3.38Å; R979-V983 PolarHBondContact O-N 2.9Å; R979-E1003 IonicContact CZ-OE1 2.84Å; R979-E1003 IonicContact NH1-OE1 2.86Å; R979-E1003 PolarHBondContact NH1-OE1 2.8Å; R979-E1003 IonicContact NH1-OE2 3.51Å
980L43Very low44.8Very low48 Ų4884.9 Ų84.925%0.25145%0.447SS..Hα-helixtrans-59.7-43.7174.6-71167.9000111.8I976 I977 V983 V984 L996 V1000I976-L980 HydrophobicContact CG2-CD1 3.71Å; I976-L980 HydrophobicContact CG2-CG 4.31Å; I976-L980 WeakPolarHBondContact O-CB 3.27Å; I976-L980 WeakPolarHBondContact O-CG 3.25Å; I976-L980 PolarHBondContact O-N 3.11Å; I977-L980 PolarHBondContact O-N 2.98Å; L980-V983 PolarHBondContact O-N 3.38Å; L980-V983 VanDerWaalsContact O-N 3.16Å; L980-V984 VanDerWaalsContact O-CB 3.31Å; L980-V984 WeakPolarHBondContact O-CB 3.37Å; L980-V984 WeakPolarHBondContact O-CG2 3.43Å; L980-V984 PolarHBondContact O-N 2.83Å; L980-L996 HydrophobicContact CD2-CD1 3.86Å; L980-L996 HydrophobicContact CD2-CD2 3.78Å; L980-L996 HydrophobicContact CD2-CG 3.82Å; L980-V1000 HydrophobicContact CD2-CG2 4.09Å
981Q50.9Low44.7Very low86 Ų8682.5 Ų82.540%0.40244%0.441SS..Hα-helixtrans-69.5-31.7177.3-75.5174.8-30.700113I977 K978 R979 V983 N985I977-Q981 HydrophobicContact CG2-CG 4.16Å; I977-Q981 WeakPolarHBondContact O-CB 3.4Å; I977-Q981 VanDerWaalsContact O-CG 3.22Å; I977-Q981 WeakPolarHBondContact O-CG 3.46Å; I977-Q981 PolarHBondContact O-N 3.43Å; K978-Q981 PolarHBondContact O-N 3.49Å; R979-Q981 PolarHBondContact O-N 2.8Å; Q981-V983 VanDerWaalsContact C-N 3.29Å; Q981-N985 WeakPolarHBondContact O-CB 3.36Å; Q981-N985 PolarHBondContact O-N 2.79Å; Q981-N985 VanDerWaalsContact O-N 3.16Å; Q981-N985 PolarHBondContact O-ND2 3.48Å
982T48.8Very low45Very low105 Ų10576.4 Ų76.464%0.64441%0.413SS*.Hα-helixtrans-71.1-23.1170.5500000113.4K978 R979K978-T982 WeakPolarHBondContact O-CG2 3.31Å; K978-T982 PolarHBondContact O-N 2.9Å; K978-T982 PolarHBondContact O-OG1 3.31Å; K978-T982 VanDerWaalsContact O-OG1 3.04Å; R979-T982 WeakPolarHBondContact CA-OG1 3.49Å; R979-T982 PolarHBondContact O-N 3.19Å; R979-T982 PolarHBondContact O-OG1 3.22Å
983V41.8Very low44.9Very low67 Ų6778.3 Ų78.341%0.40643%0.428SS..Hα-helixtrans-86.8-34.2174.1172.80000111.5R979 L980 Q981 L996R979-V983 WeakPolarHBondContact O-CG2 3.38Å; R979-V983 PolarHBondContact O-N 2.9Å; L980-V983 PolarHBondContact O-N 3.38Å; L980-V983 VanDerWaalsContact O-N 3.16Å; Q981-V983 VanDerWaalsContact C-N 3.29Å; V983-L996 HydrophobicContact CG1-CD1 4.38Å
984V45.1Very low45.4Very low101 Ų10180.1 Ų80.161%0.61244%0.437SS*.Hα-helixtrans-79.1-20-178.5168.40000113.3L980L980-V984 VanDerWaalsContact O-CB 3.31Å; L980-V984 WeakPolarHBondContact O-CB 3.37Å; L980-V984 WeakPolarHBondContact O-CG2 3.43Å; L980-V984 PolarHBondContact O-N 2.83Å
985N43.2Very low45.7Very low135 Ų13579.1 Ų79.172%0.72243%0.434SS*.THydrogen-bonded Turntrans-99.825.1-178.3-71.7-24.5000114.9Q981Q981-N985 WeakPolarHBondContact O-CB 3.36Å; Q981-N985 PolarHBondContact O-N 2.79Å; Q981-N985 VanDerWaalsContact O-N 3.16Å; Q981-N985 PolarHBondContact O-ND2 3.48Å
986S38.6Very low45.6Very low68 Ų6879.2 Ų79.248%0.47643%0.431SS..SBendtrans-132.2139.9167.654.50000111.1S988S986-S988 PolarHBondContact O-N 3.04Å
987E33.9Very low46.3Very low170 Ų17081.4 Ų81.479%0.79445%0.446SS*.  trans-69.855.2-171.7-61166.9142.600113.7K1143E987-K1143 IonicContact OE1-NZ 2.74Å; E987-K1143 PolarHBondContact OE1-NZ 2.79Å; E987-K1143 IonicContact OE2-NZ 3.1Å; E987-K1143 PolarHBondContact OE2-NZ 3.49Å
988S36Very low46.9Very low71 Ų7182.9 Ų82.950%0.49745%0.454SS..  trans-112.8114.4172.860.20000110.5S986 S990S986-S988 PolarHBondContact O-N 3.04Å; S988-S990 VanDerWaalsContact C-N 3.27Å; S988-S990 PolarHBondContact O-N 3.09Å
989E34.8Very low47.3Very low139 Ų13982.3 Ų82.365%0.6546%0.458SS*.  trans-6688.8163.9-54-178.416600109.6A991 N1733E989-A991 PolarHBondContact O-N 2.93Å; E989-N1733 WeakPolarHBondContact CB-ND2 3.13Å; E989-N1733 VanDerWaalsContact CD-ND2 3.27Å; E989-N1733 PolarHBondContact OE2-ND2 2.86Å; E989-N1733 PolarHBondContact OE2-OD1 2.99Å
990S37.8Very low47.6Very low82 Ų8279.9 Ų79.957%0.57345%0.453SS*.  trans-85.696.9161.158.40000107.6S988S988-S990 VanDerWaalsContact C-N 3.27Å; S988-S990 PolarHBondContact O-N 3.09Å
991A39.9Very low48.8Very low21 Ų2180.4 Ų80.417%0.17446%0.459CS..  trans-64.1157.517300000111.2E989 E1729E989-A991 PolarHBondContact O-N 2.93Å; A991-E1729 VanDerWaalsContact CB-CD 3.43Å; A991-E1729 WeakPolarHBondContact CB-OE1 3.39Å; A991-E1729 VanDerWaalsContact CB-OE2 3.29Å; A991-E1729 WeakPolarHBondContact CB-OE2 3.36Å
992N47.7Very low49.6Very low39 Ų3979.5 Ų79.521%0.20946%0.462CS..  trans6897.2-175.1-63.5-8.1000114.4I994 D995N992-I994 HydrophobicContact CB-CB 4.3Å; N992-I994 PolarHBondContact O-N 3.43Å; N992-D995 PolarHBondContact O-N 2.87Å
993V46.1Very low50.1Low112 Ų11277.2 Ų77.268%0.67944%0.444SS*.Hα-helixtrans-46.8-29.1157.4175.30000111.6D995 L996 V997V993-D995 PolarHBondContact O-N 3.27Å; V993-L996 WeakPolarHBondContact O-CB 3.34Å; V993-L996 PolarHBondContact O-N 2.98Å; V993-V997 HydrophobicContact CG1-CG2 4Å; V993-V997 WeakPolarHBondContact O-CB 3.43Å; V993-V997 VanDerWaalsContact O-CG2 3.31Å; V993-V997 WeakPolarHBondContact O-CG2 3.3Å; V993-V997 PolarHBondContact O-N 2.93Å
994I60.9Low51.1Low78 Ų7878.9 Ų78.940%0.445%0.45SS..Hα-helixtrans-56.8-44.2174-54.5174.6000111.6N992 L996 V997 D998N992-I994 HydrophobicContact CB-CB 4.3Å; N992-I994 PolarHBondContact O-N 3.43Å; I994-L996 VanDerWaalsContact C-N 3.28Å; I994-L996 PolarHBondContact O-N 3.39Å; I994-V997 CarbonylContact O-C 3.58Å; I994-V997 PolarHBondContact O-N 3.43Å; I994-D998 WeakPolarHBondContact O-CB 3.47Å; I994-D998 VanDerWaalsContact O-CG 3.26Å; I994-D998 PolarHBondContact O-N 3.25Å
995D55.1Low52.3Low21 Ų2177.7 Ų77.711%0.11244%0.443CS..Hα-helixtrans-65.7-33.9179.6-75.8-37000112.1N992 V993 T999 R1726N992-D995 PolarHBondContact O-N 2.87Å; V993-D995 PolarHBondContact O-N 3.27Å; D995-T999 WeakPolarHBondContact O-CB 3.24Å; D995-T999 PolarHBondContact O-N 2.87Å; D995-T999 PolarHBondContact O-OG1 3.23Å; D995-R1726 IonicContact OD1-CZ 2.73Å; D995-R1726 IonicContact OD1-NE 3.74Å; D995-R1726 IonicContact OD1-NH2 2.71Å; D995-R1726 PolarHBondContact OD1-NH2 3.14Å; D995-R1726 IonicContact OD2-CZ 2.71Å; D995-R1726 VanDerWaalsContact OD2-CZ 3.24Å; D995-R1726 IonicContact OD2-NE 2.78Å; D995-R1726 PolarHBondContact OD2-NE 2.85Å; D995-R1726 IonicContact OD2-NH2 2.75Å; D995-R1726 PolarHBondContact OD2-NH2 3.33Å
996L52.6Low53.6Low65 Ų6577.7 Ų77.734%0.3444%0.439SS..Hα-helixtrans-72.8-40.3175.3-164.968.9000110.9L980 V983 V993 I994 T999 V1000L980-L996 HydrophobicContact CD2-CD1 3.86Å; L980-L996 HydrophobicContact CD2-CD2 3.78Å; L980-L996 HydrophobicContact CD2-CG 3.82Å; V983-L996 HydrophobicContact CG1-CD1 4.38Å; V993-L996 WeakPolarHBondContact O-CB 3.34Å; V993-L996 PolarHBondContact O-N 2.98Å; I994-L996 VanDerWaalsContact C-N 3.28Å; I994-L996 PolarHBondContact O-N 3.39Å; L996-T999 PolarHBondContact O-N 3.45Å; L996-V1000 WeakPolarHBondContact O-CB 3.32Å; L996-V1000 VanDerWaalsContact O-CG2 3.23Å; L996-V1000 WeakPolarHBondContact O-CG2 3.46Å; L996-V1000 PolarHBondContact O-N 3.09Å
997V61.9Low54.8Low74 Ų7475.9 Ų75.945%0.44843%0.426SS..Hα-helixtrans-66.8-38.7174168.30000111.3V993 I994 V1000 T1001V993-V997 HydrophobicContact CG1-CG2 4Å; V993-V997 WeakPolarHBondContact O-CB 3.43Å; V993-V997 VanDerWaalsContact O-CG2 3.31Å; V993-V997 WeakPolarHBondContact O-CG2 3.3Å; V993-V997 PolarHBondContact O-N 2.93Å; I994-V997 CarbonylContact O-C 3.58Å; I994-V997 PolarHBondContact O-N 3.43Å; V997-V1000 PolarHBondContact O-N 2.85Å; V997-T1001 HydrophobicContact CG1-CG2 4.27Å; V997-T1001 VanDerWaalsContact O-CB 3.29Å; V997-T1001 WeakPolarHBondContact O-CB 3.49Å; V997-T1001 WeakPolarHBondContact O-CG2 3.47Å; V997-T1001 PolarHBondContact O-N 3.47Å; V997-T1001 PolarHBondContact O-OG1 3.42Å
998D66.7Low56.5Low75 Ų7576 Ų7640%0.40142%0.419SS..Hα-helixtrans-69.8-37.2176.8-74.1-10.1000111.1I994 T1001 S1002I994-D998 WeakPolarHBondContact O-CB 3.47Å; I994-D998 VanDerWaalsContact O-CG 3.26Å; I994-D998 PolarHBondContact O-N 3.25Å; D998-T1001 VanDerWaalsContact CA-OG1 3.31Å; D998-T1001 WeakPolarHBondContact CA-OG1 3.39Å; D998-T1001 PolarHBondContact O-OG1 3.23Å; D998-S1002 WeakPolarHBondContact O-CB 3.29Å; D998-S1002 PolarHBondContact O-N 3.46Å; D998-S1002 PolarHBondContact O-OG 2.89Å
999T63Low58.2Low79 Ų7977 Ų7749%0.48542%0.419SS..Hα-helixtrans-66.9-47171.9-54.30000110.9D995 L996 S1002 E1003D995-T999 WeakPolarHBondContact O-CB 3.24Å; D995-T999 PolarHBondContact O-N 2.87Å; D995-T999 PolarHBondContact O-OG1 3.23Å; L996-T999 PolarHBondContact O-N 3.45Å; T999-S1002 PolarHBondContact O-N 2.84Å; T999-E1003 PolarHBondContact O-N 2.83Å
1000V52.7Low59.9Low41 Ų4173.6 Ų73.625%0.24841%0.411CS..Hα-helixtrans-66.3-38.2178.2168.20000111.6L980 L996 V997 L1004L980-V1000 HydrophobicContact CD2-CG2 4.09Å; L996-V1000 WeakPolarHBondContact O-CB 3.32Å; L996-V1000 VanDerWaalsContact O-CG2 3.23Å; L996-V1000 WeakPolarHBondContact O-CG2 3.46Å; L996-V1000 PolarHBondContact O-N 3.09Å; V997-V1000 PolarHBondContact O-N 2.85Å; V1000-L1004 WeakPolarHBondContact O-CB 3.47Å; V1000-L1004 PolarHBondContact O-N 3.19Å
1001T67Low61.3Low59 Ų5973.7 Ų73.736%0.36240%0.404SS..Hα-helixtrans-73.3-30.517550.30000111.9V997 D998 L1004 V1005V997-T1001 HydrophobicContact CG1-CG2 4.27Å; V997-T1001 VanDerWaalsContact O-CB 3.29Å; V997-T1001 WeakPolarHBondContact O-CB 3.49Å; V997-T1001 WeakPolarHBondContact O-CG2 3.47Å; V997-T1001 PolarHBondContact O-N 3.47Å; V997-T1001 PolarHBondContact O-OG1 3.42Å; D998-T1001 VanDerWaalsContact CA-OG1 3.31Å; D998-T1001 WeakPolarHBondContact CA-OG1 3.39Å; D998-T1001 PolarHBondContact O-OG1 3.23Å; T1001-L1004 PolarHBondContact O-N 3.47Å; T1001-V1005 VanDerWaalsContact O-CB 3.31Å; T1001-V1005 WeakPolarHBondContact O-CB 3.37Å; T1001-V1005 WeakPolarHBondContact O-CG2 3.45Å; T1001-V1005 PolarHBondContact O-N 3.38Å
1002S68.1Low63Low68 Ų6876 Ų7648%0.47642%0.416SS..Hα-helixtrans-65.6-48169.7-620000111.4D998 T999 L1004 V1005 E1006D998-S1002 WeakPolarHBondContact O-CB 3.29Å; D998-S1002 PolarHBondContact O-N 3.46Å; D998-S1002 PolarHBondContact O-OG 2.89Å; T999-S1002 PolarHBondContact O-N 2.84Å; S1002-L1004 VanDerWaalsContact C-N 3.29Å; S1002-L1004 PolarHBondContact O-N 2.85Å; S1002-V1005 PolarHBondContact O-N 3.28Å; S1002-E1006 PolarHBondContact O-N 2.82Å
1003E59.9Low64.3Low57 Ų5778.2 Ų78.227%0.26643%0.428SS..Hα-helixtrans-62.9-34.5173.4-70.5-165.9165.100111.8R979 T999 S1007R979-E1003 IonicContact CZ-OE1 2.84Å; R979-E1003 IonicContact NH1-OE1 2.86Å; R979-E1003 PolarHBondContact NH1-OE1 2.8Å; R979-E1003 IonicContact NH1-OE2 3.51Å; T999-E1003 PolarHBondContact O-N 2.83Å; E1003-S1007 VanDerWaalsContact O-CB 3.24Å; E1003-S1007 WeakPolarHBondContact O-CB 3.48Å; E1003-S1007 PolarHBondContact O-N 2.69Å
1004L62.7Low65.6Low101 Ų10177.3 Ų77.353%0.52942%0.419SS..Hα-helixtrans-70.5-34.4174.6-166.275000112.3V1000 T1001 S1002 R1008V1000-L1004 WeakPolarHBondContact O-CB 3.47Å; V1000-L1004 PolarHBondContact O-N 3.19Å; T1001-L1004 PolarHBondContact O-N 3.47Å; S1002-L1004 VanDerWaalsContact C-N 3.29Å; S1002-L1004 PolarHBondContact O-N 2.85Å; L1004-R1008 WeakPolarHBondContact O-CB 3.47Å; L1004-R1008 PolarHBondContact O-N 3.3Å
1005V70.7Confident66.2Low76 Ų7678 Ų7846%0.46142%0.423SS..Hα-helixtrans-71.2-44.7173.51660000110.2T1001 S1002 S1007 R1008 D1009T1001-V1005 VanDerWaalsContact O-CB 3.31Å; T1001-V1005 WeakPolarHBondContact O-CB 3.37Å; T1001-V1005 WeakPolarHBondContact O-CG2 3.45Å; T1001-V1005 PolarHBondContact O-N 3.38Å; S1002-V1005 PolarHBondContact O-N 3.28Å; V1005-S1007 VanDerWaalsContact C-N 3.31Å; V1005-S1007 PolarHBondContact O-N 2.99Å; V1005-R1008 CarbonylContact O-C 3.58Å; V1005-R1008 WeakPolarHBondContact O-CB 3.25Å; V1005-R1008 PolarHBondContact O-N 3.05Å; V1005-R1008 VanDerWaalsContact O-N 3.11Å; V1005-D1009 WeakPolarHBondContact O-CB 3.23Å; V1005-D1009 PolarHBondContact O-N 2.85Å
1006E69.2Low67.1Low135 Ų13581.1 Ų81.163%0.63144%0.44SS*.Hα-helixtrans-61.3-38.9172.3-73.2-172.617100111.8S1002 D1009 S1010S1002-E1006 PolarHBondContact O-N 2.82Å; E1006-D1009 PolarHBondContact O-N 3.17Å; E1006-S1010 VanDerWaalsContact O-CB 3.28Å; E1006-S1010 WeakPolarHBondContact O-CB 3.34Å; E1006-S1010 PolarHBondContact O-N 3.29Å; E1006-S1010 PolarHBondContact O-OG 2.95Å
1007S63.4Low68.2Low31 Ų3182 Ų8222%0.21744%0.442CS..Hα-helixtrans-67.2-37.2173-173.40000112E1003 V1005 S1010 I1011E1003-S1007 VanDerWaalsContact O-CB 3.24Å; E1003-S1007 WeakPolarHBondContact O-CB 3.48Å; E1003-S1007 PolarHBondContact O-N 2.69Å; V1005-S1007 VanDerWaalsContact C-N 3.31Å; V1005-S1007 PolarHBondContact O-N 2.99Å; S1007-S1010 PolarHBondContact O-N 2.82Å; S1007-I1011 WeakPolarHBondContact O-CB 3.2Å; S1007-I1011 WeakPolarHBondContact O-CD1 3.03Å; S1007-I1011 WeakPolarHBondContact O-CG1 3.42Å; S1007-I1011 PolarHBondContact O-N 3.45Å
1008R71.2Confident68.6Low171 Ų17183.2 Ų83.265%0.64545%0.446SS*.Hα-helixtrans-69.3-39175.3177.1-178.7174.6168.7-0.1111.7L1004 V1005 S1010 I1011 T1012L1004-R1008 WeakPolarHBondContact O-CB 3.47Å; L1004-R1008 PolarHBondContact O-N 3.3Å; V1005-R1008 CarbonylContact O-C 3.58Å; V1005-R1008 WeakPolarHBondContact O-CB 3.25Å; V1005-R1008 PolarHBondContact O-N 3.05Å; V1005-R1008 VanDerWaalsContact O-N 3.11Å; R1008-S1010 VanDerWaalsContact C-N 3.34Å; R1008-I1011 PolarHBondContact O-N 3.41Å; R1008-T1012 WeakPolarHBondContact O-CB 3.42Å; R1008-T1012 WeakPolarHBondContact O-CG2 3.32Å; R1008-T1012 PolarHBondContact O-N 3.36Å; R1008-T1012 PolarHBondContact O-OG1 2.89Å
1009D70.3Confident68.8Low94 Ų9482.8 Ų82.850%0.50345%0.448SS..Hα-helixtrans-69.6-35.6175.7-75-3.2000110.5V1005 E1006 T1012 N1013V1005-D1009 WeakPolarHBondContact O-CB 3.23Å; V1005-D1009 PolarHBondContact O-N 2.85Å; E1006-D1009 PolarHBondContact O-N 3.17Å; D1009-T1012 WeakPolarHBondContact CA-OG1 3.41Å; D1009-T1012 PolarHBondContact O-OG1 2.94Å; D1009-N1013 WeakPolarHBondContact O-CB 3.16Å; D1009-N1013 PolarHBondContact O-N 3.37Å
1010S70.7Confident69.2Low67 Ų6783.9 Ų83.947%0.46945%0.446SS..Hα-helixtrans-65.8-44.1170.3-60.40000112.3E1006 S1007 R1008 N1013 L1014E1006-S1010 VanDerWaalsContact O-CB 3.28Å; E1006-S1010 WeakPolarHBondContact O-CB 3.34Å; E1006-S1010 PolarHBondContact O-N 3.29Å; E1006-S1010 PolarHBondContact O-OG 2.95Å; S1007-S1010 PolarHBondContact O-N 2.82Å; R1008-S1010 VanDerWaalsContact C-N 3.34Å; S1010-N1013 PolarHBondContact O-N 3.49Å; S1010-L1014 WeakPolarHBondContact O-CB 3.49Å; S1010-L1014 WeakPolarHBondContact O-CG 3.25Å; S1010-L1014 PolarHBondContact O-N 3.28Å
1011I68.3Low69.8Low83 Ų8387.1 Ų87.143%0.42646%0.46SS..Hα-helixtrans-66.1-40.7175.7-72.3163.7000111.3S1007 R1008 L1014 N1015S1007-I1011 WeakPolarHBondContact O-CB 3.2Å; S1007-I1011 WeakPolarHBondContact O-CD1 3.03Å; S1007-I1011 WeakPolarHBondContact O-CG1 3.42Å; S1007-I1011 PolarHBondContact O-N 3.45Å; R1008-I1011 PolarHBondContact O-N 3.41Å; I1011-L1014 PolarHBondContact O-N 3.09Å; I1011-N1015 WeakPolarHBondContact O-CB 3.27Å; I1011-N1015 PolarHBondContact O-N 3.12Å
1012T74.1Confident69.9Low71 Ų7188.4 Ų88.444%0.43646%0.461SS..Hα-helixtrans-70.3-38.3177.251.80000111.7R1008 D1009 N1015 D1016R1008-T1012 WeakPolarHBondContact O-CB 3.42Å; R1008-T1012 WeakPolarHBondContact O-CG2 3.32Å; R1008-T1012 PolarHBondContact O-N 3.36Å; R1008-T1012 PolarHBondContact O-OG1 2.89Å; D1009-T1012 WeakPolarHBondContact CA-OG1 3.41Å; D1009-T1012 PolarHBondContact O-OG1 2.94Å; T1012-N1015 PolarHBondContact O-N 3.42Å; T1012-D1016 WeakPolarHBondContact O-CB 3.49Å; T1012-D1016 PolarHBondContact O-N 2.93Å
1013N76.9Confident70.1Confident85 Ų8590.5 Ų90.546%0.45546%0.462SS..Hα-helixtrans-62.2-41170.2-175.24.3000111.9D1009 S1010 D1016 Q1017D1009-N1013 WeakPolarHBondContact O-CB 3.16Å; D1009-N1013 PolarHBondContact O-N 3.37Å; S1010-N1013 PolarHBondContact O-N 3.49Å; N1013-D1016 PolarHBondContact O-N 3.25Å; N1013-Q1017 WeakPolarHBondContact O-CB 3.23Å; N1013-Q1017 WeakPolarHBondContact O-CG 3.25Å; N1013-Q1017 PolarHBondContact O-N 2.88Å; N1013-Q1017 PolarHBondContact OD1-NE2 3.49Å
1014L72.1Confident70.2Confident92 Ų9295.2 Ų95.248%0.48248%0.478SS..Hα-helixtrans-64.5-40.7172.7-78.2167.9000112.4S1010 I1011 D1016 Q1017 L1018S1010-L1014 WeakPolarHBondContact O-CB 3.49Å; S1010-L1014 WeakPolarHBondContact O-CG 3.25Å; S1010-L1014 PolarHBondContact O-N 3.28Å; I1011-L1014 PolarHBondContact O-N 3.09Å; L1014-D1016 VanDerWaalsContact C-N 3.32Å; L1014-Q1017 PolarHBondContact O-N 3.08Å; L1014-L1018 WeakPolarHBondContact O-CB 3.42Å; L1014-L1018 WeakPolarHBondContact O-CG 3.29Å; L1014-L1018 PolarHBondContact O-N 2.9Å
1015N73.3Confident70Confident94 Ų9496 Ų9650%0.50348%0.483SS..Hα-helixtrans-64.9-35.9172.3-102.1-17.3000111.9I1011 T1012 L1018 C1019I1011-N1015 WeakPolarHBondContact O-CB 3.27Å; I1011-N1015 PolarHBondContact O-N 3.12Å; T1012-N1015 PolarHBondContact O-N 3.42Å; N1015-L1018 PolarHBondContact O-N 3.5Å; N1015-C1019 WeakPolarHBondContact O-CB 3.2Å; N1015-C1019 PolarHBondContact O-N 3.37Å; N1015-C1019 PolarHBondContact O-SG 3.42Å
1016D73.8Confident69.5Low85 Ų8596.9 Ų96.946%0.45549%0.492SS..Hα-helixtrans-71-34.8176.6-142.958.3000111.2T1012 N1013 L1014 K1020T1012-D1016 WeakPolarHBondContact O-CB 3.49Å; T1012-D1016 PolarHBondContact O-N 2.93Å; N1013-D1016 PolarHBondContact O-N 3.25Å; L1014-D1016 VanDerWaalsContact C-N 3.32Å; D1016-K1020 WeakPolarHBondContact O-CB 3.25Å; D1016-K1020 WeakPolarHBondContact O-CD 3.37Å; D1016-K1020 WeakPolarHBondContact O-CG 3.32Å; D1016-K1020 PolarHBondContact O-N 2.91Å; D1016-K1020 IonicContact OD2-NZ 3.09Å; D1016-K1020 PolarHBondContact OD2-NZ 2.8Å
1017Q75.6Confident68.9Low85 Ų8595.4 Ų95.440%0.39749%0.485SS..Hα-helixtrans-69.1-40.6170.2-74.2176.345.900112N1013 L1014 K1020 M1021N1013-Q1017 WeakPolarHBondContact O-CB 3.23Å; N1013-Q1017 WeakPolarHBondContact O-CG 3.25Å; N1013-Q1017 PolarHBondContact O-N 2.88Å; N1013-Q1017 PolarHBondContact OD1-NE2 3.49Å; L1014-Q1017 PolarHBondContact O-N 3.08Å; Q1017-K1020 PolarHBondContact O-N 2.87Å; Q1017-M1021 WeakPolarHBondContact O-CB 3.41Å; Q1017-M1021 WeakPolarHBondContact O-CG 3.35Å; Q1017-M1021 PolarHBondContact O-N 3.01Å
1018L71.1Confident68.5Low99 Ų99100 Ų10052%0.51852%0.518SS..Hα-helixtrans-64.1-45.3172.8-78.1169.9000111.3L1014 N1015 K1020 M1021 E1022L1014-L1018 WeakPolarHBondContact O-CB 3.42Å; L1014-L1018 WeakPolarHBondContact O-CG 3.29Å; L1014-L1018 PolarHBondContact O-N 2.9Å; N1015-L1018 PolarHBondContact O-N 3.5Å; L1018-K1020 VanDerWaalsContact C-N 3.32Å; L1018-K1020 PolarHBondContact O-N 3.13Å; L1018-M1021 CarbonylContact O-C 3.53Å; L1018-M1021 PolarHBondContact O-N 2.68Å; L1018-E1022 VanDerWaalsContact O-CB 3.28Å; L1018-E1022 WeakPolarHBondContact O-CB 3.32Å; L1018-E1022 PolarHBondContact O-N 3.16Å
1019C70Confident67.5Low66 Ų6695.6 Ų95.645%0.44651%0.509SS..Hα-helixtrans-60.8-38.7173-76.10000112.1N1015 K1023N1015-C1019 WeakPolarHBondContact O-CB 3.2Å; N1015-C1019 PolarHBondContact O-N 3.37Å; N1015-C1019 PolarHBondContact O-SG 3.42Å; C1019-K1023 VanDerWaalsContact O-CB 3.26Å; C1019-K1023 WeakPolarHBondContact O-CB 3.31Å; C1019-K1023 PolarHBondContact O-N 3.45Å
1020K72Confident67.1Low101 Ų10193.7 Ų93.744%0.43950%0.504SS..Hα-helixtrans-66.4-42.3173.3-77.7162-179.6140.50111.9D1016 Q1017 L1018 K1023 Y1024D1016-K1020 WeakPolarHBondContact O-CB 3.25Å; D1016-K1020 WeakPolarHBondContact O-CD 3.37Å; D1016-K1020 WeakPolarHBondContact O-CG 3.32Å; D1016-K1020 PolarHBondContact O-N 2.91Å; D1016-K1020 IonicContact OD2-NZ 3.09Å; D1016-K1020 PolarHBondContact OD2-NZ 2.8Å; Q1017-K1020 PolarHBondContact O-N 2.87Å; L1018-K1020 VanDerWaalsContact C-N 3.32Å; L1018-K1020 PolarHBondContact O-N 3.13Å; K1020-K1023 WeakPolarHBondContact O-CB 3.48Å; K1020-K1023 PolarHBondContact O-N 3.44Å; K1020-Y1024 HydrophobicContact CB-CE2 4.24Å; K1020-Y1024 WeakPolarHBondContact O-CD2 3.48Å; K1020-Y1024 VanDerWaalsContact O-CG 3.3Å; K1020-Y1024 PolarHBondContact O-N 3.36Å
1021M66.2Low66.8Low109 Ų10997 Ų9754%0.53752%0.515SS..Hα-helixtrans-65.8-45174.8-77.9178.758.200112Q1017 L1018 K1023 Y1024 L1025Q1017-M1021 WeakPolarHBondContact O-CB 3.41Å; Q1017-M1021 WeakPolarHBondContact O-CG 3.35Å; Q1017-M1021 PolarHBondContact O-N 3.01Å; L1018-M1021 CarbonylContact O-C 3.53Å; L1018-M1021 PolarHBondContact O-N 2.68Å; M1021-K1023 PolarHBondContact O-N 2.81Å; M1021-Y1024 CarbonylContact O-C 3.6Å; M1021-Y1024 PolarHBondContact O-N 2.77Å; M1021-Y1024 VanDerWaalsContact O-N 3.15Å; M1021-L1025 WeakPolarHBondContact O-CB 3.42Å; M1021-L1025 VanDerWaalsContact O-CG 3.24Å; M1021-L1025 WeakPolarHBondContact O-CG 3.48Å; M1021-L1025 PolarHBondContact O-N 2.77Å
1022E68.9Low66.9Low86 Ų86101.3 Ų101.340%0.40253%0.527SS..Hα-helixtrans-59.7-37.5174.8-169.2173-156.800110.4L1018 S1026L1018-E1022 VanDerWaalsContact O-CB 3.28Å; L1018-E1022 WeakPolarHBondContact O-CB 3.32Å; L1018-E1022 PolarHBondContact O-N 3.16Å; E1022-S1026 WeakPolarHBondContact O-CB 3.49Å; E1022-S1026 PolarHBondContact O-N 2.65Å; E1022-S1026 VanDerWaalsContact O-N 3.1Å; E1022-S1026 PolarHBondContact O-OG 2.73Å
1023K72.4Confident66.6Low112 Ų112102.1 Ų102.149%0.48753%0.529SS..Hα-helixtrans-66.2-48.4170.5-169.4-179.1176.7-167.80113C1019 K1020 M1021 L1025 S1026 E1027C1019-K1023 VanDerWaalsContact O-CB 3.26Å; C1019-K1023 WeakPolarHBondContact O-CB 3.31Å; C1019-K1023 PolarHBondContact O-N 3.45Å; K1020-K1023 WeakPolarHBondContact O-CB 3.48Å; K1020-K1023 PolarHBondContact O-N 3.44Å; M1021-K1023 PolarHBondContact O-N 2.81Å; K1023-L1025 PolarHBondContact O-N 3.44Å; K1023-S1026 WeakPolarHBondContact CA-OG 3.43Å; K1023-S1026 PolarHBondContact O-N 2.8Å; K1023-S1026 VanDerWaalsContact O-N 3.09Å; K1023-S1026 PolarHBondContact O-OG 2.79Å; K1023-E1027 WeakPolarHBondContact CE-OE1 3.39Å; K1023-E1027 WeakPolarHBondContact CE-OE2 3.19Å; K1023-E1027 IonicContact NZ-OE1 2.85Å; K1023-E1027 PolarHBondContact NZ-OE1 2.76Å; K1023-E1027 VanDerWaalsContact NZ-OE1 3.08Å; K1023-E1027 IonicContact NZ-OE2 3.63Å; K1023-E1027 PolarHBondContact O-N 3.47Å
1024Y62.3Low65.9Low156 Ų156104.7 Ų104.761%0.61253%0.533SS*.Hα-helixtrans-65.9-22.3177.1-68.6-48.9000113.5K1020 M1021 V1029K1020-Y1024 HydrophobicContact CB-CE2 4.24Å; K1020-Y1024 WeakPolarHBondContact O-CD2 3.48Å; K1020-Y1024 VanDerWaalsContact O-CG 3.3Å; K1020-Y1024 PolarHBondContact O-N 3.36Å; M1021-Y1024 CarbonylContact O-C 3.6Å; M1021-Y1024 PolarHBondContact O-N 2.77Å; M1021-Y1024 VanDerWaalsContact O-N 3.15Å; Y1024-V1029 WeakPolarHBondContact O-CG2 3.33Å
1025L58.8Low66Low118 Ų118105.1 Ų105.162%0.61853%0.533SS*.Hα-helixtrans-85.8-16.9173.2-70.7167.9000113M1021 K1023M1021-L1025 WeakPolarHBondContact O-CB 3.42Å; M1021-L1025 VanDerWaalsContact O-CG 3.24Å; M1021-L1025 WeakPolarHBondContact O-CG 3.48Å; M1021-L1025 PolarHBondContact O-N 2.77Å; K1023-L1025 PolarHBondContact O-N 3.44Å
1026S59Low66.1Low95 Ų95103.4 Ų103.466%0.66453%0.528SS*.Hα-helixtrans-102.8-21.6178.348.90000114.2E1022 K1023E1022-S1026 WeakPolarHBondContact O-CB 3.49Å; E1022-S1026 PolarHBondContact O-N 2.65Å; E1022-S1026 VanDerWaalsContact O-N 3.1Å; E1022-S1026 PolarHBondContact O-OG 2.73Å; K1023-S1026 WeakPolarHBondContact CA-OG 3.43Å; K1023-S1026 PolarHBondContact O-N 2.8Å; K1023-S1026 VanDerWaalsContact O-N 3.09Å; K1023-S1026 PolarHBondContact O-OG 2.79Å
1027E56.8Low65.9Low104 Ų104104.6 Ų104.649%0.48653%0.534SS..SBendtrans-84.7131.8162.7-70.2177.5171.200109.7K1023 V1029K1023-E1027 WeakPolarHBondContact CE-OE1 3.39Å; K1023-E1027 WeakPolarHBondContact CE-OE2 3.19Å; K1023-E1027 IonicContact NZ-OE1 2.85Å; K1023-E1027 PolarHBondContact NZ-OE1 2.76Å; K1023-E1027 VanDerWaalsContact NZ-OE1 3.08Å; K1023-E1027 IonicContact NZ-OE2 3.63Å; K1023-E1027 PolarHBondContact O-N 3.47Å; E1027-V1029 PolarHBondContact O-N 3.45Å
1028S54.5Low65.9Low128 Ų128105.9 Ų105.990%0.89554%0.54SS*.  trans-70.797-165.858.20000114.3
1029V49.8Very low66.3Low77 Ų77106.3 Ų106.347%0.46754%0.543SS..  trans-64.4145.5169.7179.90000111Y1024 E1027 D1033 Y1034Y1024-V1029 WeakPolarHBondContact O-CG2 3.33Å; E1027-V1029 PolarHBondContact O-N 3.45Å; V1029-D1033 HydrophobicContact CG1-CB 4.02Å; V1029-Y1034 HydrophobicContact CG1-CD2 4.14Å
1030S62.8Low66.8Low55 Ų55109.2 Ų109.239%0.38555%0.55SS..  trans-74.5146178.591.60000111.7Y1032 D1033 Y1034S1030-Y1032 PolarHBondContact O-N 3.32Å; S1030-Y1032 VanDerWaalsContact O-N 3.14Å; S1030-Y1032 PolarHBondContact OG-N 3.47Å; S1030-D1033 WeakPolarHBondContact CB-OD2 3.21Å; S1030-D1033 PolarHBondContact O-N 2.88Å; S1030-D1033 PolarHBondContact OG-N 2.88Å; S1030-D1033 PolarHBondContact OG-OD2 3.34Å; S1030-Y1034 PolarHBondContact O-N 2.87Å
1031L63.7Low66.9Low136 Ų136110.9 Ų110.971%0.71256%0.561SS**Hα-helixtrans-56.9-30175.7-165.384.8000112.1Q1035L1031-Q1035 WeakPolarHBondContact O-CG 3.37Å; L1031-Q1035 PolarHBondContact O-N 2.8Å
1032Y70Confident67.7Low174 Ų174109.6 Ų109.668%0.68256%0.556SS**Hα-helixtrans-68.6-42.4-179.7-176.1-91.3000112.1S1030 Y1034 Q1035 S1036S1030-Y1032 PolarHBondContact O-N 3.32Å; S1030-Y1032 VanDerWaalsContact O-N 3.14Å; S1030-Y1032 PolarHBondContact OG-N 3.47Å; Y1032-Y1034 VanDerWaalsContact C-N 3.31Å; Y1032-Y1034 PolarHBondContact O-N 3.27Å; Y1032-Q1035 PolarHBondContact O-N 3.27Å; Y1032-S1036 WeakPolarHBondContact O-CB 3.45Å; Y1032-S1036 PolarHBondContact O-N 2.75Å
1033D68.9Low68.3Low88 Ų88108.5 Ų108.547%0.47156%0.558SS.*Hα-helixtrans-66.1-38.1177.8-55.4-51.6000110.7V1029 S1030 S1036 L1037V1029-D1033 HydrophobicContact CG1-CB 4.02Å; S1030-D1033 WeakPolarHBondContact CB-OD2 3.21Å; S1030-D1033 PolarHBondContact O-N 2.88Å; S1030-D1033 PolarHBondContact OG-N 2.88Å; S1030-D1033 PolarHBondContact OG-OD2 3.34Å; D1033-S1036 PolarHBondContact O-N 2.75Å; D1033-L1037 WeakPolarHBondContact O-CB 3.46Å; D1033-L1037 PolarHBondContact O-N 2.82Å
1034Y62.6Low68.6Low139 Ų139108.9 Ų108.955%0.54557%0.565SS.*Hα-helixtrans-62.6-45.7173.7-118.6-81000112.3V1029 S1030 Y1032 S1036 L1037 E1038V1029-Y1034 HydrophobicContact CG1-CD2 4.14Å; S1030-Y1034 PolarHBondContact O-N 2.87Å; Y1032-Y1034 VanDerWaalsContact C-N 3.31Å; Y1032-Y1034 PolarHBondContact O-N 3.27Å; Y1034-S1036 VanDerWaalsContact C-N 3.35Å; Y1034-L1037 PolarHBondContact O-N 3.38Å; Y1034-E1038 WeakPolarHBondContact O-CB 3.47Å; Y1034-E1038 PolarHBondContact O-N 2.64Å
1035Q73.9Confident69.6Low101 Ų101107.8 Ų107.847%0.47256%0.563SS.*Hα-helixtrans-66.8-34.3176.2-75.5-177.8-2400112.7L1031 Y1032 N1039L1031-Q1035 WeakPolarHBondContact O-CG 3.37Å; L1031-Q1035 PolarHBondContact O-N 2.8Å; Y1032-Q1035 PolarHBondContact O-N 3.27Å; Q1035-N1039 WeakPolarHBondContact O-CB 3.31Å; Q1035-N1039 VanDerWaalsContact O-CG 3.22Å; Q1035-N1039 PolarHBondContact O-N 3.27Å; Q1035-N1039 PolarHBondContact O-ND2 3.49Å
1036S74.5Confident70.7Confident57 Ų57108.7 Ų108.740%0.39956%0.564SS.*Hα-helixtrans-65.2-43.8174-1640000111.2Y1032 D1033 Y1034 N1039 E1040Y1032-S1036 WeakPolarHBondContact O-CB 3.45Å; Y1032-S1036 PolarHBondContact O-N 2.75Å; D1033-S1036 PolarHBondContact O-N 2.75Å; Y1034-S1036 VanDerWaalsContact C-N 3.35Å; S1036-N1039 PolarHBondContact O-N 3.07Å; S1036-E1040 PolarHBondContact O-N 3.27Å
1037L70.4Confident71.7Confident111 Ų111109.6 Ų109.658%0.58156%0.558SS**Hα-helixtrans-69.4-35.6178.2-157.177.2000112.3D1033 Y1034 E1040 M1041D1033-L1037 WeakPolarHBondContact O-CB 3.46Å; D1033-L1037 PolarHBondContact O-N 2.82Å; Y1034-L1037 PolarHBondContact O-N 3.38Å; L1037-E1040 PolarHBondContact O-N 2.72Å; L1037-M1041 WeakPolarHBondContact O-CB 3.32Å; L1037-M1041 PolarHBondContact O-N 3Å
1038E75.9Confident72.8Confident112 Ų112109.7 Ų109.752%0.52356%0.561SS.*Hα-helixtrans-64.6-41.1173.1-176172.1-152.500111.5Y1034 M1041 N1042Y1034-E1038 WeakPolarHBondContact O-CB 3.47Å; Y1034-E1038 PolarHBondContact O-N 2.64Å; E1038-M1041 PolarHBondContact O-N 2.87Å; E1038-N1042 WeakPolarHBondContact O-CB 3.29Å; E1038-N1042 VanDerWaalsContact O-CG 3.28Å; E1038-N1042 PolarHBondContact O-N 3.09Å; E1038-N1042 PolarHBondContact O-ND2 3.43Å; E1038-N1042 VanDerWaalsContact O-ND2 3.1Å
1039N79.5Confident74.2Confident107 Ų107109.8 Ų109.857%0.57255%0.547SS*.Hα-helixtrans-67.2-41.9174.9-72.7-36.5000112.5Q1035 S1036 N1042 S1043Q1035-N1039 WeakPolarHBondContact O-CB 3.31Å; Q1035-N1039 VanDerWaalsContact O-CG 3.22Å; Q1035-N1039 PolarHBondContact O-N 3.27Å; Q1035-N1039 PolarHBondContact O-ND2 3.49Å; S1036-N1039 PolarHBondContact O-N 3.07Å; N1039-N1042 PolarHBondContact O-N 3.06Å; N1039-S1043 PolarHBondContact O-N 2.87Å
1040E79.4Confident75.7Confident128 Ų128111.5 Ų111.560%0.59855%0.55SS*.Hα-helixtrans-62.7-42.5172.6-77.2-171.115600111.7S1036 L1037 N1042 S1043 L1044S1036-E1040 PolarHBondContact O-N 3.27Å; L1037-E1040 PolarHBondContact O-N 2.72Å; E1040-N1042 PolarHBondContact O-N 3.07Å; E1040-S1043 WeakPolarHBondContact O-CB 3.33Å; E1040-S1043 PolarHBondContact O-N 2.9Å; E1040-L1044 WeakPolarHBondContact O-CB 3.23Å; E1040-L1044 PolarHBondContact O-N 3.29Å
1041M75.5Confident76.3Confident136 Ų136112.5 Ų112.567%0.6755%0.554SS**Hα-helixtrans-68-34.7178.1-173.614866.100112.7L1037 E1038 L1044 K1045L1037-M1041 WeakPolarHBondContact O-CB 3.32Å; L1037-M1041 PolarHBondContact O-N 3Å; E1038-M1041 PolarHBondContact O-N 2.87Å; M1041-L1044 PolarHBondContact O-N 3.48Å; M1041-K1045 VanDerWaalsContact O-CB 3.25Å; M1041-K1045 WeakPolarHBondContact O-CB 3.38Å; M1041-K1045 PolarHBondContact O-N 2.69Å
1042N81.4Confident77Confident81 Ų81110 Ų11043%0.43354%0.54SS..Hα-helixtrans-64.9-44.7171.1-74.9-36.5000111.3E1038 N1039 E1040 L1044 K1045 E1046E1038-N1042 WeakPolarHBondContact O-CB 3.29Å; E1038-N1042 VanDerWaalsContact O-CG 3.28Å; E1038-N1042 PolarHBondContact O-N 3.09Å; E1038-N1042 PolarHBondContact O-ND2 3.43Å; E1038-N1042 VanDerWaalsContact O-ND2 3.1Å; N1039-N1042 PolarHBondContact O-N 3.06Å; E1040-N1042 PolarHBondContact O-N 3.07Å; N1042-L1044 PolarHBondContact O-N 3.14Å; N1042-K1045 PolarHBondContact O-N 2.84Å; N1042-E1046 PolarHBondContact O-N 3.14Å
1043S82.3Confident77.5Confident64 Ų64108.2 Ų108.245%0.44854%0.538SS..Hα-helixtrans-59.5-44.1174.5-168.20000112.1N1039 E1040 K1045 E1046 E1047N1039-S1043 PolarHBondContact O-N 2.87Å; E1040-S1043 WeakPolarHBondContact O-CB 3.33Å; E1040-S1043 PolarHBondContact O-N 2.9Å; S1043-K1045 VanDerWaalsContact C-N 3.33Å; S1043-K1045 PolarHBondContact O-N 2.85Å; S1043-E1046 PolarHBondContact O-N 3.46Å; S1043-E1047 PolarHBondContact O-N 3.17Å
1044L78.1Confident77.9Confident119 Ų119110.2 Ų110.262%0.62354%0.543SS*.Hα-helixtrans-67.4-34.2179.4-146.486.2000112.3E1040 M1041 N1042 E1046 L1048E1040-L1044 WeakPolarHBondContact O-CB 3.23Å; E1040-L1044 PolarHBondContact O-N 3.29Å; M1041-L1044 PolarHBondContact O-N 3.48Å; N1042-L1044 PolarHBondContact O-N 3.14Å; L1044-E1046 VanDerWaalsContact C-N 3.35Å; L1044-L1048 WeakPolarHBondContact O-CB 3.33Å; L1044-L1048 PolarHBondContact O-N 3.44Å
1045K83.8Confident78.4Confident133 Ų133108.1 Ų108.158%0.57854%0.54SS*.Hα-helixtrans-69-34.6175.7-172178.9-177.5-178.10111.9M1041 N1042 S1043 H1049M1041-K1045 VanDerWaalsContact O-CB 3.25Å; M1041-K1045 WeakPolarHBondContact O-CB 3.38Å; M1041-K1045 PolarHBondContact O-N 2.69Å; N1042-K1045 PolarHBondContact O-N 2.84Å; S1043-K1045 VanDerWaalsContact C-N 3.33Å; S1043-K1045 PolarHBondContact O-N 2.85Å; K1045-H1049 PolarHBondContact O-N 3.29Å
1046E82.7Confident78.4Confident137 Ų137107.5 Ų107.564%0.6454%0.54SS*.Hα-helixtrans-73-41.2176-150.2160.2-14400111.3N1042 S1043 L1044 H1049 Q1050N1042-E1046 PolarHBondContact O-N 3.14Å; S1043-E1046 PolarHBondContact O-N 3.46Å; L1044-E1046 VanDerWaalsContact C-N 3.35Å; E1046-H1049 PolarHBondContact O-N 3.33Å; E1046-Q1050 PolarHBondContact O-N 3.08Å
1047E79.9Confident78.4Confident115 Ų115110.8 Ų110.854%0.53755%0.549SS..Hα-helixtrans-60.2-43.9168.8-74.4-170.1167.400112.2S1043 H1049 Q1050 V1051S1043-E1047 PolarHBondContact O-N 3.17Å; E1047-H1049 VanDerWaalsContact C-N 3.3Å; E1047-H1049 PolarHBondContact O-N 3.27Å; E1047-Q1050 PolarHBondContact O-N 3.37Å; E1047-V1051 WeakPolarHBondContact O-CG2 3.11Å; E1047-V1051 PolarHBondContact O-N 2.98Å
1048L79.6Confident78.3Confident105 Ų105113.9 Ų113.955%0.5555%0.554SS.*Hα-helixtrans-63.6-35.4177.2-175.363.8000112.1L1044 V1051 L1052L1044-L1048 WeakPolarHBondContact O-CB 3.33Å; L1044-L1048 PolarHBondContact O-N 3.44Å; L1048-V1051 PolarHBondContact O-N 3.45Å; L1048-L1052 HydrophobicContact CG-CD1 4.29Å; L1048-L1052 WeakPolarHBondContact O-CB 3.37Å; L1048-L1052 PolarHBondContact O-N 2.88Å
1049H82.6Confident78.1Confident131 Ų131115 Ų11561%0.60656%0.558SS**Hα-helixtrans-63.6-45.7171.7-105.853.4000111.9K1045 E1046 E1047 V1051 L1052 E1053K1045-H1049 PolarHBondContact O-N 3.29Å; E1046-H1049 PolarHBondContact O-N 3.33Å; E1047-H1049 VanDerWaalsContact C-N 3.3Å; E1047-H1049 PolarHBondContact O-N 3.27Å; H1049-V1051 VanDerWaalsContact C-N 3.3Å; H1049-V1051 PolarHBondContact O-N 3.38Å; H1049-L1052 PolarHBondContact O-N 3.13Å; H1049-E1053 WeakPolarHBondContact O-CB 3.48Å; H1049-E1053 PolarHBondContact O-N 2.73Å
1050Q82.7Confident77.8Confident112 Ų112114.3 Ų114.352%0.52356%0.557SS.*Hα-helixtrans-63.6-34.4176.4-68.317926.400112.9E1046 E1047 K1054E1046-Q1050 PolarHBondContact O-N 3.08Å; E1047-Q1050 PolarHBondContact O-N 3.37Å; Q1050-K1054 WeakPolarHBondContact O-CG 3.3Å; Q1050-K1054 PolarHBondContact O-N 3.12Å; Q1050-K1054 VanDerWaalsContact O-N 3.12Å
1051V75.5Confident77.3Confident77 Ų77113.6 Ų113.647%0.46756%0.557SS.*Hα-helixtrans-70.2-42.3174.4172.10000111E1047 L1048 H1049 E1053 K1054 I1055E1047-V1051 WeakPolarHBondContact O-CG2 3.11Å; E1047-V1051 PolarHBondContact O-N 2.98Å; L1048-V1051 PolarHBondContact O-N 3.45Å; H1049-V1051 VanDerWaalsContact C-N 3.3Å; H1049-V1051 PolarHBondContact O-N 3.38Å; V1051-E1053 VanDerWaalsContact C-N 3.33Å; V1051-E1053 PolarHBondContact O-N 2.93Å; V1051-K1054 PolarHBondContact O-N 2.95Å; V1051-I1055 HydrophobicContact CG1-CD1 3.8Å; V1051-I1055 HydrophobicContact CG1-CG1 4.47Å; V1051-I1055 WeakPolarHBondContact O-CB 3.43Å; V1051-I1055 VanDerWaalsContact O-CG1 3.25Å; V1051-I1055 WeakPolarHBondContact O-CG1 3.26Å; V1051-I1055 PolarHBondContact O-N 2.85Å
1052L77.2Confident76.8Confident82 Ų82111.1 Ų111.143%0.42955%0.55SS..Hα-helixtrans-63-37.6173.9-85.3163.6000112.6L1048 H1049 I1055 N1056L1048-L1052 HydrophobicContact CG-CD1 4.29Å; L1048-L1052 WeakPolarHBondContact O-CB 3.37Å; L1048-L1052 PolarHBondContact O-N 2.88Å; H1049-L1052 PolarHBondContact O-N 3.13Å; L1052-I1055 PolarHBondContact O-N 2.7Å; L1052-N1056 PolarHBondContact O-N 3.09Å; L1052-N1056 PolarHBondContact O-ND2 2.72Å
1053E80.3Confident76.1Confident137 Ų137111.6 Ų111.664%0.6455%0.549SS*.Hα-helixtrans-65.2-46.2176.5-162170.5-139.600111.1H1049 V1051 I1055 N1056 E1057H1049-E1053 WeakPolarHBondContact O-CB 3.48Å; H1049-E1053 PolarHBondContact O-N 2.73Å; V1051-E1053 VanDerWaalsContact C-N 3.33Å; V1051-E1053 PolarHBondContact O-N 2.93Å; E1053-I1055 VanDerWaalsContact C-N 3.34Å; E1053-I1055 PolarHBondContact O-N 2.81Å; E1053-N1056 CarbonylContact O-C 3.55Å; E1053-N1056 WeakPolarHBondContact O-CA 3.43Å; E1053-N1056 WeakPolarHBondContact O-CB 3.43Å; E1053-N1056 PolarHBondContact O-N 3.32Å; E1053-N1056 VanDerWaalsContact O-N 3.08Å; E1053-E1057 PolarHBondContact O-N 2.68Å
1054K78.1Confident75.6Confident131 Ų131116.2 Ų116.257%0.5756%0.558SS**Hα-helixtrans-63.5-34.7172.5-75.8176.1178.6169.10114Q1050 V1051 N1056 E1057 Y1058Q1050-K1054 WeakPolarHBondContact O-CG 3.3Å; Q1050-K1054 PolarHBondContact O-N 3.12Å; Q1050-K1054 VanDerWaalsContact O-N 3.12Å; V1051-K1054 PolarHBondContact O-N 2.95Å; K1054-N1056 VanDerWaalsContact C-N 3.32Å; K1054-E1057 PolarHBondContact O-N 2.87Å; K1054-Y1058 PolarHBondContact O-N 2.98Å
1055I72.2Confident74.7Confident94 Ų94112.8 Ų112.848%0.48255%0.547SS..Hα-helixtrans-68-35.2173.3-72.2167.8000110.2V1051 L1052 E1053 K1059V1051-I1055 HydrophobicContact CG1-CD1 3.8Å; V1051-I1055 HydrophobicContact CG1-CG1 4.47Å; V1051-I1055 WeakPolarHBondContact O-CB 3.43Å; V1051-I1055 VanDerWaalsContact O-CG1 3.25Å; V1051-I1055 WeakPolarHBondContact O-CG1 3.26Å; V1051-I1055 PolarHBondContact O-N 2.85Å; L1052-I1055 PolarHBondContact O-N 2.7Å; E1053-I1055 VanDerWaalsContact C-N 3.34Å; E1053-I1055 PolarHBondContact O-N 2.81Å; I1055-K1059 WeakPolarHBondContact O-CB 3.48Å; I1055-K1059 PolarHBondContact O-N 3.21Å
1056N74.2Confident73.4Confident88 Ų88108.4 Ų108.447%0.47153%0.533SS..Hα-helixtrans-70.8-36.3173.6-79.9-28.8000112.8L1052 E1053 K1054 K1059 T1060L1052-N1056 PolarHBondContact O-N 3.09Å; L1052-N1056 PolarHBondContact O-ND2 2.72Å; E1053-N1056 CarbonylContact O-C 3.55Å; E1053-N1056 WeakPolarHBondContact O-CA 3.43Å; E1053-N1056 WeakPolarHBondContact O-CB 3.43Å; E1053-N1056 PolarHBondContact O-N 3.32Å; E1053-N1056 VanDerWaalsContact O-N 3.08Å; K1054-N1056 VanDerWaalsContact C-N 3.32Å; N1056-K1059 PolarHBondContact O-N 3.09Å; N1056-T1060 WeakPolarHBondContact O-CB 3.27Å; N1056-T1060 PolarHBondContact O-N 3.49Å; N1056-T1060 PolarHBondContact O-OG1 2.89Å
1057E75.7Confident72.3Confident126 Ų126106.1 Ų106.159%0.58953%0.525SS*.Hα-helixtrans-58.3-54.5168.5-73.4-175.7139.100110.4E1053 K1054 K1059 T1060 D1061E1053-E1057 PolarHBondContact O-N 2.68Å; K1054-E1057 PolarHBondContact O-N 2.87Å; E1057-K1059 VanDerWaalsContact C-N 3.27Å; E1057-K1059 PolarHBondContact O-N 3.09Å; E1057-T1060 WeakPolarHBondContact O-CA 3.19Å; E1057-T1060 WeakPolarHBondContact O-CB 3.43Å; E1057-T1060 PolarHBondContact O-N 3.26Å; E1057-D1061 PolarHBondContact O-N 3.23Å
1058Y68Low71.3Confident177 Ų177105.5 Ų105.569%0.69453%0.525SS*.Hα-helixtrans-57.9-37.3176.5-106.1-78000113.2K1054 T1060 D1061 V1062K1054-Y1058 PolarHBondContact O-N 2.98Å; Y1058-T1060 VanDerWaalsContact C-N 3.31Å; Y1058-D1061 PolarHBondContact O-N 3.37Å; Y1058-V1062 WeakPolarHBondContact O-CB 3.44Å; Y1058-V1062 VanDerWaalsContact O-CG2 3.28Å; Y1058-V1062 WeakPolarHBondContact O-CG2 3.18Å; Y1058-V1062 PolarHBondContact O-N 3.31Å
1059K71.6Confident69.9Low135 Ų135103.6 Ų103.659%0.58752%0.515SS*.Hα-helixtrans-66.2-35174.5-175.8-177.5175.8-172.40111.4I1055 N1056 E1057 Q1063I1055-K1059 WeakPolarHBondContact O-CB 3.48Å; I1055-K1059 PolarHBondContact O-N 3.21Å; N1056-K1059 PolarHBondContact O-N 3.09Å; E1057-K1059 VanDerWaalsContact C-N 3.27Å; E1057-K1059 PolarHBondContact O-N 3.09Å; K1059-Q1063 WeakPolarHBondContact O-CB 3.29Å; K1059-Q1063 PolarHBondContact O-N 3.07Å
1060T73.9Confident68.3Low93 Ų9399.3 Ų99.357%0.57150%0.502SS*.Hα-helixtrans-71.8-40.2177.7-51.90000110.9N1056 E1057 Y1058 Q1063 Y1064N1056-T1060 WeakPolarHBondContact O-CB 3.27Å; N1056-T1060 PolarHBondContact O-N 3.49Å; N1056-T1060 PolarHBondContact O-OG1 2.89Å; E1057-T1060 WeakPolarHBondContact O-CA 3.19Å; E1057-T1060 WeakPolarHBondContact O-CB 3.43Å; E1057-T1060 PolarHBondContact O-N 3.26Å; Y1058-T1060 VanDerWaalsContact C-N 3.31Å; T1060-Q1063 PolarHBondContact O-N 3.3Å; T1060-Y1064 PolarHBondContact O-N 2.88Å
1061D67.2Low66.8Low112 Ų11298.6 Ų98.660%0.59951%0.508SS*.Hα-helixtrans-63-43.9172.7-73.2-18.6000111.8E1057 Y1058 Y1064 A1065E1057-D1061 PolarHBondContact O-N 3.23Å; Y1058-D1061 PolarHBondContact O-N 3.37Å; D1061-Y1064 PolarHBondContact O-N 2.83Å; D1061-A1065 PolarHBondContact O-N 2.9Å
1062V65.6Low65.4Low84 Ų8499.9 Ų99.951%0.50951%0.511SS..Hα-helixtrans-66.7-37.3174.2171.60000111.2Y1058 A1065 C1066Y1058-V1062 WeakPolarHBondContact O-CB 3.44Å; Y1058-V1062 VanDerWaalsContact O-CG2 3.28Å; Y1058-V1062 WeakPolarHBondContact O-CG2 3.18Å; Y1058-V1062 PolarHBondContact O-N 3.31Å; V1062-A1065 PolarHBondContact O-N 3.18Å; V1062-C1066 WeakPolarHBondContact O-CB 3.39Å; V1062-C1066 PolarHBondContact O-N 3.29Å; V1062-C1066 PolarHBondContact O-SG 2.98Å
1063Q67.8Low64.2Low91 Ų9199.3 Ų99.343%0.42551%0.508SS..Hα-helixtrans-64.3-42.7174.9-170.766.152.400110.5K1059 T1060 A1065 C1066 D1067K1059-Q1063 WeakPolarHBondContact O-CB 3.29Å; K1059-Q1063 PolarHBondContact O-N 3.07Å; T1060-Q1063 PolarHBondContact O-N 3.3Å; Q1063-A1065 VanDerWaalsContact C-N 3.31Å; Q1063-A1065 PolarHBondContact O-N 2.81Å; Q1063-C1066 CarbonylContact O-C 3.56Å; Q1063-C1066 WeakPolarHBondContact O-CA 3.37Å; Q1063-C1066 WeakPolarHBondContact O-CB 3.5Å; Q1063-C1066 PolarHBondContact O-N 3.1Å; Q1063-C1066 VanDerWaalsContact O-N 3.08Å; Q1063-D1067 PolarHBondContact NE2-OD1 3.4Å; Q1063-D1067 WeakPolarHBondContact O-CB 3.32Å; Q1063-D1067 PolarHBondContact O-N 3.2Å
1064Y70Confident62.7Low162 Ų16299.7 Ų99.764%0.63551%0.514SS*.Hα-helixtrans-61.5-38.1174.2-178.1-100.4000112.2T1060 D1061 D1067 N1068T1060-Y1064 PolarHBondContact O-N 2.88Å; D1061-Y1064 PolarHBondContact O-N 2.83Å; Y1064-D1067 PolarHBondContact O-N 3.14Å; Y1064-N1068 VanDerWaalsContact CE1-ND2 3.35Å; Y1064-N1068 WeakPolarHBondContact CE1-ND2 3.37Å; Y1064-N1068 PolarHBondContact O-N 2.89Å; Y1064-N1068 VanDerWaalsContact O-N 3.1Å; Y1064-N1068 PolarHBondContact O-ND2 2.91Å
1065A60.7Low61Low47 Ų47101.8 Ų101.839%0.38852%0.523SS..Hα-helixtrans-65.8-40171.800000112.3D1061 V1062 Q1063 L1069D1061-A1065 PolarHBondContact O-N 2.9Å; V1062-A1065 PolarHBondContact O-N 3.18Å; Q1063-A1065 VanDerWaalsContact C-N 3.31Å; Q1063-A1065 PolarHBondContact O-N 2.81Å; A1065-L1069 WeakPolarHBondContact O-CG 3.28Å; A1065-L1069 PolarHBondContact O-N 3.06Å; A1065-L1069 VanDerWaalsContact O-N 3.16Å
1066C55.3Low59.5Low41 Ų41102 Ų10228%0.27753%0.526SS..Hα-helixtrans-67.4-36.7174.4-66.10000112.5V1062 Q1063 L1069 A1070 L1073V1062-C1066 WeakPolarHBondContact O-CB 3.39Å; V1062-C1066 PolarHBondContact O-N 3.29Å; V1062-C1066 PolarHBondContact O-SG 2.98Å; Q1063-C1066 CarbonylContact O-C 3.56Å; Q1063-C1066 WeakPolarHBondContact O-CA 3.37Å; Q1063-C1066 WeakPolarHBondContact O-CB 3.5Å; Q1063-C1066 PolarHBondContact O-N 3.1Å; Q1063-C1066 VanDerWaalsContact O-N 3.08Å; C1066-L1069 CarbonylContact O-C 3.59Å; C1066-L1069 VanDerWaalsContact O-CA 3.28Å; C1066-L1069 WeakPolarHBondContact O-CA 3.42Å; C1066-L1069 WeakPolarHBondContact O-CB 3.44Å; C1066-L1069 PolarHBondContact O-N 3.42Å; C1066-A1070 PolarHBondContact O-N 2.89Å; C1066-L1073 HydrophobicContact CB-CD1 4.21Å; C1066-L1073 VanDerWaalsContact O-CD1 3.25Å; C1066-L1073 WeakPolarHBondContact O-CD1 3.45Å
1067D61.1Low57.8Low88 Ų88104.9 Ų104.947%0.47154%0.536SS..Hα-helixtrans-71.4-33.3-179.6-68-13.2000110.9Q1063 Y1064 L1069 A1070Q1063-D1067 PolarHBondContact NE2-OD1 3.4Å; Q1063-D1067 WeakPolarHBondContact O-CB 3.32Å; Q1063-D1067 PolarHBondContact O-N 3.2Å; Y1064-D1067 PolarHBondContact O-N 3.14Å; D1067-L1069 VanDerWaalsContact C-N 3.27Å; D1067-A1070 WeakPolarHBondContact O-CB 3.43Å; D1067-A1070 PolarHBondContact O-N 2.85Å; D1067-A1070 VanDerWaalsContact O-N 3.07Å
1068N58.4Low56.1Low103 Ų103102.3 Ų102.355%0.55153%0.532SS*.Hα-helixtrans-71.5-22.6168-74.9-72.8000112.8Y1064Y1064-N1068 VanDerWaalsContact CE1-ND2 3.35Å; Y1064-N1068 WeakPolarHBondContact CE1-ND2 3.37Å; Y1064-N1068 PolarHBondContact O-N 2.89Å; Y1064-N1068 VanDerWaalsContact O-N 3.1Å; Y1064-N1068 PolarHBondContact O-ND2 2.91Å
1069L50.6Low54.8Low64 Ų6497.8 Ų97.834%0.33552%0.523SS..THydrogen-bonded Turntrans-85.9-2.2166.5-70.3163.2000112.9A1065 C1066 D1067 P1071 L1072 L1073 I1170A1065-L1069 WeakPolarHBondContact O-CG 3.28Å; A1065-L1069 PolarHBondContact O-N 3.06Å; A1065-L1069 VanDerWaalsContact O-N 3.16Å; C1066-L1069 CarbonylContact O-C 3.59Å; C1066-L1069 VanDerWaalsContact O-CA 3.28Å; C1066-L1069 WeakPolarHBondContact O-CA 3.42Å; C1066-L1069 WeakPolarHBondContact O-CB 3.44Å; C1066-L1069 PolarHBondContact O-N 3.42Å; D1067-L1069 VanDerWaalsContact C-N 3.27Å; L1069-P1071 VanDerWaalsContact C-CD 3.44Å; L1069-L1072 HydrophobicContact CD2-CD1 4.13Å; L1069-L1072 CarbonylContact O-C 3.54Å; L1069-L1072 WeakPolarHBondContact O-CA 3.37Å; L1069-L1072 WeakPolarHBondContact O-CB 3.44Å; L1069-L1072 PolarHBondContact O-N 3.3Å; L1069-L1073 HydrophobicContact CB-CD1 4.32Å; L1069-L1073 PolarHBondContact O-N 3.05Å; L1069-I1170 HydrophobicContact CD2-CD1 4.32Å
1070A48Very low53.6Low41 Ų4193.8 Ų93.834%0.33952%0.515SS..THydrogen-bonded Turntrans-55.8-37.4-173.500000115.1C1066 D1067 L1072 L1073 L1074C1066-A1070 PolarHBondContact O-N 2.89Å; D1067-A1070 WeakPolarHBondContact O-CB 3.43Å; D1067-A1070 PolarHBondContact O-N 2.85Å; D1067-A1070 VanDerWaalsContact O-N 3.07Å; A1070-L1072 PolarHBondContact O-N 3.22Å; A1070-L1073 PolarHBondContact O-N 3.3Å; A1070-L1073 VanDerWaalsContact O-N 3.11Å; A1070-L1074 PolarHBondContact O-N 3.2Å
1071P52.4Low52.1Low97 Ų9796 Ų9663%0.6352%0.523SS*.THydrogen-bonded Turntrans-63.3-23.9174.1-22.834.8000114.5L1069L1069-P1071 VanDerWaalsContact C-CD 3.44Å
1072L46.1Very low52.2Low105 Ų10598 Ų9855%0.5553%0.526SS..THydrogen-bonded Turntrans-91.8-21.6174.2-61.8172.1000112L1069 A1070 L1074 I1174L1069-L1072 HydrophobicContact CD2-CD1 4.13Å; L1069-L1072 CarbonylContact O-C 3.54Å; L1069-L1072 WeakPolarHBondContact O-CA 3.37Å; L1069-L1072 WeakPolarHBondContact O-CB 3.44Å; L1069-L1072 PolarHBondContact O-N 3.3Å; A1070-L1072 PolarHBondContact O-N 3.22Å; L1072-L1074 PolarHBondContact O-N 2.97Å; L1072-I1174 HydrophobicContact CD1-CD1 3.86Å; L1072-I1174 HydrophobicContact CD1-CG1 3.98Å
1073L50.2Low52.4Low70 Ų7097.9 Ų97.937%0.36653%0.525SS..G310 helixtrans-77.82170.6-67.5165.3000113.3C1066 L1069 A1070 F1075 N1076C1066-L1073 HydrophobicContact CB-CD1 4.21Å; C1066-L1073 VanDerWaalsContact O-CD1 3.25Å; C1066-L1073 WeakPolarHBondContact O-CD1 3.45Å; L1069-L1073 HydrophobicContact CB-CD1 4.32Å; L1069-L1073 PolarHBondContact O-N 3.05Å; A1070-L1073 PolarHBondContact O-N 3.3Å; A1070-L1073 VanDerWaalsContact O-N 3.11Å; L1073-F1075 PolarHBondContact O-N 3.14Å; L1073-F1075 VanDerWaalsContact O-N 3.15Å; L1073-N1076 WeakPolarHBondContact CD2-ND2 3.31Å; L1073-N1076 WeakPolarHBondContact O-CA 3.49Å; L1073-N1076 VanDerWaalsContact O-CB 3.3Å; L1073-N1076 WeakPolarHBondContact O-CB 3.09Å; L1073-N1076 PolarHBondContact O-N 3.21Å
1074L50.4Low52.1Low145 Ų14598 Ų9876%0.75953%0.528SS*.G310 helixtrans-66.7-10.2177-86.7165000114.6A1070 L1072 N1076A1070-L1074 PolarHBondContact O-N 3.2Å; L1072-L1074 PolarHBondContact O-N 2.97Å; L1074-N1076 VanDerWaalsContact C-N 3.3Å
1075F41Very low51.9Low174 Ų17493.1 Ų93.176%0.76352%0.515SS*.G310 helixtrans-83.2-2.3165.2-88.5-84.5000114L1073 E1077L1073-F1075 PolarHBondContact O-N 3.14Å; L1073-F1075 VanDerWaalsContact O-N 3.15Å; F1075-E1077 PolarHBondContact O-N 3.17Å
1076N40.7Very low52.3Low99 Ų9994 Ų9453%0.52951%0.514SS..  trans-88.873.2165.7-77.4-17.9000110.9L1073 L1074 S1078L1073-N1076 WeakPolarHBondContact CD2-ND2 3.31Å; L1073-N1076 WeakPolarHBondContact O-CA 3.49Å; L1073-N1076 VanDerWaalsContact O-CB 3.3Å; L1073-N1076 WeakPolarHBondContact O-CB 3.09Å; L1073-N1076 PolarHBondContact O-N 3.21Å; L1074-N1076 VanDerWaalsContact C-N 3.3Å; N1076-S1078 VanDerWaalsContact CA-N 3.26Å; N1076-S1078 PolarHBondContact O-N 3.22Å
1077E38.9Very low53.1Low148 Ų14895.7 Ų95.769%0.69252%0.52SS*.  -7259.1125.5-80.8-161.6165.600108.1F1075 V1079F1075-E1077 PolarHBondContact O-N 3.17Å; E1077-V1079 PolarHBondContact O-N 3Å
1078S39.7Very low53.6Low72 Ų7294.8 Ų94.850%0.50352%0.517SS..  trans-70.288.5168.560.90000105.6N1076 A1080N1076-S1078 VanDerWaalsContact CA-N 3.26Å; N1076-S1078 PolarHBondContact O-N 3.22Å; S1078-A1080 VanDerWaalsContact C-N 3.29Å; S1078-A1080 WeakPolarHBondContact O-CA 3.29Å; S1078-A1080 PolarHBondContact O-N 2.89Å
1079V41.4Very low54.3Low82 Ų8292.5 Ų92.550%0.49751%0.505SS..  trans-38.9108.6148.9-179.20000104.1E1077 L1081 V1083 L1084E1077-V1079 PolarHBondContact O-N 3Å; V1079-L1081 PolarHBondContact O-N 3.48Å; V1079-V1083 HydrophobicContact CG1-CB 4.01Å; V1079-V1083 HydrophobicContact CG1-CG1 3.78Å; V1079-L1084 HydrophobicContact CB-CB 4.3Å; V1079-L1084 HydrophobicContact CB-CD1 4.06Å; V1079-L1084 HydrophobicContact CG1-CB 3.8Å; V1079-L1084 HydrophobicContact CG1-CD1 4.2Å; V1079-L1084 HydrophobicContact CG1-CG 4.42Å
1080A46.4Very low55.5Low51 Ų5193.8 Ų93.842%0.42151%0.511SS..  trans-49.6133.1-164.100000107.4S1078 K1082 V1083 L1084S1078-A1080 VanDerWaalsContact C-N 3.29Å; S1078-A1080 WeakPolarHBondContact O-CA 3.29Å; S1078-A1080 PolarHBondContact O-N 2.89Å; A1080-K1082 CarbonylContact O-C 3.6Å; A1080-K1082 VanDerWaalsContact O-C 3.29Å; A1080-K1082 PolarHBondContact O-N 3Å; A1080-V1083 HydrophobicContact CB-CB 4.45Å; A1080-V1083 HydrophobicContact CB-CG2 4.17Å; A1080-V1083 WeakPolarHBondContact O-CA 3.42Å; A1080-V1083 PolarHBondContact O-N 3.3Å; A1080-L1084 PolarHBondContact O-N 2.85Å
1081L43.6Very low56.8Low141 Ų14197.9 Ų97.974%0.73852%0.521SS*.Hα-helixtrans-56.8-27.2-167-155.4146.9000111V1079 V1085V1079-L1081 PolarHBondContact O-N 3.48Å; L1081-V1085 HydrophobicContact CD2-CG2 3.88Å; L1081-V1085 WeakPolarHBondContact O-CB 3.42Å; L1081-V1085 WeakPolarHBondContact O-CG2 3.47Å; L1081-V1085 PolarHBondContact O-N 2.86Å
1082K67.4Low57.5Low153 Ų15396.4 Ų96.467%0.66551%0.507SS*.Hα-helixtrans-56.5-57.5161.6-177.9169-177.71780115.1A1080 L1084 V1085 D1086A1080-K1082 CarbonylContact O-C 3.6Å; A1080-K1082 VanDerWaalsContact O-C 3.29Å; A1080-K1082 PolarHBondContact O-N 3Å; K1082-L1084 VanDerWaalsContact C-N 3.33Å; K1082-L1084 PolarHBondContact O-N 3.26Å; K1082-V1085 CarbonylContact O-C 3.51Å; K1082-V1085 PolarHBondContact O-N 3.43Å; K1082-D1086 VanDerWaalsContact CE-OD2 3.27Å; K1082-D1086 WeakPolarHBondContact CE-OD2 3.49Å; K1082-D1086 VanDerWaalsContact CG-OD2 3.28Å; K1082-D1086 WeakPolarHBondContact CG-OD2 3.46Å; K1082-D1086 VanDerWaalsContact O-CB 3.29Å; K1082-D1086 WeakPolarHBondContact O-CB 3.34Å; K1082-D1086 PolarHBondContact O-N 3.43Å
1083V69.8Low58.8Low82 Ų8294 Ų9450%0.49750%0.495SS..Hα-helixtrans-58.3-41.3176.8175.50000112.1V1079 A1080 D1086 D1087V1079-V1083 HydrophobicContact CG1-CB 4.01Å; V1079-V1083 HydrophobicContact CG1-CG1 3.78Å; A1080-V1083 HydrophobicContact CB-CB 4.45Å; A1080-V1083 HydrophobicContact CB-CG2 4.17Å; A1080-V1083 WeakPolarHBondContact O-CA 3.42Å; A1080-V1083 PolarHBondContact O-N 3.3Å; V1083-D1086 PolarHBondContact O-N 2.82Å; V1083-D1087 WeakPolarHBondContact O-CB 3.42Å; V1083-D1087 PolarHBondContact O-N 2.71Å
1084L62.2Low60.1Low93 Ų9395.1 Ų95.149%0.48750%0.502SS..Hα-helixtrans-69.8-36.3178-160.5142.2000111.2V1079 A1080 K1082 V1088V1079-L1084 HydrophobicContact CB-CB 4.3Å; V1079-L1084 HydrophobicContact CB-CD1 4.06Å; V1079-L1084 HydrophobicContact CG1-CB 3.8Å; V1079-L1084 HydrophobicContact CG1-CD1 4.2Å; V1079-L1084 HydrophobicContact CG1-CG 4.42Å; A1080-L1084 PolarHBondContact O-N 2.85Å; K1082-L1084 VanDerWaalsContact C-N 3.33Å; K1082-L1084 PolarHBondContact O-N 3.26Å; L1084-V1088 HydrophobicContact CD2-CG2 4.19Å; L1084-V1088 WeakPolarHBondContact O-CB 3.23Å; L1084-V1088 WeakPolarHBondContact O-CG2 3.32Å; L1084-V1088 PolarHBondContact O-N 3.4Å
1085V66.3Low61.1Low60 Ų6094.5 Ų94.536%0.36450%0.495SS..Hα-helixtrans-68.6-38.2170.9164.80000112L1081 K1082 V1088 I1089L1081-V1085 HydrophobicContact CD2-CG2 3.88Å; L1081-V1085 WeakPolarHBondContact O-CB 3.42Å; L1081-V1085 WeakPolarHBondContact O-CG2 3.47Å; L1081-V1085 PolarHBondContact O-N 2.86Å; K1082-V1085 CarbonylContact O-C 3.51Å; K1082-V1085 PolarHBondContact O-N 3.43Å; V1085-V1088 PolarHBondContact O-N 3.5Å; V1085-I1089 HydrophobicContact CG1-CD1 3.55Å; V1085-I1089 HydrophobicContact CG1-CG1 4.21Å; V1085-I1089 VanDerWaalsContact O-CB 3.23Å; V1085-I1089 WeakPolarHBondContact O-CB 3.45Å; V1085-I1089 WeakPolarHBondContact O-CG1 3.36Å; V1085-I1089 PolarHBondContact O-N 3.02Å
1086D68.8Low62.6Low66 Ų6687.5 Ų87.535%0.35346%0.464SS..Hα-helixtrans-68.5-44.5179.3-70.2-17.5000109.8K1082 V1083 I1089 I1090K1082-D1086 VanDerWaalsContact CE-OD2 3.27Å; K1082-D1086 WeakPolarHBondContact CE-OD2 3.49Å; K1082-D1086 VanDerWaalsContact CG-OD2 3.28Å; K1082-D1086 WeakPolarHBondContact CG-OD2 3.46Å; K1082-D1086 VanDerWaalsContact O-CB 3.29Å; K1082-D1086 WeakPolarHBondContact O-CB 3.34Å; K1082-D1086 PolarHBondContact O-N 3.43Å; V1083-D1086 PolarHBondContact O-N 2.82Å; D1086-I1089 PolarHBondContact O-N 3.26Å; D1086-I1090 WeakPolarHBondContact O-CB 3.38Å; D1086-I1090 VanDerWaalsContact O-CG1 3.24Å; D1086-I1090 WeakPolarHBondContact O-CG1 3.47Å; D1086-I1090 PolarHBondContact O-N 3.45Å
1087D72.9Confident64.2Low76 Ų7686.5 Ų86.541%0.40646%0.458SS..Hα-helixtrans-68.5-35.8176.4-15868.8000112V1083 K1091V1083-D1087 WeakPolarHBondContact O-CB 3.42Å; V1083-D1087 PolarHBondContact O-N 2.71Å; D1087-K1091 WeakPolarHBondContact O-CB 3.3Å; D1087-K1091 WeakPolarHBondContact O-CG 3.38Å; D1087-K1091 PolarHBondContact O-N 2.9Å; D1087-K1091 IonicContact OD2-NZ 3.37Å; D1087-K1091 PolarHBondContact OD2-NZ 3.12Å
1088V70.5Confident66Low69 Ų6985.3 Ų85.342%0.41845%0.449SS..Hα-helixtrans-70.6-35.4170.8167.80000111.9L1084 V1085 L1092L1084-V1088 HydrophobicContact CD2-CG2 4.19Å; L1084-V1088 WeakPolarHBondContact O-CB 3.23Å; L1084-V1088 WeakPolarHBondContact O-CG2 3.32Å; L1084-V1088 PolarHBondContact O-N 3.4Å; V1085-V1088 PolarHBondContact O-N 3.5Å; V1088-L1092 HydrophobicContact CG1-CD1 3.81Å; V1088-L1092 HydrophobicContact CG1-CG 4.31Å; V1088-L1092 WeakPolarHBondContact O-CB 3.46Å; V1088-L1092 VanDerWaalsContact O-CG 3.23Å; V1088-L1092 WeakPolarHBondContact O-CG 3.4Å; V1088-L1092 PolarHBondContact O-N 3.28Å
1089I72.8Confident67.1Low55 Ų5585.1 Ų85.128%0.28245%0.447SS..Hα-helixtrans-67.2-43.7173.3-77.8168000109.9V1085 D1086 L1092 N1093V1085-I1089 HydrophobicContact CG1-CD1 3.55Å; V1085-I1089 HydrophobicContact CG1-CG1 4.21Å; V1085-I1089 VanDerWaalsContact O-CB 3.23Å; V1085-I1089 WeakPolarHBondContact O-CB 3.45Å; V1085-I1089 WeakPolarHBondContact O-CG1 3.36Å; V1085-I1089 PolarHBondContact O-N 3.02Å; D1086-I1089 PolarHBondContact O-N 3.26Å; I1089-L1092 PolarHBondContact O-N 3.1Å; I1089-N1093 VanDerWaalsContact O-CB 3.23Å; I1089-N1093 WeakPolarHBondContact O-CB 3.05Å; I1089-N1093 PolarHBondContact O-N 3.17Å
1090I76.3Confident68.2Low91 Ų9184.1 Ų84.147%0.46744%0.439SS..Hα-helixtrans-58.8-52.9174.8-70.7163000109.6D1086 L1092 N1093 D1094D1086-I1090 WeakPolarHBondContact O-CB 3.38Å; D1086-I1090 VanDerWaalsContact O-CG1 3.24Å; D1086-I1090 WeakPolarHBondContact O-CG1 3.47Å; D1086-I1090 PolarHBondContact O-N 3.45Å; I1090-L1092 PolarHBondContact O-N 2.86Å; I1090-N1093 CarbonylContact O-C 3.58Å; I1090-N1093 PolarHBondContact O-N 3.15Å; I1090-D1094 PolarHBondContact O-N 3.16Å
1091K75.9Confident69.4Low127 Ų12784.7 Ų84.755%0.55244%0.44SS*.Hα-helixtrans-61.2-38.9177.2-76.9169.5177.7148.30113.6D1087 N1093 Q1095D1087-K1091 WeakPolarHBondContact O-CB 3.3Å; D1087-K1091 WeakPolarHBondContact O-CG 3.38Å; D1087-K1091 PolarHBondContact O-N 2.9Å; D1087-K1091 IonicContact OD2-NZ 3.37Å; D1087-K1091 PolarHBondContact OD2-NZ 3.12Å; K1091-N1093 VanDerWaalsContact C-N 3.32Å; K1091-Q1095 WeakPolarHBondContact O-CB 3.46Å; K1091-Q1095 PolarHBondContact O-N 3.44Å
1092L66.9Low70.4Confident66 Ų6680.4 Ų80.435%0.34642%0.417SS..Hα-helixtrans-66.7-33.9173.3-81168.6000112V1088 I1089 I1090 K1096V1088-L1092 HydrophobicContact CG1-CD1 3.81Å; V1088-L1092 HydrophobicContact CG1-CG 4.31Å; V1088-L1092 WeakPolarHBondContact O-CB 3.46Å; V1088-L1092 VanDerWaalsContact O-CG 3.23Å; V1088-L1092 WeakPolarHBondContact O-CG 3.4Å; V1088-L1092 PolarHBondContact O-N 3.28Å; I1089-L1092 PolarHBondContact O-N 3.1Å; I1090-L1092 PolarHBondContact O-N 2.86Å; L1092-K1096 WeakPolarHBondContact O-CB 3.43Å; L1092-K1096 PolarHBondContact O-N 3.44Å
1093N73.3Confident70.2Confident53 Ų5377.1 Ų77.128%0.28341%0.407SS..Hα-helixtrans-76.3-38.3178.7-151.329000111.1F970 I1089 I1090 K1091 K1096 N1097F970-N1093 WeakPolarHBondContact CE1-OD1 3.49Å; F970-N1093 WeakPolarHBondContact CZ-OD1 3.24Å; I1089-N1093 VanDerWaalsContact O-CB 3.23Å; I1089-N1093 WeakPolarHBondContact O-CB 3.05Å; I1089-N1093 PolarHBondContact O-N 3.17Å; I1090-N1093 CarbonylContact O-C 3.58Å; I1090-N1093 PolarHBondContact O-N 3.15Å; K1091-N1093 VanDerWaalsContact C-N 3.32Å; N1093-K1096 PolarHBondContact O-N 2.81Å; N1093-N1097 WeakPolarHBondContact O-CB 3.43Å; N1093-N1097 PolarHBondContact O-N 3.4Å; N1093-N1097 PolarHBondContact O-ND2 2.95Å
1094D76.7Confident70Confident95 Ų9575.7 Ų75.751%0.50840%0.399SS..Hα-helixtrans-63.6-45.4170.9-69-21.8000110.9I1090 K1096 N1097 Y1098I1090-D1094 PolarHBondContact O-N 3.16Å; D1094-K1096 VanDerWaalsContact C-N 3.33Å; D1094-K1096 PolarHBondContact O-N 2.85Å; D1094-N1097 PolarHBondContact O-N 3.43Å; D1094-Y1098 WeakPolarHBondContact O-CB 3.07Å; D1094-Y1098 PolarHBondContact O-N 3.1Å
1095Q72.5Confident70.1Confident132 Ų13273.9 Ų73.962%0.61739%0.388SS*.Hα-helixtrans-64.7-35.4174.5-169.3179.91000112.2K1091 S1099K1091-Q1095 WeakPolarHBondContact O-CB 3.46Å; K1091-Q1095 PolarHBondContact O-N 3.44Å; Q1095-S1099 VanDerWaalsContact O-CB 3.26Å; Q1095-S1099 WeakPolarHBondContact O-CB 3.31Å; Q1095-S1099 PolarHBondContact O-N 3.45Å
1096K71.1Confident69.3Low27 Ų2776.2 Ų76.212%0.11739%0.393CS..Hα-helixtrans-68.3-42.2172.9179.3-171.7172.7-166.80111.6F970 L1092 N1093 D1094 S1099 N1100F970-K1096 HydrophobicContact CE1-CD 4.4Å; F970-K1096 HydrophobicContact CZ-CD 4.42Å; F970-K1096 VanDerWaalsContact CZ-NZ 3.28Å; L1092-K1096 WeakPolarHBondContact O-CB 3.43Å; L1092-K1096 PolarHBondContact O-N 3.44Å; N1093-K1096 PolarHBondContact O-N 2.81Å; D1094-K1096 VanDerWaalsContact C-N 3.33Å; D1094-K1096 PolarHBondContact O-N 2.85Å; K1096-S1099 PolarHBondContact O-N 2.87Å; K1096-N1100 WeakPolarHBondContact O-CB 3.37Å; K1096-N1100 VanDerWaalsContact O-CG 3.26Å; K1096-N1100 PolarHBondContact O-N 3.34Å
1097N74.3Confident68.6Low77 Ų7779.3 Ų79.341%0.41241%0.405SS..Hα-helixtrans-64.6-43.1176.3-71.2-24.1000110.7N1093 D1094 N1100 S1101N1093-N1097 WeakPolarHBondContact O-CB 3.43Å; N1093-N1097 PolarHBondContact O-N 3.4Å; N1093-N1097 PolarHBondContact O-ND2 2.95Å; D1094-N1097 PolarHBondContact O-N 3.43Å; N1097-N1100 PolarHBondContact O-N 2.99Å; N1097-S1101 WeakPolarHBondContact O-CB 3.44Å; N1097-S1101 PolarHBondContact O-N 3.04Å
1098Y76.4Confident67.8Low124 Ų12478.8 Ų78.849%0.48641%0.412SS..Hα-helixtrans-60.9-47.2171.2-177.5-102.6000111.7D1094 N1100 S1101 L1102D1094-Y1098 WeakPolarHBondContact O-CB 3.07Å; D1094-Y1098 PolarHBondContact O-N 3.1Å; Y1098-N1100 VanDerWaalsContact C-N 3.31Å; Y1098-N1100 PolarHBondContact O-N 2.9Å; Y1098-S1101 WeakPolarHBondContact O-CB 3.48Å; Y1098-S1101 PolarHBondContact O-N 2.89Å; Y1098-L1102 HydrophobicContact CE1-CD1 4.41Å; Y1098-L1102 WeakPolarHBondContact O-CB 3.44Å; Y1098-L1102 PolarHBondContact O-N 3.32Å
1099S63.5Low67Low67 Ų6778.6 Ų78.647%0.46941%0.408SS..Hα-helixtrans-63.1-34.2176.6-172.50000113Q1095 K1096 N1103Q1095-S1099 VanDerWaalsContact O-CB 3.26Å; Q1095-S1099 WeakPolarHBondContact O-CB 3.31Å; Q1095-S1099 PolarHBondContact O-N 3.45Å; K1096-S1099 PolarHBondContact O-N 2.87Å; S1099-N1103 WeakPolarHBondContact O-CB 3.41Å; S1099-N1103 PolarHBondContact O-N 3.24Å
1100N65.5Low65.9Low61 Ų6182.7 Ų82.733%0.32643%0.43SS..Hα-helixtrans-70.9-41.3175-77.7-9000111.2K1096 N1097 Y1098 N1103 T1104K1096-N1100 WeakPolarHBondContact O-CB 3.37Å; K1096-N1100 VanDerWaalsContact O-CG 3.26Å; K1096-N1100 PolarHBondContact O-N 3.34Å; N1097-N1100 PolarHBondContact O-N 2.99Å; Y1098-N1100 VanDerWaalsContact C-N 3.31Å; Y1098-N1100 PolarHBondContact O-N 2.9Å; N1100-N1103 PolarHBondContact O-N 2.92Å; N1100-T1104 PolarHBondContact O-N 3.32Å; N1100-T1104 PolarHBondContact O-OG1 3.14Å
1101S71.3Confident64.6Low63 Ų6381.4 Ų81.444%0.44144%0.439SS..Hα-helixtrans-59.1-50.3172.2-167.60000110.6N1097 Y1098 N1103 T1104 E1105N1097-S1101 WeakPolarHBondContact O-CB 3.44Å; N1097-S1101 PolarHBondContact O-N 3.04Å; Y1098-S1101 WeakPolarHBondContact O-CB 3.48Å; Y1098-S1101 PolarHBondContact O-N 2.89Å; S1101-N1103 VanDerWaalsContact C-N 3.31Å; S1101-N1103 PolarHBondContact O-N 2.89Å; S1101-T1104 PolarHBondContact O-N 3.47Å; S1101-T1104 VanDerWaalsContact O-N 3.14Å; S1101-T1104 PolarHBondContact O-OG1 3.33Å; S1101-E1105 PolarHBondContact O-N 2.96Å
1102L64.2Low63Low51 Ų5177.9 Ų77.927%0.26743%0.43SS..Hα-helixtrans-61.4-38.5177.5-150.785.5000111.7Y1098 E1105 F1106Y1098-L1102 HydrophobicContact CE1-CD1 4.41Å; Y1098-L1102 WeakPolarHBondContact O-CB 3.44Å; Y1098-L1102 PolarHBondContact O-N 3.32Å; L1102-E1105 PolarHBondContact O-N 2.93Å; L1102-F1106 HydrophobicContact CD2-CD2 4.33Å; L1102-F1106 HydrophobicContact CD2-CE2 3.92Å; L1102-F1106 HydrophobicContact CG-CD2 4.19Å; L1102-F1106 HydrophobicContact CG-CE2 4.12Å; L1102-F1106 WeakPolarHBondContact O-CB 3.4Å; L1102-F1106 VanDerWaalsContact O-CD2 3.26Å; L1102-F1106 WeakPolarHBondContact O-CD2 3.14Å; L1102-F1106 PolarHBondContact O-N 3.32Å
1103N63.7Low61.5Low85 Ų8579 Ų7946%0.45545%0.448SS..Hα-helixtrans-71.3-31.2176.8-17146.7000112.6S1099 N1100 S1101 F1106 Q1107S1099-N1103 WeakPolarHBondContact O-CB 3.41Å; S1099-N1103 PolarHBondContact O-N 3.24Å; N1100-N1103 PolarHBondContact O-N 2.92Å; S1101-N1103 VanDerWaalsContact C-N 3.31Å; S1101-N1103 PolarHBondContact O-N 2.89Å; N1103-F1106 PolarHBondContact O-N 3.02Å; N1103-Q1107 WeakPolarHBondContact O-CG 3.25Å; N1103-Q1107 PolarHBondContact O-N 3.41Å
1104T64.4Low59.9Low52 Ų5283.6 Ų83.632%0.31947%0.473SS..Hα-helixtrans-74.3-34171.519.70000112.1N964 N1100 S1101 A1108N964-T1104 VanDerWaalsContact ND2-CG2 3.32Å; N964-T1104 WeakPolarHBondContact ND2-CG2 3.37Å; N964-T1104 PolarHBondContact ND2-OG1 3.34Å; N964-T1104 WeakPolarHBondContact OD1-CG2 3.43Å; N1100-T1104 PolarHBondContact O-N 3.32Å; N1100-T1104 PolarHBondContact O-OG1 3.14Å; S1101-T1104 PolarHBondContact O-N 3.47Å; S1101-T1104 VanDerWaalsContact O-N 3.14Å; S1101-T1104 PolarHBondContact O-OG1 3.33Å; T1104-A1108 VanDerWaalsContact O-CB 3.3Å; T1104-A1108 WeakPolarHBondContact O-CB 3.46Å; T1104-A1108 PolarHBondContact O-N 3.07Å
1105E64.8Low57.7Low54 Ų5485.1 Ų85.125%0.25249%0.49SS..Hα-helixtrans-62.4-46166.4-72.1-170.1112.300111.4S1101 L1102 Q1107 A1108 I1109 N1216S1101-E1105 PolarHBondContact O-N 2.96Å; L1102-E1105 PolarHBondContact O-N 2.93Å; E1105-Q1107 PolarHBondContact O-N 3.34Å; E1105-A1108 WeakPolarHBondContact O-CB 3.24Å; E1105-A1108 PolarHBondContact O-N 3.31Å; E1105-A1108 VanDerWaalsContact O-N 3.16Å; E1105-I1109 WeakPolarHBondContact O-CB 3.38Å; E1105-I1109 WeakPolarHBondContact O-CD1 3.19Å; E1105-I1109 VanDerWaalsContact O-CG1 3.23Å; E1105-I1109 WeakPolarHBondContact O-CG1 3.25Å; E1105-I1109 PolarHBondContact O-N 2.97Å; E1105-N1216 PolarHBondContact OE1-ND2 3.16Å
1106F50.1Low56.3Low110 Ų11084.4 Ų84.448%0.48250%0.497SS..Hα-helixtrans-62-39.4176.4-91.2-66.1000113L1102 N1103 I1109 L1110L1102-F1106 HydrophobicContact CD2-CD2 4.33Å; L1102-F1106 HydrophobicContact CD2-CE2 3.92Å; L1102-F1106 HydrophobicContact CG-CD2 4.19Å; L1102-F1106 HydrophobicContact CG-CE2 4.12Å; L1102-F1106 WeakPolarHBondContact O-CB 3.4Å; L1102-F1106 VanDerWaalsContact O-CD2 3.26Å; L1102-F1106 WeakPolarHBondContact O-CD2 3.14Å; L1102-F1106 PolarHBondContact O-N 3.32Å; N1103-F1106 PolarHBondContact O-N 3.02Å; F1106-I1109 PolarHBondContact O-N 3.04Å; F1106-L1110 WeakPolarHBondContact O-CB 3.39Å; F1106-L1110 VanDerWaalsContact O-CG 3.27Å; F1106-L1110 WeakPolarHBondContact O-CG 3.47Å; F1106-L1110 PolarHBondContact O-N 3.08Å
1107Q53.6Low54.6Low130 Ų13090 Ų9061%0.60753%0.526SS*.Hα-helixtrans-69.9-34.4173.1-73.2-160.26.100112.7N1103 E1105 I1109 L1110 G1111N1103-Q1107 WeakPolarHBondContact O-CG 3.25Å; N1103-Q1107 PolarHBondContact O-N 3.41Å; E1105-Q1107 PolarHBondContact O-N 3.34Å; Q1107-I1109 VanDerWaalsContact C-N 3.3Å; Q1107-I1109 PolarHBondContact O-N 2.91Å; Q1107-L1110 PolarHBondContact O-N 3.17Å; Q1107-G1111 PolarHBondContact O-N 2.88Å
1108A55.9Low53Low66 Ų6691.7 Ų91.755%0.54554%0.541SS..Hα-helixtrans-65.1-33.8171.900000112.5T1104 E1105T1104-A1108 VanDerWaalsContact O-CB 3.3Å; T1104-A1108 WeakPolarHBondContact O-CB 3.46Å; T1104-A1108 PolarHBondContact O-N 3.07Å; E1105-A1108 WeakPolarHBondContact O-CB 3.24Å; E1105-A1108 PolarHBondContact O-N 3.31Å; E1105-A1108 VanDerWaalsContact O-N 3.16Å
1109I54Low51.7Low64 Ų6494.9 Ų94.933%0.32856%0.561SS.*Hα-helixtrans-72.9-44.6174.7-69.1162.1000111.1E1105 F1106 Q1107 G1111 S1112E1105-I1109 WeakPolarHBondContact O-CB 3.38Å; E1105-I1109 WeakPolarHBondContact O-CD1 3.19Å; E1105-I1109 VanDerWaalsContact O-CG1 3.23Å; E1105-I1109 WeakPolarHBondContact O-CG1 3.25Å; E1105-I1109 PolarHBondContact O-N 2.97Å; F1106-I1109 PolarHBondContact O-N 3.04Å; Q1107-I1109 VanDerWaalsContact C-N 3.3Å; Q1107-I1109 PolarHBondContact O-N 2.91Å; I1109-G1111 PolarHBondContact O-N 2.92Å; I1109-S1112 PolarHBondContact O-N 2.89Å; I1109-S1112 PolarHBondContact O-OG 3.48Å
1110L49Very low51Low142 Ų14295.8 Ų95.874%0.74356%0.564SS**Hα-helixtrans-68.6-18.9178.7-73.9165.6000113.4F1106 Q1107 S1112F1106-L1110 WeakPolarHBondContact O-CB 3.39Å; F1106-L1110 VanDerWaalsContact O-CG 3.27Å; F1106-L1110 WeakPolarHBondContact O-CG 3.47Å; F1106-L1110 PolarHBondContact O-N 3.08Å; Q1107-L1110 PolarHBondContact O-N 3.17Å; L1110-S1112 VanDerWaalsContact C-N 3.25Å; L1110-S1112 PolarHBondContact O-N 2.96Å
1111G48.6Very low50.1Low64 Ų6498.5 Ų98.566%0.6658%0.578SS**THydrogen-bonded Turntrans-78.16.8172.800000115.5Q1107 I1109Q1107-G1111 PolarHBondContact O-N 2.88Å; I1109-G1111 PolarHBondContact O-N 2.92Å
1112S44Very low49.5Very low53 Ų53101.1 Ų101.137%0.37159%0.586SS.*SBendtrans-127.4130.1175.242.90000112.5I1109 L1110I1109-S1112 PolarHBondContact O-N 2.89Å; I1109-S1112 PolarHBondContact O-OG 3.48Å; L1110-S1112 VanDerWaalsContact C-N 3.25Å; L1110-S1112 PolarHBondContact O-N 2.96Å
1113A35.1Very low49.5Very low88 Ų88105 Ų10573%0.72760%0.603SS**  trans-84.2152.2-171.300000114.5
1114N38.7Very low49.1Very low151 Ų151104.7 Ų104.781%0.80761%0.607SS**  trans67.9118.2151.2-64.5-28.3000121.3
1115C30.6Very low49.3Very low126 Ų126106.1 Ų106.185%0.85161%0.612SS**  trans74.4156.5152.3-72.80000119.7
1116P42.6Very low49.7Very low117 Ų117110.5 Ų110.576%0.7663%0.63SS**  cis-129.5171.9-20.632.3-12.6000114.7
1117I35.9Very low50.6Low144 Ų144109.2 Ų109.274%0.73863%0.631SS**  trans-81.5132.1-173.3-61162.7000113.2E1119I1117-E1119 PolarHBondContact O-N 3.39Å
1118P41.4Very low51.4Low113 Ų113107.8 Ų107.873%0.73463%0.626SS**  trans-79.7105.2168.4-17.833.7000115.1T1120P1118-T1120 PolarHBondContact O-N 2.93Å
1119E49.7Very low52.3Low192 Ų192111.7 Ų111.790%0.89763%0.631SS**SBendtrans53.1-25147.8-59.2-163158.400124.3I1117I1117-E1119 PolarHBondContact O-N 3.39Å
1120T47.5Very low53.4Low85 Ų85113.2 Ų113.252%0.52164%0.64SS.*  trans-167.1112.1158.31.60000114.2P1118 D1122 E1123P1118-T1120 PolarHBondContact O-N 2.93Å; T1120-D1122 PolarHBondContact O-N 3.45Å; T1120-E1123 PolarHBondContact O-N 3.19Å
1121L46.2Very low54.4Low119 Ų119109.7 Ų109.762%0.62362%0.622SS**Hα-helixtrans-59.6-35.5175.9-166.174.3000112.5E1123 C1124 I1125L1121-E1123 VanDerWaalsContact C-N 3.33Å; L1121-E1123 PolarHBondContact O-N 3.06Å; L1121-C1124 PolarHBondContact O-N 2.92Å; L1121-I1125 HydrophobicContact CD2-CD1 3.98Å; L1121-I1125 HydrophobicContact CG-CD1 3.76Å; L1121-I1125 HydrophobicContact CG-CG1 4.35Å; L1121-I1125 WeakPolarHBondContact O-CB 3.44Å; L1121-I1125 VanDerWaalsContact O-CG1 3.28Å; L1121-I1125 WeakPolarHBondContact O-CG1 3.33Å; L1121-I1125 PolarHBondContact O-N 3.02Å
1122D60.4Low55.4Low117 Ų117113.8 Ų113.863%0.62662%0.622SS**Hα-helixtrans-64.4-32.8-175.8-124.727.3000113.4T1120 K1126T1120-D1122 PolarHBondContact O-N 3.45Å; D1122-K1126 WeakPolarHBondContact O-CB 3.36Å; D1122-K1126 PolarHBondContact O-N 2.72Å
1123E63.9Low57Low133 Ų133114.2 Ų114.262%0.62163%0.625SS**Hα-helixtrans-80.1-40.5-179.3-163.7127.3-133.400110.9T1120 L1121 K1126 V1127T1120-E1123 PolarHBondContact O-N 3.19Å; L1121-E1123 VanDerWaalsContact C-N 3.33Å; L1121-E1123 PolarHBondContact O-N 3.06Å; E1123-K1126 PolarHBondContact O-N 3.24Å; E1123-V1127 WeakPolarHBondContact O-CG2 3.3Å; E1123-V1127 PolarHBondContact O-N 3.37Å
1124C54.6Low58.7Low78 Ų78114.4 Ų114.453%0.52761%0.614SS.*Hα-helixtrans-60.9-44168.7-73.70000111.7L1121 K1126 V1127 I1128L1121-C1124 PolarHBondContact O-N 2.92Å; C1124-K1126 VanDerWaalsContact C-N 3.32Å; C1124-K1126 PolarHBondContact O-N 3.45Å; C1124-V1127 PolarHBondContact O-N 3.06Å; C1124-I1128 WeakPolarHBondContact O-CB 3.21Å; C1124-I1128 WeakPolarHBondContact O-CD1 3.43Å; C1124-I1128 VanDerWaalsContact O-CG1 3.25Å; C1124-I1128 WeakPolarHBondContact O-CG1 3.28Å; C1124-I1128 PolarHBondContact O-N 3.26Å
1125I68.8Low60.2Low82 Ų82111.6 Ų111.642%0.42159%0.592SS.*Hα-helixtrans-60.4-41.6174.5-72.9170.8000110.7L1121 K1129L1121-I1125 HydrophobicContact CD2-CD1 3.98Å; L1121-I1125 HydrophobicContact CG-CD1 3.76Å; L1121-I1125 HydrophobicContact CG-CG1 4.35Å; L1121-I1125 WeakPolarHBondContact O-CB 3.44Å; L1121-I1125 VanDerWaalsContact O-CG1 3.28Å; L1121-I1125 WeakPolarHBondContact O-CG1 3.33Å; L1121-I1125 PolarHBondContact O-N 3.02Å; I1125-K1129 WeakPolarHBondContact O-CB 3.34Å; I1125-K1129 PolarHBondContact O-N 2.81Å
1126K73.3Confident62.4Low147 Ų147112 Ų11264%0.63958%0.579SS**Hα-helixtrans-61.9-47.2176.2-98.9179.1176.3171.30113.2D1122 E1123 C1124 K1129 N1130D1122-K1126 WeakPolarHBondContact O-CB 3.36Å; D1122-K1126 PolarHBondContact O-N 2.72Å; E1123-K1126 PolarHBondContact O-N 3.24Å; C1124-K1126 VanDerWaalsContact C-N 3.32Å; C1124-K1126 PolarHBondContact O-N 3.45Å; K1126-K1129 PolarHBondContact O-N 2.79Å; K1126-N1130 VanDerWaalsContact O-CB 3.29Å; K1126-N1130 WeakPolarHBondContact O-CB 3.23Å; K1126-N1130 PolarHBondContact O-N 2.88Å
1127V70Confident64.2Low83 Ų83111.3 Ų111.350%0.50357%0.573SS.*Hα-helixtrans-62.4-51.4178.7174.40000110E1123 C1124 K1129 N1130 D1131E1123-V1127 WeakPolarHBondContact O-CG2 3.3Å; E1123-V1127 PolarHBondContact O-N 3.37Å; C1124-V1127 PolarHBondContact O-N 3.06Å; V1127-K1129 VanDerWaalsContact C-N 3.31Å; V1127-K1129 PolarHBondContact O-N 3.08Å; V1127-N1130 PolarHBondContact O-N 3.45Å; V1127-D1131 PolarHBondContact O-N 3.35Å
1128I70.3Confident65.9Low99 Ų99108.1 Ų108.151%0.50856%0.56SS.*Hα-helixtrans-58.8-41.8178.5-66.9167000111.2C1124 D1131 F1132C1124-I1128 WeakPolarHBondContact O-CB 3.21Å; C1124-I1128 WeakPolarHBondContact O-CD1 3.43Å; C1124-I1128 VanDerWaalsContact O-CG1 3.25Å; C1124-I1128 WeakPolarHBondContact O-CG1 3.28Å; C1124-I1128 PolarHBondContact O-N 3.26Å; I1128-D1131 PolarHBondContact O-N 3.31Å; I1128-F1132 HydrophobicContact CG2-CD2 3.91Å; I1128-F1132 HydrophobicContact CG2-CE2 4.27Å; I1128-F1132 WeakPolarHBondContact O-CB 3.43Å; I1128-F1132 PolarHBondContact O-N 2.86Å
1129K74Confident67.4Low148 Ų148106.7 Ų106.764%0.64355%0.546SS*.Hα-helixtrans-70.9-33.8-179.7-166.1173.7-171.71790112.7I1125 K1126 V1127 S1133I1125-K1129 WeakPolarHBondContact O-CB 3.34Å; I1125-K1129 PolarHBondContact O-N 2.81Å; K1126-K1129 PolarHBondContact O-N 2.79Å; V1127-K1129 VanDerWaalsContact C-N 3.31Å; V1127-K1129 PolarHBondContact O-N 3.08Å; K1129-S1133 WeakPolarHBondContact O-CB 3.44Å; K1129-S1133 PolarHBondContact O-N 3.45Å; K1129-S1133 PolarHBondContact O-OG 2.83Å
1130N76.5Confident68.5Low97 Ų97100.9 Ų100.952%0.51952%0.521SS..Hα-helixtrans-71-41.8174.6-16974.5000111.3K1126 V1127 S1133 N1134K1126-N1130 VanDerWaalsContact O-CB 3.29Å; K1126-N1130 WeakPolarHBondContact O-CB 3.23Å; K1126-N1130 PolarHBondContact O-N 2.88Å; V1127-N1130 PolarHBondContact O-N 3.45Å; N1130-S1133 WeakPolarHBondContact O-CB 3.43Å; N1130-S1133 PolarHBondContact O-N 2.81Å; N1130-N1134 PolarHBondContact O-N 2.82Å
1131D71.1Confident69.9Low67 Ų67101.9 Ų101.936%0.35852%0.52SS..Hα-helixtrans-65.7-44174.7-69.4-15000111.1V1127 I1128 S1133 N1134 Y1135V1127-D1131 PolarHBondContact O-N 3.35Å; I1128-D1131 PolarHBondContact O-N 3.31Å; D1131-S1133 VanDerWaalsContact C-N 3.26Å; D1131-S1133 PolarHBondContact O-N 3.43Å; D1131-N1134 PolarHBondContact O-N 3.42Å; D1131-Y1135 HydrophobicContact CB-CD2 4.39Å; D1131-Y1135 HydrophobicContact CB-CE2 4.11Å; D1131-Y1135 WeakPolarHBondContact O-CD2 3.4Å; D1131-Y1135 PolarHBondContact O-N 3.37Å
1132F69.4Low71Confident150 Ų15099.6 Ų99.666%0.65851%0.508SS*.Hα-helixtrans-58.5-35.8171.5-104.9-84.9000112.9I1128 K1136I1128-F1132 HydrophobicContact CG2-CD2 3.91Å; I1128-F1132 HydrophobicContact CG2-CE2 4.27Å; I1128-F1132 WeakPolarHBondContact O-CB 3.43Å; I1128-F1132 PolarHBondContact O-N 2.86Å; F1132-K1136 VanDerWaalsContact O-CB 3.29Å; F1132-K1136 WeakPolarHBondContact O-CB 3.47Å; F1132-K1136 PolarHBondContact O-N 3.44Å
1133S76.8Confident71.7Confident63 Ų6397.4 Ų97.444%0.44149%0.492SS..Hα-helixtrans-68.4-43.1176.5-59.70000111.5K1129 N1130 D1131 K1136 V1137K1129-S1133 WeakPolarHBondContact O-CB 3.44Å; K1129-S1133 PolarHBondContact O-N 3.45Å; K1129-S1133 PolarHBondContact O-OG 2.83Å; N1130-S1133 WeakPolarHBondContact O-CB 3.43Å; N1130-S1133 PolarHBondContact O-N 2.81Å; D1131-S1133 VanDerWaalsContact C-N 3.26Å; D1131-S1133 PolarHBondContact O-N 3.43Å; S1133-K1136 PolarHBondContact O-N 3.28Å; S1133-V1137 WeakPolarHBondContact O-CG2 3.27Å; S1133-V1137 PolarHBondContact O-N 3.27Å
1134N72Confident72.3Confident92 Ų9293.1 Ų93.149%0.49248%0.48SS..Hα-helixtrans-63.1-43.5173.9-76.6-29000112.2N1130 D1131 V1137 T1138N1130-N1134 PolarHBondContact O-N 2.82Å; D1131-N1134 PolarHBondContact O-N 3.42Å; N1134-V1137 PolarHBondContact O-N 2.79Å; N1134-T1138 PolarHBondContact O-N 3.26Å; N1134-T1138 PolarHBondContact O-OG1 2.94Å
1135Y69.8Low73.1Confident92 Ų9291.1 Ų91.136%0.36146%0.464SS..Hα-helixtrans-65.7-37.7175.7-68.2-51.8000112D1131 T1138 I1139 Y1205D1131-Y1135 HydrophobicContact CB-CD2 4.39Å; D1131-Y1135 HydrophobicContact CB-CE2 4.11Å; D1131-Y1135 WeakPolarHBondContact O-CD2 3.4Å; D1131-Y1135 PolarHBondContact O-N 3.37Å; Y1135-T1138 PolarHBondContact O-N 3.48Å; Y1135-I1139 WeakPolarHBondContact O-CB 3.31Å; Y1135-I1139 VanDerWaalsContact O-CG1 3.24Å; Y1135-I1139 WeakPolarHBondContact O-CG1 3.43Å; Y1135-I1139 PolarHBondContact O-N 3.08Å; Y1135-Y1205 PolarHBondContact OH-OH 2.78Å
1136K77.6Confident73.5Confident133 Ų13394 Ų9458%0.57847%0.474SS*.Hα-helixtrans-61.3-48.7174.8-175.6171.2-179.1177.90111.9F1132 S1133 T1138 I1139 D1140F1132-K1136 VanDerWaalsContact O-CB 3.29Å; F1132-K1136 WeakPolarHBondContact O-CB 3.47Å; F1132-K1136 PolarHBondContact O-N 3.44Å; S1133-K1136 PolarHBondContact O-N 3.28Å; K1136-T1138 VanDerWaalsContact C-N 3.27Å; K1136-T1138 PolarHBondContact O-N 2.92Å; K1136-I1139 PolarHBondContact O-N 3.26Å; K1136-I1139 VanDerWaalsContact O-N 3.15Å; K1136-D1140 WeakPolarHBondContact CE-OD2 3.44Å; K1136-D1140 WeakPolarHBondContact CG-OD2 3.49Å; K1136-D1140 WeakPolarHBondContact O-CB 3.47Å; K1136-D1140 PolarHBondContact O-N 2.78Å
1137V78.6Confident73.6Confident104 Ų10491.7 Ų91.763%0.6347%0.467SS*.Hα-helixtrans-58.5-40.4175.4173.40000111.3S1133 N1134 D1140 Q1141S1133-V1137 WeakPolarHBondContact O-CG2 3.27Å; S1133-V1137 PolarHBondContact O-N 3.27Å; N1134-V1137 PolarHBondContact O-N 2.79Å; V1137-D1140 PolarHBondContact O-N 2.92Å; V1137-Q1141 WeakPolarHBondContact O-CB 3.34Å; V1137-Q1141 PolarHBondContact O-N 3.42Å
1138T73.3Confident73.8Confident76 Ų7692.2 Ų92.247%0.46647%0.467SS..Hα-helixtrans-66.6-40.3177.3-49.40000111.9N1134 Y1135 K1136 L1142N1134-T1138 PolarHBondContact O-N 3.26Å; N1134-T1138 PolarHBondContact O-OG1 2.94Å; Y1135-T1138 PolarHBondContact O-N 3.48Å; K1136-T1138 VanDerWaalsContact C-N 3.27Å; K1136-T1138 PolarHBondContact O-N 2.92Å; T1138-L1142 HydrophobicContact CG2-CD1 4.27Å; T1138-L1142 WeakPolarHBondContact O-CB 3.39Å; T1138-L1142 WeakPolarHBondContact O-CD1 3.49Å; T1138-L1142 VanDerWaalsContact O-CG 3.25Å; T1138-L1142 WeakPolarHBondContact O-CG 3.46Å; T1138-L1142 PolarHBondContact O-N 3.38Å
1139I71.6Confident73.6Confident83 Ų8388.5 Ų88.543%0.42645%0.451SS..Hα-helixtrans-67.6-42176.4-73164.8000111.2Y1135 K1136 L1142 K1143Y1135-I1139 WeakPolarHBondContact O-CB 3.31Å; Y1135-I1139 VanDerWaalsContact O-CG1 3.24Å; Y1135-I1139 WeakPolarHBondContact O-CG1 3.43Å; Y1135-I1139 PolarHBondContact O-N 3.08Å; K1136-I1139 PolarHBondContact O-N 3.26Å; K1136-I1139 VanDerWaalsContact O-N 3.15Å; I1139-L1142 CarbonylContact O-C 3.59Å; I1139-L1142 PolarHBondContact O-N 3.19Å; I1139-K1143 HydrophobicContact CG2-CD 4.28Å; I1139-K1143 WeakPolarHBondContact O-CG 3.4Å; I1139-K1143 PolarHBondContact O-N 2.75Å
1140D73.6Confident73.4Confident71 Ų7184.8 Ų84.838%0.3844%0.438SS..Hα-helixtrans-69.7-36.8-180-69.5-27.8000111.1K1136 V1137 K1143 A1144K1136-D1140 WeakPolarHBondContact CE-OD2 3.44Å; K1136-D1140 WeakPolarHBondContact CG-OD2 3.49Å; K1136-D1140 WeakPolarHBondContact O-CB 3.47Å; K1136-D1140 PolarHBondContact O-N 2.78Å; V1137-D1140 PolarHBondContact O-N 2.92Å; D1140-K1143 PolarHBondContact O-N 3.36Å; D1140-A1144 PolarHBondContact O-N 2.91Å
1141Q76.8Confident73.1Confident105 Ų10583.6 Ų83.649%0.49143%0.432SS..Hα-helixtrans-62.7-45.1168.6-177.358.949.200111.7V1137 K1143 A1144 D1145V1137-Q1141 WeakPolarHBondContact O-CB 3.34Å; V1137-Q1141 PolarHBondContact O-N 3.42Å; Q1141-K1143 VanDerWaalsContact C-N 3.31Å; Q1141-K1143 PolarHBondContact O-N 3.47Å; Q1141-A1144 WeakPolarHBondContact O-CB 3.37Å; Q1141-A1144 PolarHBondContact O-N 2.83Å; Q1141-A1144 VanDerWaalsContact O-N 3.17Å; Q1141-D1145 VanDerWaalsContact NE2-CG 3.25Å; Q1141-D1145 PolarHBondContact NE2-OD1 2.83Å; Q1141-D1145 VanDerWaalsContact NE2-OD1 3.13Å; Q1141-D1145 PolarHBondContact NE2-OD2 3.09Å; Q1141-D1145 PolarHBondContact O-N 3.46Å
1142L69.7Low72.8Confident71 Ų7182.3 Ų82.337%0.37242%0.424SS..Hα-helixtrans-62.2-35.2174.5-77.3166.1000112.7T1138 I1139 K1146 I1194T1138-L1142 HydrophobicContact CG2-CD1 4.27Å; T1138-L1142 WeakPolarHBondContact O-CB 3.39Å; T1138-L1142 WeakPolarHBondContact O-CD1 3.49Å; T1138-L1142 VanDerWaalsContact O-CG 3.25Å; T1138-L1142 WeakPolarHBondContact O-CG 3.46Å; T1138-L1142 PolarHBondContact O-N 3.38Å; I1139-L1142 CarbonylContact O-C 3.59Å; I1139-L1142 PolarHBondContact O-N 3.19Å; L1142-K1146 WeakPolarHBondContact O-CB 3.24Å; L1142-K1146 PolarHBondContact O-N 3.4Å; L1142-I1194 HydrophobicContact CD2-CD1 3.69Å; L1142-I1194 HydrophobicContact CD2-CG1 4.29Å; L1142-I1194 HydrophobicContact CD2-CG2 4.17Å
1143K74.4Confident72.7Confident71 Ų7180.3 Ų80.331%0.30942%0.419SS..Hα-helixtrans-65.8-43.3172.5-75.3175.6-173.91770110.9E987 I1139 D1140 Q1141 K1146 I1147E987-K1143 IonicContact OE1-NZ 2.74Å; E987-K1143 PolarHBondContact OE1-NZ 2.79Å; E987-K1143 IonicContact OE2-NZ 3.1Å; E987-K1143 PolarHBondContact OE2-NZ 3.49Å; I1139-K1143 HydrophobicContact CG2-CD 4.28Å; I1139-K1143 WeakPolarHBondContact O-CG 3.4Å; I1139-K1143 PolarHBondContact O-N 2.75Å; D1140-K1143 PolarHBondContact O-N 3.36Å; Q1141-K1143 VanDerWaalsContact C-N 3.31Å; Q1141-K1143 PolarHBondContact O-N 3.47Å; K1143-K1146 PolarHBondContact O-N 2.87Å; K1143-I1147 VanDerWaalsContact O-CG1 3.28Å; K1143-I1147 WeakPolarHBondContact O-CG1 3.22Å; K1143-I1147 PolarHBondContact O-N 2.73Å
1144A76.7Confident72.2Confident44 Ų4483.8 Ų83.836%0.36443%0.426SS..Hα-helixtrans-63.6-4517600000112.2D1140 Q1141 I1147 N1148D1140-A1144 PolarHBondContact O-N 2.91Å; Q1141-A1144 WeakPolarHBondContact O-CB 3.37Å; Q1141-A1144 PolarHBondContact O-N 2.83Å; Q1141-A1144 VanDerWaalsContact O-N 3.17Å; A1144-I1147 PolarHBondContact O-N 2.78Å; A1144-N1148 PolarHBondContact O-N 3.14Å
1145D72Confident71.9Confident36 Ų3684.5 Ų84.519%0.19343%0.426CS..Hα-helixtrans-67.2-37.6177.5-69.6-31.6000111.8Q1141 N1148 A1149Q1141-D1145 VanDerWaalsContact NE2-CG 3.25Å; Q1141-D1145 PolarHBondContact NE2-OD1 2.83Å; Q1141-D1145 VanDerWaalsContact NE2-OD1 3.13Å; Q1141-D1145 PolarHBondContact NE2-OD2 3.09Å; Q1141-D1145 PolarHBondContact O-N 3.46Å; D1145-N1148 PolarHBondContact O-N 2.86Å; D1145-A1149 WeakPolarHBondContact O-CB 3.31Å; D1145-A1149 PolarHBondContact O-N 3.42Å
1146K75.5Confident71.4Confident142 Ų14281.9 Ų81.962%0.61742%0.418SS*.Hα-helixtrans-61.2-42.4170178179.8177.2-179.50112.2L1142 K1143 A1149 I1150L1142-K1146 WeakPolarHBondContact O-CB 3.24Å; L1142-K1146 PolarHBondContact O-N 3.4Å; K1143-K1146 PolarHBondContact O-N 2.87Å; K1146-A1149 PolarHBondContact O-N 2.84Å; K1146-I1150 HydrophobicContact CG-CD1 3.9Å; K1146-I1150 WeakPolarHBondContact O-CB 3.2Å; K1146-I1150 VanDerWaalsContact O-CG1 3.26Å; K1146-I1150 WeakPolarHBondContact O-CG1 3.31Å; K1146-I1150 PolarHBondContact O-N 3.21Å
1147I76.1Confident70.5Confident98 Ų9877.8 Ų77.850%0.50341%0.41SS..Hα-helixtrans-66-41.6176.7-71.5165.4000110.6K1143 A1144 I1150 N1151K1143-I1147 VanDerWaalsContact O-CG1 3.28Å; K1143-I1147 WeakPolarHBondContact O-CG1 3.22Å; K1143-I1147 PolarHBondContact O-N 2.73Å; A1144-I1147 PolarHBondContact O-N 2.78Å; I1147-I1150 PolarHBondContact O-N 2.74Å; I1147-N1151 WeakPolarHBondContact O-CB 3.33Å; I1147-N1151 VanDerWaalsContact O-CG 3.23Å; I1147-N1151 PolarHBondContact O-N 3.12Å; I1147-N1151 PolarHBondContact O-ND2 3.17Å
1148N73.7Confident69.5Low94 Ų9474 Ų7450%0.50339%0.387SS..Hα-helixtrans-61.2-44.6172.9-92.7-28.6000112.2A1144 D1145 N1151 M1152A1144-N1148 PolarHBondContact O-N 3.14Å; D1145-N1148 PolarHBondContact O-N 2.86Å; N1148-N1151 PolarHBondContact O-N 3.3Å; N1148-M1152 WeakPolarHBondContact O-CG 3.33Å; N1148-M1152 PolarHBondContact O-N 2.92Å
1149A65.5Low68.8Low21 Ų2177.4 Ų77.417%0.17440%0.398CS..Hα-helixtrans-61.5-44175.200000111.9D1145 K1146 N1151 M1152 I1153 L1187D1145-A1149 WeakPolarHBondContact O-CB 3.31Å; D1145-A1149 PolarHBondContact O-N 3.42Å; K1146-A1149 PolarHBondContact O-N 2.84Å; A1149-N1151 VanDerWaalsContact C-N 3.34Å; A1149-N1151 PolarHBondContact O-N 3.41Å; A1149-M1152 PolarHBondContact O-N 2.91Å; A1149-I1153 VanDerWaalsContact O-CG1 3.28Å; A1149-I1153 WeakPolarHBondContact O-CG1 3.31Å; A1149-I1153 PolarHBondContact O-N 3.44Å; A1149-L1187 HydrophobicContact CB-CD1 4.36Å; A1149-L1187 HydrophobicContact CB-CD2 4.26Å
1150I69.8Low68Low70 Ų7078.3 Ų78.336%0.35940%0.403SS..Hα-helixtrans-63.2-39.1175.3-71.4167.4000111.4K1146 I1147 I1153 K1154K1146-I1150 HydrophobicContact CG-CD1 3.9Å; K1146-I1150 WeakPolarHBondContact O-CB 3.2Å; K1146-I1150 VanDerWaalsContact O-CG1 3.26Å; K1146-I1150 WeakPolarHBondContact O-CG1 3.31Å; K1146-I1150 PolarHBondContact O-N 3.21Å; I1147-I1150 PolarHBondContact O-N 2.74Å; I1150-I1153 PolarHBondContact O-N 3.29Å; I1150-K1154 HydrophobicContact CG2-CD 4.29Å; I1150-K1154 WeakPolarHBondContact O-CG 3.25Å; I1150-K1154 PolarHBondContact O-N 3.41Å
1151N71.4Confident66.9Low73 Ų7383.2 Ų83.239%0.3942%0.424SS..Hα-helixtrans-68.8-40.9177.3-72.1-18.4000111.6I1147 N1148 A1149 I1153 K1154 E1155I1147-N1151 WeakPolarHBondContact O-CB 3.33Å; I1147-N1151 VanDerWaalsContact O-CG 3.23Å; I1147-N1151 PolarHBondContact O-N 3.12Å; I1147-N1151 PolarHBondContact O-ND2 3.17Å; N1148-N1151 PolarHBondContact O-N 3.3Å; A1149-N1151 VanDerWaalsContact C-N 3.34Å; A1149-N1151 PolarHBondContact O-N 3.41Å; N1151-I1153 VanDerWaalsContact C-N 3.34Å; N1151-I1153 PolarHBondContact O-N 2.87Å; N1151-K1154 PolarHBondContact O-N 2.87Å; N1151-E1155 PolarHBondContact O-N 3.4Å
1152M64.9Low65.8Low40 Ų4084.7 Ų84.720%0.19744%0.435CS..Hα-helixtrans-60.9-41.7171.4-73.4-171.7-7300111.7N1148 A1149 K1154 E1155 L1156 N1183 L1187N1148-M1152 WeakPolarHBondContact O-CG 3.33Å; N1148-M1152 PolarHBondContact O-N 2.92Å; A1149-M1152 PolarHBondContact O-N 2.91Å; M1152-K1154 VanDerWaalsContact C-N 3.34Å; M1152-K1154 PolarHBondContact O-N 3.27Å; M1152-E1155 PolarHBondContact O-N 3.41Å; M1152-L1156 WeakPolarHBondContact O-CG 3.27Å; M1152-L1156 PolarHBondContact O-N 2.95Å; M1152-N1183 HydrophobicContact SD-CB 3.82Å; M1152-L1187 HydrophobicContact CE-CD1 4.34Å; M1152-L1187 HydrophobicContact CE-CD2 4.3Å
1153I66.9Low65.3Low108 Ų10883.1 Ų83.155%0.55443%0.427SS*.Hα-helixtrans-65.1-36.7174.8-67.6164.1000111.6A1149 I1150 N1151 E1155 L1156A1149-I1153 VanDerWaalsContact O-CG1 3.28Å; A1149-I1153 WeakPolarHBondContact O-CG1 3.31Å; A1149-I1153 PolarHBondContact O-N 3.44Å; I1150-I1153 PolarHBondContact O-N 3.29Å; N1151-I1153 VanDerWaalsContact C-N 3.34Å; N1151-I1153 PolarHBondContact O-N 2.87Å; I1153-E1155 VanDerWaalsContact C-N 3.33Å; I1153-E1155 PolarHBondContact O-N 2.97Å; I1153-L1156 WeakPolarHBondContact O-CB 3.48Å; I1153-L1156 PolarHBondContact O-N 2.84Å
1154K66Low64.4Low136 Ų13685 Ų8559%0.59145%0.448SS*.Hα-helixtrans-66.8-31.5174.5-77.6175.1178.4177.50113I1150 N1151 M1152 L1156 A1157I1150-K1154 HydrophobicContact CG2-CD 4.29Å; I1150-K1154 WeakPolarHBondContact O-CG 3.25Å; I1150-K1154 PolarHBondContact O-N 3.41Å; N1151-K1154 PolarHBondContact O-N 2.87Å; M1152-K1154 VanDerWaalsContact C-N 3.34Å; M1152-K1154 PolarHBondContact O-N 3.27Å; K1154-L1156 VanDerWaalsContact C-N 3.26Å; K1154-L1156 PolarHBondContact O-N 2.82Å; K1154-A1157 WeakPolarHBondContact O-CB 3.35Å; K1154-A1157 PolarHBondContact O-N 3.18Å
1155E65.1Low63.7Low106 Ų10686.3 Ų86.350%0.49545%0.452SS..Hα-helixtrans-71.7-18.6173.7-72-176.6149.200113.2N1151 M1152 I1153 A1157 K1180N1151-E1155 PolarHBondContact O-N 3.4Å; M1152-E1155 PolarHBondContact O-N 3.41Å; I1153-E1155 VanDerWaalsContact C-N 3.33Å; I1153-E1155 PolarHBondContact O-N 2.97Å; E1155-A1157 PolarHBondContact O-N 2.78Å; E1155-K1180 IonicContact OE1-NZ 3.43Å; E1155-K1180 WeakPolarHBondContact OE2-CE 3.42Å; E1155-K1180 IonicContact OE2-NZ 3.18Å; E1155-K1180 PolarHBondContact OE2-NZ 2.75Å
1156L60.1Low63.1Low37 Ų3790.9 Ų90.919%0.19448%0.475CS..THydrogen-bonded Turntrans-78.4-2.5170.7-57.5166.3000113.2M1152 I1153 K1154 W1172 I1176 F1184M1152-L1156 WeakPolarHBondContact O-CG 3.27Å; M1152-L1156 PolarHBondContact O-N 2.95Å; I1153-L1156 WeakPolarHBondContact O-CB 3.48Å; I1153-L1156 PolarHBondContact O-N 2.84Å; K1154-L1156 VanDerWaalsContact C-N 3.26Å; K1154-L1156 PolarHBondContact O-N 2.82Å; L1156-W1172 VanDerWaalsContact O-CH2 3.32Å; L1156-W1172 WeakPolarHBondContact O-CH2 3.49Å; L1156-I1176 HydrophobicContact CD2-CG2 3.9Å; L1156-F1184 HydrophobicContact CD1-CZ 3.91Å; L1156-F1184 HydrophobicContact CD2-CZ 4.37Å
1157A59.6Low62.8Low48 Ų4888.4 Ų88.440%0.39748%0.476SS..SBendtrans-86.3126.3174.800000110.4K1154 E1155 Q1159K1154-A1157 WeakPolarHBondContact O-CB 3.35Å; K1154-A1157 PolarHBondContact O-N 3.18Å; E1155-A1157 PolarHBondContact O-N 2.78Å; A1157-Q1159 PolarHBondContact O-N 3.4Å; A1157-Q1159 VanDerWaalsContact O-N 3.13Å
1158P56.1Low62.5Low24 Ų2487.3 Ų87.316%0.15647%0.471CS..  trans-66.1119.8-177.315.1-20.3000111.6R517 L1163 Y1169 W1172R517-P1158 PolarHBondContact NH2-O 3.39Å; P1158-L1163 HydrophobicContact CB-CD1 3.59Å; P1158-L1163 HydrophobicContact CG-CD1 4.31Å; P1158-Y1169 HydrophobicContact CG-CE1 4.23Å; P1158-Y1169 HydrophobicContact CG-CE2 3.88Å; P1158-Y1169 WeakPolarHBondContact CG-OH 3.43Å; P1158-W1172 VanDerWaalsContact CA-CZ2 3.47Å; P1158-W1172 HydrophobicContact CB-CD2 4.34Å; P1158-W1172 HydrophobicContact CB-CE3 4.07Å; P1158-W1172 HydrophobicContact CB-CH2 3.62Å; P1158-W1172 HydrophobicContact CB-CZ2 3.84Å; P1158-W1172 HydrophobicContact CB-CZ3 3.72Å; P1158-W1172 HydrophobicContact CG-CE3 4.41Å; P1158-W1172 HydrophobicContact CG-CH2 4.04Å; P1158-W1172 HydrophobicContact CG-CZ3 3.84Å; P1158-W1172 VanDerWaalsContact N-CH2 3.29Å
1159Q58.7Low62Low147 Ų14788 Ų8869%0.68747%0.468SS*.  trans-80.8-27.1173.3-68.5-74.8-8.200111.9A1157A1157-Q1159 PolarHBondContact O-N 3.4Å; A1157-Q1159 VanDerWaalsContact O-N 3.13Å
1160N54.3Low62.2Low102 Ų10289.8 Ų89.855%0.54547%0.473SS..  trans-83.6125.9-175.7-68.2-6.9000111.9D1162N1160-D1162 PolarHBondContact O-N 3.39Å
1161E52.3Low62.4Low175 Ų17588.5 Ų88.582%0.81848%0.477SS*.THydrogen-bonded Turntrans-73.3-15175.7-62.2-175.9144.900113L1163E1161-L1163 VanDerWaalsContact C-N 3.34Å; E1161-L1163 PolarHBondContact O-N 3.49Å
1162D53.5Low62.6Low136 Ų13687.2 Ų87.273%0.72747%0.467SS*.THydrogen-bonded Turntrans-83.88.3-172.3-62.8-38.2000115.4N1160 C1164N1160-D1162 PolarHBondContact O-N 3.39Å; D1162-C1164 PolarHBondContact O-N 3.27Å
1163L58.4Low62.7Low37 Ų3789.6 Ų89.619%0.19448%0.477CS..  trans-77.272.3177.6-64.4174.7000111P1158 E1161 D1168 Y1169 W1172P1158-L1163 HydrophobicContact CB-CD1 3.59Å; P1158-L1163 HydrophobicContact CG-CD1 4.31Å; E1161-L1163 VanDerWaalsContact C-N 3.34Å; E1161-L1163 PolarHBondContact O-N 3.49Å; L1163-D1168 HydrophobicContact CD2-CB 4.09Å; L1163-Y1169 HydrophobicContact CB-CD2 3.83Å; L1163-Y1169 HydrophobicContact CD1-CD2 3.81Å; L1163-Y1169 HydrophobicContact CD1-CE2 4.11Å; L1163-Y1169 HydrophobicContact CD1-CG 4.33Å; L1163-Y1169 HydrophobicContact CG-CD2 4.45Å; L1163-W1172 HydrophobicContact CD1-CB 4.24Å; L1163-W1172 HydrophobicContact CD1-CD2 3.97Å; L1163-W1172 HydrophobicContact CD1-CE3 4.15Å; L1163-W1172 HydrophobicContact CD1-CG 4Å; L1163-W1172 HydrophobicContact CD2-CB 3.74Å; L1163-W1172 HydrophobicContact CD2-CG 4.08Å
1164C55.2Low63Low111 Ų11187.5 Ų87.575%0.7547%0.466SS*.  trans-76.4-23.1-169.5-65.30000115.4D1162D1162-C1164 PolarHBondContact O-N 3.27Å
1165T63.3Low63.4Low72 Ų7282.9 Ų82.944%0.44246%0.457SS..SBendtrans-121155.8176.175.40000112.3S1167 D1168 Y1169T1165-S1167 PolarHBondContact O-N 3.31Å; T1165-S1167 PolarHBondContact OG1-N 2.8Å; T1165-D1168 WeakPolarHBondContact CB-OD2 3.37Å; T1165-D1168 PolarHBondContact N-OD2 2.97Å; T1165-D1168 WeakPolarHBondContact O-CB 3.39Å; T1165-D1168 PolarHBondContact O-N 2.9Å; T1165-D1168 PolarHBondContact OG1-N 3.09Å; T1165-D1168 VanDerWaalsContact OG1-N 3.14Å; T1165-D1168 PolarHBondContact OG1-OD2 3.19Å; T1165-Y1169 PolarHBondContact O-N 2.75Å
1166L57.9Low63.7Low131 Ų13179.3 Ų79.369%0.68644%0.441SS*.Hα-helixtrans-56.9-32.2172.2-173.667.4000111.5Y1169 I1170L1166-Y1169 PolarHBondContact O-N 3.29Å; L1166-I1170 HydrophobicContact CD1-CD1 4.45Å; L1166-I1170 HydrophobicContact CD2-CD1 4.42Å; L1166-I1170 HydrophobicContact CG-CD1 3.9Å; L1166-I1170 HydrophobicContact CG-CG1 4.45Å; L1166-I1170 WeakPolarHBondContact O-CB 3.43Å; L1166-I1170 VanDerWaalsContact O-CG1 3.23Å; L1166-I1170 WeakPolarHBondContact O-CG1 3.34Å; L1166-I1170 PolarHBondContact O-N 3.36Å
1167S70Confident64Low91 Ų9181.3 Ų81.364%0.63645%0.448SS*.Hα-helixtrans-65.9-39.6174.5-169.90000112.5T1165 G1171T1165-S1167 PolarHBondContact O-N 3.31Å; T1165-S1167 PolarHBondContact OG1-N 2.8Å; S1167-G1171 PolarHBondContact O-N 2.67Å
1168D68.9Low64.7Low75 Ų7583.7 Ų83.740%0.40145%0.454SS..Hα-helixtrans-67.4-41.3175.4-55.5-51.7000110.6L1163 T1165 G1171 W1172L1163-D1168 HydrophobicContact CD2-CB 4.09Å; T1165-D1168 WeakPolarHBondContact CB-OD2 3.37Å; T1165-D1168 PolarHBondContact N-OD2 2.97Å; T1165-D1168 WeakPolarHBondContact O-CB 3.39Å; T1165-D1168 PolarHBondContact O-N 2.9Å; T1165-D1168 PolarHBondContact OG1-N 3.09Å; T1165-D1168 VanDerWaalsContact OG1-N 3.14Å; T1165-D1168 PolarHBondContact OG1-OD2 3.19Å; D1168-G1171 PolarHBondContact O-N 3.28Å; D1168-W1172 VanDerWaalsContact O-CB 3.27Å; D1168-W1172 WeakPolarHBondContact O-CB 3.48Å; D1168-W1172 PolarHBondContact O-N 3.28Å
1169Y64.1Low65.4Low109 Ų10988.6 Ų88.643%0.42748%0.475SS..Hα-helixtrans-64.6-43.6178.4-146.7-79.2000111.9P1158 L1163 T1165 L1166 F1173P1158-Y1169 HydrophobicContact CG-CE1 4.23Å; P1158-Y1169 HydrophobicContact CG-CE2 3.88Å; P1158-Y1169 WeakPolarHBondContact CG-OH 3.43Å; L1163-Y1169 HydrophobicContact CB-CD2 3.83Å; L1163-Y1169 HydrophobicContact CD1-CD2 3.81Å; L1163-Y1169 HydrophobicContact CD1-CE2 4.11Å; L1163-Y1169 HydrophobicContact CD1-CG 4.33Å; L1163-Y1169 HydrophobicContact CG-CD2 4.45Å; T1165-Y1169 PolarHBondContact O-N 2.75Å; L1166-Y1169 PolarHBondContact O-N 3.29Å; Y1169-F1173 WeakPolarHBondContact O-CB 3.46Å; Y1169-F1173 PolarHBondContact O-N 3.17Å
1170I69.3Low66Low57 Ų5783.7 Ų83.729%0.29245%0.451SS..Hα-helixtrans-64.2-45.8173.4-71167.6000110.4L1069 L1166 W1172 F1173 I1174L1069-I1170 HydrophobicContact CD2-CD1 4.32Å; L1166-I1170 HydrophobicContact CD1-CD1 4.45Å; L1166-I1170 HydrophobicContact CD2-CD1 4.42Å; L1166-I1170 HydrophobicContact CG-CD1 3.9Å; L1166-I1170 HydrophobicContact CG-CG1 4.45Å; L1166-I1170 WeakPolarHBondContact O-CB 3.43Å; L1166-I1170 VanDerWaalsContact O-CG1 3.23Å; L1166-I1170 WeakPolarHBondContact O-CG1 3.34Å; L1166-I1170 PolarHBondContact O-N 3.36Å; I1170-W1172 PolarHBondContact O-N 3.01Å; I1170-F1173 PolarHBondContact O-N 2.9Å; I1170-I1174 HydrophobicContact CG2-CD1 3.64Å; I1170-I1174 HydrophobicContact CG2-CG1 4.35Å; I1170-I1174 WeakPolarHBondContact O-CB 3.22Å; I1170-I1174 VanDerWaalsContact O-CG1 3.27Å; I1170-I1174 WeakPolarHBondContact O-CG1 3.3Å; I1170-I1174 PolarHBondContact O-N 2.97Å
1171G73.6Confident66.9Low43 Ų4382.4 Ų82.444%0.44344%0.442SS..Hα-helixtrans-62-40.5178.400000113.1S1167 D1168 G1175S1167-G1171 PolarHBondContact O-N 2.67Å; D1168-G1171 PolarHBondContact O-N 3.28Å; G1171-G1175 PolarHBondContact O-N 3.38Å
1172W76Confident67.7Low47 Ų4777.9 Ų77.918%0.17843%0.429CS..Hα-helixtrans-65.6-45174176.282.3000112L1156 P1158 L1163 D1168 I1170 G1175 I1176L1156-W1172 VanDerWaalsContact O-CH2 3.32Å; L1156-W1172 WeakPolarHBondContact O-CH2 3.49Å; P1158-W1172 VanDerWaalsContact CA-CZ2 3.47Å; P1158-W1172 HydrophobicContact CB-CD2 4.34Å; P1158-W1172 HydrophobicContact CB-CE3 4.07Å; P1158-W1172 HydrophobicContact CB-CH2 3.62Å; P1158-W1172 HydrophobicContact CB-CZ2 3.84Å; P1158-W1172 HydrophobicContact CB-CZ3 3.72Å; P1158-W1172 HydrophobicContact CG-CE3 4.41Å; P1158-W1172 HydrophobicContact CG-CH2 4.04Å; P1158-W1172 HydrophobicContact CG-CZ3 3.84Å; P1158-W1172 VanDerWaalsContact N-CH2 3.29Å; L1163-W1172 HydrophobicContact CD1-CB 4.24Å; L1163-W1172 HydrophobicContact CD1-CD2 3.97Å; L1163-W1172 HydrophobicContact CD1-CE3 4.15Å; L1163-W1172 HydrophobicContact CD1-CG 4Å; L1163-W1172 HydrophobicContact CD2-CB 3.74Å; L1163-W1172 HydrophobicContact CD2-CG 4.08Å; D1168-W1172 VanDerWaalsContact O-CB 3.27Å; D1168-W1172 WeakPolarHBondContact O-CB 3.48Å; D1168-W1172 PolarHBondContact O-N 3.28Å; I1170-W1172 PolarHBondContact O-N 3.01Å; W1172-G1175 PolarHBondContact O-N 3.3Å; W1172-G1175 VanDerWaalsContact O-N 3.16Å; W1172-I1176 HydrophobicContact CD2-CD1 4.5Å; W1172-I1176 HydrophobicContact CH2-CD1 4.02Å; W1172-I1176 HydrophobicContact CZ2-CD1 3.26Å; W1172-I1176 HydrophobicContact CZ2-CG1 4.21Å; W1172-I1176 PolarHBondContact O-N 3.49Å
1173F68.1Low68.5Low90 Ų9074.7 Ų74.740%0.39541%0.412SS..Hα-helixtrans-63.2-45.6178.4-164.9-90.3000111.6Y1169 I1170 G1175 I1176 F1177Y1169-F1173 WeakPolarHBondContact O-CB 3.46Å; Y1169-F1173 PolarHBondContact O-N 3.17Å; I1170-F1173 PolarHBondContact O-N 2.9Å; F1173-G1175 VanDerWaalsContact C-N 3.27Å; F1173-G1175 PolarHBondContact O-N 3Å; F1173-I1176 PolarHBondContact O-N 3.22Å; F1173-F1177 AromaticContact CE1-CD2 3.95Å; F1173-F1177 HydrophobicContact CE1-CD2 3.95Å; F1173-F1177 HydrophobicContact CZ-CD2 4.4Å; F1173-F1177 WeakPolarHBondContact O-CB 3.49Å; F1173-F1177 PolarHBondContact O-N 3.16Å
1174I73.4Confident68.9Low63 Ų6375.8 Ų75.832%0.32342%0.415SS..Hα-helixtrans-59.5-38.8173.6-67.7167.6000110.9L1072 I1170 N1178L1072-I1174 HydrophobicContact CD1-CD1 3.86Å; L1072-I1174 HydrophobicContact CD1-CG1 3.98Å; I1170-I1174 HydrophobicContact CG2-CD1 3.64Å; I1170-I1174 HydrophobicContact CG2-CG1 4.35Å; I1170-I1174 WeakPolarHBondContact O-CB 3.22Å; I1170-I1174 VanDerWaalsContact O-CG1 3.27Å; I1170-I1174 WeakPolarHBondContact O-CG1 3.3Å; I1170-I1174 PolarHBondContact O-N 2.97Å; I1174-N1178 WeakPolarHBondContact CG2-ND2 3.47Å; I1174-N1178 WeakPolarHBondContact O-CB 3.27Å; I1174-N1178 VanDerWaalsContact O-CG 3.3Å; I1174-N1178 PolarHBondContact O-N 3.3Å; I1174-N1178 VanDerWaalsContact O-N 3.12Å; I1174-N1178 PolarHBondContact O-ND2 2.95Å
1175G73.3Confident69.8Low39 Ų3975.1 Ų75.140%0.40240%0.401SS..Hα-helixtrans-58.9-55.217600000112.8G1171 W1172 F1173 E1179G1171-G1175 PolarHBondContact O-N 3.38Å; W1172-G1175 PolarHBondContact O-N 3.3Å; W1172-G1175 VanDerWaalsContact O-N 3.16Å; F1173-G1175 VanDerWaalsContact C-N 3.27Å; F1173-G1175 PolarHBondContact O-N 3Å; G1175-E1179 PolarHBondContact O-N 3.11Å; G1175-E1179 VanDerWaalsContact O-N 3.16Å
1176I71.4Confident70.2Confident32 Ų3276.5 Ų76.516%0.16441%0.406CS..Hα-helixtrans-70-36.9-179.6-62.3-158.7000111.9L1156 W1172 F1173 N1178 E1179 K1180L1156-I1176 HydrophobicContact CD2-CG2 3.9Å; W1172-I1176 HydrophobicContact CD2-CD1 4.5Å; W1172-I1176 HydrophobicContact CH2-CD1 4.02Å; W1172-I1176 HydrophobicContact CZ2-CD1 3.26Å; W1172-I1176 HydrophobicContact CZ2-CG1 4.21Å; W1172-I1176 PolarHBondContact O-N 3.49Å; F1173-I1176 PolarHBondContact O-N 3.22Å; I1176-N1178 VanDerWaalsContact C-N 3.34Å; I1176-N1178 PolarHBondContact O-N 3.39Å; I1176-E1179 PolarHBondContact O-N 3.03Å; I1176-E1179 VanDerWaalsContact O-N 3.13Å; I1176-K1180 HydrophobicContact CG2-CG 3.96Å; I1176-K1180 WeakPolarHBondContact O-CB 3.47Å; I1176-K1180 WeakPolarHBondContact O-CG 3.35Å; I1176-K1180 PolarHBondContact O-N 3.33Å
1177F66.4Low70.7Confident78 Ų7873 Ų7334%0.34239%0.388SS..Hα-helixtrans-61.1-44.5179-160.6-87.9000111.3F1173 E1179 K1180 Q1181 F1184F1173-F1177 AromaticContact CE1-CD2 3.95Å; F1173-F1177 HydrophobicContact CE1-CD2 3.95Å; F1173-F1177 HydrophobicContact CZ-CD2 4.4Å; F1173-F1177 WeakPolarHBondContact O-CB 3.49Å; F1173-F1177 PolarHBondContact O-N 3.16Å; F1177-E1179 PolarHBondContact O-N 3.3Å; F1177-K1180 PolarHBondContact O-N 3.43Å; F1177-Q1181 PolarHBondContact O-N 2.9Å; F1177-F1184 HydrophobicContact CD2-CE2 4.36Å; F1177-F1184 HydrophobicContact CE2-CE2 4.22Å
1178N74.7Confident70.9Confident99 Ų9974.3 Ų74.353%0.52938%0.384SS..Hα-helixtrans-64.8-36173.7-73-44000112.8I1174 I1176 K1180I1174-N1178 WeakPolarHBondContact CG2-ND2 3.47Å; I1174-N1178 WeakPolarHBondContact O-CB 3.27Å; I1174-N1178 VanDerWaalsContact O-CG 3.3Å; I1174-N1178 PolarHBondContact O-N 3.3Å; I1174-N1178 VanDerWaalsContact O-N 3.12Å; I1174-N1178 PolarHBondContact O-ND2 2.95Å; I1176-N1178 VanDerWaalsContact C-N 3.34Å; I1176-N1178 PolarHBondContact O-N 3.39Å; N1178-K1180 VanDerWaalsContact C-N 3.33Å
1179E71.4Confident71.1Confident127 Ų12777.1 Ų77.159%0.59339%0.394SS*.Hα-helixtrans-70.5-28176.6-171.5170.6-152.500112.8G1175 I1176 F1177G1175-E1179 PolarHBondContact O-N 3.11Å; G1175-E1179 VanDerWaalsContact O-N 3.16Å; I1176-E1179 PolarHBondContact O-N 3.03Å; I1176-E1179 VanDerWaalsContact O-N 3.13Å; F1177-E1179 PolarHBondContact O-N 3.3Å
1180K69.8Low71.4Confident43 Ų4375.3 Ų75.319%0.18739%0.392CS..Hα-helixtrans-99.8-5.4-179.4-62.9-69177.6172.30114.4E1155 I1176 F1177 N1178 C1182 N1183 F1184E1155-K1180 IonicContact OE1-NZ 3.43Å; E1155-K1180 WeakPolarHBondContact OE2-CE 3.42Å; E1155-K1180 IonicContact OE2-NZ 3.18Å; E1155-K1180 PolarHBondContact OE2-NZ 2.75Å; I1176-K1180 HydrophobicContact CG2-CG 3.96Å; I1176-K1180 WeakPolarHBondContact O-CB 3.47Å; I1176-K1180 WeakPolarHBondContact O-CG 3.35Å; I1176-K1180 PolarHBondContact O-N 3.33Å; F1177-K1180 PolarHBondContact O-N 3.43Å; N1178-K1180 VanDerWaalsContact C-N 3.33Å; K1180-C1182 PolarHBondContact O-N 3.29Å; K1180-N1183 WeakPolarHBondContact O-CA 3.43Å; K1180-N1183 WeakPolarHBondContact O-CB 3.45Å; K1180-N1183 PolarHBondContact O-N 3.27Å; K1180-F1184 HydrophobicContact CB-CD2 4.25Å; K1180-F1184 HydrophobicContact CB-CE2 3.84Å; K1180-F1184 WeakPolarHBondContact O-CD2 3.39Å; K1180-F1184 PolarHBondContact O-N 2.92Å
1181Q73.8Confident71.4Confident75 Ų7579.9 Ų79.935%0.3541%0.406SS..Hα-helixtrans-51.5-49.3-174.3-172.4167.3-1.100113.5F1177 N1183 F1184 E1185F1177-Q1181 PolarHBondContact O-N 2.9Å; Q1181-N1183 PolarHBondContact O-N 2.96Å; Q1181-N1183 VanDerWaalsContact O-N 3.15Å; Q1181-F1184 WeakPolarHBondContact O-CB 3.44Å; Q1181-F1184 PolarHBondContact O-N 2.85Å; Q1181-E1185 PolarHBondContact O-N 3.43Å
1182C70.4Confident71.6Confident80 Ų8082.3 Ų82.354%0.54141%0.409SS..Hα-helixtrans-66.4-16178.1-62.80000114.5K1180 N1186K1180-C1182 PolarHBondContact O-N 3.29Å; C1182-N1186 PolarHBondContact O-N 3.41Å; C1182-N1186 PolarHBondContact O-ND2 2.87Å
1183N68.4Low71.6Confident69 Ų6985.3 Ų85.337%0.36943%0.427SS..Hα-helixtrans-83.3-32.8172.5-58.8-42.6000111.2M1152 K1180 Q1181 N1186 L1187M1152-N1183 HydrophobicContact SD-CB 3.82Å; K1180-N1183 WeakPolarHBondContact O-CA 3.43Å; K1180-N1183 WeakPolarHBondContact O-CB 3.45Å; K1180-N1183 PolarHBondContact O-N 3.27Å; Q1181-N1183 PolarHBondContact O-N 2.96Å; Q1181-N1183 VanDerWaalsContact O-N 3.15Å; N1183-N1186 PolarHBondContact O-N 2.78Å; N1183-L1187 PolarHBondContact O-N 3.3Å
1184F68.7Low71.5Confident61 Ų6184 Ų8427%0.26842%0.424SS..Hα-helixtrans-66-43.7170.3-68.7-68.5000111.6L1156 F1177 K1180 Q1181 N1186 L1187 E1188L1156-F1184 HydrophobicContact CD1-CZ 3.91Å; L1156-F1184 HydrophobicContact CD2-CZ 4.37Å; F1177-F1184 HydrophobicContact CD2-CE2 4.36Å; F1177-F1184 HydrophobicContact CE2-CE2 4.22Å; K1180-F1184 HydrophobicContact CB-CD2 4.25Å; K1180-F1184 HydrophobicContact CB-CE2 3.84Å; K1180-F1184 WeakPolarHBondContact O-CD2 3.39Å; K1180-F1184 PolarHBondContact O-N 2.92Å; Q1181-F1184 WeakPolarHBondContact O-CB 3.44Å; Q1181-F1184 PolarHBondContact O-N 2.85Å; F1184-N1186 VanDerWaalsContact C-N 3.3Å; F1184-N1186 PolarHBondContact O-N 3.41Å; F1184-L1187 WeakPolarHBondContact O-CB 3.44Å; F1184-L1187 PolarHBondContact O-N 3.19Å; F1184-E1188 PolarHBondContact O-N 3.46Å
1185E74.1Confident71.5Confident96 Ų9686.2 Ų86.245%0.44943%0.433SS..Hα-helixtrans-59-38.2175.2-68.2170.7160.200112.3Q1181 Q1189Q1181-E1185 PolarHBondContact O-N 3.43Å; E1185-Q1189 PolarHBondContact O-N 2.82Å; E1185-Q1189 VanDerWaalsContact O-N 3.1Å
1186N71Confident71.7Confident101 Ų10190.3 Ų90.354%0.5444%0.442SS..Hα-helixtrans-69.2-36.1173.3-86.2-74.1000112.8C1182 N1183 F1184 N1190C1182-N1186 PolarHBondContact O-N 3.41Å; C1182-N1186 PolarHBondContact O-ND2 2.87Å; N1183-N1186 PolarHBondContact O-N 2.78Å; F1184-N1186 VanDerWaalsContact C-N 3.3Å; F1184-N1186 PolarHBondContact O-N 3.41Å; N1186-N1190 PolarHBondContact O-N 2.78Å; N1186-N1190 VanDerWaalsContact O-N 3.11Å
1187L68.5Low71.6Confident59 Ų5992.3 Ų92.331%0.30946%0.458SS..Hα-helixtrans-67.6-38.9176.8-169.868.2000111.2A1149 M1152 N1183 F1184 N1190 Y1191A1149-L1187 HydrophobicContact CB-CD1 4.36Å; A1149-L1187 HydrophobicContact CB-CD2 4.26Å; M1152-L1187 HydrophobicContact CE-CD1 4.34Å; M1152-L1187 HydrophobicContact CE-CD2 4.3Å; N1183-L1187 PolarHBondContact O-N 3.3Å; F1184-L1187 WeakPolarHBondContact O-CB 3.44Å; F1184-L1187 PolarHBondContact O-N 3.19Å; L1187-N1190 PolarHBondContact O-N 2.77Å; L1187-Y1191 WeakPolarHBondContact O-CB 3.37Å; L1187-Y1191 PolarHBondContact O-N 3.31Å
1188E73Confident71.7Confident118 Ų11893.7 Ų93.755%0.55147%0.469SS*.Hα-helixtrans-63.7-45.8175-175.1173.9-156.500112F1184 N1190 Y1191 L1192F1184-E1188 PolarHBondContact O-N 3.46Å; E1188-N1190 PolarHBondContact O-N 3.36Å; E1188-Y1191 WeakPolarHBondContact O-CB 3.31Å; E1188-Y1191 PolarHBondContact O-N 3.49Å; E1188-L1192 HydrophobicContact CG-CD1 4.37Å; E1188-L1192 PolarHBondContact O-N 3Å
1189Q74.6Confident71.8Confident134 Ų13492.5 Ų92.563%0.62647%0.468SS*.Hα-helixtrans-61.8-41.5174.2-73.1-141.2-14.200112.9E1185 Y1191 L1192 I1193E1185-Q1189 PolarHBondContact O-N 2.82Å; E1185-Q1189 VanDerWaalsContact O-N 3.1Å; Q1189-Y1191 VanDerWaalsContact C-N 3.34Å; Q1189-Y1191 PolarHBondContact O-N 3.44Å; Q1189-L1192 PolarHBondContact O-N 3.01Å; Q1189-I1193 WeakPolarHBondContact O-CG1 3.42Å; Q1189-I1193 PolarHBondContact O-N 3.02Å; Q1189-I1193 VanDerWaalsContact O-N 3.1Å
1190N69.8Low72Confident71 Ų7191 Ų9138%0.3846%0.464SS..Hα-helixtrans-63-41.1175.1-78.2-8.7000111.6N1186 L1187 E1188 I1193 I1194N1186-N1190 PolarHBondContact O-N 2.78Å; N1186-N1190 VanDerWaalsContact O-N 3.11Å; L1187-N1190 PolarHBondContact O-N 2.77Å; E1188-N1190 PolarHBondContact O-N 3.36Å; N1190-I1193 PolarHBondContact O-N 3.34Å; N1190-I1194 WeakPolarHBondContact O-CD1 3.41Å; N1190-I1194 VanDerWaalsContact O-CG1 3.31Å; N1190-I1194 WeakPolarHBondContact O-CG1 3.46Å; N1190-I1194 PolarHBondContact O-N 3.34Å
1191Y70.1Confident72Confident152 Ų15290.4 Ų90.460%0.59646%0.464SS*.Hα-helixtrans-60.7-44.7176.1-177.6-95.1000112.2L1187 E1188 Q1189 I1193 I1194 Q1195L1187-Y1191 WeakPolarHBondContact O-CB 3.37Å; L1187-Y1191 PolarHBondContact O-N 3.31Å; E1188-Y1191 WeakPolarHBondContact O-CB 3.31Å; E1188-Y1191 PolarHBondContact O-N 3.49Å; Q1189-Y1191 VanDerWaalsContact C-N 3.34Å; Q1189-Y1191 PolarHBondContact O-N 3.44Å; Y1191-I1193 PolarHBondContact O-N 3.04Å; Y1191-I1194 PolarHBondContact O-N 2.75Å; Y1191-Q1195 WeakPolarHBondContact O-CB 3.31Å; Y1191-Q1195 PolarHBondContact O-N 3.05Å
1192L76.8Confident71.9Confident95 Ų9590.6 Ų90.650%0.49747%0.47SS..Hα-helixtrans-59-43.6175.1-104.1132.7000112.7E1188 Q1189 I1194 Q1195 Q1196E1188-L1192 HydrophobicContact CG-CD1 4.37Å; E1188-L1192 PolarHBondContact O-N 3Å; Q1189-L1192 PolarHBondContact O-N 3.01Å; L1192-I1194 PolarHBondContact O-N 3.13Å; L1192-Q1195 PolarHBondContact O-N 3.46Å; L1192-Q1196 WeakPolarHBondContact O-CB 3.44Å; L1192-Q1196 PolarHBondContact O-N 3.35Å
1193I75.2Confident72.4Confident109 Ų10991.4 Ų91.456%0.55947%0.466SS*.Hα-helixtrans-63.4-42.1177.2-67.4165.7000111Q1189 N1190 Y1191 S1197Q1189-I1193 WeakPolarHBondContact O-CG1 3.42Å; Q1189-I1193 PolarHBondContact O-N 3.02Å; Q1189-I1193 VanDerWaalsContact O-N 3.1Å; N1190-I1193 PolarHBondContact O-N 3.34Å; Y1191-I1193 PolarHBondContact O-N 3.04Å; I1193-S1197 PolarHBondContact O-N 2.87Å
1194I66.7Low72.7Confident62 Ų6295 Ų9532%0.31848%0.478SS..Hα-helixtrans-65.1-44.8176.6-68.8157.8000110.8L1142 N1190 Y1191 L1192 Q1196 S1197 L1198L1142-I1194 HydrophobicContact CD2-CD1 3.69Å; L1142-I1194 HydrophobicContact CD2-CG1 4.29Å; L1142-I1194 HydrophobicContact CD2-CG2 4.17Å; N1190-I1194 WeakPolarHBondContact O-CD1 3.41Å; N1190-I1194 VanDerWaalsContact O-CG1 3.31Å; N1190-I1194 WeakPolarHBondContact O-CG1 3.46Å; N1190-I1194 PolarHBondContact O-N 3.34Å; Y1191-I1194 PolarHBondContact O-N 2.75Å; L1192-I1194 PolarHBondContact O-N 3.13Å; I1194-Q1196 PolarHBondContact O-N 3.35Å; I1194-S1197 PolarHBondContact O-N 2.91Å; I1194-L1198 WeakPolarHBondContact O-CB 3.34Å; I1194-L1198 PolarHBondContact O-N 3.1Å
1195Q73Confident72.7Confident110 Ų11098.5 Ų98.551%0.51449%0.491SS..Hα-helixtrans-60.5-43.6178.2-175.2-179.6-1.100111.6Y1191 L1192 L1198 S1199Y1191-Q1195 WeakPolarHBondContact O-CB 3.31Å; Y1191-Q1195 PolarHBondContact O-N 3.05Å; L1192-Q1195 PolarHBondContact O-N 3.46Å; Q1195-L1198 PolarHBondContact O-N 2.65Å; Q1195-S1199 PolarHBondContact O-N 3.14Å
1196Q77.1Confident72.7Confident126 Ų12699.2 Ų99.259%0.58949%0.494SS*.Hα-helixtrans-60.4-49.7175.1-162.792.549.300111L1192 I1194 L1198 S1199 D1200L1192-Q1196 WeakPolarHBondContact O-CB 3.44Å; L1192-Q1196 PolarHBondContact O-N 3.35Å; I1194-Q1196 PolarHBondContact O-N 3.35Å; Q1196-L1198 VanDerWaalsContact C-N 3.28Å; Q1196-L1198 PolarHBondContact O-N 2.69Å; Q1196-S1199 PolarHBondContact O-N 2.63Å; Q1196-D1200 PolarHBondContact O-N 2.64Å; Q1196-D1200 VanDerWaalsContact O-N 3.1Å
1197S70.4Confident73.1Confident73 Ų7398.8 Ų98.851%0.5149%0.492SS..Hα-helixtrans-65.7-27.9179.7-172.80000113.7I1193 I1194 T1201I1193-S1197 PolarHBondContact O-N 2.87Å; I1194-S1197 PolarHBondContact O-N 2.91Å; S1197-T1201 PolarHBondContact O-N 2.96Å; S1197-T1201 PolarHBondContact O-OG1 2.8Å
1198L67.9Low73.4Confident108 Ų108100.3 Ų100.357%0.56550%0.5SS*.Hα-helixtrans-77.7-37.9175.5-168.370.3000111.4I1194 Q1195 Q1196 D1200 T1201 V1202I1194-L1198 WeakPolarHBondContact O-CB 3.34Å; I1194-L1198 PolarHBondContact O-N 3.1Å; Q1195-L1198 PolarHBondContact O-N 2.65Å; Q1196-L1198 VanDerWaalsContact C-N 3.28Å; Q1196-L1198 PolarHBondContact O-N 2.69Å; L1198-D1200 VanDerWaalsContact C-N 3.3Å; L1198-D1200 PolarHBondContact O-N 3.04Å; L1198-T1201 WeakPolarHBondContact CA-OG1 3.16Å; L1198-T1201 PolarHBondContact O-N 3.28Å; L1198-T1201 PolarHBondContact O-OG1 3.01Å; L1198-V1202 WeakPolarHBondContact O-CG2 3.36Å; L1198-V1202 PolarHBondContact O-N 3.09Å
1199S76.5Confident73.6Confident73 Ų7395.1 Ų95.151%0.5148%0.478SS..Hα-helixtrans-60.9-41.2173.4-164.10000111.4Q1195 Q1196 T1201 V1202 Q1203Q1195-S1199 PolarHBondContact O-N 3.14Å; Q1196-S1199 PolarHBondContact O-N 2.63Å; S1199-T1201 PolarHBondContact O-N 2.95Å; S1199-V1202 PolarHBondContact O-N 3.4Å; S1199-Q1203 PolarHBondContact O-N 3.29Å
1200D75.3Confident73.8Confident96 Ų9692.7 Ų92.751%0.51347%0.472SS..Hα-helixtrans-67-31.3177.9-77.2-9.4000113.4Q1196 L1198 K1204Q1196-D1200 PolarHBondContact O-N 2.64Å; Q1196-D1200 VanDerWaalsContact O-N 3.1Å; L1198-D1200 VanDerWaalsContact C-N 3.3Å; L1198-D1200 PolarHBondContact O-N 3.04Å; D1200-K1204 WeakPolarHBondContact O-CG 3.21Å; D1200-K1204 PolarHBondContact O-N 2.92Å
1201T70.1Confident74.3Confident30 Ų3092.6 Ų92.618%0.18447%0.474CS..Hα-helixtrans-77.2-41.5172.438.30000112.1S1197 L1198 S1199 Q1203 K1204 Y1205S1197-T1201 PolarHBondContact O-N 2.96Å; S1197-T1201 PolarHBondContact O-OG1 2.8Å; L1198-T1201 WeakPolarHBondContact CA-OG1 3.16Å; L1198-T1201 PolarHBondContact O-N 3.28Å; L1198-T1201 PolarHBondContact O-OG1 3.01Å; S1199-T1201 PolarHBondContact O-N 2.95Å; T1201-Q1203 VanDerWaalsContact C-N 3.28Å; T1201-Q1203 PolarHBondContact O-N 2.86Å; T1201-K1204 WeakPolarHBondContact O-CB 3.23Å; T1201-K1204 PolarHBondContact O-N 3.28Å; T1201-Y1205 WeakPolarHBondContact O-CD2 3.25Å; T1201-Y1205 PolarHBondContact O-N 2.96Å
1202V72.9Confident74.6Confident80 Ų8089.2 Ų89.249%0.48547%0.466SS..Hα-helixtrans-55.9-44.3174.2170.50000110.9L1198 S1199 K1204 Y1205 E1206L1198-V1202 WeakPolarHBondContact O-CG2 3.36Å; L1198-V1202 PolarHBondContact O-N 3.09Å; S1199-V1202 PolarHBondContact O-N 3.4Å; V1202-K1204 VanDerWaalsContact C-N 3.29Å; V1202-K1204 PolarHBondContact O-N 2.91Å; V1202-Y1205 PolarHBondContact O-N 2.79Å; V1202-Y1205 VanDerWaalsContact O-N 3.1Å; V1202-E1206 PolarHBondContact O-N 2.83Å
1203Q79.4Confident74.7Confident97 Ų9787.6 Ų87.645%0.45346%0.458SS..Hα-helixtrans-62.4-32.9177.4-164.465.377.100113.3S1199 T1201 E1206 N1207S1199-Q1203 PolarHBondContact O-N 3.29Å; T1201-Q1203 VanDerWaalsContact C-N 3.28Å; T1201-Q1203 PolarHBondContact O-N 2.86Å; Q1203-E1206 PolarHBondContact NE2-OE2 3.23Å; Q1203-N1207 VanDerWaalsContact O-CG 3.31Å; Q1203-N1207 PolarHBondContact O-N 3.16Å; Q1203-N1207 PolarHBondContact O-ND2 2.8Å
1204K76.6Confident75Confident144 Ų14488.1 Ų88.163%0.62646%0.458SS*.Hα-helixtrans-70.5-38.4173.7-71.1169.6-175.4169.80111.9D1200 T1201 V1202 N1207 L1208D1200-K1204 WeakPolarHBondContact O-CG 3.21Å; D1200-K1204 PolarHBondContact O-N 2.92Å; T1201-K1204 WeakPolarHBondContact O-CB 3.23Å; T1201-K1204 PolarHBondContact O-N 3.28Å; V1202-K1204 VanDerWaalsContact C-N 3.29Å; V1202-K1204 PolarHBondContact O-N 2.91Å; K1204-N1207 PolarHBondContact O-N 3.47Å; K1204-L1208 PolarHBondContact O-N 3.48Å
1205Y68.6Low75.6Confident134 Ų13490.5 Ų90.553%0.52547%0.47SS..Hα-helixtrans-69.5-36.5175.5-75.6-68.1000112.6Y1135 T1201 V1202 L1208 G1209Y1135-Y1205 PolarHBondContact OH-OH 2.78Å; T1201-Y1205 WeakPolarHBondContact O-CD2 3.25Å; T1201-Y1205 PolarHBondContact O-N 2.96Å; V1202-Y1205 PolarHBondContact O-N 2.79Å; V1202-Y1205 VanDerWaalsContact O-N 3.1Å; Y1205-L1208 PolarHBondContact O-N 2.82Å; Y1205-G1209 PolarHBondContact O-N 2.83Å
1206E73.7Confident75.9Confident111 Ų11186.8 Ų86.852%0.51945%0.454SS..Hα-helixtrans-58-49.5169.5-87.5-169.115300111.6V1202 Q1203 L1208 G1209 T1210V1202-E1206 PolarHBondContact O-N 2.83Å; Q1203-E1206 PolarHBondContact NE2-OE2 3.23Å; E1206-L1208 VanDerWaalsContact C-N 3.31Å; E1206-L1208 PolarHBondContact O-N 2.8Å; E1206-G1209 WeakPolarHBondContact O-CA 3.35Å; E1206-G1209 PolarHBondContact O-N 2.83Å; E1206-G1209 VanDerWaalsContact O-N 3.1Å; E1206-T1210 PolarHBondContact O-N 2.86Å
1207N78.9Confident76.1Confident93 Ų9385.8 Ų85.850%0.49745%0.453SS..Hα-helixtrans-59.2-43177.8-71.7-26.8000111.4Q1203 K1204 G1209 T1210 T1211Q1203-N1207 VanDerWaalsContact O-CG 3.31Å; Q1203-N1207 PolarHBondContact O-N 3.16Å; Q1203-N1207 PolarHBondContact O-ND2 2.8Å; K1204-N1207 PolarHBondContact O-N 3.47Å; N1207-G1209 VanDerWaalsContact C-N 3.35Å; N1207-G1209 PolarHBondContact O-N 3.38Å; N1207-T1210 PolarHBondContact O-N 2.87Å; N1207-T1210 PolarHBondContact O-OG1 3.48Å; N1207-T1211 PolarHBondContact O-N 3.48Å
1208L74.5Confident76.8Confident91 Ų9187.9 Ų87.948%0.47645%0.453SS..Hα-helixtrans-62.2-41.9175-173.164.2000111.7K1204 Y1205 E1206 T1210 T1211 I1212K1204-L1208 PolarHBondContact O-N 3.48Å; Y1205-L1208 PolarHBondContact O-N 2.82Å; E1206-L1208 VanDerWaalsContact C-N 3.31Å; E1206-L1208 PolarHBondContact O-N 2.8Å; L1208-T1210 PolarHBondContact O-N 3.48Å; L1208-T1211 PolarHBondContact O-N 3.48Å; L1208-T1211 VanDerWaalsContact O-N 3.15Å; L1208-T1211 PolarHBondContact O-OG1 3.39Å; L1208-I1212 HydrophobicContact CG-CD1 4.12Å; L1208-I1212 WeakPolarHBondContact O-CG1 3.43Å; L1208-I1212 PolarHBondContact O-N 3.46Å
1209G76.6Confident77.2Confident9 Ų987 Ų879%0.09345%0.448CS..Hα-helixtrans-55.6-46.8173.900000112.7Y1205 E1206 N1207 T1211 I1212 N1213Y1205-G1209 PolarHBondContact O-N 2.83Å; E1206-G1209 WeakPolarHBondContact O-CA 3.35Å; E1206-G1209 PolarHBondContact O-N 2.83Å; E1206-G1209 VanDerWaalsContact O-N 3.1Å; N1207-G1209 VanDerWaalsContact C-N 3.35Å; N1207-G1209 PolarHBondContact O-N 3.38Å; G1209-T1211 VanDerWaalsContact C-N 3.3Å; G1209-T1211 PolarHBondContact O-N 2.93Å; G1209-I1212 PolarHBondContact O-N 2.89Å; G1209-I1212 VanDerWaalsContact O-N 3.15Å; G1209-N1213 PolarHBondContact O-N 3.49Å; G1209-N1213 PolarHBondContact O-OD1 3.01Å
1210T79.5Confident77.4Confident83 Ų8391 Ų9151%0.50946%0.456SS..Hα-helixtrans-59.6-39.4176.464.50000112.7E1206 N1207 L1208 N1213 E1214E1206-T1210 PolarHBondContact O-N 2.86Å; N1207-T1210 PolarHBondContact O-N 2.87Å; N1207-T1210 PolarHBondContact O-OG1 3.48Å; L1208-T1210 PolarHBondContact O-N 3.48Å; T1210-N1213 PolarHBondContact O-N 2.75Å; T1210-E1214 PolarHBondContact O-N 2.85Å; T1210-E1214 VanDerWaalsContact O-N 3.16Å
1211T80.8Confident77.7Confident68 Ų6891.2 Ų91.242%0.41746%0.457SS..Hα-helixtrans-71.3-29.1177.661.30000113.8N1207 L1208 G1209 L1215N1207-T1211 PolarHBondContact O-N 3.48Å; L1208-T1211 PolarHBondContact O-N 3.48Å; L1208-T1211 VanDerWaalsContact O-N 3.15Å; L1208-T1211 PolarHBondContact O-OG1 3.39Å; G1209-T1211 VanDerWaalsContact C-N 3.3Å; G1209-T1211 PolarHBondContact O-N 2.93Å; T1211-L1215 WeakPolarHBondContact O-CG 3.47Å; T1211-L1215 PolarHBondContact O-N 3.46Å
1212I76.4Confident78Confident81 Ų8192.7 Ų92.742%0.41547%0.468SS..Hα-helixtrans-69.6-44.4174-70.7167.9000109.9L1208 G1209 E1214 L1215 N1216L1208-I1212 HydrophobicContact CG-CD1 4.12Å; L1208-I1212 WeakPolarHBondContact O-CG1 3.43Å; L1208-I1212 PolarHBondContact O-N 3.46Å; G1209-I1212 PolarHBondContact O-N 2.89Å; G1209-I1212 VanDerWaalsContact O-N 3.15Å; I1212-E1214 PolarHBondContact O-N 2.76Å; I1212-L1215 WeakPolarHBondContact O-CB 3.13Å; I1212-L1215 PolarHBondContact O-N 2.93Å; I1212-N1216 PolarHBondContact O-N 2.79Å
1213N78Confident78.4Confident62 Ų6293.1 Ų93.133%0.33246%0.463SS..Hα-helixtrans-61.8-43.1179-64.47.2000111.4G1209 T1210 L1215 N1216 D1217G1209-N1213 PolarHBondContact O-N 3.49Å; G1209-N1213 PolarHBondContact O-OD1 3.01Å; T1210-N1213 PolarHBondContact O-N 2.75Å; N1213-L1215 PolarHBondContact O-N 2.98Å; N1213-N1216 PolarHBondContact O-N 3.48Å; N1213-N1216 VanDerWaalsContact O-N 3.14Å; N1213-D1217 PolarHBondContact O-N 3.11Å
1214E82.3Confident78.4Confident119 Ų11991.7 Ų91.756%0.55646%0.464SS*.Hα-helixtrans-60.4-27.5173.8-82.9-160.8-161.500114.4T1210 I1212 K1218T1210-E1214 PolarHBondContact O-N 2.85Å; T1210-E1214 VanDerWaalsContact O-N 3.16Å; I1212-E1214 PolarHBondContact O-N 2.76Å; E1214-K1218 VanDerWaalsContact O-CD 3.22Å; E1214-K1218 WeakPolarHBondContact O-CD 3.35Å; E1214-K1218 WeakPolarHBondContact O-CE 3.34Å; E1214-K1218 VanDerWaalsContact O-CG 3.29Å; E1214-K1218 WeakPolarHBondContact O-CG 3.3Å; E1214-K1218 PolarHBondContact O-NZ 3.21Å; E1214-K1218 IonicContact OE2-NZ 2.76Å; E1214-K1218 PolarHBondContact OE2-NZ 3.35Å
1215L79.2Confident78.6Confident112 Ų11290.5 Ų90.559%0.58646%0.461SS*.Hα-helixtrans-83.2-36.6174.9-73.2168.4000111.1T1211 I1212 N1213 K1218 L1219T1211-L1215 WeakPolarHBondContact O-CG 3.47Å; T1211-L1215 PolarHBondContact O-N 3.46Å; I1212-L1215 WeakPolarHBondContact O-CB 3.13Å; I1212-L1215 PolarHBondContact O-N 2.93Å; N1213-L1215 PolarHBondContact O-N 2.98Å; L1215-K1218 PolarHBondContact O-N 2.66Å; L1215-L1219 WeakPolarHBondContact O-CB 3.16Å; L1215-L1219 PolarHBondContact O-N 3.02Å
1216N78.6Confident79Confident32 Ų3287.4 Ų87.417%0.17146%0.456CS..Hα-helixtrans-64.6-42.2177.5-154.918.5000111.5E1105 I1212 N1213 K1218 L1219 K1220E1105-N1216 PolarHBondContact OE1-ND2 3.16Å; I1212-N1216 PolarHBondContact O-N 2.79Å; N1213-N1216 PolarHBondContact O-N 3.48Å; N1213-N1216 VanDerWaalsContact O-N 3.14Å; N1216-K1218 PolarHBondContact O-N 2.96Å; N1216-L1219 PolarHBondContact O-N 2.9Å; N1216-K1220 WeakPolarHBondContact O-CB 3.32Å; N1216-K1220 PolarHBondContact O-N 2.85Å
1217D81.1Confident79.3Confident106 Ų10686.7 Ų86.757%0.56745%0.452SS*.Hα-helixtrans-60.4-43.6173.5-83.2-23.4000112.3N1213 L1219 K1220 I1221N1213-D1217 PolarHBondContact O-N 3.11Å; D1217-L1219 VanDerWaalsContact C-N 3.35Å; D1217-L1219 PolarHBondContact O-N 3.34Å; D1217-K1220 PolarHBondContact O-N 3.47Å; D1217-I1221 WeakPolarHBondContact O-CG1 3.2Å; D1217-I1221 PolarHBondContact O-N 2.86Å
1218K85.1Confident79.5Confident117 Ų11785.8 Ų85.851%0.50945%0.453SS..Hα-helixtrans-64.3-39.6176.2-70.6166.6-168.2135.20111.5E1214 L1215 N1216 S1222E1214-K1218 VanDerWaalsContact O-CD 3.22Å; E1214-K1218 WeakPolarHBondContact O-CD 3.35Å; E1214-K1218 WeakPolarHBondContact O-CE 3.34Å; E1214-K1218 VanDerWaalsContact O-CG 3.29Å; E1214-K1218 WeakPolarHBondContact O-CG 3.3Å; E1214-K1218 PolarHBondContact O-NZ 3.21Å; E1214-K1218 IonicContact OE2-NZ 2.76Å; E1214-K1218 PolarHBondContact OE2-NZ 3.35Å; L1215-K1218 PolarHBondContact O-N 2.66Å; N1216-K1218 PolarHBondContact O-N 2.96Å; K1218-S1222 PolarHBondContact O-N 2.92Å
1219L76.7Confident79.8Confident90 Ų9086.5 Ų86.547%0.47146%0.457SS..Hα-helixtrans-65.5-43.3175.9-176.363.8000111.6L1215 N1216 D1217 I1221 S1222 K1223L1215-L1219 WeakPolarHBondContact O-CB 3.16Å; L1215-L1219 PolarHBondContact O-N 3.02Å; N1216-L1219 PolarHBondContact O-N 2.9Å; D1217-L1219 VanDerWaalsContact C-N 3.35Å; D1217-L1219 PolarHBondContact O-N 3.34Å; L1219-I1221 PolarHBondContact O-N 3.3Å; L1219-S1222 WeakPolarHBondContact O-CB 3.17Å; L1219-S1222 PolarHBondContact O-N 3.46Å; L1219-S1222 VanDerWaalsContact O-N 3.16Å; L1219-K1223 PolarHBondContact O-N 3.3Å
1220K80.3Confident80Confident155 Ų15591.7 Ų91.767%0.67448%0.479SS*.Hα-helixtrans-61.5-42.3177.3-168.9173.1-176.7175.10112.1N1216 D1217 K1223 S1224N1216-K1220 WeakPolarHBondContact O-CB 3.32Å; N1216-K1220 PolarHBondContact O-N 2.85Å; D1217-K1220 PolarHBondContact O-N 3.47Å; K1220-K1223 PolarHBondContact O-N 2.91Å; K1220-S1224 PolarHBondContact O-N 2.99Å; K1220-S1224 VanDerWaalsContact O-N 3.12Å
1221I83.1Confident80Confident102 Ų10291.8 Ų91.852%0.52348%0.479SS..Hα-helixtrans-60-48.8171.9-67.5165.6000110.2D1217 L1219 K1223 S1224 Q1225D1217-I1221 WeakPolarHBondContact O-CG1 3.2Å; D1217-I1221 PolarHBondContact O-N 2.86Å; L1219-I1221 PolarHBondContact O-N 3.3Å; I1221-K1223 PolarHBondContact O-N 3.25Å; I1221-S1224 PolarHBondContact O-N 3.48Å; I1221-S1224 PolarHBondContact O-OG 3.38Å; I1221-Q1225 PolarHBondContact O-N 3.27Å
1222S75.5Confident80Confident61 Ų6194.4 Ų94.443%0.42749%0.487SS..Hα-helixtrans-61.8-39.4178.9-165.70000112.9K1218 L1219 Q1225 V1226K1218-S1222 PolarHBondContact O-N 2.92Å; L1219-S1222 WeakPolarHBondContact O-CB 3.17Å; L1219-S1222 PolarHBondContact O-N 3.46Å; L1219-S1222 VanDerWaalsContact O-N 3.16Å; S1222-Q1225 PolarHBondContact O-N 3.01Å; S1222-V1226 WeakPolarHBondContact O-CG2 3.48Å; S1222-V1226 PolarHBondContact O-N 2.91Å; S1222-V1226 VanDerWaalsContact O-N 3.1Å
1223K80.5Confident79.9Confident88 Ų8895.4 Ų95.438%0.38349%0.492SS..Hα-helixtrans-63.3-45.2178.1-173.2175.7-180178.80111.6L1219 K1220 I1221 Q1225 V1226 E1227L1219-K1223 PolarHBondContact O-N 3.3Å; K1220-K1223 PolarHBondContact O-N 2.91Å; I1221-K1223 PolarHBondContact O-N 3.25Å; K1223-Q1225 PolarHBondContact O-N 3.3Å; K1223-V1226 PolarHBondContact O-N 3.48Å; K1223-E1227 WeakPolarHBondContact CE-OE1 3.28Å; K1223-E1227 PolarHBondContact O-N 2.69Å
1224S79.4Confident79.8Confident67 Ų6795 Ų9547%0.46950%0.498SS..Hα-helixtrans-62.4-28.8176.669.20000113.6K1220 I1221 S1228K1220-S1224 PolarHBondContact O-N 2.99Å; K1220-S1224 VanDerWaalsContact O-N 3.12Å; I1221-S1224 PolarHBondContact O-N 3.48Å; I1221-S1224 PolarHBondContact O-OG 3.38Å; S1224-S1228 PolarHBondContact O-N 3.14Å
1225Q82.2Confident79.5Confident120 Ų12094.7 Ų94.756%0.56150%0.5SS*.Hα-helixtrans-73-37.3172.3-69.1178.1-10.400112.2I1221 S1222 K1223 S1228 L1229I1221-Q1225 PolarHBondContact O-N 3.27Å; S1222-Q1225 PolarHBondContact O-N 3.01Å; K1223-Q1225 PolarHBondContact O-N 3.3Å; Q1225-S1228 PolarHBondContact O-N 3.06Å; Q1225-L1229 WeakPolarHBondContact O-CG 3.35Å; Q1225-L1229 PolarHBondContact O-N 3.41Å; Q1225-L1229 VanDerWaalsContact O-N 3.17Å
1226V77Confident79.2Confident68 Ų6892.6 Ų92.641%0.41249%0.492SS..Hα-helixtrans-67.1-46.8175.3174.60000111S1222 K1223 S1228 L1229 E1230S1222-V1226 WeakPolarHBondContact O-CG2 3.48Å; S1222-V1226 PolarHBondContact O-N 2.91Å; S1222-V1226 VanDerWaalsContact O-N 3.1Å; K1223-V1226 PolarHBondContact O-N 3.48Å; V1226-S1228 PolarHBondContact O-N 3.29Å; V1226-L1229 CarbonylContact O-C 3.57Å; V1226-L1229 WeakPolarHBondContact O-CA 3.4Å; V1226-L1229 PolarHBondContact O-N 2.93Å; V1226-E1230 HydrophobicContact CG1-CG 4.12Å; V1226-E1230 WeakPolarHBondContact O-CG 3.38Å; V1226-E1230 PolarHBondContact O-N 3.32Å
1227E79.8Confident78.6Confident97 Ų9796.4 Ų96.445%0.45351%0.511SS..Hα-helixtrans-59-35.5176.7-70170.2-176.900112K1223 T1231K1223-E1227 WeakPolarHBondContact CE-OE1 3.28Å; K1223-E1227 PolarHBondContact O-N 2.69Å; E1227-T1231 WeakPolarHBondContact O-CG2 3.28Å; E1227-T1231 PolarHBondContact O-N 3.28Å; E1227-T1231 PolarHBondContact O-OG1 3.41Å
1228S83.4Confident77.7Confident73 Ų73100.1 Ų100.151%0.5152%0.522SS..Hα-helixtrans-68.1-30.9173.1-1730000113.7S1224 Q1225 V1226 T1231 E1232S1224-S1228 PolarHBondContact O-N 3.14Å; Q1225-S1228 PolarHBondContact O-N 3.06Å; V1226-S1228 PolarHBondContact O-N 3.29Å; S1228-T1231 WeakPolarHBondContact CA-OG1 3.4Å; S1228-T1231 PolarHBondContact O-OG1 3.41Å; S1228-T1231 VanDerWaalsContact O-OG1 3.12Å; S1228-E1232 PolarHBondContact O-N 2.91Å
1229L81.5Confident76.8Confident107 Ų10798.2 Ų98.256%0.5652%0.524SS*.Hα-helixtrans-83.1-33.3177.1-71.4168.4000111.8Q1225 V1226 E1232 L1233Q1225-L1229 WeakPolarHBondContact O-CG 3.35Å; Q1225-L1229 PolarHBondContact O-N 3.41Å; Q1225-L1229 VanDerWaalsContact O-N 3.17Å; V1226-L1229 CarbonylContact O-C 3.57Å; V1226-L1229 WeakPolarHBondContact O-CA 3.4Å; V1226-L1229 PolarHBondContact O-N 2.93Å; L1229-E1232 PolarHBondContact O-N 2.78Å; L1229-L1233 VanDerWaalsContact O-CB 3.28Å; L1229-L1233 WeakPolarHBondContact O-CB 3.35Å; L1229-L1233 PolarHBondContact O-N 2.74Å
1230E79.2Confident75.8Confident118 Ų118100.7 Ų100.755%0.55153%0.533SS*.Hα-helixtrans-67.5-38.6174-73.2-179.9162.500111.6V1226 L1233 A1234V1226-E1230 HydrophobicContact CG1-CG 4.12Å; V1226-E1230 WeakPolarHBondContact O-CG 3.38Å; V1226-E1230 PolarHBondContact O-N 3.32Å; E1230-L1233 PolarHBondContact O-N 3.41Å; E1230-A1234 VanDerWaalsContact O-CB 3.32Å; E1230-A1234 WeakPolarHBondContact O-CB 3.4Å; E1230-A1234 PolarHBondContact O-N 3.21Å
1231T79.4Confident74.6Confident84 Ų8498.2 Ų98.252%0.51553%0.53SS..Hα-helixtrans-67.2-42.9172.943.20000112.2E1227 S1228 L1233 A1234 D1235E1227-T1231 WeakPolarHBondContact O-CG2 3.28Å; E1227-T1231 PolarHBondContact O-N 3.28Å; E1227-T1231 PolarHBondContact O-OG1 3.41Å; S1228-T1231 WeakPolarHBondContact CA-OG1 3.4Å; S1228-T1231 PolarHBondContact O-OG1 3.41Å; S1228-T1231 VanDerWaalsContact O-OG1 3.12Å; T1231-L1233 VanDerWaalsContact C-N 3.32Å; T1231-L1233 PolarHBondContact O-N 3.3Å; T1231-A1234 PolarHBondContact O-N 3.3Å; T1231-D1235 PolarHBondContact O-N 3.49Å
1232E80.5Confident73.3Confident124 Ų12496.7 Ų96.758%0.57953%0.527SS*.Hα-helixtrans-60.7-39.9172-173.1176.8-175.600112S1228 L1229 T1236S1228-E1232 PolarHBondContact O-N 2.91Å; L1229-E1232 PolarHBondContact O-N 2.78Å; E1232-T1236 WeakPolarHBondContact O-CB 3.39Å; E1232-T1236 PolarHBondContact O-N 3.29Å; E1232-T1236 PolarHBondContact O-OG1 3.01Å
1233L75.4Confident72.4Confident101 Ų10199.6 Ų99.653%0.52954%0.537SS..Hα-helixtrans-67.7-41.7175.7-178.862.6000112.1L1229 E1230 T1231 T1236 I1237L1229-L1233 VanDerWaalsContact O-CB 3.28Å; L1229-L1233 WeakPolarHBondContact O-CB 3.35Å; L1229-L1233 PolarHBondContact O-N 2.74Å; E1230-L1233 PolarHBondContact O-N 3.41Å; T1231-L1233 VanDerWaalsContact C-N 3.32Å; T1231-L1233 PolarHBondContact O-N 3.3Å; L1233-T1236 WeakPolarHBondContact O-CB 3.44Å; L1233-T1236 PolarHBondContact O-N 3.43Å; L1233-I1237 HydrophobicContact CD1-CD1 4.21Å; L1233-I1237 HydrophobicContact CD1-CG1 4.35Å; L1233-I1237 HydrophobicContact CG-CD1 3.95Å; L1233-I1237 HydrophobicContact CG-CG1 4.5Å; L1233-I1237 VanDerWaalsContact O-CG1 3.31Å; L1233-I1237 WeakPolarHBondContact O-CG1 3.2Å; L1233-I1237 PolarHBondContact O-N 3.22Å
1234A75.2Confident71.4Confident54 Ų54101.7 Ų101.745%0.44655%0.548SS..Hα-helixtrans-63.8-43.8177.800000111.7E1230 T1231 T1236 I1237 K1238E1230-A1234 VanDerWaalsContact O-CB 3.32Å; E1230-A1234 WeakPolarHBondContact O-CB 3.4Å; E1230-A1234 PolarHBondContact O-N 3.21Å; T1231-A1234 PolarHBondContact O-N 3.3Å; A1234-T1236 VanDerWaalsContact C-N 3.33Å; A1234-I1237 PolarHBondContact O-N 3.25Å; A1234-K1238 VanDerWaalsContact O-CB 3.27Å; A1234-K1238 WeakPolarHBondContact O-CB 3.35Å; A1234-K1238 PolarHBondContact O-N 3.42Å
1235D76.1Confident70.6Confident112 Ų112103.1 Ų103.160%0.59955%0.55SS*.Hα-helixtrans-64.4-37.7173-81.7-18.4000111.5T1231 K1238 S1239T1231-D1235 PolarHBondContact O-N 3.49Å; D1235-K1238 PolarHBondContact O-N 3.03Å; D1235-S1239 WeakPolarHBondContact O-CB 3.33Å; D1235-S1239 PolarHBondContact O-N 3.32Å
1236T74.4Confident69.5Low69 Ų69104.9 Ų104.942%0.42355%0.553SS.*Hα-helixtrans-62.5-49.2174.8-59.10000111.5E1232 L1233 A1234 K1238 S1239 H1240E1232-T1236 WeakPolarHBondContact O-CB 3.39Å; E1232-T1236 PolarHBondContact O-N 3.29Å; E1232-T1236 PolarHBondContact O-OG1 3.01Å; L1233-T1236 WeakPolarHBondContact O-CB 3.44Å; L1233-T1236 PolarHBondContact O-N 3.43Å; A1234-T1236 VanDerWaalsContact C-N 3.33Å; T1236-K1238 VanDerWaalsContact C-N 3.33Å; T1236-K1238 PolarHBondContact O-N 3.49Å; T1236-S1239 PolarHBondContact O-N 2.9Å; T1236-S1239 VanDerWaalsContact O-N 3.07Å; T1236-S1239 PolarHBondContact O-OG 3.23Å; T1236-H1240 PolarHBondContact O-N 3.39Å; T1236-H1240 VanDerWaalsContact O-N 3.16Å
1237I64.2Low69.2Low112 Ų112107.5 Ų107.557%0.57456%0.561SS**Hα-helixtrans-58.7-44.9176.1-70.7166.5000110.4L1233 A1234 S1239 H1240L1233-I1237 HydrophobicContact CD1-CD1 4.21Å; L1233-I1237 HydrophobicContact CD1-CG1 4.35Å; L1233-I1237 HydrophobicContact CG-CD1 3.95Å; L1233-I1237 HydrophobicContact CG-CG1 4.5Å; L1233-I1237 VanDerWaalsContact O-CG1 3.31Å; L1233-I1237 WeakPolarHBondContact O-CG1 3.2Å; L1233-I1237 PolarHBondContact O-N 3.22Å; A1234-I1237 PolarHBondContact O-N 3.25Å; I1237-S1239 PolarHBondContact O-N 2.92Å; I1237-H1240 PolarHBondContact O-N 2.83Å
1238K64.1Low69Low183 Ų183105.6 Ų105.680%0.79656%0.558SS**Hα-helixtrans-66-20.7178.1-161171.9-172.6174.50113.4A1234 D1235 T1236A1234-K1238 VanDerWaalsContact O-CB 3.27Å; A1234-K1238 WeakPolarHBondContact O-CB 3.35Å; A1234-K1238 PolarHBondContact O-N 3.42Å; D1235-K1238 PolarHBondContact O-N 3.03Å; T1236-K1238 VanDerWaalsContact C-N 3.33Å; T1236-K1238 PolarHBondContact O-N 3.49Å
1239S64.5Low68.6Low78 Ų78106.4 Ų106.455%0.54556%0.555SS.*Hα-helixtrans-92.1-15.2177.682.50000114.6D1235 T1236 I1237D1235-S1239 WeakPolarHBondContact O-CB 3.33Å; D1235-S1239 PolarHBondContact O-N 3.32Å; T1236-S1239 PolarHBondContact O-N 2.9Å; T1236-S1239 VanDerWaalsContact O-N 3.07Å; T1236-S1239 PolarHBondContact O-OG 3.23Å; I1237-S1239 PolarHBondContact O-N 2.92Å
1240H55.5Low68.3Low142 Ų142104.3 Ų104.366%0.65755%0.547SS*.SBendtrans-132.4113.5-171.9-85.722.2000112.2T1236 I1237T1236-H1240 PolarHBondContact O-N 3.39Å; T1236-H1240 VanDerWaalsContact O-N 3.16Å; I1237-H1240 PolarHBondContact O-N 2.83Å
1241V55.5Low68.2Low102 Ų102103.1 Ų103.162%0.61855%0.548SS*.SBendtrans78.9102.3-176.8-167.70000113.5Y1246V1241-Y1246 HydrophobicContact CG1-CD2 4.32Å
1242P55.2Low68.2Low71 Ų71104.8 Ų104.846%0.46155%0.55SS..  trans-63.2139.1173.2-16.130.1000111.3E1244 D1245P1242-E1244 WeakPolarHBondContact CB-OE2 3.47Å; P1242-E1244 PolarHBondContact O-N 2.86Å; P1242-D1245 PolarHBondContact O-N 3.42Å
1243I57.4Low68.2Low122 Ų122102.8 Ų102.863%0.62654%0.542SS*.Hα-helixtrans-62.3-27.6-179.8-72.7171.8000111D1245 Y1246 E1247I1243-D1245 VanDerWaalsContact C-N 3.28Å; I1243-D1245 PolarHBondContact O-N 3.04Å; I1243-Y1246 WeakPolarHBondContact O-CA 3.43Å; I1243-Y1246 WeakPolarHBondContact O-CB 3.34Å; I1243-Y1246 PolarHBondContact O-N 3.41Å; I1243-E1247 HydrophobicContact CG2-CG 4.19Å; I1243-E1247 PolarHBondContact O-N 3.24Å
1244E60.1Low68.4Low132 Ų132102.1 Ų102.162%0.61754%0.539SS*.Hα-helixtrans-59.2-34.1176.9-59.590.7156.700113.1P1242 S1248P1242-E1244 WeakPolarHBondContact CB-OE2 3.47Å; P1242-E1244 PolarHBondContact O-N 2.86Å; E1244-S1248 VanDerWaalsContact O-CB 3.31Å; E1244-S1248 WeakPolarHBondContact O-CB 3.44Å; E1244-S1248 PolarHBondContact O-N 3.32Å
1245D61.6Low68.7Low96 Ų96102.1 Ų102.151%0.51354%0.539SS..Hα-helixtrans-72-33.8174.8-80-26.4000111.3P1242 I1243 I1249P1242-D1245 PolarHBondContact O-N 3.42Å; I1243-D1245 VanDerWaalsContact C-N 3.28Å; I1243-D1245 PolarHBondContact O-N 3.04Å; D1245-I1249 VanDerWaalsContact O-CG1 3.31Å; D1245-I1249 WeakPolarHBondContact O-CG1 3.31Å; D1245-I1249 PolarHBondContact O-N 3.42Å
1246Y60.4Low69Low157 Ų157101.6 Ų101.662%0.61654%0.54SS*.Hα-helixtrans-70.7-42.4175.4-120.8-85.5000111.5V1241 I1243 S1248 I1249 V1250V1241-Y1246 HydrophobicContact CG1-CD2 4.32Å; I1243-Y1246 WeakPolarHBondContact O-CA 3.43Å; I1243-Y1246 WeakPolarHBondContact O-CB 3.34Å; I1243-Y1246 PolarHBondContact O-N 3.41Å; Y1246-S1248 VanDerWaalsContact C-N 3.33Å; Y1246-S1248 PolarHBondContact O-N 3.08Å; Y1246-I1249 PolarHBondContact O-N 2.73Å; Y1246-V1250 HydrophobicContact CD1-CG2 4.5Å; Y1246-V1250 WeakPolarHBondContact O-CB 3.47Å; Y1246-V1250 VanDerWaalsContact O-CG2 3.29Å; Y1246-V1250 WeakPolarHBondContact O-CG2 3.49Å; Y1246-V1250 PolarHBondContact O-N 3.14Å
1247E71.1Confident69.4Low124 Ų124103.5 Ų103.558%0.57954%0.544SS*.Hα-helixtrans-62.8-38.7173.1-70.7-174.7163.300111.8I1243 V1250 T1251I1243-E1247 HydrophobicContact CG2-CG 4.19Å; I1243-E1247 PolarHBondContact O-N 3.24Å; E1247-V1250 PolarHBondContact O-N 2.97Å; E1247-T1251 WeakPolarHBondContact O-CB 3.37Å; E1247-T1251 PolarHBondContact O-N 2.87Å; E1247-T1251 PolarHBondContact O-OG1 3.04Å
1248S73.8Confident70.3Confident57 Ų57100.6 Ų100.640%0.39953%0.528SS..Hα-helixtrans-62.2-41.5173.4-179.20000112.5E1244 Y1246 Q1252E1244-S1248 VanDerWaalsContact O-CB 3.31Å; E1244-S1248 WeakPolarHBondContact O-CB 3.44Å; E1244-S1248 PolarHBondContact O-N 3.32Å; Y1246-S1248 VanDerWaalsContact C-N 3.33Å; Y1246-S1248 PolarHBondContact O-N 3.08Å; S1248-Q1252 WeakPolarHBondContact O-CG 3.42Å; S1248-Q1252 PolarHBondContact O-N 2.85Å; S1248-Q1252 VanDerWaalsContact O-N 3.16Å; S1248-Q1252 PolarHBondContact O-NE2 3.39Å; S1248-Q1252 VanDerWaalsContact O-NE2 3.17Å; S1248-Q1252 PolarHBondContact OG-NE2 2.9Å
1249I75.1Confident71.3Confident89 Ų8996.9 Ų96.946%0.45652%0.517SS..Hα-helixtrans-70.3-43.3175.7-70.6166.6000111.2D1245 Y1246 T1251 Q1252 I1253D1245-I1249 VanDerWaalsContact O-CG1 3.31Å; D1245-I1249 WeakPolarHBondContact O-CG1 3.31Å; D1245-I1249 PolarHBondContact O-N 3.42Å; Y1246-I1249 PolarHBondContact O-N 2.73Å; I1249-T1251 VanDerWaalsContact C-N 3.31Å; I1249-T1251 PolarHBondContact O-N 3.12Å; I1249-Q1252 WeakPolarHBondContact O-CB 3.49Å; I1249-Q1252 PolarHBondContact O-N 3.36Å; I1249-Q1252 VanDerWaalsContact O-N 3.15Å; I1249-I1253 HydrophobicContact CG2-CD1 3.86Å; I1249-I1253 HydrophobicContact CG2-CG1 4.42Å; I1249-I1253 WeakPolarHBondContact O-CG1 3.43Å; I1249-I1253 PolarHBondContact O-N 3.08Å
1250V76.2Confident72.1Confident64 Ų6498.7 Ų98.739%0.38852%0.52SS..Hα-helixtrans-62.1-39.3176.5167.90000111Y1246 E1247 Q1252 I1253 N1254Y1246-V1250 HydrophobicContact CD1-CG2 4.5Å; Y1246-V1250 WeakPolarHBondContact O-CB 3.47Å; Y1246-V1250 VanDerWaalsContact O-CG2 3.29Å; Y1246-V1250 WeakPolarHBondContact O-CG2 3.49Å; Y1246-V1250 PolarHBondContact O-N 3.14Å; E1247-V1250 PolarHBondContact O-N 2.97Å; V1250-Q1252 VanDerWaalsContact C-N 3.33Å; V1250-Q1252 PolarHBondContact O-N 3.36Å; V1250-I1253 PolarHBondContact O-N 3.42Å; V1250-N1254 WeakPolarHBondContact O-CB 3.17Å; V1250-N1254 PolarHBondContact O-N 3.4Å; V1250-N1254 PolarHBondContact O-ND2 3.42Å
1251T77.3Confident73.4Confident92 Ų9293.3 Ų93.356%0.56450%0.498SS*.Hα-helixtrans-63.9-38.4174.9-54.40000111.7E1247 I1249 A1255E1247-T1251 WeakPolarHBondContact O-CB 3.37Å; E1247-T1251 PolarHBondContact O-N 2.87Å; E1247-T1251 PolarHBondContact O-OG1 3.04Å; I1249-T1251 VanDerWaalsContact C-N 3.31Å; I1249-T1251 PolarHBondContact O-N 3.12Å; T1251-A1255 PolarHBondContact O-N 2.83Å; T1251-A1255 VanDerWaalsContact O-N 3.12Å
1252Q78Confident74.7Confident119 Ų11990.1 Ų90.156%0.55648%0.475SS*.Hα-helixtrans-68.4-39.3173.6-72.7171.366.900112.6S1248 I1249 V1250 A1255 V1256S1248-Q1252 WeakPolarHBondContact O-CG 3.42Å; S1248-Q1252 PolarHBondContact O-N 2.85Å; S1248-Q1252 VanDerWaalsContact O-N 3.16Å; S1248-Q1252 PolarHBondContact O-NE2 3.39Å; S1248-Q1252 VanDerWaalsContact O-NE2 3.17Å; S1248-Q1252 PolarHBondContact OG-NE2 2.9Å; I1249-Q1252 WeakPolarHBondContact O-CB 3.49Å; I1249-Q1252 PolarHBondContact O-N 3.36Å; I1249-Q1252 VanDerWaalsContact O-N 3.15Å; V1250-Q1252 VanDerWaalsContact C-N 3.33Å; V1250-Q1252 PolarHBondContact O-N 3.36Å; Q1252-A1255 PolarHBondContact O-N 3.35Å; Q1252-V1256 WeakPolarHBondContact O-CG2 3.4Å; Q1252-V1256 PolarHBondContact O-N 2.88Å; Q1252-V1256 VanDerWaalsContact O-N 3.1Å
1253I80.3Confident75.9Confident83 Ų8389.2 Ų89.243%0.42647%0.474SS..Hα-helixtrans-62.6-49.3174.5-70.8168.6000110.1I1249 V1250 A1255 V1256 E1257I1249-I1253 HydrophobicContact CG2-CD1 3.86Å; I1249-I1253 HydrophobicContact CG2-CG1 4.42Å; I1249-I1253 WeakPolarHBondContact O-CG1 3.43Å; I1249-I1253 PolarHBondContact O-N 3.08Å; V1250-I1253 PolarHBondContact O-N 3.42Å; I1253-A1255 VanDerWaalsContact C-N 3.28Å; I1253-A1255 PolarHBondContact O-N 2.82Å; I1253-V1256 CarbonylContact O-C 3.52Å; I1253-V1256 PolarHBondContact O-N 2.95Å; I1253-E1257 HydrophobicContact CG2-CG 4.23Å; I1253-E1257 WeakPolarHBondContact O-CG 3.24Å; I1253-E1257 PolarHBondContact O-N 3.31Å
1254N80.2Confident77.1Confident86 Ų8687.8 Ų87.846%0.4647%0.465SS..Hα-helixtrans-57.8-39.4178.4-69.7-16.6000112.2V1250 E1257 E1258V1250-N1254 WeakPolarHBondContact O-CB 3.17Å; V1250-N1254 PolarHBondContact O-N 3.4Å; V1250-N1254 PolarHBondContact O-ND2 3.42Å; N1254-E1257 PolarHBondContact O-N 2.83Å; N1254-E1258 WeakPolarHBondContact O-CB 3.34Å; N1254-E1258 PolarHBondContact O-N 2.73Å
1255A82Confident78.1Confident54 Ų5482.5 Ų82.545%0.44644%0.442SS..Hα-helixtrans-65.2-41.217500000112.5T1251 Q1252 I1253 E1258 D1259T1251-A1255 PolarHBondContact O-N 2.83Å; T1251-A1255 VanDerWaalsContact O-N 3.12Å; Q1252-A1255 PolarHBondContact O-N 3.35Å; I1253-A1255 VanDerWaalsContact C-N 3.28Å; I1253-A1255 PolarHBondContact O-N 2.82Å; A1255-E1258 PolarHBondContact O-N 3.37Å; A1255-D1259 PolarHBondContact O-N 3.17Å; A1255-D1259 VanDerWaalsContact O-N 3.1Å
1256V82.7Confident79.1Confident102 Ų10283.9 Ų83.962%0.61844%0.444SS*.Hα-helixtrans-68.2-37.2175.7171.40000111.7Q1252 I1253 D1259 L1260Q1252-V1256 WeakPolarHBondContact O-CG2 3.4Å; Q1252-V1256 PolarHBondContact O-N 2.88Å; Q1252-V1256 VanDerWaalsContact O-N 3.1Å; I1253-V1256 CarbonylContact O-C 3.52Å; I1253-V1256 PolarHBondContact O-N 2.95Å; V1256-D1259 PolarHBondContact O-N 3.49Å; V1256-L1260 WeakPolarHBondContact O-CB 3.47Å; V1256-L1260 PolarHBondContact O-N 3.46Å
1257E83Confident80.2Confident109 Ų10980 Ų8051%0.50944%0.436SS..Hα-helixtrans-66.8-36.5173.9-73.2-175.1176.800112.4I1253 N1254 L1260 C1261I1253-E1257 HydrophobicContact CG2-CG 4.23Å; I1253-E1257 WeakPolarHBondContact O-CG 3.24Å; I1253-E1257 PolarHBondContact O-N 3.31Å; N1254-E1257 PolarHBondContact O-N 2.83Å; E1257-L1260 PolarHBondContact O-N 3.04Å; E1257-C1261 WeakPolarHBondContact O-CB 3.37Å; E1257-C1261 PolarHBondContact O-N 2.91Å
1258E83.2Confident80.7Confident51 Ų5174.3 Ų74.324%0.23841%0.41CS..Hα-helixtrans-67.1-40175.3-153.3-165.2137.200111.7N1254 A1255 C1261 K1262 C1366N1254-E1258 WeakPolarHBondContact O-CB 3.34Å; N1254-E1258 PolarHBondContact O-N 2.73Å; A1255-E1258 PolarHBondContact O-N 3.37Å; E1258-C1261 WeakPolarHBondContact O-CB 3.45Å; E1258-C1261 PolarHBondContact O-N 3.29Å; E1258-K1262 VanDerWaalsContact O-CG 3.3Å; E1258-K1262 WeakPolarHBondContact O-CG 3.43Å; E1258-K1262 PolarHBondContact O-N 3.29Å; E1258-K1262 WeakPolarHBondContact OE1-CE 3.31Å; E1258-K1262 IonicContact OE1-NZ 3.25Å; E1258-K1262 PolarHBondContact OE1-NZ 3.02Å; E1258-C1366 HydrophobicContact CG-CB 4.37Å; E1258-C1366 WeakPolarHBondContact OE1-CB 3.47Å
1259D83.4Confident81Confident104 Ų10475.7 Ų75.756%0.55641%0.41SS*.Hα-helixtrans-68.8-34.7172.6-82.9-9.5000112.5A1255 V1256 K1262 A1263A1255-D1259 PolarHBondContact O-N 3.17Å; A1255-D1259 VanDerWaalsContact O-N 3.1Å; V1256-D1259 PolarHBondContact O-N 3.49Å; D1259-K1262 PolarHBondContact O-N 3.21Å; D1259-A1263 WeakPolarHBondContact O-CB 3.42Å; D1259-A1263 PolarHBondContact O-N 2.99Å
1260L82.7Confident81.3Confident116 Ų11678.5 Ų78.561%0.60742%0.416SS*.Hα-helixtrans-63.8-45.7172.2-17175.3000111.1V1256 E1257 K1262 A1263 Q1264V1256-L1260 WeakPolarHBondContact O-CB 3.47Å; V1256-L1260 PolarHBondContact O-N 3.46Å; E1257-L1260 PolarHBondContact O-N 3.04Å; L1260-K1262 PolarHBondContact O-N 3.41Å; L1260-A1263 PolarHBondContact O-N 3.49Å; L1260-Q1264 WeakPolarHBondContact O-CB 3.36Å; L1260-Q1264 PolarHBondContact O-N 2.9Å
1261C81.6Confident81.6Confident29 Ų2981 Ų8120%0.19642%0.423CS..Hα-helixtrans-55.1-50.3171.3-830000111E1257 E1258 A1263 Q1264 S1265 L1363E1257-C1261 WeakPolarHBondContact O-CB 3.37Å; E1257-C1261 PolarHBondContact O-N 2.91Å; E1258-C1261 WeakPolarHBondContact O-CB 3.45Å; E1258-C1261 PolarHBondContact O-N 3.29Å; C1261-A1263 VanDerWaalsContact C-N 3.29Å; C1261-A1263 PolarHBondContact O-N 2.87Å; C1261-Q1264 PolarHBondContact O-N 3.49Å; C1261-Q1264 VanDerWaalsContact O-N 3.14Å; C1261-S1265 PolarHBondContact O-N 2.94Å; C1261-S1265 PolarHBondContact O-OG 2.91Å; C1261-L1363 HydrophobicContact CB-CD2 3.86Å
1262K83.2Confident81.8Confident35 Ų3580.4 Ų80.415%0.15241%0.414CS..Hα-helixtrans-60.2-35.3178.7-72.9164.9-170.21630113.3E1258 D1259 L1260 N1365 F1367E1258-K1262 VanDerWaalsContact O-CG 3.3Å; E1258-K1262 WeakPolarHBondContact O-CG 3.43Å; E1258-K1262 PolarHBondContact O-N 3.29Å; E1258-K1262 WeakPolarHBondContact OE1-CE 3.31Å; E1258-K1262 IonicContact OE1-NZ 3.25Å; E1258-K1262 PolarHBondContact OE1-NZ 3.02Å; D1259-K1262 PolarHBondContact O-N 3.21Å; L1260-K1262 PolarHBondContact O-N 3.41Å; K1262-N1365 WeakPolarHBondContact CE-OD1 3.49Å; K1262-N1365 WeakPolarHBondContact CG-OD1 3.34Å; K1262-F1367 VanDerWaalsContact NZ-CZ 3.27Å
1263A80.5Confident81.9Confident52 Ų5279.9 Ų79.943%0.4341%0.412SS..Hα-helixtrans-69.2-45.4174.100000111.3D1259 L1260 C1261 S1265 K1266 V1267D1259-A1263 WeakPolarHBondContact O-CB 3.42Å; D1259-A1263 PolarHBondContact O-N 2.99Å; L1260-A1263 PolarHBondContact O-N 3.49Å; C1261-A1263 VanDerWaalsContact C-N 3.29Å; C1261-A1263 PolarHBondContact O-N 2.87Å; A1263-S1265 PolarHBondContact O-N 3.31Å; A1263-K1266 PolarHBondContact O-N 3.49Å; A1263-K1266 VanDerWaalsContact O-N 3.17Å; A1263-V1267 PolarHBondContact O-N 2.99Å; A1263-V1267 VanDerWaalsContact O-N 3.08Å
1264Q82.7Confident81.9Confident93 Ų9383.9 Ų83.944%0.43542%0.423SS..Hα-helixtrans-60.3-34.3176.1-165.6172.12.400111.4L1260 C1261 K1266 V1267 T1268 L1363L1260-Q1264 WeakPolarHBondContact O-CB 3.36Å; L1260-Q1264 PolarHBondContact O-N 2.9Å; C1261-Q1264 PolarHBondContact O-N 3.49Å; C1261-Q1264 VanDerWaalsContact O-N 3.14Å; Q1264-K1266 VanDerWaalsContact C-N 3.28Å; Q1264-K1266 PolarHBondContact O-N 2.95Å; Q1264-V1267 PolarHBondContact O-N 2.88Å; Q1264-V1267 VanDerWaalsContact O-N 3.16Å; Q1264-T1268 PolarHBondContact O-N 3.29Å; Q1264-T1268 PolarHBondContact O-OG1 3.43Å; Q1264-T1268 VanDerWaalsContact O-OG1 3.07Å; Q1264-L1363 VanDerWaalsContact C-CD1 3.45Å; Q1264-L1363 HydrophobicContact CB-CD1 3.65Å; Q1264-L1363 HydrophobicContact CG-CD1 3.75Å
1265S80.3Confident81.9Confident20 Ų2083.1 Ų83.114%0.1442%0.419CS..Hα-helixtrans-58.9-43.1177.4-43.30000111.2C1261 A1263 T1268 E1269 L1363C1261-S1265 PolarHBondContact O-N 2.94Å; C1261-S1265 PolarHBondContact O-OG 2.91Å; A1263-S1265 PolarHBondContact O-N 3.31Å; S1265-T1268 PolarHBondContact O-OG1 3.37Å; S1265-E1269 WeakPolarHBondContact O-CB 3.35Å; S1265-E1269 PolarHBondContact O-N 3.12Å; S1265-L1363 WeakPolarHBondContact OG-CB 3.5Å
1266K82.4Confident81.9Confident126 Ų12687.3 Ų87.355%0.54843%0.427SS..Hα-helixtrans-73.3-35.2179.3-70.1179178.9173.60112A1263 Q1264 E1269 Y1270A1263-K1266 PolarHBondContact O-N 3.49Å; A1263-K1266 VanDerWaalsContact O-N 3.17Å; Q1264-K1266 VanDerWaalsContact C-N 3.28Å; Q1264-K1266 PolarHBondContact O-N 2.95Å; K1266-E1269 WeakPolarHBondContact O-CB 3.46Å; K1266-E1269 PolarHBondContact O-N 3.18Å; K1266-Y1270 HydrophobicContact CB-CE2 4.21Å; K1266-Y1270 WeakPolarHBondContact O-CD2 3.39Å; K1266-Y1270 VanDerWaalsContact O-CG 3.23Å; K1266-Y1270 PolarHBondContact O-N 3.32Å
1267V84.1Confident81.8Confident74 Ų7487 Ų8745%0.44842%0.421SS..Hα-helixtrans-60.1-49172.4174.60000109.8A1263 Q1264 E1269 Y1270 E1271A1263-V1267 PolarHBondContact O-N 2.99Å; A1263-V1267 VanDerWaalsContact O-N 3.08Å; Q1264-V1267 PolarHBondContact O-N 2.88Å; Q1264-V1267 VanDerWaalsContact O-N 3.16Å; V1267-E1269 VanDerWaalsContact C-N 3.27Å; V1267-E1269 PolarHBondContact O-N 3.14Å; V1267-Y1270 CarbonylContact O-C 3.58Å; V1267-Y1270 PolarHBondContact O-N 3.45Å; V1267-Y1270 VanDerWaalsContact O-N 3.09Å; V1267-E1271 HydrophobicContact CG1-CG 4.47Å; V1267-E1271 WeakPolarHBondContact O-CG 3.24Å; V1267-E1271 PolarHBondContact O-N 2.87Å
1268T81.6Confident81.7Confident6 Ų686.3 Ų86.34%0.03742%0.416CS..Hα-helixtrans-69.1-26.2179.254.20000112.7Q1264 S1265 Q1272 I1361Q1264-T1268 PolarHBondContact O-N 3.29Å; Q1264-T1268 PolarHBondContact O-OG1 3.43Å; Q1264-T1268 VanDerWaalsContact O-OG1 3.07Å; S1265-T1268 PolarHBondContact O-OG1 3.37Å; T1268-Q1272 WeakPolarHBondContact O-CB 3.47Å; T1268-Q1272 VanDerWaalsContact O-CG 3.23Å; T1268-Q1272 WeakPolarHBondContact O-CG 3.45Å; T1268-Q1272 PolarHBondContact O-N 2.67Å; T1268-I1361 HydrophobicContact CG2-CB 3.63Å; T1268-I1361 HydrophobicContact CG2-CD1 3.91Å; T1268-I1361 HydrophobicContact CG2-CG1 4.39Å; T1268-I1361 HydrophobicContact CG2-CG2 3.62Å
1269E80.1Confident81.7Confident85 Ų8590.5 Ų90.540%0.39743%0.433SS..Hα-helixtrans-66.6-46167.9-170.6139.2-108.400112.3S1265 K1266 V1267 E1271 Q1272 E1273 K1362S1265-E1269 WeakPolarHBondContact O-CB 3.35Å; S1265-E1269 PolarHBondContact O-N 3.12Å; K1266-E1269 WeakPolarHBondContact O-CB 3.46Å; K1266-E1269 PolarHBondContact O-N 3.18Å; V1267-E1269 VanDerWaalsContact C-N 3.27Å; V1267-E1269 PolarHBondContact O-N 3.14Å; E1269-E1271 VanDerWaalsContact C-N 3.35Å; E1269-Q1272 PolarHBondContact O-N 2.81Å; E1269-E1273 WeakPolarHBondContact O-CG 3.32Å; E1269-E1273 PolarHBondContact O-N 2.84Å; E1269-K1362 VanDerWaalsContact CB-CE 3.41Å; E1269-K1362 VanDerWaalsContact CG-NZ 3.34Å; E1269-K1362 VanDerWaalsContact OE1-CE 3.23Å; E1269-K1362 WeakPolarHBondContact OE1-CE 3.44Å; E1269-K1362 IonicContact OE1-NZ 3.15Å; E1269-K1362 PolarHBondContact OE1-NZ 3.13Å
1270Y81.4Confident81.5Confident149 Ų14990 Ų9058%0.58443%0.43SS*.Hα-helixtrans-68.1-31.8175.9-63.6-41000112.9K1266 V1267 Y1274K1266-Y1270 HydrophobicContact CB-CE2 4.21Å; K1266-Y1270 WeakPolarHBondContact O-CD2 3.39Å; K1266-Y1270 VanDerWaalsContact O-CG 3.23Å; K1266-Y1270 PolarHBondContact O-N 3.32Å; V1267-Y1270 CarbonylContact O-C 3.58Å; V1267-Y1270 PolarHBondContact O-N 3.45Å; V1267-Y1270 VanDerWaalsContact O-N 3.09Å; Y1270-Y1274 VanDerWaalsContact O-CB 3.24Å; Y1270-Y1274 WeakPolarHBondContact O-CB 3.19Å; Y1270-Y1274 PolarHBondContact O-N 3.48Å
1271E83.6Confident81.3Confident115 Ų11588.8 Ų88.854%0.53743%0.427SS..Hα-helixtrans-69.7-43.6173.8-73.2171.5153.800111.2V1267 E1269 E1273 Y1274 D1275V1267-E1271 HydrophobicContact CG1-CG 4.47Å; V1267-E1271 WeakPolarHBondContact O-CG 3.24Å; V1267-E1271 PolarHBondContact O-N 2.87Å; E1269-E1271 VanDerWaalsContact C-N 3.35Å; E1271-E1273 PolarHBondContact O-N 3.31Å; E1271-Y1274 PolarHBondContact O-N 2.77Å; E1271-D1275 PolarHBondContact O-N 2.94Å
1272Q80.5Confident81.1Confident80 Ų8092.1 Ų92.137%0.37444%0.44SS..Hα-helixtrans-62.6-39.3172.3-73.616911.700112.4T1268 E1269 F1276 D1360 I1361 K1362T1268-Q1272 WeakPolarHBondContact O-CB 3.47Å; T1268-Q1272 VanDerWaalsContact O-CG 3.23Å; T1268-Q1272 WeakPolarHBondContact O-CG 3.45Å; T1268-Q1272 PolarHBondContact O-N 2.67Å; E1269-Q1272 PolarHBondContact O-N 2.81Å; Q1272-F1276 WeakPolarHBondContact O-CB 3.47Å; Q1272-F1276 PolarHBondContact O-N 3.04Å; Q1272-D1360 PolarHBondContact NE2-O 2.99Å; Q1272-I1361 PolarHBondContact NE2-O 3.39Å; Q1272-K1362 VanDerWaalsContact OE1-CD 3.31Å
1273E79.7Confident80.7Confident109 Ų10993.2 Ų93.251%0.50945%0.452SS..Hα-helixtrans-64.2-42.5171.5-76.2-174.6168.800111.9E1269 E1271 F1276 I1277E1269-E1273 WeakPolarHBondContact O-CG 3.32Å; E1269-E1273 PolarHBondContact O-N 2.84Å; E1271-E1273 PolarHBondContact O-N 3.31Å; E1273-F1276 PolarHBondContact O-N 2.85Å; E1273-I1277 WeakPolarHBondContact O-CB 3.39Å; E1273-I1277 WeakPolarHBondContact O-CD1 3.37Å; E1273-I1277 VanDerWaalsContact O-CG1 3.24Å; E1273-I1277 WeakPolarHBondContact O-CG1 3.5Å; E1273-I1277 PolarHBondContact O-N 3.41Å
1274Y81.5Confident80.5Confident167 Ų16793.9 Ų93.966%0.65545%0.451SS*.Hα-helixtrans-63.5-44.5178.2-175.5-92.4000111.8Y1270 E1271 I1277 K1278Y1270-Y1274 VanDerWaalsContact O-CB 3.24Å; Y1270-Y1274 WeakPolarHBondContact O-CB 3.19Å; Y1270-Y1274 PolarHBondContact O-N 3.48Å; E1271-Y1274 PolarHBondContact O-N 2.77Å; Y1274-I1277 PolarHBondContact O-N 3.48Å; Y1274-K1278 WeakPolarHBondContact O-CB 3.35Å; Y1274-K1278 PolarHBondContact O-N 3.23Å
1275D80.6Confident80.1Confident70 Ų7094.9 Ų94.937%0.37446%0.459SS..Hα-helixtrans-70.5-32.2177.8-111.310.8000112.5E1271 K1278 K1279E1271-D1275 PolarHBondContact O-N 2.94Å; D1275-K1278 PolarHBondContact O-N 3.22Å; D1275-K1278 IonicContact OD1-NZ 3.89Å; D1275-K1279 WeakPolarHBondContact O-CB 3.3Å; D1275-K1279 WeakPolarHBondContact O-CG 3.38Å; D1275-K1279 PolarHBondContact O-N 3.36Å
1276F80.6Confident79.8Confident142 Ų14298 Ų9862%0.62347%0.473SS*.Hα-helixtrans-63.8-46.1168.8-179.9-96.6000111.5Q1272 E1273 K1278 K1279 L1280Q1272-F1276 WeakPolarHBondContact O-CB 3.47Å; Q1272-F1276 PolarHBondContact O-N 3.04Å; E1273-F1276 PolarHBondContact O-N 2.85Å; F1276-K1278 VanDerWaalsContact C-N 3.33Å; F1276-K1278 PolarHBondContact O-N 3.32Å; F1276-K1279 PolarHBondContact O-N 3.35Å; F1276-L1280 VanDerWaalsContact O-CB 3.31Å; F1276-L1280 WeakPolarHBondContact O-CB 3.45Å; F1276-L1280 PolarHBondContact O-N 3.28Å
1277I80.8Confident79.3Confident94 Ų9496.4 Ų96.448%0.48247%0.465SS..Hα-helixtrans-61.5-42.3175.4-70.4163.9000110.5E1273 Y1274 L1280 V1281E1273-I1277 WeakPolarHBondContact O-CB 3.39Å; E1273-I1277 WeakPolarHBondContact O-CD1 3.37Å; E1273-I1277 VanDerWaalsContact O-CG1 3.24Å; E1273-I1277 WeakPolarHBondContact O-CG1 3.5Å; E1273-I1277 PolarHBondContact O-N 3.41Å; Y1274-I1277 PolarHBondContact O-N 3.48Å; I1277-L1280 WeakPolarHBondContact O-CB 3.3Å; I1277-L1280 PolarHBondContact O-N 3.3Å; I1277-V1281 HydrophobicContact CG2-CG2 4.41Å; I1277-V1281 WeakPolarHBondContact O-CB 3.27Å; I1277-V1281 VanDerWaalsContact O-CG2 3.3Å; I1277-V1281 WeakPolarHBondContact O-CG2 3.41Å; I1277-V1281 PolarHBondContact O-N 3.08Å
1278K82.2Confident78.7Confident95 Ų9598.3 Ų98.341%0.41347%0.469SS..Hα-helixtrans-61.8-50.3176.5-178.8-176.6164.2-159.80111.7Y1274 D1275 F1276 L1280 V1281 E1282Y1274-K1278 WeakPolarHBondContact O-CB 3.35Å; Y1274-K1278 PolarHBondContact O-N 3.23Å; D1275-K1278 PolarHBondContact O-N 3.22Å; D1275-K1278 IonicContact OD1-NZ 3.89Å; F1276-K1278 VanDerWaalsContact C-N 3.33Å; F1276-K1278 PolarHBondContact O-N 3.32Å; K1278-L1280 VanDerWaalsContact C-N 3.29Å; K1278-L1280 PolarHBondContact O-N 2.97Å; K1278-V1281 PolarHBondContact O-N 2.97Å; K1278-E1282 WeakPolarHBondContact CE-OE1 3.32Å; K1278-E1282 WeakPolarHBondContact CG-OE1 3.36Å; K1278-E1282 WeakPolarHBondContact O-CB 3.49Å; K1278-E1282 WeakPolarHBondContact O-CG 3.33Å; K1278-E1282 PolarHBondContact O-N 2.87Å
1279K81.4Confident78.3Confident139 Ų139101.1 Ų101.160%0.60449%0.489SS*.Hα-helixtrans-60.1-36.7174.6-75.3170.9178.6166.70112.2D1275 F1276 S1283D1275-K1279 WeakPolarHBondContact O-CB 3.3Å; D1275-K1279 WeakPolarHBondContact O-CG 3.38Å; D1275-K1279 PolarHBondContact O-N 3.36Å; F1276-K1279 PolarHBondContact O-N 3.35Å; K1279-S1283 WeakPolarHBondContact O-CB 3.4Å; K1279-S1283 PolarHBondContact O-N 2.91Å; K1279-S1283 PolarHBondContact O-OG 3.18Å
1280L80.1Confident77.9Confident94 Ų9499.6 Ų99.649%0.49248%0.483SS..Hα-helixtrans-66.8-43.3174.6-17467.3000111.9F1276 I1277 K1278 S1283 T1284F1276-L1280 VanDerWaalsContact O-CB 3.31Å; F1276-L1280 WeakPolarHBondContact O-CB 3.45Å; F1276-L1280 PolarHBondContact O-N 3.28Å; I1277-L1280 WeakPolarHBondContact O-CB 3.3Å; I1277-L1280 PolarHBondContact O-N 3.3Å; K1278-L1280 VanDerWaalsContact C-N 3.29Å; K1278-L1280 PolarHBondContact O-N 2.97Å; L1280-S1283 PolarHBondContact O-OG 3.26Å; L1280-S1283 VanDerWaalsContact O-OG 3.05Å; L1280-T1284 VanDerWaalsContact O-CB 3.29Å; L1280-T1284 WeakPolarHBondContact O-CB 3.5Å; L1280-T1284 PolarHBondContact O-N 3.45Å; L1280-T1284 PolarHBondContact O-OG1 3.47Å
1281V77.8Confident77.3Confident90 Ų9095.8 Ų95.855%0.54548%0.478SS..Hα-helixtrans-65.4-46.1175.71690000110.8I1277 K1278 T1284 L1285I1277-V1281 HydrophobicContact CG2-CG2 4.41Å; I1277-V1281 WeakPolarHBondContact O-CB 3.27Å; I1277-V1281 VanDerWaalsContact O-CG2 3.3Å; I1277-V1281 WeakPolarHBondContact O-CG2 3.41Å; I1277-V1281 PolarHBondContact O-N 3.08Å; K1278-V1281 PolarHBondContact O-N 2.97Å; V1281-T1284 PolarHBondContact O-N 3.27Å; V1281-L1285 WeakPolarHBondContact O-CB 3.33Å; V1281-L1285 PolarHBondContact O-N 3.38Å
1282E79Confident76.9Confident100 Ų10095 Ų9547%0.46748%0.477SS..Hα-helixtrans-63.8-44.1179.2-73.9173.1-179.200112.2K1278 T1284 L1285 M1286K1278-E1282 WeakPolarHBondContact CE-OE1 3.32Å; K1278-E1282 WeakPolarHBondContact CG-OE1 3.36Å; K1278-E1282 WeakPolarHBondContact O-CB 3.49Å; K1278-E1282 WeakPolarHBondContact O-CG 3.33Å; K1278-E1282 PolarHBondContact O-N 2.87Å; E1282-T1284 VanDerWaalsContact C-N 3.35Å; E1282-T1284 PolarHBondContact O-N 2.97Å; E1282-L1285 PolarHBondContact O-N 3.49Å; E1282-M1286 WeakPolarHBondContact O-CB 3.41Å; E1282-M1286 PolarHBondContact O-N 2.85Å
1283S74.2Confident76.7Confident58 Ų5898.7 Ų98.741%0.40649%0.492SS..Hα-helixtrans-66.1-35.7174.759.80000112.6K1279 L1280 M1286 K1287K1279-S1283 WeakPolarHBondContact O-CB 3.4Å; K1279-S1283 PolarHBondContact O-N 2.91Å; K1279-S1283 PolarHBondContact O-OG 3.18Å; L1280-S1283 PolarHBondContact O-OG 3.26Å; L1280-S1283 VanDerWaalsContact O-OG 3.05Å; S1283-M1286 PolarHBondContact O-N 3.34Å; S1283-K1287 WeakPolarHBondContact O-CG 3.46Å; S1283-K1287 PolarHBondContact O-N 3.49Å
1284T76.5Confident76.6Confident66 Ų6699 Ų9941%0.40549%0.493SS..Hα-helixtrans-66.5-41.9173.1-57.60000111.2L1280 V1281 E1282 K1287 Q1288L1280-T1284 VanDerWaalsContact O-CB 3.29Å; L1280-T1284 WeakPolarHBondContact O-CB 3.5Å; L1280-T1284 PolarHBondContact O-N 3.45Å; L1280-T1284 PolarHBondContact O-OG1 3.47Å; V1281-T1284 PolarHBondContact O-N 3.27Å; E1282-T1284 VanDerWaalsContact C-N 3.35Å; E1282-T1284 PolarHBondContact O-N 2.97Å; T1284-K1287 PolarHBondContact O-N 3.06Å; T1284-Q1288 WeakPolarHBondContact O-CB 3.46Å; T1284-Q1288 WeakPolarHBondContact O-CG 3.31Å; T1284-Q1288 PolarHBondContact O-N 3.18Å
1285L74.5Confident76.3Confident114 Ų11495.1 Ų95.160%0.59748%0.483SS*.Hα-helixtrans-67-38.4177-156.283.7000111.6V1281 E1282 Q1288 S1289V1281-L1285 WeakPolarHBondContact O-CB 3.33Å; V1281-L1285 PolarHBondContact O-N 3.38Å; E1282-L1285 PolarHBondContact O-N 3.49Å; L1285-Q1288 PolarHBondContact O-N 2.89Å; L1285-S1289 VanDerWaalsContact O-CB 3.3Å; L1285-S1289 WeakPolarHBondContact O-CB 3.48Å; L1285-S1289 PolarHBondContact O-N 3.36Å
1286M72.5Confident76.2Confident86 Ų8696.6 Ų96.642%0.42449%0.49SS..Hα-helixtrans-62.2-48.6171.5-96.1-69.5-166.500111.5E1282 S1283 Q1288 S1289 I1290 I1351E1282-M1286 WeakPolarHBondContact O-CB 3.41Å; E1282-M1286 PolarHBondContact O-N 2.85Å; S1283-M1286 PolarHBondContact O-N 3.34Å; M1286-Q1288 VanDerWaalsContact C-N 3.35Å; M1286-Q1288 PolarHBondContact O-N 3.39Å; M1286-S1289 WeakPolarHBondContact O-CB 3.46Å; M1286-S1289 PolarHBondContact O-N 2.82Å; M1286-S1289 VanDerWaalsContact O-N 3.11Å; M1286-I1290 WeakPolarHBondContact O-CD1 3.48Å; M1286-I1290 VanDerWaalsContact O-CG1 3.23Å; M1286-I1290 WeakPolarHBondContact O-CG1 3.35Å; M1286-I1290 PolarHBondContact O-N 2.95Å; M1286-I1351 HydrophobicContact CE-CG2 4.08Å; M1286-I1351 HydrophobicContact SD-CG2 4.23Å
1287K71.7Confident76.2Confident92 Ų9297.2 Ų97.240%0.449%0.493SS..Hα-helixtrans-59.1-45.2175.4-75.8-170.8175.9-158.40111.6S1283 T1284 S1289 I1290 C1291 T1347 S1348S1283-K1287 WeakPolarHBondContact O-CG 3.46Å; S1283-K1287 PolarHBondContact O-N 3.49Å; T1284-K1287 PolarHBondContact O-N 3.06Å; K1287-S1289 VanDerWaalsContact C-N 3.34Å; K1287-S1289 PolarHBondContact O-N 3.34Å; K1287-I1290 PolarHBondContact O-N 3.35Å; K1287-C1291 WeakPolarHBondContact O-CB 3.39Å; K1287-C1291 PolarHBondContact O-N 2.89Å; K1287-C1291 PolarHBondContact O-SG 2.85Å; K1287-C1291 VanDerWaalsContact O-SG 3.41Å; K1287-T1347 PolarHBondContact NZ-O 2.84Å; K1287-S1348 PolarHBondContact NZ-O 3.49Å; K1287-S1348 PolarHBondContact NZ-OG 3.2Å
1288Q71.8Confident76Confident113 Ų11397 Ų9753%0.52849%0.49SS..Hα-helixtrans-61.8-39.1173.5-74-177.10.700112.3T1284 L1285 M1286 L1292T1284-Q1288 WeakPolarHBondContact O-CB 3.46Å; T1284-Q1288 WeakPolarHBondContact O-CG 3.31Å; T1284-Q1288 PolarHBondContact O-N 3.18Å; L1285-Q1288 PolarHBondContact O-N 2.89Å; M1286-Q1288 VanDerWaalsContact C-N 3.35Å; M1286-Q1288 PolarHBondContact O-N 3.39Å; Q1288-L1292 WeakPolarHBondContact O-CB 3.41Å; Q1288-L1292 WeakPolarHBondContact O-CD1 3.5Å; Q1288-L1292 WeakPolarHBondContact O-CG 3.46Å; Q1288-L1292 PolarHBondContact O-N 3.25Å
1289S73.3Confident75.7Confident65 Ų6597.8 Ų97.846%0.45550%0.498SS..Hα-helixtrans-65.2-38.3175.4178.20000112.7L1285 M1286 K1287 K1293L1285-S1289 VanDerWaalsContact O-CB 3.3Å; L1285-S1289 WeakPolarHBondContact O-CB 3.48Å; L1285-S1289 PolarHBondContact O-N 3.36Å; M1286-S1289 WeakPolarHBondContact O-CB 3.46Å; M1286-S1289 PolarHBondContact O-N 2.82Å; M1286-S1289 VanDerWaalsContact O-N 3.11Å; K1287-S1289 VanDerWaalsContact C-N 3.34Å; K1287-S1289 PolarHBondContact O-N 3.34Å; S1289-K1293 WeakPolarHBondContact O-CB 3.35Å; S1289-K1293 PolarHBondContact O-N 3.32Å
1290I71.8Confident75.5Confident53 Ų5394.1 Ų94.127%0.27249%0.489SS..Hα-helixtrans-71.3-45.5178.5-62.5153.9000109.7M1286 K1287 K1293 H1294 I1351M1286-I1290 WeakPolarHBondContact O-CD1 3.48Å; M1286-I1290 VanDerWaalsContact O-CG1 3.23Å; M1286-I1290 WeakPolarHBondContact O-CG1 3.35Å; M1286-I1290 PolarHBondContact O-N 2.95Å; K1287-I1290 PolarHBondContact O-N 3.35Å; I1290-K1293 PolarHBondContact O-N 2.9Å; I1290-H1294 WeakPolarHBondContact O-CB 3.24Å; I1290-H1294 PolarHBondContact O-N 2.95Å; I1290-I1351 HydrophobicContact CD1-CD1 3.55Å; I1290-I1351 HydrophobicContact CG1-CD1 3.97Å
1291C70Confident75.4Confident70 Ų7093.2 Ų93.247%0.47349%0.487SS..Hα-helixtrans-59.6-54.7173.1-70.70000110.6K1287 K1293 H1294 D1295K1287-C1291 WeakPolarHBondContact O-CB 3.39Å; K1287-C1291 PolarHBondContact O-N 2.89Å; K1287-C1291 PolarHBondContact O-SG 2.85Å; K1287-C1291 VanDerWaalsContact O-SG 3.41Å; C1291-K1293 PolarHBondContact O-N 3.28Å; C1291-K1293 VanDerWaalsContact O-N 3.15Å; C1291-H1294 CarbonylContact O-C 3.29Å; C1291-H1294 WeakPolarHBondContact O-CA 3.41Å; C1291-H1294 WeakPolarHBondContact O-CB 3.4Å; C1291-H1294 PolarHBondContact O-N 3.37Å; C1291-D1295 WeakPolarHBondContact O-CB 3.42Å; C1291-D1295 PolarHBondContact O-N 2.8Å
1292L73.6Confident75.1Confident99 Ų9993 Ų9352%0.51848%0.483SS..Hα-helixtrans-56.6-34.1176-76.1166.4000113Q1288 I1296Q1288-L1292 WeakPolarHBondContact O-CB 3.41Å; Q1288-L1292 WeakPolarHBondContact O-CD1 3.5Å; Q1288-L1292 WeakPolarHBondContact O-CG 3.46Å; Q1288-L1292 PolarHBondContact O-N 3.25Å; L1292-I1296 WeakPolarHBondContact O-CB 3.18Å; L1292-I1296 WeakPolarHBondContact O-CD1 3.44Å; L1292-I1296 WeakPolarHBondContact O-CG1 3.43Å; L1292-I1296 PolarHBondContact O-N 3.33Å
1293K77.9Confident74.9Confident157 Ų15794.9 Ų94.968%0.68349%0.49SS*.Hα-helixtrans-75.8-35.9176.1-173176.1-176.8177.20112.4S1289 I1290 C1291 K1297S1289-K1293 WeakPolarHBondContact O-CB 3.35Å; S1289-K1293 PolarHBondContact O-N 3.32Å; I1290-K1293 PolarHBondContact O-N 2.9Å; C1291-K1293 PolarHBondContact O-N 3.28Å; C1291-K1293 VanDerWaalsContact O-N 3.15Å; K1293-K1297 WeakPolarHBondContact O-CB 3.3Å; K1293-K1297 PolarHBondContact O-N 2.82Å
1294H77.9Confident74.8Confident115 Ų11596.1 Ų96.153%0.53249%0.492SS..Hα-helixtrans-64.5-51.7170-174.3-78.9000109.6I1290 C1291 I1296 K1297 E1298I1290-H1294 WeakPolarHBondContact O-CB 3.24Å; I1290-H1294 PolarHBondContact O-N 2.95Å; C1291-H1294 CarbonylContact O-C 3.29Å; C1291-H1294 WeakPolarHBondContact O-CA 3.41Å; C1291-H1294 WeakPolarHBondContact O-CB 3.4Å; C1291-H1294 PolarHBondContact O-N 3.37Å; H1294-I1296 PolarHBondContact O-N 2.8Å; H1294-K1297 CarbonylContact O-C 3.5Å; H1294-K1297 PolarHBondContact O-N 3.09Å; H1294-E1298 IonicContact CE1-OE2 3.94Å; H1294-E1298 PolarHBondContact CE1-OE2 3.26Å; H1294-E1298 VanDerWaalsContact CE1-OE2 3.25Å; H1294-E1298 IonicContact ND1-OE2 2.82Å; H1294-E1298 VanDerWaalsContact O-CB 3.3Å; H1294-E1298 WeakPolarHBondContact O-CB 3.43Å; H1294-E1298 PolarHBondContact O-N 2.83Å
1295D75.2Confident74.6Confident86 Ų8697.1 Ų97.146%0.4650%0.498SS..Hα-helixtrans-59.7-43.9178.3-61.4-15.3000111.3C1291 K1297 L1299C1291-D1295 WeakPolarHBondContact O-CB 3.42Å; C1291-D1295 PolarHBondContact O-N 2.8Å; D1295-K1297 VanDerWaalsContact C-N 3.34Å; D1295-K1297 PolarHBondContact O-N 3.43Å; D1295-L1299 WeakPolarHBondContact O-CA 3.34Å; D1295-L1299 WeakPolarHBondContact O-CB 3.45Å; D1295-L1299 PolarHBondContact O-N 2.87Å
1296I77.9Confident74Confident100 Ų10098.8 Ų98.851%0.51350%0.497SS..Hα-helixtrans-65.6-37.6174.1-74.1164000110.9L1292 H1294 C1300L1292-I1296 WeakPolarHBondContact O-CB 3.18Å; L1292-I1296 WeakPolarHBondContact O-CD1 3.44Å; L1292-I1296 WeakPolarHBondContact O-CG1 3.43Å; L1292-I1296 PolarHBondContact O-N 3.33Å; H1294-I1296 PolarHBondContact O-N 2.8Å; I1296-C1300 WeakPolarHBondContact O-CB 3.47Å; I1296-C1300 PolarHBondContact O-N 3.15Å; I1296-C1300 PolarHBondContact O-SG 3.28Å
1297K79.4Confident73.9Confident156 Ų156101.1 Ų101.168%0.67851%0.505SS*.Hα-helixtrans-72.3-40.7179.4-168.2179.5-175.2-174.10111.4K1293 H1294 D1295 C1300 T1301K1293-K1297 WeakPolarHBondContact O-CB 3.3Å; K1293-K1297 PolarHBondContact O-N 2.82Å; H1294-K1297 CarbonylContact O-C 3.5Å; H1294-K1297 PolarHBondContact O-N 3.09Å; D1295-K1297 VanDerWaalsContact C-N 3.34Å; D1295-K1297 PolarHBondContact O-N 3.43Å; K1297-C1300 CarbonylContact O-C 3.57Å; K1297-C1300 PolarHBondContact O-N 2.98Å; K1297-T1301 PolarHBondContact O-N 3.24Å; K1297-T1301 PolarHBondContact O-OG1 2.89Å; K1297-T1301 VanDerWaalsContact O-OG1 3.09Å
1298E77.6Confident73.4Confident89 Ų89102 Ų10242%0.41651%0.514SS..Hα-helixtrans-64.4-45.9172.2-177.9172.1166.100110.4H1294 C1300 T1301 N1302H1294-E1298 IonicContact CE1-OE2 3.94Å; H1294-E1298 PolarHBondContact CE1-OE2 3.26Å; H1294-E1298 VanDerWaalsContact CE1-OE2 3.25Å; H1294-E1298 IonicContact ND1-OE2 2.82Å; H1294-E1298 VanDerWaalsContact O-CB 3.3Å; H1294-E1298 WeakPolarHBondContact O-CB 3.43Å; H1294-E1298 PolarHBondContact O-N 2.83Å; E1298-C1300 VanDerWaalsContact C-N 3.29Å; E1298-C1300 PolarHBondContact O-N 3.42Å; E1298-T1301 VanDerWaalsContact CA-OG1 3.27Å; E1298-T1301 WeakPolarHBondContact CA-OG1 3.49Å; E1298-T1301 PolarHBondContact O-N 3.35Å; E1298-T1301 PolarHBondContact O-OG1 3.26Å; E1298-N1302 WeakPolarHBondContact O-CB 3.25Å; E1298-N1302 PolarHBondContact O-N 3.45Å; E1298-N1302 PolarHBondContact O-ND2 2.91Å
1299L74.9Confident72.6Confident111 Ų11199.9 Ų99.958%0.58151%0.512SS*.Hα-helixtrans-60.4-39.3172.3-164.192.3000110D1295 N1302 F1303D1295-L1299 WeakPolarHBondContact O-CA 3.34Å; D1295-L1299 WeakPolarHBondContact O-CB 3.45Å; D1295-L1299 PolarHBondContact O-N 2.87Å; L1299-N1302 CarbonylContact O-C 3.6Å; L1299-N1302 PolarHBondContact O-N 3.28Å; L1299-F1303 WeakPolarHBondContact O-CA 3.44Å; L1299-F1303 WeakPolarHBondContact O-CB 3.2Å; L1299-F1303 PolarHBondContact O-N 3.05Å
1300C77.8Confident71.4Confident62 Ų62101.8 Ų101.842%0.41952%0.516SS..Hα-helixtrans-71.8-35.9175.8-75.60000112.9I1296 K1297 E1298 N1304I1296-C1300 WeakPolarHBondContact O-CB 3.47Å; I1296-C1300 PolarHBondContact O-N 3.15Å; I1296-C1300 PolarHBondContact O-SG 3.28Å; K1297-C1300 CarbonylContact O-C 3.57Å; K1297-C1300 PolarHBondContact O-N 2.98Å; E1298-C1300 VanDerWaalsContact C-N 3.29Å; E1298-C1300 PolarHBondContact O-N 3.42Å; C1300-N1304 VanDerWaalsContact O-CB 3.31Å; C1300-N1304 WeakPolarHBondContact O-CB 3.39Å; C1300-N1304 PolarHBondContact O-N 3.48Å; C1300-N1304 PolarHBondContact O-ND2 2.78Å
1301T77.4Confident70.1Confident75 Ų75102.7 Ų102.746%0.4654%0.539SS..Hα-helixtrans-68.3-41.117041.40000110.8K1297 E1298 F1303 N1304 V1305K1297-T1301 PolarHBondContact O-N 3.24Å; K1297-T1301 PolarHBondContact O-OG1 2.89Å; K1297-T1301 VanDerWaalsContact O-OG1 3.09Å; E1298-T1301 VanDerWaalsContact CA-OG1 3.27Å; E1298-T1301 WeakPolarHBondContact CA-OG1 3.49Å; E1298-T1301 PolarHBondContact O-N 3.35Å; E1298-T1301 PolarHBondContact O-OG1 3.26Å; T1301-F1303 VanDerWaalsContact C-N 3.34Å; T1301-F1303 PolarHBondContact O-N 3.28Å; T1301-N1304 PolarHBondContact O-N 3.34Å; T1301-V1305 WeakPolarHBondContact O-CB 3.21Å; T1301-V1305 VanDerWaalsContact O-CG2 3.26Å; T1301-V1305 WeakPolarHBondContact O-CG2 3.14Å; T1301-V1305 PolarHBondContact O-N 3.46Å
1302N73.1Confident68.9Low85 Ų85103.8 Ų103.846%0.45555%0.548SS..Hα-helixtrans-66.8-34.7175.1-71-17.1000110.9E1298 L1299 Y1306E1298-N1302 WeakPolarHBondContact O-CB 3.25Å; E1298-N1302 PolarHBondContact O-N 3.45Å; E1298-N1302 PolarHBondContact O-ND2 2.91Å; L1299-N1302 CarbonylContact O-C 3.6Å; L1299-N1302 PolarHBondContact O-N 3.28Å; N1302-Y1306 WeakPolarHBondContact O-CA 3.11Å; N1302-Y1306 WeakPolarHBondContact O-CB 3.43Å; N1302-Y1306 PolarHBondContact O-N 2.84Å
1303F73.6Confident67.1Low140 Ų140101.7 Ų101.761%0.61454%0.541SS*.Hα-helixtrans-76.5-30.7175.8-148.7-83.1000111.4L1299 T1301 K1307L1299-F1303 WeakPolarHBondContact O-CA 3.44Å; L1299-F1303 WeakPolarHBondContact O-CB 3.2Å; L1299-F1303 PolarHBondContact O-N 3.05Å; T1301-F1303 VanDerWaalsContact C-N 3.34Å; T1301-F1303 PolarHBondContact O-N 3.28Å; F1303-K1307 WeakPolarHBondContact O-CA 3.28Å; F1303-K1307 WeakPolarHBondContact O-CB 3.43Å; F1303-K1307 PolarHBondContact O-N 2.8Å
1304N71.7Confident65.1Low85 Ų85103.8 Ų103.846%0.45555%0.553SS.*Hα-helixtrans-74.7-40.1170.9-80.2-48.3000111.8C1300 T1301 K1307 N1308C1300-N1304 VanDerWaalsContact O-CB 3.31Å; C1300-N1304 WeakPolarHBondContact O-CB 3.39Å; C1300-N1304 PolarHBondContact O-N 3.48Å; C1300-N1304 PolarHBondContact O-ND2 2.78Å; T1301-N1304 PolarHBondContact O-N 3.34Å; N1304-K1307 PolarHBondContact O-N 3.48Å; N1304-N1308 VanDerWaalsContact O-CB 3.27Å; N1304-N1308 WeakPolarHBondContact O-CB 3.27Å; N1304-N1308 PolarHBondContact O-N 2.83Å; N1304-N1308 PolarHBondContact O-ND2 3.15Å; N1304-N1308 PolarHBondContact O-OD1 2.88Å
1305V72Confident62.8Low87 Ų87102.3 Ų102.353%0.52756%0.561SS.*Hα-helixtrans-62-46.8169.6168.40000109.6T1301 N1308 S1309T1301-V1305 WeakPolarHBondContact O-CB 3.21Å; T1301-V1305 VanDerWaalsContact O-CG2 3.26Å; T1301-V1305 WeakPolarHBondContact O-CG2 3.14Å; T1301-V1305 PolarHBondContact O-N 3.46Å; V1305-N1308 PolarHBondContact O-N 3.42Å; V1305-S1309 VanDerWaalsContact O-CB 3.29Å; V1305-S1309 WeakPolarHBondContact O-CB 3.27Å; V1305-S1309 PolarHBondContact O-N 3.4Å; V1305-S1309 PolarHBondContact O-OG 2.65Å
1306Y62.5Low60.7Low149 Ų149102.1 Ų102.158%0.58457%0.571SS**Hα-helixtrans-62.2-44.6176.2-162.9-96.2000110.7N1302 N1308 S1309 L1310N1302-Y1306 WeakPolarHBondContact O-CA 3.11Å; N1302-Y1306 WeakPolarHBondContact O-CB 3.43Å; N1302-Y1306 PolarHBondContact O-N 2.84Å; Y1306-N1308 PolarHBondContact O-N 2.78Å; Y1306-S1309 CarbonylContact O-C 3.17Å; Y1306-S1309 PolarHBondContact O-N 3.38Å; Y1306-L1310 HydrophobicContact CD1-CD2 4.35Å; Y1306-L1310 HydrophobicContact CE1-CD1 3.89Å; Y1306-L1310 HydrophobicContact CE1-CD2 4.02Å; Y1306-L1310 HydrophobicContact CE1-CG 4.43Å; Y1306-L1310 WeakPolarHBondContact O-CB 3.3Å; Y1306-L1310 PolarHBondContact O-N 3.35Å
1307K69.9Low58.5Low134 Ų134102 Ų10258%0.58358%0.579SS**Hα-helixtrans-62.5-40.1175.4-178.9179-179.9-178.40112.7F1303 N1304 L1310 G1311F1303-K1307 WeakPolarHBondContact O-CA 3.28Å; F1303-K1307 WeakPolarHBondContact O-CB 3.43Å; F1303-K1307 PolarHBondContact O-N 2.8Å; N1304-K1307 PolarHBondContact O-N 3.48Å; K1307-L1310 PolarHBondContact O-N 3Å; K1307-G1311 PolarHBondContact O-N 2.77Å
1308N62Low56.3Low110 Ų110101.1 Ų101.159%0.58858%0.582SS**Hα-helixtrans-69.8-34.2175.2-66.9-13.3000111.6N1304 V1305 Y1306 S1312N1304-N1308 VanDerWaalsContact O-CB 3.27Å; N1304-N1308 WeakPolarHBondContact O-CB 3.27Å; N1304-N1308 PolarHBondContact O-N 2.83Å; N1304-N1308 PolarHBondContact O-ND2 3.15Å; N1304-N1308 PolarHBondContact O-OD1 2.88Å; V1305-N1308 PolarHBondContact O-N 3.42Å; Y1306-N1308 PolarHBondContact O-N 2.78Å; N1308-S1312 PolarHBondContact O-OG 2.71Å
1309S54.6Low54.2Low69 Ų69104.5 Ų104.548%0.48360%0.595SS.*Hα-helixtrans-75.2-34.2173.8-62.30000113V1305 Y1306 S1312 S1313V1305-S1309 VanDerWaalsContact O-CB 3.29Å; V1305-S1309 WeakPolarHBondContact O-CB 3.27Å; V1305-S1309 PolarHBondContact O-N 3.4Å; V1305-S1309 PolarHBondContact O-OG 2.65Å; Y1306-S1309 CarbonylContact O-C 3.17Å; Y1306-S1309 PolarHBondContact O-N 3.38Å; S1309-S1312 CarbonylContact O-C 3.58Å; S1309-S1312 WeakPolarHBondContact O-CA 3.21Å; S1309-S1312 WeakPolarHBondContact O-CB 3.49Å; S1309-S1312 PolarHBondContact O-N 3.38Å; S1309-S1313 PolarHBondContact O-N 3.36Å
1310L48.2Very low52.1Low105 Ų105106.5 Ų106.555%0.5560%0.6SS.*Hα-helixtrans-79.9-26179.5-15375.5000111.4Y1306 K1307 S1312Y1306-L1310 HydrophobicContact CD1-CD2 4.35Å; Y1306-L1310 HydrophobicContact CE1-CD1 3.89Å; Y1306-L1310 HydrophobicContact CE1-CD2 4.02Å; Y1306-L1310 HydrophobicContact CE1-CG 4.43Å; Y1306-L1310 WeakPolarHBondContact O-CB 3.3Å; Y1306-L1310 PolarHBondContact O-N 3.35Å; K1307-L1310 PolarHBondContact O-N 3Å; L1310-S1312 PolarHBondContact O-N 2.83Å
1311G45.5Very low50.1Low72 Ų72110.7 Ų110.774%0.74261%0.613SS**THydrogen-bonded Turntrans-71.4-1.2161.600000114.1K1307K1307-G1311 PolarHBondContact O-N 2.77Å
1312S43.9Very low47.9Very low94 Ų94114.4 Ų114.466%0.65764%0.636SS**THydrogen-bonded Turntrans-122.610.2-178.6-53.40000113.5N1308 S1309 L1310N1308-S1312 PolarHBondContact O-OG 2.71Å; S1309-S1312 CarbonylContact O-C 3.58Å; S1309-S1312 WeakPolarHBondContact O-CA 3.21Å; S1309-S1312 WeakPolarHBondContact O-CB 3.49Å; S1309-S1312 PolarHBondContact O-N 3.38Å; L1310-S1312 PolarHBondContact O-N 2.83Å
1313S35.2Very low45.7Very low55 Ų55115.6 Ų115.639%0.38564%0.638SS.*  trans-156.7118.4166.4-165.60000110.5S1309 A1315S1309-S1313 PolarHBondContact O-N 3.36Å; S1313-A1315 VanDerWaalsContact OG-C 3.24Å; S1313-A1315 PolarHBondContact OG-O 3.42Å; S1313-A1315 VanDerWaalsContact OG-O 3.09Å
1314E37Very low43.5Very low201 Ų201113.2 Ų113.294%0.93964%0.639SS**SBendcis6.991.8-6.3-62.4-148.210200117.3
1315A29.4Very low41.3Very low83 Ų83114.3 Ų114.369%0.68665%0.649SS**SBendcis-144.4173.411.400000113.2S1313S1313-A1315 VanDerWaalsContact OG-C 3.24Å; S1313-A1315 PolarHBondContact OG-O 3.42Å; S1313-A1315 VanDerWaalsContact OG-O 3.09Å
1316A31.3Very low39.1Very low83 Ų83117.5 Ų117.569%0.68666%0.658SS**  trans63.392.2178.400000114.3
1317S32.6Very low37.3Very low96 Ų96115.4 Ų115.467%0.67166%0.661SS**  71.6110.182.7-78.80000113.8
1318N32.8Very low35.3Very low138 Ų138117.5 Ų117.574%0.73867%0.673SS**  89127.8120-80.9-28.2000119.6
1319K33.6Very low33.9Very low161 Ų161123.3 Ų123.370%0.769%0.686SS**  trans80.2102.5138.2-72.3-168.5169.2-168.20117.2
1320F29.7Very low32.9Very low153 Ų153126.3 Ų126.367%0.67170%0.697SS**  69156.8123.9-62.5-58.3000115.4H1323F1320-H1323 AromaticContact CD1-NE2 3.43Å; F1320-H1323 WeakPolarHBondContact CD1-NE2 3.32Å; F1320-H1323 AromaticContact CE1-NE2 3.73Å
1321E36Very low32.2Very low150 Ų150129.3 Ų129.370%0.70171%0.713SS**  cis-155.177.127.8-149.3144.9-154.800111.1H1323E1321-H1323 HydrophobicContact CG-CB 4.18Å; E1321-H1323 WeakPolarHBondContact CG-CD2 3.48Å; E1321-H1323 PolarHBondContact O-N 3.19Å
1322T30.9Very low31.6Very low152 Ų152129.4 Ų129.493%0.93372%0.715SS**  trans-79.852172.741.90000112
1323H28.5Very low31.1Very low111 Ų111134 Ų13451%0.51472%0.723SS.*  trans-83.6134.7-174-84.1-109.4000111F1320 E1321F1320-H1323 AromaticContact CD1-NE2 3.43Å; F1320-H1323 WeakPolarHBondContact CD1-NE2 3.32Å; F1320-H1323 AromaticContact CE1-NE2 3.73Å; E1321-H1323 HydrophobicContact CG-CB 4.18Å; E1321-H1323 WeakPolarHBondContact CG-CD2 3.48Å; E1321-H1323 PolarHBondContact O-N 3.19Å
1324S26.2Very low30.9Very low89 Ų89139.9 Ų139.962%0.62275%0.749SS**  71.2132.581.4-1420000110.4
1325T26.4Very low30.8Very low108 Ų108134.6 Ų134.666%0.66373%0.731SS**  cis-174.9171.85.84.10000109
1326Q25Very low30.7Very low155 Ų155137.4 Ų137.472%0.72473%0.733SS**  trans80.3150147.8-126.667.89.500121.4
1327T23.9Very low30.5Very low105 Ų105141.6 Ų141.664%0.64474%0.738SS**  trans66.3110.3157.647.60000117.3
1328E27.9Very low30.3Very low177 Ų177145.7 Ų145.783%0.82775%0.746SS**  85.6111.263.1-76.7179.2156.500113.9
1329R33.4Very low30.1Very low233 Ų233145.9 Ų145.988%0.87975%0.753SS**  trans63.2139.1164.5-68-174.2177.1133.7-1.1120.6
1330D33.8Very low30.2Very low132 Ų132143.3 Ų143.371%0.70676%0.755SS**  trans64.9146149.5-58.6-33.7000123.1
1331N33.8Very low30.2Very low167 Ų167146 Ų14689%0.89377%0.767SS**  trans74.7149.4168.7-46.5-67.5000117
1332G33.7Very low30.1Very low75 Ų75146.5 Ų146.577%0.77377%0.773SS**  cis154.6161-4.100000111.2
1333K32.3Very low30.2Very low189 Ų189146.1 Ų146.182%0.82277%0.765SS**  cis-173.7111.1-10.3-176.6-165.4176.1-175.40110.6V1335K1333-V1335 HydrophobicContact CD-CG2 4.34Å; K1333-V1335 HydrophobicContact CG-CG2 3.88Å
1334L30.4Very low30.3Very low179 Ų179147.4 Ų147.494%0.93777%0.774SS**  trans-149.966.6177.9-114.9162.4000110.8
1335V35.1Very low30.7Very low91 Ų91148 Ų14855%0.55278%0.776SS**  89.5111.474.5175.30000113.8K1333K1333-V1335 HydrophobicContact CD-CG2 4.34Å; K1333-V1335 HydrophobicContact CG-CG2 3.88Å
1336I26.8Very low30.9Very low142 Ų142149.3 Ų149.373%0.72878%0.779SS**  trans71.1130.9169.9-58.4160.4000115.5
1337E27.8Very low31.1Very low170 Ų170147.6 Ų147.679%0.79478%0.779SS**  cis-173.4145.6-28.1-109.3154.9-151.500106.9
1338Q28.4Very low31.3Very low182 Ų182146 Ų14685%0.8577%0.772SS**  trans103.6125.1172.1-59.2-173.9-13.400121.5
1339T29.8Very low31.7Very low142 Ų142142.7 Ų142.787%0.87177%0.769SS**  trans72.7139.5153.755.30000120.9
1340S34.4Very low31.6Very low108 Ų108137.9 Ų137.976%0.75576%0.76SS**  trans-132.4128.5-140.752.90000115.7
1341F29Very low31.4Very low208 Ų208136.2 Ų136.291%0.91275%0.75SS**  trans-148.6159.8167.3-95.3-88000110.9
1342I34.6Very low31.4Very low161 Ų161134.3 Ų134.383%0.82674%0.74SS**  trans83.9124.4173.5-51.6174.6000117.2
1343N33.2Very low31.1Very low144 Ų144137.8 Ų137.877%0.7774%0.74SS**  trans-156.8117.6149.8-105.8-19.2000110.3
1344I30.6Very low30.9Very low139 Ų139135.7 Ų135.771%0.71374%0.739SS**  trans60.6133.4133.8-55.6166.8000119.5
1345P34.9Very low30.9Very low101 Ų101134.3 Ų134.366%0.65673%0.73SS**  cis-143.1-164.2-27.642.4-21000115.1
1346D29.8Very low30.8Very low135 Ų135136.9 Ų136.972%0.72275%0.746SS**  trans74.779.8150.6-60.6-19.1000124.4
1347T30Very low30.9Very low119 Ų119133.7 Ų133.773%0.7375%0.748SS**  48.5148.4119.7710000124.8K1287K1287-T1347 PolarHBondContact NZ-O 2.84Å
1348S27.7Very low31.2Very low71 Ų71135.2 Ų135.250%0.49776%0.755SS.*  trans81.9101.3155.266.30000119.3K1287K1287-S1348 PolarHBondContact NZ-O 3.49Å; K1287-S1348 PolarHBondContact NZ-OG 3.2Å
1349S36.7Very low31.3Very low108 Ų108135.5 Ų135.576%0.75576%0.756SS**  trans-74.6148.8158.746.30000112.8
1350L31.5Very low31.4Very low133 Ų133134.1 Ų134.170%0.69674%0.744SS**  trans146143.5148.8-83.4159.3000112.5
1351I29.3Very low31.4Very low96 Ų96131.8 Ų131.849%0.49272%0.722SS.*  trans90.8144.8156.3-71.6154.7000119.3M1286 I1290M1286-I1351 HydrophobicContact CE-CG2 4.08Å; M1286-I1351 HydrophobicContact SD-CG2 4.23Å; I1290-I1351 HydrophobicContact CD1-CD1 3.55Å; I1290-I1351 HydrophobicContact CG1-CD1 3.97Å
1352N33.9Very low31.9Very low128 Ų128126.7 Ų126.768%0.68470%0.7SS**  trans74.7119.4-173.5-59.7-1.8000114.4
1353D27.9Very low31.6Very low147 Ų147122 Ų12279%0.78668%0.676SS**  cis60.7113.312.4-70-10.3000117
1354D28.2Very low31.8Very low146 Ų146121.3 Ų121.378%0.78167%0.666SS**  trans75.8129.5144.2-74.6-12.1000124.8
1355I29.9Very low31.9Very low149 Ų149120.7 Ų120.776%0.76466%0.664SS**  trans90.7104149.8-60.9152.1000119.8
1356V32.3Very low31.7Very low145 Ų145119 Ų11988%0.87965%0.654SS**  trans35.4125.8130.5-170.50000119.8
1357G29.4Very low31.6Very low75 Ų75120.3 Ų120.377%0.77365%0.654SS**  trans150.893.1158.600000112.1
1358E33.5Very low31.5Very low203 Ų203118.2 Ų118.295%0.94965%0.649SS**  trans-139.387175.3-155.2164.3-130.900109.4
1359E30.6Very low31.5Very low187 Ų187122.2 Ų122.287%0.87466%0.664SS**  trans-130.6152.5167.2-122.6172.8-174.200107.9
1360D32.3Very low31.2Very low113 Ų113125.7 Ų125.760%0.60467%0.669SS**  trans85.6101.7165.2-72-10000124.9Q1272Q1272-D1360 PolarHBondContact NE2-O 2.99Å
1361I35.2Very low31Very low60 Ų60127.2 Ų127.231%0.30868%0.676SS.*  72.2124123.9-52.4159.3000120.5T1268 Q1272 L1363T1268-I1361 HydrophobicContact CG2-CB 3.63Å; T1268-I1361 HydrophobicContact CG2-CD1 3.91Å; T1268-I1361 HydrophobicContact CG2-CG1 4.39Å; T1268-I1361 HydrophobicContact CG2-CG2 3.62Å; Q1272-I1361 PolarHBondContact NE2-O 3.39Å; I1361-L1363 HydrophobicContact CG2-CB 3.84Å; I1361-L1363 HydrophobicContact CG2-CD1 3.42Å; I1361-L1363 VanDerWaalsContact CG2-CD1 3.42Å; I1361-L1363 HydrophobicContact CG2-CG 3.66Å
1362K37.8Very low31Very low101 Ų101126 Ų12644%0.43969%0.687SS.*  trans-170.566.1148.3-104.9-179.6-1691770109E1269 Q1272E1269-K1362 VanDerWaalsContact CB-CE 3.41Å; E1269-K1362 VanDerWaalsContact CG-NZ 3.34Å; E1269-K1362 VanDerWaalsContact OE1-CE 3.23Å; E1269-K1362 WeakPolarHBondContact OE1-CE 3.44Å; E1269-K1362 IonicContact OE1-NZ 3.15Å; E1269-K1362 PolarHBondContact OE1-NZ 3.13Å; Q1272-K1362 VanDerWaalsContact OE1-CD 3.31Å
1363L30.1Very low30.7Very low62 Ų62124.9 Ų124.933%0.32569%0.689SS.*  72.1139.683.7-115.4171.1000117.1C1261 Q1264 S1265 I1361C1261-L1363 HydrophobicContact CB-CD2 3.86Å; Q1264-L1363 VanDerWaalsContact C-CD1 3.45Å; Q1264-L1363 HydrophobicContact CB-CD1 3.65Å; Q1264-L1363 HydrophobicContact CG-CD1 3.75Å; S1265-L1363 WeakPolarHBondContact OG-CB 3.5Å; I1361-L1363 HydrophobicContact CG2-CB 3.84Å; I1361-L1363 HydrophobicContact CG2-CD1 3.42Å; I1361-L1363 VanDerWaalsContact CG2-CD1 3.42Å; I1361-L1363 HydrophobicContact CG2-CG 3.66Å
1364K36.6Very low30.6Very low129 Ų129128.7 Ų128.756%0.56169%0.694SS**  trans-60.5156.8-169.3-74.8172172.1173.50115.1
1365N31.6Very low30.7Very low126 Ų126131.5 Ų131.567%0.67470%0.699SS**  trans-140.9111.6137.6-102.9-39000109.7K1262K1262-N1365 WeakPolarHBondContact CE-OD1 3.49Å; K1262-N1365 WeakPolarHBondContact CG-OD1 3.34Å
1366C31.9Very low30.5Very low65 Ų65131 Ų13144%0.43970%0.703SS.*  trans-84.6157.8161.8-63.60000109.3E1258E1258-C1366 HydrophobicContact CG-CB 4.37Å; E1258-C1366 WeakPolarHBondContact OE1-CB 3.47Å
1367F27.2Very low30.5Very low164 Ų164131.3 Ų131.372%0.71970%0.699SS**  trans-175108.4156.1-85.1-64000104.1K1262K1262-F1367 VanDerWaalsContact NZ-CZ 3.27Å
1368A27.6Very low30.4Very low75 Ų75133.9 Ų133.962%0.6270%0.7SS**  57.4122.381.700000111.3
1369N27.1Very low30.4Very low154 Ų154130.8 Ų130.882%0.82469%0.69SS**  cis-152.2156.249.5-68.6-48000113.8
1370E31.9Very low30.6Very low182 Ų182126 Ų12685%0.8568%0.675SS**  trans-64.5166.9149.8-62.6179.7112.100112.1
1371I27.1Very low30.6Very low165 Ų165128.8 Ų128.885%0.84668%0.684SS**  trans146.1119.4145.5-76.4156.5000106.6
1372G28.3Very low30.3Very low70 Ų70133.5 Ų133.572%0.72271%0.71SS**  trans-79.3-141.7-17700000113.4
1373S28.7Very low30Very low104 Ų104134.7 Ų134.773%0.72772%0.721SS**  trans98.395.7170.4-155.10000116.7
1374Y26.3Very low30.2Very low227 Ų227139.9 Ų139.989%0.8975%0.748SS**  trans58.4141.9144.7-66.7-97.4000122.2
1375K28.4Very low30Very low206 Ų206141.5 Ų141.590%0.89676%0.757SS**  trans-45.9138.7161.1-65.5168.6174.5170.80111.6
1376V26.7Very low30.1Very low138 Ų138143.2 Ų143.284%0.83677%0.765SS**  -162.6147.9123.6144.40000109.3V1378V1376-V1378 HydrophobicContact CG1-CG2 4.12Å
1377N31.7Very low29.9Very low152 Ų152145 Ų14581%0.81378%0.778SS**  trans-106.7117.1-170.9172.731.2000110.9
1378V27Very low30.3Very low129 Ų129144.3 Ų144.378%0.78278%0.782SS**  trans-149.5109.7172.6-174.70000112.6V1376V1376-V1378 HydrophobicContact CG1-CG2 4.12Å
1379D34.2Very low30.3Very low138 Ų138147.4 Ų147.474%0.73879%0.793SS**  trans-75.4178.4159.7-117-35.7000110.8
1380P35.6Very low30.3Very low87 Ų87143 Ų14357%0.56578%0.784SS**  cis-141-178.1-15.839.4-19.5000115.4
1381Q31.6Very low30.5Very low171 Ų171144.5 Ų144.580%0.79979%0.787SS**  trans44.7125142.8-70.4163.6-10.400123.2
1382N29.7Very low30.7Very low158 Ų158141.6 Ų141.685%0.84578%0.779SS**  -168.3160112.6-108.5-54.1000117.1
1383N31.3Very low30.8Very low127 Ų127142.4 Ų142.468%0.67977%0.77SS**  trans-79157.7-169.1-59.4-75.2000116.7
1384I33.3Very low31.2Very low171 Ų171142.6 Ų142.688%0.87777%0.769SS**  -135.5138.5128.4-62.7-171.9000109.6
1385Q33.6Very low31.6Very low162 Ų162137.5 Ų137.576%0.75776%0.757SS**  trans-104.7162.4179.7-63.8174.3-1400112.3
1386I32.5Very low32.1Very low163 Ų163132 Ų13284%0.83674%0.737SS**  trans-178.388145.6-89.8144.5000104.7
1387S29.1Very low32.8Very low102 Ų102134.9 Ų134.971%0.71373%0.732SS**  95.993.674.571.40000113.8
1388D33.5Very low33.7Very low150 Ų150134.9 Ų134.980%0.80273%0.725SS**  trans32.7130.9139.2-155.613.1000121.1
1389V27.7Very low35.1Very low140 Ų140136.1 Ų136.185%0.84872%0.717SS**  -179.1132.3118.1150.40000110.5
1390G28.9Very low36.6Very low62 Ų62133.6 Ų133.664%0.63970%0.703SS**  trans110.983.9153.800000117.1P1392G1390-P1392 VanDerWaalsContact O-CD 3.3Å; G1390-P1392 WeakPolarHBondContact O-CD 3.47Å
1391K34.4Very low38.1Very low212 Ų212135.4 Ų135.492%0.92270%0.704SS**  trans-71.4124.6169.4-68.4172.4178.3170.40112.2
1392P32Very low39.9Very low105 Ų105133.2 Ų133.268%0.68270%0.697SS**  trans-86.4129.1155-4.825.7000109.2G1390 I1396G1390-P1392 VanDerWaalsContact O-CD 3.3Å; G1390-P1392 WeakPolarHBondContact O-CD 3.47Å; P1392-I1396 HydrophobicContact CB-CD1 4.06Å
1393T29.7Very low42.2Very low86 Ų86130.7 Ų130.753%0.52868%0.679SS.*  trans-40.2148.3-17550.50000117.2N1395 I1396T1393-N1395 PolarHBondContact O-N 3.11Å; T1393-I1396 PolarHBondContact O-N 3.16Å
1394P37Very low44.2Very low109 Ų109129.3 Ų129.371%0.70868%0.675SS**THydrogen-bonded Turntrans-62.8-7.2179.527.2-36000115.1I1396P1394-I1396 VanDerWaalsContact C-N 3.3Å; P1394-I1396 PolarHBondContact O-N 3.46Å
1395N35.6Very low46.2Very low119 Ų119123 Ų12364%0.63665%0.648SS**Hα-helixtrans-67.1-26173.7-74.5-8.6000113.3T1393 Y1399T1393-N1395 PolarHBondContact O-N 3.11Å; N1395-Y1399 VanDerWaalsContact O-CB 3.24Å; N1395-Y1399 WeakPolarHBondContact O-CB 3.32Å; N1395-Y1399 PolarHBondContact O-N 3.42Å
1396I38.6Very low48.3Very low90 Ų90117.9 Ų117.946%0.46263%0.634SS.*Hα-helixtrans-75.5-34.2-176.4-63.2172.4000111.8P1392 T1393 P1394 Y1399 N1400P1392-I1396 HydrophobicContact CB-CD1 4.06Å; T1393-I1396 PolarHBondContact O-N 3.16Å; P1394-I1396 VanDerWaalsContact C-N 3.3Å; P1394-I1396 PolarHBondContact O-N 3.46Å; I1396-Y1399 PolarHBondContact O-N 3.22Å; I1396-N1400 PolarHBondContact O-N 2.67Å
1397R41.2Very low50.5Low199 Ų199115.2 Ų115.275%0.75162%0.616SS**Hα-helixtrans-66.9-49.1171.8-70.9-168.9-171.1-166.42111.5Y1399 N1400 E1401R1397-Y1399 VanDerWaalsContact C-N 3.27Å; R1397-Y1399 PolarHBondContact O-N 3.1Å; R1397-N1400 PolarHBondContact O-N 3.11Å; R1397-N1400 VanDerWaalsContact O-N 3.13Å; R1397-E1401 WeakPolarHBondContact O-CG 3.47Å; R1397-E1401 PolarHBondContact O-N 3.08Å
1398K51.5Low52.9Low152 Ų152115 Ų11566%0.66160%0.604SS**Hα-helixtrans-58.3-37.7173.2-87.2-170.1173-175.80112.7L1402K1398-L1402 WeakPolarHBondContact O-CB 3.32Å; K1398-L1402 PolarHBondContact O-N 3.01Å
1399Y56.2Low55.2Low156 Ų156112.7 Ų112.761%0.61259%0.591SS**Hα-helixtrans-68.4-38176.8-169.7-95.4000112.1N1395 I1396 R1397 K1403N1395-Y1399 VanDerWaalsContact O-CB 3.24Å; N1395-Y1399 WeakPolarHBondContact O-CB 3.32Å; N1395-Y1399 PolarHBondContact O-N 3.42Å; I1396-Y1399 PolarHBondContact O-N 3.22Å; R1397-Y1399 VanDerWaalsContact C-N 3.27Å; R1397-Y1399 PolarHBondContact O-N 3.1Å; Y1399-K1403 HydrophobicContact CE1-CD 4.4Å; Y1399-K1403 WeakPolarHBondContact O-CB 3.27Å; Y1399-K1403 PolarHBondContact O-N 3.01Å
1400N65.5Low58Low84 Ų84111.3 Ų111.345%0.44957%0.573SS.*Hα-helixtrans-69.8-42.3175.7-75.6-12.1000112.3I1396 R1397 K1403 V1404I1396-N1400 PolarHBondContact O-N 2.67Å; R1397-N1400 PolarHBondContact O-N 3.11Å; R1397-N1400 VanDerWaalsContact O-N 3.13Å; N1400-K1403 PolarHBondContact O-N 2.91Å; N1400-V1404 WeakPolarHBondContact O-CG2 3.47Å; N1400-V1404 PolarHBondContact O-N 3.02Å
1401E66.4Low60.3Low125 Ų125112.8 Ų112.858%0.58457%0.566SS**Hα-helixtrans-60.8-45.5172.1-72162.3-160.400111.4R1397 K1403 V1404 A1405R1397-E1401 WeakPolarHBondContact O-CG 3.47Å; R1397-E1401 PolarHBondContact O-N 3.08Å; E1401-K1403 VanDerWaalsContact C-N 3.31Å; E1401-K1403 PolarHBondContact O-N 3.02Å; E1401-V1404 PolarHBondContact O-N 2.97Å; E1401-A1405 WeakPolarHBondContact O-CB 3.23Å; E1401-A1405 PolarHBondContact O-N 3.33Å
1402L70.5Confident62.6Low125 Ų125108.6 Ų108.665%0.65455%0.548SS*.Hα-helixtrans-67-31.8176.5-159.679.7000112.1K1398 A1406K1398-L1402 WeakPolarHBondContact O-CB 3.32Å; K1398-L1402 PolarHBondContact O-N 3.01Å; L1402-A1406 WeakPolarHBondContact O-CB 3.27Å; L1402-A1406 PolarHBondContact O-N 2.7Å
1403K77.1Confident64.9Low105 Ų105108.5 Ų108.546%0.45754%0.541SS..Hα-helixtrans-70.6-45.5174.9-178.5179.6178.4-171.10110.7Y1399 N1400 E1401 A1406 F1407Y1399-K1403 HydrophobicContact CE1-CD 4.4Å; Y1399-K1403 WeakPolarHBondContact O-CB 3.27Å; Y1399-K1403 PolarHBondContact O-N 3.01Å; N1400-K1403 PolarHBondContact O-N 2.91Å; E1401-K1403 VanDerWaalsContact C-N 3.31Å; E1401-K1403 PolarHBondContact O-N 3.02Å; K1403-A1406 PolarHBondContact O-N 3.17Å; K1403-F1407 HydrophobicContact CD-CE2 4.46Å; K1403-F1407 HydrophobicContact CG-CD2 3.85Å; K1403-F1407 HydrophobicContact CG-CE2 3.81Å; K1403-F1407 VanDerWaalsContact O-CD2 3.24Å; K1403-F1407 WeakPolarHBondContact O-CD2 3.28Å; K1403-F1407 PolarHBondContact O-N 3.41Å
1404V74.6Confident67.4Low99 Ų99108.1 Ų108.160%0.654%0.535SS*.Hα-helixtrans-59.3-51.3173170.90000109.8N1400 E1401 A1406 F1407 E1408N1400-V1404 WeakPolarHBondContact O-CG2 3.47Å; N1400-V1404 PolarHBondContact O-N 3.02Å; E1401-V1404 PolarHBondContact O-N 2.97Å; V1404-A1406 VanDerWaalsContact C-N 3.31Å; V1404-A1406 PolarHBondContact O-N 3.04Å; V1404-F1407 PolarHBondContact O-N 2.9Å; V1404-F1407 VanDerWaalsContact O-N 3.15Å; V1404-E1408 WeakPolarHBondContact O-CB 3.42Å; V1404-E1408 PolarHBondContact O-N 2.88Å
1405A75Confident69.3Low38 Ų38105.6 Ų105.631%0.31452%0.52SS..Hα-helixtrans-59.4-38.4176.100000112.7E1401 E1408 I1409E1401-A1405 WeakPolarHBondContact O-CB 3.23Å; E1401-A1405 PolarHBondContact O-N 3.33Å; A1405-E1408 PolarHBondContact O-N 3.3Å; A1405-I1409 VanDerWaalsContact O-CB 3.28Å; A1405-I1409 WeakPolarHBondContact O-CB 3.48Å; A1405-I1409 WeakPolarHBondContact O-CD1 3.25Å; A1405-I1409 WeakPolarHBondContact O-CG1 3.44Å; A1405-I1409 PolarHBondContact O-N 3.36Å
1406A76.9Confident71.6Confident55 Ų55109.6 Ų109.646%0.45553%0.527SS..Hα-helixtrans-68.9-37.3175.900000112.8L1402 K1403 V1404 K1410L1402-A1406 WeakPolarHBondContact O-CB 3.27Å; L1402-A1406 PolarHBondContact O-N 2.7Å; K1403-A1406 PolarHBondContact O-N 3.17Å; V1404-A1406 VanDerWaalsContact C-N 3.31Å; V1404-A1406 PolarHBondContact O-N 3.04Å; A1406-K1410 WeakPolarHBondContact O-CB 3.4Å; A1406-K1410 PolarHBondContact O-N 2.84Å
1407F80.1Confident73.8Confident106 Ų106109.1 Ų109.147%0.46553%0.528SS..Hα-helixtrans-68.7-38.6172.2-87.5-73.2000111.8K1403 V1404 K1410 N1411K1403-F1407 HydrophobicContact CD-CE2 4.46Å; K1403-F1407 HydrophobicContact CG-CD2 3.85Å; K1403-F1407 HydrophobicContact CG-CE2 3.81Å; K1403-F1407 VanDerWaalsContact O-CD2 3.24Å; K1403-F1407 WeakPolarHBondContact O-CD2 3.28Å; K1403-F1407 PolarHBondContact O-N 3.41Å; V1404-F1407 PolarHBondContact O-N 2.9Å; V1404-F1407 VanDerWaalsContact O-N 3.15Å; F1407-K1410 HydrophobicContact CD1-CD 4.44Å; F1407-K1410 WeakPolarHBondContact O-CB 3.4Å; F1407-K1410 PolarHBondContact O-N 3.22Å; F1407-N1411 WeakPolarHBondContact O-CB 3.49Å; F1407-N1411 VanDerWaalsContact O-CG 3.23Å; F1407-N1411 PolarHBondContact O-N 3.47Å; F1407-N1411 PolarHBondContact O-OD1 3.03Å
1408E79Confident75.6Confident97 Ų97105.2 Ų105.245%0.45352%0.518SS..Hα-helixtrans-67.1-43.9176.8-155.1-160144.900111.4V1404 A1405 N1411 K1412V1404-E1408 WeakPolarHBondContact O-CB 3.42Å; V1404-E1408 PolarHBondContact O-N 2.88Å; A1405-E1408 PolarHBondContact O-N 3.3Å; E1408-N1411 PolarHBondContact O-N 3.47Å; E1408-K1412 WeakPolarHBondContact O-CB 3.38Å; E1408-K1412 WeakPolarHBondContact O-CG 3.47Å; E1408-K1412 PolarHBondContact O-N 3.39Å; E1408-K1412 WeakPolarHBondContact OE1-CE 3.36Å; E1408-K1412 IonicContact OE1-NZ 3.73Å; E1408-K1412 PolarHBondContact OE1-NZ 2.78Å
1409I81.9Confident77Confident103 Ų103104 Ų10453%0.52851%0.513SS..Hα-helixtrans-61.9-42.4171.7-71.8166.9000110.6A1405 K1412 L1413A1405-I1409 VanDerWaalsContact O-CB 3.28Å; A1405-I1409 WeakPolarHBondContact O-CB 3.48Å; A1405-I1409 WeakPolarHBondContact O-CD1 3.25Å; A1405-I1409 WeakPolarHBondContact O-CG1 3.44Å; A1405-I1409 PolarHBondContact O-N 3.36Å; I1409-K1412 PolarHBondContact O-N 2.91Å; I1409-L1413 HydrophobicContact CG2-CD1 3.98Å; I1409-L1413 WeakPolarHBondContact O-CB 3.45Å; I1409-L1413 PolarHBondContact O-N 3.1Å
1410K86.1Confident78.2Confident110 Ų110101.8 Ų101.848%0.47851%0.511SS..Hα-helixtrans-61.3-45.6175.3178.5-175.5172.9-172.20111.6A1406 F1407 L1413 I1414A1406-K1410 WeakPolarHBondContact O-CB 3.4Å; A1406-K1410 PolarHBondContact O-N 2.84Å; F1407-K1410 HydrophobicContact CD1-CD 4.44Å; F1407-K1410 WeakPolarHBondContact O-CB 3.4Å; F1407-K1410 PolarHBondContact O-N 3.22Å; K1410-L1413 WeakPolarHBondContact O-CB 3.46Å; K1410-L1413 PolarHBondContact O-N 3.12Å; K1410-I1414 HydrophobicContact CG-CD1 3.93Å; K1410-I1414 WeakPolarHBondContact O-CG1 3.45Å; K1410-I1414 PolarHBondContact O-N 3.05Å
1411N78.2Confident79Confident93 Ų93102.2 Ų102.250%0.49751%0.51SS..Hα-helixtrans-68-37.4179-70.5-6.6000111.6F1407 E1408 I1414 S1415F1407-N1411 WeakPolarHBondContact O-CB 3.49Å; F1407-N1411 VanDerWaalsContact O-CG 3.23Å; F1407-N1411 PolarHBondContact O-N 3.47Å; F1407-N1411 PolarHBondContact O-OD1 3.03Å; E1408-N1411 PolarHBondContact O-N 3.47Å; N1411-I1414 PolarHBondContact O-N 2.95Å; N1411-S1415 WeakPolarHBondContact O-CB 3.37Å; N1411-S1415 PolarHBondContact O-N 3.34Å; N1411-S1415 PolarHBondContact O-OG 3.42Å
1412K81.6Confident79.5Confident124 Ų12498.2 Ų98.254%0.53950%0.499SS..Hα-helixtrans-63.6-38.2170.3-78.2169.1171.4168.40112.1E1408 I1409 R1416E1408-K1412 WeakPolarHBondContact O-CB 3.38Å; E1408-K1412 WeakPolarHBondContact O-CG 3.47Å; E1408-K1412 PolarHBondContact O-N 3.39Å; E1408-K1412 WeakPolarHBondContact OE1-CE 3.36Å; E1408-K1412 IonicContact OE1-NZ 3.73Å; E1408-K1412 PolarHBondContact OE1-NZ 2.78Å; I1409-K1412 PolarHBondContact O-N 2.91Å; K1412-R1416 WeakPolarHBondContact O-CB 3.4Å; K1412-R1416 PolarHBondContact O-N 2.9Å
1413L79.4Confident79.7Confident103 Ų10394.8 Ų94.854%0.53949%0.489SS..Hα-helixtrans-68.4-44.1174.2-102.9149.6000112.7I1409 K1410 R1416 T1417I1409-L1413 HydrophobicContact CG2-CD1 3.98Å; I1409-L1413 WeakPolarHBondContact O-CB 3.45Å; I1409-L1413 PolarHBondContact O-N 3.1Å; K1410-L1413 WeakPolarHBondContact O-CB 3.46Å; K1410-L1413 PolarHBondContact O-N 3.12Å; L1413-R1416 PolarHBondContact O-N 3.1Å; L1413-T1417 WeakPolarHBondContact O-CB 3.24Å; L1413-T1417 PolarHBondContact O-N 3.49Å; L1413-T1417 PolarHBondContact O-OG1 3.48Å
1414I82.3Confident79.9Confident78 Ų7894.9 Ų94.940%0.449%0.494SS..Hα-helixtrans-61.8-47.3175.3-69.6166.8000109.9K1410 N1411 R1416 T1417 Q1418K1410-I1414 HydrophobicContact CG-CD1 3.93Å; K1410-I1414 WeakPolarHBondContact O-CG1 3.45Å; K1410-I1414 PolarHBondContact O-N 3.05Å; N1411-I1414 PolarHBondContact O-N 2.95Å; I1414-R1416 VanDerWaalsContact C-N 3.34Å; I1414-R1416 PolarHBondContact O-N 3.41Å; I1414-T1417 PolarHBondContact O-N 2.81Å; I1414-T1417 VanDerWaalsContact O-N 3.11Å; I1414-Q1418 WeakPolarHBondContact O-CG 3.45Å; I1414-Q1418 PolarHBondContact O-N 3.42Å
1415S78Confident80.2Confident56 Ų5695 Ų9539%0.39249%0.486SS..Hα-helixtrans-61.1-39176-60.50000112.6N1411 K1419N1411-S1415 WeakPolarHBondContact O-CB 3.37Å; N1411-S1415 PolarHBondContact O-N 3.34Å; N1411-S1415 PolarHBondContact O-OG 3.42Å; S1415-K1419 WeakPolarHBondContact O-CB 3.26Å; S1415-K1419 VanDerWaalsContact O-CG 3.27Å; S1415-K1419 WeakPolarHBondContact O-CG 3.31Å; S1415-K1419 PolarHBondContact O-N 3.33Å
1416R83.2Confident80.4Confident204 Ų20496.1 Ų96.177%0.7749%0.485SS*.Hα-helixtrans-65.9-39.9172.9-103.9-179.6162.8159.4-5.2112.2K1412 L1413 I1414 K1419 L1420K1412-R1416 WeakPolarHBondContact O-CB 3.4Å; K1412-R1416 PolarHBondContact O-N 2.9Å; L1413-R1416 PolarHBondContact O-N 3.1Å; I1414-R1416 VanDerWaalsContact C-N 3.34Å; I1414-R1416 PolarHBondContact O-N 3.41Å; R1416-K1419 PolarHBondContact O-N 2.93Å; R1416-L1420 WeakPolarHBondContact O-CB 3.25Å; R1416-L1420 PolarHBondContact O-N 3.46Å
1417T85.3Confident80.5Confident80 Ų8096.7 Ų96.749%0.49148%0.483SS..Hα-helixtrans-68.6-43.2-180-52.90000111L1413 I1414 L1420 E1421L1413-T1417 WeakPolarHBondContact O-CB 3.24Å; L1413-T1417 PolarHBondContact O-N 3.49Å; L1413-T1417 PolarHBondContact O-OG1 3.48Å; I1414-T1417 PolarHBondContact O-N 2.81Å; I1414-T1417 VanDerWaalsContact O-N 3.11Å; T1417-L1420 PolarHBondContact O-N 2.97Å; T1417-E1421 WeakPolarHBondContact O-CB 3.47Å; T1417-E1421 PolarHBondContact O-N 3.32Å
1418Q79.8Confident80.3Confident116 Ų11698.6 Ų98.654%0.54249%0.493SS..Hα-helixtrans-62.5-42.3173.9-73173.2-34.900111.9I1414 E1421 A1422I1414-Q1418 WeakPolarHBondContact O-CG 3.45Å; I1414-Q1418 PolarHBondContact O-N 3.42Å; Q1418-E1421 PolarHBondContact O-N 2.89Å; Q1418-A1422 WeakPolarHBondContact O-CB 3.41Å; Q1418-A1422 PolarHBondContact O-N 3.01Å
1419K80.5Confident80.7Confident126 Ų12698 Ų9855%0.54849%0.486SS..Hα-helixtrans-64.7-36.8173.9-74.3175.8-179.8-176.70112.6S1415 R1416 A1423S1415-K1419 WeakPolarHBondContact O-CB 3.26Å; S1415-K1419 VanDerWaalsContact O-CG 3.27Å; S1415-K1419 WeakPolarHBondContact O-CG 3.31Å; S1415-K1419 PolarHBondContact O-N 3.33Å; R1416-K1419 PolarHBondContact O-N 2.93Å; K1419-A1423 WeakPolarHBondContact O-CB 3.45Å; K1419-A1423 PolarHBondContact O-N 3.42Å
1420L81.7Confident80.6Confident111 Ų11196.1 Ų96.158%0.58148%0.477SS*.Hα-helixtrans-68.3-40.9174.4-171.271.9000111.8R1416 T1417 A1423 L1424R1416-L1420 WeakPolarHBondContact O-CB 3.25Å; R1416-L1420 PolarHBondContact O-N 3.46Å; T1417-L1420 PolarHBondContact O-N 2.97Å; L1420-A1423 PolarHBondContact O-N 2.88Å; L1420-L1424 HydrophobicContact CG-CD1 4.3Å; L1420-L1424 WeakPolarHBondContact O-CB 3.34Å; L1420-L1424 VanDerWaalsContact O-CG 3.31Å; L1420-L1424 WeakPolarHBondContact O-CG 3.46Å; L1420-L1424 PolarHBondContact O-N 2.88Å
1421E80.8Confident80.4Confident92 Ų9299.4 Ų99.443%0.4349%0.487SS..Hα-helixtrans-67.1-39.7177.3-163-169141.200111.8T1417 Q1418 L1424 K1425T1417-E1421 WeakPolarHBondContact O-CB 3.47Å; T1417-E1421 PolarHBondContact O-N 3.32Å; Q1418-E1421 PolarHBondContact O-N 2.89Å; E1421-L1424 PolarHBondContact O-N 2.79Å; E1421-K1425 WeakPolarHBondContact O-CG 3.45Å; E1421-K1425 PolarHBondContact O-N 2.71Å; E1421-K1425 WeakPolarHBondContact OE1-CE 3.12Å; E1421-K1425 IonicContact OE1-NZ 3.17Å; E1421-K1425 PolarHBondContact OE1-NZ 3.21Å
1422A78.2Confident80.6Confident42 Ų4297 Ų9735%0.34748%0.484SS..Hα-helixtrans-62-45.4171.200000111.6Q1418 L1424 K1425 E1426Q1418-A1422 WeakPolarHBondContact O-CB 3.41Å; Q1418-A1422 PolarHBondContact O-N 3.01Å; A1422-L1424 VanDerWaalsContact C-N 3.34Å; A1422-L1424 PolarHBondContact O-N 2.89Å; A1422-K1425 PolarHBondContact O-N 3.37Å; A1422-E1426 WeakPolarHBondContact O-CB 3.43Å; A1422-E1426 PolarHBondContact O-N 3.48Å
1423A73.4Confident80.4Confident53 Ų5393.5 Ų93.544%0.43847%0.472SS..Hα-helixtrans-63.9-35.3176.300000112.9K1419 L1420 E1426 V1427K1419-A1423 WeakPolarHBondContact O-CB 3.45Å; K1419-A1423 PolarHBondContact O-N 3.42Å; L1420-A1423 PolarHBondContact O-N 2.88Å; A1423-E1426 PolarHBondContact O-N 2.98Å; A1423-V1427 WeakPolarHBondContact O-CB 3.47Å; A1423-V1427 VanDerWaalsContact O-CG2 3.29Å; A1423-V1427 WeakPolarHBondContact O-CG2 3.44Å; A1423-V1427 PolarHBondContact O-N 3.2Å
1424L81.5Confident80.2Confident107 Ų10794 Ų9456%0.5647%0.474SS*.Hα-helixtrans-69.6-41.7175.5-75.4169.9000112.1L1420 E1421 A1422 E1426 V1427 E1428L1420-L1424 HydrophobicContact CG-CD1 4.3Å; L1420-L1424 WeakPolarHBondContact O-CB 3.34Å; L1420-L1424 VanDerWaalsContact O-CG 3.31Å; L1420-L1424 WeakPolarHBondContact O-CG 3.46Å; L1420-L1424 PolarHBondContact O-N 2.88Å; E1421-L1424 PolarHBondContact O-N 2.79Å; A1422-L1424 VanDerWaalsContact C-N 3.34Å; A1422-L1424 PolarHBondContact O-N 2.89Å; L1424-E1426 VanDerWaalsContact C-N 3.31Å; L1424-E1426 PolarHBondContact O-N 3.29Å; L1424-V1427 PolarHBondContact O-N 3.02Å; L1424-E1428 PolarHBondContact O-N 2.93Å
1425K82Confident80.2Confident102 Ų10294.5 Ų94.544%0.44348%0.475SS..Hα-helixtrans-61.9-39.4172.5-75.3171-178165.60111.7E1421 A1422 E1428 R1429E1421-K1425 WeakPolarHBondContact O-CG 3.45Å; E1421-K1425 PolarHBondContact O-N 2.71Å; E1421-K1425 WeakPolarHBondContact OE1-CE 3.12Å; E1421-K1425 IonicContact OE1-NZ 3.17Å; E1421-K1425 PolarHBondContact OE1-NZ 3.21Å; A1422-K1425 PolarHBondContact O-N 3.37Å; K1425-E1428 PolarHBondContact O-N 3.45Å; K1425-R1429 PolarHBondContact O-N 2.93Å
1426E77.9Confident80.2Confident61 Ų6196.5 Ų96.529%0.28548%0.478SS..Hα-helixtrans-68.5-39.7175.6-178.656.2-163.900112.3A1422 A1423 L1424 E1428 R1429 L1430A1422-E1426 WeakPolarHBondContact O-CB 3.43Å; A1422-E1426 PolarHBondContact O-N 3.48Å; A1423-E1426 PolarHBondContact O-N 2.98Å; L1424-E1426 VanDerWaalsContact C-N 3.31Å; L1424-E1426 PolarHBondContact O-N 3.29Å; E1426-E1428 VanDerWaalsContact C-N 3.29Å; E1426-E1428 PolarHBondContact O-N 2.89Å; E1426-R1429 WeakPolarHBondContact O-CB 3.43Å; E1426-R1429 PolarHBondContact O-N 2.65Å; E1426-R1429 IonicContact OE1-CZ 2.7Å; E1426-R1429 IonicContact OE1-NE 2.79Å; E1426-R1429 PolarHBondContact OE1-NE 3.06Å; E1426-R1429 IonicContact OE1-NH2 2.68Å; E1426-R1429 PolarHBondContact OE1-NH2 2.95Å; E1426-R1429 IonicContact OE2-CZ 3.12Å; E1426-R1429 IonicContact OE2-NE 3.64Å; E1426-R1429 PolarHBondContact OE2-NE 3.18Å; E1426-R1429 IonicContact OE2-NH2 3.54Å; E1426-L1430 HydrophobicContact CG-CD1 4.13Å; E1426-L1430 HydrophobicContact CG-CG 4.48Å; E1426-L1430 WeakPolarHBondContact O-CB 3.28Å; E1426-L1430 VanDerWaalsContact O-CG 3.25Å; E1426-L1430 WeakPolarHBondContact O-CG 3.28Å; E1426-L1430 PolarHBondContact O-N 3.3Å
1427V79.7Confident80Confident67 Ų6790.8 Ų90.841%0.40646%0.463SS..Hα-helixtrans-62.8-35.1171.8165.70000111.9A1423 L1424 R1431A1423-V1427 WeakPolarHBondContact O-CB 3.47Å; A1423-V1427 VanDerWaalsContact O-CG2 3.29Å; A1423-V1427 WeakPolarHBondContact O-CG2 3.44Å; A1423-V1427 PolarHBondContact O-N 3.2Å; L1424-V1427 PolarHBondContact O-N 3.02Å; V1427-R1431 WeakPolarHBondContact O-CB 3.33Å; V1427-R1431 VanDerWaalsContact O-CG 3.24Å; V1427-R1431 WeakPolarHBondContact O-CG 3.2Å; V1427-R1431 PolarHBondContact O-N 3.48Å
1428E76.5Confident79.8Confident146 Ų14693.8 Ų93.868%0.68247%0.469SS*.Hα-helixtrans-70.8-40.8175.3-166.6156.3-14700111.7L1424 K1425 E1426 R1431 G1432L1424-E1428 PolarHBondContact O-N 2.93Å; K1425-E1428 PolarHBondContact O-N 3.45Å; E1426-E1428 VanDerWaalsContact C-N 3.29Å; E1426-E1428 PolarHBondContact O-N 2.89Å; E1428-R1431 PolarHBondContact O-N 3.4Å; E1428-G1432 PolarHBondContact O-N 2.99Å; E1428-G1432 VanDerWaalsContact O-N 3.11Å
1429R85.9Confident79.8Confident83 Ų8393.4 Ų93.431%0.31347%0.468SS..Hα-helixtrans-58.7-49.5170.4-166.1-168.772.179.53.7111.6K1425 E1426 R1431 G1432 V1433K1425-R1429 PolarHBondContact O-N 2.93Å; E1426-R1429 WeakPolarHBondContact O-CB 3.43Å; E1426-R1429 PolarHBondContact O-N 2.65Å; E1426-R1429 IonicContact OE1-CZ 2.7Å; E1426-R1429 IonicContact OE1-NE 2.79Å; E1426-R1429 PolarHBondContact OE1-NE 3.06Å; E1426-R1429 IonicContact OE1-NH2 2.68Å; E1426-R1429 PolarHBondContact OE1-NH2 2.95Å; E1426-R1429 IonicContact OE2-CZ 3.12Å; E1426-R1429 IonicContact OE2-NE 3.64Å; E1426-R1429 PolarHBondContact OE2-NE 3.18Å; E1426-R1429 IonicContact OE2-NH2 3.54Å; R1429-R1431 VanDerWaalsContact C-N 3.34Å; R1429-R1431 PolarHBondContact O-N 3.08Å; R1429-G1432 WeakPolarHBondContact O-CA 3.4Å; R1429-G1432 PolarHBondContact O-N 3.11Å; R1429-V1433 PolarHBondContact O-N 3.14Å
1430L81.1Confident79.7Confident64 Ų6495 Ų9534%0.33547%0.47SS..Hα-helixtrans-62.8-36.1178.4-71.7170000112.4E1426 G1432 V1433 I1434E1426-L1430 HydrophobicContact CG-CD1 4.13Å; E1426-L1430 HydrophobicContact CG-CG 4.48Å; E1426-L1430 WeakPolarHBondContact O-CB 3.28Å; E1426-L1430 VanDerWaalsContact O-CG 3.25Å; E1426-L1430 WeakPolarHBondContact O-CG 3.28Å; E1426-L1430 PolarHBondContact O-N 3.3Å; L1430-G1432 VanDerWaalsContact C-N 3.31Å; L1430-G1432 PolarHBondContact O-N 3.31Å; L1430-V1433 PolarHBondContact O-N 3.01Å; L1430-I1434 WeakPolarHBondContact O-CB 3.49Å; L1430-I1434 WeakPolarHBondContact O-CD1 3.42Å; L1430-I1434 VanDerWaalsContact O-CG1 3.22Å; L1430-I1434 WeakPolarHBondContact O-CG1 3.3Å; L1430-I1434 PolarHBondContact O-N 3.45Å
1431R82.1Confident79.5Confident180 Ų18092.3 Ų92.368%0.67946%0.464SS*.Hα-helixtrans-63-37.5171.6-77.7169.6-176.6-96.72112.2V1427 E1428 R1429 Q1435V1427-R1431 WeakPolarHBondContact O-CB 3.33Å; V1427-R1431 VanDerWaalsContact O-CG 3.24Å; V1427-R1431 WeakPolarHBondContact O-CG 3.2Å; V1427-R1431 PolarHBondContact O-N 3.48Å; E1428-R1431 PolarHBondContact O-N 3.4Å; R1429-R1431 VanDerWaalsContact C-N 3.34Å; R1429-R1431 PolarHBondContact O-N 3.08Å; R1431-Q1435 WeakPolarHBondContact O-CB 3.47Å; R1431-Q1435 PolarHBondContact O-N 2.8Å; R1431-Q1435 VanDerWaalsContact O-N 3.11Å
1432G80.9Confident79.4Confident43 Ų4391.1 Ų91.144%0.44347%0.466SS..Hα-helixtrans-62.3-48.9172.200000112.5E1428 R1429 L1430 Q1435 Q1436E1428-G1432 PolarHBondContact O-N 2.99Å; E1428-G1432 VanDerWaalsContact O-N 3.11Å; R1429-G1432 WeakPolarHBondContact O-CA 3.4Å; R1429-G1432 PolarHBondContact O-N 3.11Å; L1430-G1432 VanDerWaalsContact C-N 3.31Å; L1430-G1432 PolarHBondContact O-N 3.31Å; G1432-Q1435 PolarHBondContact O-N 3.21Å; G1432-Q1436 PolarHBondContact O-N 2.78Å
1433V77.7Confident79.5Confident49 Ų4990.8 Ų90.830%0.29747%0.466SS..Hα-helixtrans-60.7-47.9177.2177.20000111.3R1429 L1430 Q1435 Q1436 D1437R1429-V1433 PolarHBondContact O-N 3.14Å; L1430-V1433 PolarHBondContact O-N 3.01Å; V1433-Q1435 PolarHBondContact O-N 3.31Å; V1433-Q1436 PolarHBondContact O-N 3.43Å; V1433-Q1436 VanDerWaalsContact O-N 3.08Å; V1433-D1437 WeakPolarHBondContact O-CB 3.46Å; V1433-D1437 PolarHBondContact O-N 3.44Å
1434I76.5Confident79.7Confident113 Ų11391 Ų9158%0.57947%0.468SS*.Hα-helixtrans-59.3-35.8177.8-70.1164.7000111.7L1430 K1438L1430-I1434 WeakPolarHBondContact O-CB 3.49Å; L1430-I1434 WeakPolarHBondContact O-CD1 3.42Å; L1430-I1434 VanDerWaalsContact O-CG1 3.22Å; L1430-I1434 WeakPolarHBondContact O-CG1 3.3Å; L1430-I1434 PolarHBondContact O-N 3.45Å; I1434-K1438 VanDerWaalsContact O-CB 3.25Å; I1434-K1438 WeakPolarHBondContact O-CB 3.12Å; I1434-K1438 PolarHBondContact O-N 2.86Å
1435Q82.1Confident79.7Confident90 Ų9090.4 Ų90.442%0.42147%0.465SS..Hα-helixtrans-70.8-41.6175.5-178.958.931.100111.7R1431 G1432 V1433 K1438 E1439R1431-Q1435 WeakPolarHBondContact O-CB 3.47Å; R1431-Q1435 PolarHBondContact O-N 2.8Å; R1431-Q1435 VanDerWaalsContact O-N 3.11Å; G1432-Q1435 PolarHBondContact O-N 3.21Å; V1433-Q1435 PolarHBondContact O-N 3.31Å; Q1435-K1438 PolarHBondContact O-N 3.24Å; Q1435-E1439 PolarHBondContact NE2-OE1 2.88Å; Q1435-E1439 WeakPolarHBondContact O-CG 3.25Å; Q1435-E1439 PolarHBondContact O-N 3.04Å
1436Q78Confident79.7Confident97 Ų9789.8 Ų89.845%0.45347%0.467SS..Hα-helixtrans-66-40.1175.9-167.2-17916.400112.1G1432 V1433 E1439 R1440G1432-Q1436 PolarHBondContact O-N 2.78Å; V1433-Q1436 PolarHBondContact O-N 3.43Å; V1433-Q1436 VanDerWaalsContact O-N 3.08Å; Q1436-E1439 PolarHBondContact O-N 3.46Å; Q1436-R1440 VanDerWaalsContact NE2-NH2 3.18Å; Q1436-R1440 WeakPolarHBondContact O-CG 3.45Å; Q1436-R1440 PolarHBondContact O-N 2.92Å
1437D78.2Confident80Confident84 Ų8493.4 Ų93.445%0.44948%0.484SS..Hα-helixtrans-67.5-36.7175.8-77.2-20.7000111.8V1433 E1439 R1440 A1441V1433-D1437 WeakPolarHBondContact O-CB 3.46Å; V1433-D1437 PolarHBondContact O-N 3.44Å; D1437-E1439 VanDerWaalsContact C-N 3.31Å; D1437-E1439 PolarHBondContact O-N 3.47Å; D1437-R1440 PolarHBondContact O-N 2.68Å; D1437-A1441 WeakPolarHBondContact O-CB 3.27Å; D1437-A1441 PolarHBondContact O-N 3.25Å
1438K81.5Confident80.1Confident143 Ų14395.9 Ų95.962%0.62249%0.494SS*.Hα-helixtrans-62.7-38.5171.8-177.5-179.5176.8-174.70111.8I1434 Q1435 S1442I1434-K1438 VanDerWaalsContact O-CB 3.25Å; I1434-K1438 WeakPolarHBondContact O-CB 3.12Å; I1434-K1438 PolarHBondContact O-N 2.86Å; Q1435-K1438 PolarHBondContact O-N 3.24Å; K1438-S1442 WeakPolarHBondContact O-CB 3.46Å; K1438-S1442 PolarHBondContact O-N 2.83Å
1439E80.6Confident80.4Confident108 Ų10894.6 Ų94.651%0.50549%0.486SS..Hα-helixtrans-68.9-48.1175.2-73.8168.6-161.800111.5Q1435 Q1436 D1437 A1441 S1442 G1443Q1435-E1439 PolarHBondContact NE2-OE1 2.88Å; Q1435-E1439 WeakPolarHBondContact O-CG 3.25Å; Q1435-E1439 PolarHBondContact O-N 3.04Å; Q1436-E1439 PolarHBondContact O-N 3.46Å; D1437-E1439 VanDerWaalsContact C-N 3.31Å; D1437-E1439 PolarHBondContact O-N 3.47Å; E1439-A1441 PolarHBondContact O-N 3.41Å; E1439-S1442 PolarHBondContact O-N 2.74Å; E1439-S1442 VanDerWaalsContact O-N 3.14Å; E1439-S1442 PolarHBondContact O-OG 2.92Å; E1439-G1443 PolarHBondContact O-N 2.81Å; E1439-G1443 VanDerWaalsContact O-N 3.11Å
1440R78.5Confident80.4Confident159 Ų15994.9 Ų94.960%0.649%0.494SS*.Hα-helixtrans-58.6-44.2174-70.9-179.3-172.7-163.87.5112.2Q1436 D1437 S1442 G1443 A1444Q1436-R1440 VanDerWaalsContact NE2-NH2 3.18Å; Q1436-R1440 WeakPolarHBondContact O-CG 3.45Å; Q1436-R1440 PolarHBondContact O-N 2.92Å; D1437-R1440 PolarHBondContact O-N 2.68Å; R1440-S1442 VanDerWaalsContact C-N 3.32Å; R1440-S1442 PolarHBondContact O-N 3.42Å; R1440-G1443 PolarHBondContact O-N 3.4Å; R1440-A1444 PolarHBondContact O-N 2.69Å
1441A77.6Confident80.5Confident55 Ų5596.7 Ų96.746%0.45550%0.503SS..Hα-helixtrans-62.8-37.8176.300000111.7D1437 E1439 A1444 L1445D1437-A1441 WeakPolarHBondContact O-CB 3.27Å; D1437-A1441 PolarHBondContact O-N 3.25Å; E1439-A1441 PolarHBondContact O-N 3.41Å; A1441-A1444 PolarHBondContact O-N 2.91Å; A1441-L1445 VanDerWaalsContact O-CB 3.25Å; A1441-L1445 WeakPolarHBondContact O-CB 3.31Å; A1441-L1445 PolarHBondContact O-N 3.45Å
1442S77.8Confident80.7Confident67 Ų6797 Ų9747%0.46950%0.504SS..Hα-helixtrans-64.1-43.1175.972.70000112.4K1438 E1439 R1440 L1445 D1446K1438-S1442 WeakPolarHBondContact O-CB 3.46Å; K1438-S1442 PolarHBondContact O-N 2.83Å; E1439-S1442 PolarHBondContact O-N 2.74Å; E1439-S1442 VanDerWaalsContact O-N 3.14Å; E1439-S1442 PolarHBondContact O-OG 2.92Å; R1440-S1442 VanDerWaalsContact C-N 3.32Å; R1440-S1442 PolarHBondContact O-N 3.42Å; S1442-L1445 PolarHBondContact O-N 3.49Å; S1442-D1446 PolarHBondContact O-N 3.39Å; S1442-D1446 VanDerWaalsContact O-N 3.08Å
1443G81.1Confident80.9Confident35 Ų3599.8 Ų99.836%0.36151%0.506SS..Hα-helixtrans-62-47.4174.300000112.8E1439 R1440 L1445 D1446 E1447E1439-G1443 PolarHBondContact O-N 2.81Å; E1439-G1443 VanDerWaalsContact O-N 3.11Å; R1440-G1443 PolarHBondContact O-N 3.4Å; G1443-L1445 VanDerWaalsContact C-N 3.27Å; G1443-L1445 PolarHBondContact O-N 3.29Å; G1443-D1446 PolarHBondContact O-N 2.9Å; G1443-E1447 PolarHBondContact O-N 3.5Å
1444A75.6Confident81.2Confident57 Ų57103.1 Ų103.147%0.47152%0.516SS..Hα-helixtrans-62.5-32.1176.700000113R1440 A1441 L1448R1440-A1444 PolarHBondContact O-N 2.69Å; A1441-A1444 PolarHBondContact O-N 2.91Å; A1444-L1448 VanDerWaalsContact O-CB 3.31Å; A1444-L1448 WeakPolarHBondContact O-CB 3.43Å; A1444-L1448 PolarHBondContact O-N 3.38Å
1445L82.9Confident81.4Confident96 Ų96101.3 Ų101.350%0.50351%0.511SS..Hα-helixtrans-74.1-32.6177.9-153.1157.5000111.3A1441 S1442 G1443 K1449A1441-L1445 VanDerWaalsContact O-CB 3.25Å; A1441-L1445 WeakPolarHBondContact O-CB 3.31Å; A1441-L1445 PolarHBondContact O-N 3.45Å; S1442-L1445 PolarHBondContact O-N 3.49Å; G1443-L1445 VanDerWaalsContact C-N 3.27Å; G1443-L1445 PolarHBondContact O-N 3.29Å; L1445-K1449 WeakPolarHBondContact O-CG 3.39Å; L1445-K1449 PolarHBondContact O-N 2.98Å
1446D82.6Confident81.6Confident88 Ų88101.4 Ų101.447%0.47151%0.513SS..Hα-helixtrans-73.7-39.4171.5-73.7-21000112.4S1442 G1443 L1448 K1449 D1450S1442-D1446 PolarHBondContact O-N 3.39Å; S1442-D1446 VanDerWaalsContact O-N 3.08Å; G1443-D1446 PolarHBondContact O-N 2.9Å; D1446-L1448 VanDerWaalsContact C-N 3.3Å; D1446-L1448 PolarHBondContact O-N 3Å; D1446-K1449 WeakPolarHBondContact O-CB 3.49Å; D1446-K1449 PolarHBondContact O-N 3.08Å; D1446-K1449 IonicContact OD1-NZ 3.75Å; D1446-K1449 PolarHBondContact OD1-NZ 3.34Å; D1446-D1450 PolarHBondContact O-N 2.75Å
1447E82.6Confident82Confident138 Ų138103.9 Ų103.965%0.64552%0.519SS*.Hα-helixtrans-59.4-39.6168.6-73.5-176.9-170.600112.2G1443 D1450 L1451G1443-E1447 PolarHBondContact O-N 3.5Å; E1447-D1450 PolarHBondContact O-N 2.81Å; E1447-L1451 PolarHBondContact O-N 2.76Å
1448L82.5Confident82.3Confident119 Ų119107.1 Ų107.162%0.62353%0.529SS*.Hα-helixtrans-66.3-36.3176.5-167.773.9000112.2A1444 D1446 R1452A1444-L1448 VanDerWaalsContact O-CB 3.31Å; A1444-L1448 WeakPolarHBondContact O-CB 3.43Å; A1444-L1448 PolarHBondContact O-N 3.38Å; D1446-L1448 VanDerWaalsContact C-N 3.3Å; D1446-L1448 PolarHBondContact O-N 3Å; L1448-R1452 VanDerWaalsContact O-CB 3.26Å; L1448-R1452 WeakPolarHBondContact O-CB 3.46Å; L1448-R1452 PolarHBondContact O-N 3.22Å
1449K83.4Confident82.4Confident118 Ų118103.6 Ų103.651%0.51352%0.517SS..Hα-helixtrans-62.7-44.2171.3-72.3168.4-167.8155.70110.9L1445 D1446 R1452 Q1453L1445-K1449 WeakPolarHBondContact O-CG 3.39Å; L1445-K1449 PolarHBondContact O-N 2.98Å; D1446-K1449 WeakPolarHBondContact O-CB 3.49Å; D1446-K1449 PolarHBondContact O-N 3.08Å; D1446-K1449 IonicContact OD1-NZ 3.75Å; D1446-K1449 PolarHBondContact OD1-NZ 3.34Å; K1449-R1452 PolarHBondContact O-N 3.11Å; K1449-Q1453 WeakPolarHBondContact O-CB 3.29Å; K1449-Q1453 PolarHBondContact O-N 2.81Å
1450D84.4Confident82.7Confident89 Ų89102.4 Ų102.448%0.47651%0.511SS..Hα-helixtrans-66.8-40.9179.5-11125000112.4D1446 E1447 Q1453 K1454D1446-D1450 PolarHBondContact O-N 2.75Å; E1447-D1450 PolarHBondContact O-N 2.81Å; D1450-Q1453 PolarHBondContact O-N 2.87Å; D1450-K1454 WeakPolarHBondContact O-CG 3.46Å; D1450-K1454 PolarHBondContact O-N 3.46Å
1451L83.8Confident82.9Confident102 Ų102104 Ų10453%0.53452%0.517SS..Hα-helixtrans-61.9-46.3170.5-104.977.6000111.3E1447 Q1453 K1454 V1455E1447-L1451 PolarHBondContact O-N 2.76Å; L1451-Q1453 VanDerWaalsContact C-N 3.26Å; L1451-Q1453 PolarHBondContact O-N 2.88Å; L1451-K1454 CarbonylContact O-C 3.59Å; L1451-K1454 WeakPolarHBondContact O-CB 3.42Å; L1451-K1454 PolarHBondContact O-N 2.93Å; L1451-V1455 WeakPolarHBondContact O-CG2 3.49Å; L1451-V1455 PolarHBondContact O-N 2.88Å
1452R86.2Confident83.1Confident186 Ų186105.2 Ų105.270%0.70252%0.515SS*.Hα-helixtrans-57.7-40.7176.3-171.9176.7-176.4179.11.2111.2L1448 K1449 V1455 L1456L1448-R1452 VanDerWaalsContact O-CB 3.26Å; L1448-R1452 WeakPolarHBondContact O-CB 3.46Å; L1448-R1452 PolarHBondContact O-N 3.22Å; K1449-R1452 PolarHBondContact O-N 3.11Å; R1452-V1455 PolarHBondContact O-N 3.28Å; R1452-L1456 HydrophobicContact CG-CD1 4.33Å; R1452-L1456 WeakPolarHBondContact O-CB 3.42Å; R1452-L1456 VanDerWaalsContact O-CG 3.29Å; R1452-L1456 WeakPolarHBondContact O-CG 3.39Å; R1452-L1456 PolarHBondContact O-N 2.97Å
1453Q85.4Confident83.4Confident102 Ų102107.6 Ų107.648%0.47751%0.514SS..Hα-helixtrans-72-26.7177-162.164.83.900113.4K1449 D1450 L1451 R1457K1449-Q1453 WeakPolarHBondContact O-CB 3.29Å; K1449-Q1453 PolarHBondContact O-N 2.81Å; D1450-Q1453 PolarHBondContact O-N 2.87Å; L1451-Q1453 VanDerWaalsContact C-N 3.26Å; L1451-Q1453 PolarHBondContact O-N 2.88Å; Q1453-R1457 WeakPolarHBondContact O-CG 3.42Å; Q1453-R1457 PolarHBondContact O-N 3.32Å; Q1453-R1457 PolarHBondContact O-NE 2.89Å
1454K83.7Confident83.7Confident119 Ų119109.4 Ų109.452%0.51752%0.515SS..Hα-helixtrans-74.2-42.2169.5-74.3170.7-178.7169.60111.6D1450 L1451 R1457 K1458D1450-K1454 WeakPolarHBondContact O-CG 3.46Å; D1450-K1454 PolarHBondContact O-N 3.46Å; L1451-K1454 CarbonylContact O-C 3.59Å; L1451-K1454 WeakPolarHBondContact O-CB 3.42Å; L1451-K1454 PolarHBondContact O-N 2.93Å; K1454-R1457 PolarHBondContact O-N 3.22Å; K1454-K1458 PolarHBondContact O-N 3.35Å
1455V82Confident84.1Confident76 Ų76112 Ų11246%0.46152%0.521SS..Hα-helixtrans-64.9-43.8176.8171.70000111.2L1451 R1452 R1457 K1458 N1459L1451-V1455 WeakPolarHBondContact O-CG2 3.49Å; L1451-V1455 PolarHBondContact O-N 2.88Å; R1452-V1455 PolarHBondContact O-N 3.28Å; V1455-R1457 VanDerWaalsContact C-N 3.28Å; V1455-R1457 PolarHBondContact O-N 3.03Å; V1455-K1458 PolarHBondContact O-N 2.99Å; V1455-N1459 WeakPolarHBondContact O-CB 3.38Å; V1455-N1459 VanDerWaalsContact O-CG 3.3Å; V1455-N1459 PolarHBondContact O-N 3.48Å; V1455-N1459 PolarHBondContact O-OD1 3.06Å
1456L86.2Confident84.1Confident91 Ų91113 Ų11348%0.47652%0.523SS..Hα-helixtrans-59.3-38.7174.5-73170.8000112.1R1452 Q1460R1452-L1456 HydrophobicContact CG-CD1 4.33Å; R1452-L1456 WeakPolarHBondContact O-CB 3.42Å; R1452-L1456 VanDerWaalsContact O-CG 3.29Å; R1452-L1456 WeakPolarHBondContact O-CG 3.39Å; R1452-L1456 PolarHBondContact O-N 2.97Å; L1456-Q1460 PolarHBondContact O-N 2.66Å
1457R85.5Confident84.2Confident149 Ų149113.6 Ų113.656%0.56253%0.526SS*.Hα-helixtrans-68.3-40.1174-77.7-178.2-81179.5-8113.1Q1453 K1454 V1455 R1461Q1453-R1457 WeakPolarHBondContact O-CG 3.42Å; Q1453-R1457 PolarHBondContact O-N 3.32Å; Q1453-R1457 PolarHBondContact O-NE 2.89Å; K1454-R1457 PolarHBondContact O-N 3.22Å; V1455-R1457 VanDerWaalsContact C-N 3.28Å; V1455-R1457 PolarHBondContact O-N 3.03Å; R1457-R1461 PolarHBondContact O-N 2.68Å
1458K85.1Confident84.3Confident152 Ų152110.4 Ų110.466%0.66151%0.513SS*.Hα-helixtrans-64.8-46.9173.1-81.6-164.8173-171.20111.6K1454 V1455 Q1460 R1461 I1462K1454-K1458 PolarHBondContact O-N 3.35Å; V1455-K1458 PolarHBondContact O-N 2.99Å; K1458-Q1460 VanDerWaalsContact C-N 3.26Å; K1458-Q1460 PolarHBondContact O-N 3.11Å; K1458-R1461 PolarHBondContact O-N 3.28Å; K1458-R1461 VanDerWaalsContact O-N 3.08Å; K1458-I1462 WeakPolarHBondContact O-CG1 3.43Å; K1458-I1462 PolarHBondContact O-N 2.78Å
1459N84Confident84.1Confident69 Ų69108.9 Ų108.937%0.36951%0.509SS..Hα-helixtrans-64.4-29.9179.8-69.42.9000112.4V1455 R1463V1455-N1459 WeakPolarHBondContact O-CB 3.38Å; V1455-N1459 VanDerWaalsContact O-CG 3.3Å; V1455-N1459 PolarHBondContact O-N 3.48Å; V1455-N1459 PolarHBondContact O-OD1 3.06Å; N1459-R1463 WeakPolarHBondContact O-CG 3.49Å; N1459-R1463 PolarHBondContact O-N 3.29Å; N1459-R1463 VanDerWaalsContact O-N 3.12Å
1460Q86Confident83.8Confident84 Ų84106.1 Ų106.139%0.39351%0.508SS..Hα-helixtrans-65.2-51.1169.3-173.557.64200111.2L1456 K1458 I1462 R1463 D1464L1456-Q1460 PolarHBondContact O-N 2.66Å; K1458-Q1460 VanDerWaalsContact C-N 3.26Å; K1458-Q1460 PolarHBondContact O-N 3.11Å; Q1460-I1462 VanDerWaalsContact C-N 3.28Å; Q1460-I1462 PolarHBondContact O-N 3.42Å; Q1460-R1463 PolarHBondContact O-N 3.35Å; Q1460-R1463 VanDerWaalsContact O-N 3.1Å; Q1460-D1464 PolarHBondContact NE2-OD1 2.97Å; Q1460-D1464 PolarHBondContact O-N 3.21Å
1461R83.7Confident83.5Confident192 Ų192109.8 Ų109.873%0.72552%0.515SS*.Hα-helixtrans-58.8-36.7176.3-75.3-174176-174.2-1.9113.3R1457 K1458 D1464 L1465R1457-R1461 PolarHBondContact O-N 2.68Å; K1458-R1461 PolarHBondContact O-N 3.28Å; K1458-R1461 VanDerWaalsContact O-N 3.08Å; R1461-D1464 PolarHBondContact O-N 2.83Å; R1461-L1465 WeakPolarHBondContact O-CB 3.33Å; R1461-L1465 VanDerWaalsContact O-CG 3.31Å; R1461-L1465 WeakPolarHBondContact O-CG 3.24Å; R1461-L1465 PolarHBondContact O-N 3.3Å
1462I80.2Confident82.7Confident81 Ų81110.7 Ų110.742%0.41552%0.52SS..Hα-helixtrans-63-47.3175.2-69.2167000109.8K1458 Q1460 D1464 L1465 E1466K1458-I1462 WeakPolarHBondContact O-CG1 3.43Å; K1458-I1462 PolarHBondContact O-N 2.78Å; Q1460-I1462 VanDerWaalsContact C-N 3.28Å; Q1460-I1462 PolarHBondContact O-N 3.42Å; I1462-D1464 VanDerWaalsContact C-N 3.32Å; I1462-D1464 PolarHBondContact O-N 2.91Å; I1462-L1465 CarbonylContact O-C 3.57Å; I1462-L1465 PolarHBondContact O-N 3.44Å; I1462-E1466 HydrophobicContact CG2-CG 4.18Å; I1462-E1466 WeakPolarHBondContact O-CB 3.34Å; I1462-E1466 VanDerWaalsContact O-CG 3.28Å; I1462-E1466 WeakPolarHBondContact O-CG 3.04Å; I1462-E1466 PolarHBondContact O-N 2.66Å
1463R85.4Confident81.9Confident117 Ų117109.8 Ų109.844%0.44252%0.521SS..Hα-helixtrans-61.6-37.4174.7-74.5-172.1-64-104.62.5113.4N1459 Q1460 E1466 N1467N1459-R1463 WeakPolarHBondContact O-CG 3.49Å; N1459-R1463 PolarHBondContact O-N 3.29Å; N1459-R1463 VanDerWaalsContact O-N 3.12Å; Q1460-R1463 PolarHBondContact O-N 3.35Å; Q1460-R1463 VanDerWaalsContact O-N 3.1Å; R1463-E1466 PolarHBondContact O-N 3.48Å; R1463-N1467 WeakPolarHBondContact O-CB 3.49Å; R1463-N1467 VanDerWaalsContact O-CG 3.29Å; R1463-N1467 PolarHBondContact O-N 2.98Å; R1463-N1467 PolarHBondContact O-ND2 3.37Å
1464D85.8Confident81.1Confident72 Ų72107.9 Ų107.939%0.38552%0.523SS..Hα-helixtrans-64.6-43.6176.9-57.1-29.5000110.2Q1460 R1461 I1462 N1467 D1468Q1460-D1464 PolarHBondContact NE2-OD1 2.97Å; Q1460-D1464 PolarHBondContact O-N 3.21Å; R1461-D1464 PolarHBondContact O-N 2.83Å; I1462-D1464 VanDerWaalsContact C-N 3.32Å; I1462-D1464 PolarHBondContact O-N 2.91Å; D1464-N1467 PolarHBondContact O-N 3.31Å; D1464-D1468 PolarHBondContact O-N 2.74Å
1465L84Confident79.9Confident113 Ų113107.2 Ų107.259%0.59253%0.532SS*.Hα-helixtrans-67.9-39.6174.3-71170000113.2R1461 I1462 N1467 D1468 V1469R1461-L1465 WeakPolarHBondContact O-CB 3.33Å; R1461-L1465 VanDerWaalsContact O-CG 3.31Å; R1461-L1465 WeakPolarHBondContact O-CG 3.24Å; R1461-L1465 PolarHBondContact O-N 3.3Å; I1462-L1465 CarbonylContact O-C 3.57Å; I1462-L1465 PolarHBondContact O-N 3.44Å; L1465-N1467 VanDerWaalsContact C-N 3.3Å; L1465-N1467 PolarHBondContact O-N 2.89Å; L1465-D1468 PolarHBondContact O-N 3.32Å; L1465-V1469 WeakPolarHBondContact O-CB 3.35Å; L1465-V1469 WeakPolarHBondContact O-CG2 3.36Å; L1465-V1469 PolarHBondContact O-N 3.03Å
1466E84.7Confident78.3Confident115 Ų115108.4 Ų108.454%0.53754%0.544SS..Hα-helixtrans-61.5-40174.3-75.6170.2158.700111I1462 R1463 A1470I1462-E1466 HydrophobicContact CG2-CG 4.18Å; I1462-E1466 WeakPolarHBondContact O-CB 3.34Å; I1462-E1466 VanDerWaalsContact O-CG 3.28Å; I1462-E1466 WeakPolarHBondContact O-CG 3.04Å; I1462-E1466 PolarHBondContact O-N 2.66Å; R1463-E1466 PolarHBondContact O-N 3.48Å; E1466-A1470 VanDerWaalsContact O-CB 3.25Å; E1466-A1470 WeakPolarHBondContact O-CB 3.41Å; E1466-A1470 PolarHBondContact O-N 3.34Å
1467N84.7Confident76.1Confident101 Ų101108.8 Ų108.854%0.5455%0.554SS.*Hα-helixtrans-64.5-42.2173-78-41.6000111.9R1463 D1464 L1465 A1470 R1471R1463-N1467 WeakPolarHBondContact O-CB 3.49Å; R1463-N1467 VanDerWaalsContact O-CG 3.29Å; R1463-N1467 PolarHBondContact O-N 2.98Å; R1463-N1467 PolarHBondContact O-ND2 3.37Å; D1464-N1467 PolarHBondContact O-N 3.31Å; L1465-N1467 VanDerWaalsContact C-N 3.3Å; L1465-N1467 PolarHBondContact O-N 2.89Å; N1467-A1470 PolarHBondContact O-N 2.97Å; N1467-R1471 WeakPolarHBondContact O-CB 3.41Å; N1467-R1471 VanDerWaalsContact O-CG 3.23Å; N1467-R1471 WeakPolarHBondContact O-CG 3.44Å; N1467-R1471 PolarHBondContact O-N 3.2Å
1468D83.3Confident74.1Confident71 Ų71110.8 Ų110.838%0.3857%0.567SS.*Hα-helixtrans-69.3-38177.1-79.7-21.8000112.8D1464 L1465 R1471 L1472D1464-D1468 PolarHBondContact O-N 2.74Å; L1465-D1468 PolarHBondContact O-N 3.32Å; D1468-R1471 PolarHBondContact O-N 2.89Å; D1468-R1471 IonicContact OD1-CZ 2.82Å; D1468-R1471 IonicContact OD1-NH1 2.64Å; D1468-R1471 PolarHBondContact OD1-NH1 2.86Å; D1468-L1472 WeakPolarHBondContact O-CB 3.35Å; D1468-L1472 WeakPolarHBondContact O-CG 3.27Å; D1468-L1472 PolarHBondContact O-N 3.42Å
1469V78.8Confident71.8Confident88 Ų88110.8 Ų110.853%0.53358%0.579SS.*Hα-helixtrans-64-41.9170.8170.50000110.8L1465 R1471 L1472 K1473L1465-V1469 WeakPolarHBondContact O-CB 3.35Å; L1465-V1469 WeakPolarHBondContact O-CG2 3.36Å; L1465-V1469 PolarHBondContact O-N 3.03Å; V1469-R1471 VanDerWaalsContact C-N 3.33Å; V1469-R1471 PolarHBondContact O-N 3.44Å; V1469-L1472 PolarHBondContact O-N 3.31Å; V1469-K1473 VanDerWaalsContact O-CB 3.27Å; V1469-K1473 WeakPolarHBondContact O-CB 3.4Å; V1469-K1473 PolarHBondContact O-N 3.04Å
1470A77.3Confident69.2Low59 Ų59114.5 Ų114.549%0.48860%0.599SS.*Hα-helixtrans-62.7-39.7174.800000111.8E1466 N1467 K1473 A1474E1466-A1470 VanDerWaalsContact O-CB 3.25Å; E1466-A1470 WeakPolarHBondContact O-CB 3.41Å; E1466-A1470 PolarHBondContact O-N 3.34Å; N1467-A1470 PolarHBondContact O-N 2.97Å; A1470-K1473 PolarHBondContact O-N 3.45Å; A1470-A1474 WeakPolarHBondContact O-CB 3.41Å; A1470-A1474 PolarHBondContact O-N 3.44Å
1471R77.7Confident66.7Low166 Ų166117.4 Ų117.463%0.62662%0.622SS**Hα-helixtrans-63.9-45173.4-73170.166.3-132.2-4.6112.1N1467 D1468 V1469 A1474 C1475N1467-R1471 WeakPolarHBondContact O-CB 3.41Å; N1467-R1471 VanDerWaalsContact O-CG 3.23Å; N1467-R1471 WeakPolarHBondContact O-CG 3.44Å; N1467-R1471 PolarHBondContact O-N 3.2Å; D1468-R1471 PolarHBondContact O-N 2.89Å; D1468-R1471 IonicContact OD1-CZ 2.82Å; D1468-R1471 IonicContact OD1-NH1 2.64Å; D1468-R1471 PolarHBondContact OD1-NH1 2.86Å; V1469-R1471 VanDerWaalsContact C-N 3.33Å; V1469-R1471 PolarHBondContact O-N 3.44Å; R1471-A1474 PolarHBondContact O-N 3.34Å; R1471-C1475 PolarHBondContact O-N 3.21Å; R1471-C1475 PolarHBondContact O-SG 3.09Å
1472L68.2Low64.3Low121 Ų121110.8 Ų110.863%0.63461%0.613SS**Hα-helixtrans-63.6-42.5176.3-73.3167.8000111.9D1468 V1469 C1475 S1476D1468-L1472 WeakPolarHBondContact O-CB 3.35Å; D1468-L1472 WeakPolarHBondContact O-CG 3.27Å; D1468-L1472 PolarHBondContact O-N 3.42Å; V1469-L1472 PolarHBondContact O-N 3.31Å; L1472-C1475 WeakPolarHBondContact O-CB 3.26Å; L1472-C1475 PolarHBondContact O-N 2.85Å; L1472-C1475 VanDerWaalsContact O-N 3.17Å; L1472-S1476 PolarHBondContact O-N 3.1Å; L1472-S1476 PolarHBondContact O-OG 3.15Å
1473K67.8Low61.9Low168 Ų168112.8 Ų112.873%0.7363%0.634SS**Hα-helixtrans-67.1-37178-156.6167.9-170.3173.50111.7V1469 A1470 C1475 S1476V1469-K1473 VanDerWaalsContact O-CB 3.27Å; V1469-K1473 WeakPolarHBondContact O-CB 3.4Å; V1469-K1473 PolarHBondContact O-N 3.04Å; A1470-K1473 PolarHBondContact O-N 3.45Å; K1473-C1475 VanDerWaalsContact C-N 3.35Å; K1473-S1476 PolarHBondContact O-N 2.81Å
1474A69.9Low59.3Low62 Ų62112.9 Ų112.951%0.51265%0.648SS.*Hα-helixtrans-63.7-37.6170.700000112.4A1470 R1471 S1476 S1477A1470-A1474 WeakPolarHBondContact O-CB 3.41Å; A1470-A1474 PolarHBondContact O-N 3.44Å; R1471-A1474 PolarHBondContact O-N 3.34Å; A1474-S1476 VanDerWaalsContact C-N 3.32Å; A1474-S1476 PolarHBondContact O-N 3.3Å; A1474-S1477 PolarHBondContact O-N 2.82Å; A1474-S1477 PolarHBondContact O-OG 3.36Å
1475C57.4Low56.6Low105 Ų105119.3 Ų119.371%0.70968%0.676SS**Hα-helixtrans-68.9-25.9177.9-66.60000113.7R1471 L1472 K1473 S1477R1471-C1475 PolarHBondContact O-N 3.21Å; R1471-C1475 PolarHBondContact O-SG 3.09Å; L1472-C1475 WeakPolarHBondContact O-CB 3.26Å; L1472-C1475 PolarHBondContact O-N 2.85Å; L1472-C1475 VanDerWaalsContact O-N 3.17Å; K1473-C1475 VanDerWaalsContact C-N 3.35Å; C1475-S1477 PolarHBondContact O-N 3.36Å
1476S48.4Very low54Low101 Ų101119 Ų11971%0.70667%0.673SS**THydrogen-bonded Turntrans-77.9-1.3179.5-60.90000114.4L1472 K1473 A1474 K1478L1472-S1476 PolarHBondContact O-N 3.1Å; L1472-S1476 PolarHBondContact O-OG 3.15Å; K1473-S1476 PolarHBondContact O-N 2.81Å; A1474-S1476 VanDerWaalsContact C-N 3.32Å; A1474-S1476 PolarHBondContact O-N 3.3Å; S1476-K1478 PolarHBondContact O-N 2.88Å; S1476-K1478 VanDerWaalsContact O-N 3.12Å
1477S41.2Very low51.3Low99 Ų99121.5 Ų121.569%0.69269%0.69SS**  trans-7916.5-174.363.50000115.9A1474 C1475A1474-S1477 PolarHBondContact O-N 2.82Å; A1474-S1477 PolarHBondContact O-OG 3.36Å; C1475-S1477 PolarHBondContact O-N 3.36Å
1478K42.9Very low48.8Very low191 Ų191123 Ų12383%0.8370%0.698SS**  trans-12980.9178.6-75.4-176.3177.4176.60112.8S1476S1476-K1478 PolarHBondContact O-N 2.88Å; S1476-K1478 VanDerWaalsContact O-N 3.12Å
1479V36.2Very low46.2Very low151 Ų151124.6 Ų124.692%0.91572%0.715SS**  trans-171.7140.3141.21430000106.7
1480N30.2Very low43.7Very low148 Ų148126.3 Ų126.379%0.79173%0.731SS**  trans-134.1112.6-163167.233.3000111.2
1481V33.8Very low41.5Very low145 Ų145126.8 Ų126.888%0.87974%0.735SS**  trans-152.7113.1147.6-177.20000110.6
1482G32.4Very low39.1Very low52 Ų52127.8 Ų127.854%0.53674%0.739SS.*  52.878.7127.800000121.7
1483S29Very low37.3Very low123 Ų123126.7 Ų126.786%0.8673%0.733SS**  33.58813061.90000120
1484V30.9Very low35.5Very low120 Ų120125.5 Ų125.573%0.72773%0.734SS**  trans-129.5125.8139.5178.90000105.4I1486V1484-I1486 HydrophobicContact CB-CG1 4.47Å; V1484-I1486 HydrophobicContact CG1-CG1 4.23Å; V1484-I1486 PolarHBondContact O-N 3.48Å
1485Q29.7Very low33.5Very low207 Ų207127.4 Ų127.497%0.96774%0.743SS**  trans-78.880.5179.8-98.6-178.7-34.500110.3
1486I29.2Very low32.2Very low105 Ų105131.2 Ų131.254%0.53875%0.751SS.*  trans-73138.3167.2-58.3158.1000108.2V1484 D1488V1484-I1486 HydrophobicContact CB-CG1 4.47Å; V1484-I1486 HydrophobicContact CG1-CG1 4.23Å; V1484-I1486 PolarHBondContact O-N 3.48Å; I1486-D1488 VanDerWaalsContact CG2-CG 3.47Å; I1486-D1488 WeakPolarHBondContact CG2-OD1 3.33Å; I1486-D1488 WeakPolarHBondContact CG2-OD2 3.48Å
1487N28.9Very low31.4Very low168 Ų168131.4 Ų131.490%0.89875%0.749SS**  trans-151.484.1154-96.9-16.1000107.5
1488D32.4Very low30.7Very low133 Ų133134.4 Ų134.471%0.71175%0.752SS**  trans-55.5139.9172.1-47.6-57.9000109.4I1486I1486-D1488 VanDerWaalsContact CG2-CG 3.47Å; I1486-D1488 WeakPolarHBondContact CG2-OD1 3.33Å; I1486-D1488 WeakPolarHBondContact CG2-OD2 3.48Å
1489S27.6Very low30.1Very low105 Ų105132.3 Ų132.373%0.73475%0.745SS**  58.699.758-66.70000114.8
1490S27.7Very low29.8Very low124 Ų124137.4 Ų137.487%0.86775%0.748SS**  trans72158.3147.5-70.20000121.3
1491A30.1Very low29.9Very low68 Ų68141 Ų14156%0.56275%0.751SS**  trans82.2104.4158.300000116.4I1525A1491-I1525 HydrophobicContact CB-CD1 3.77Å; A1491-I1525 HydrophobicContact CB-CG2 4.22Å
1492R28.1Very low29.8Very low188 Ų188137.4 Ų137.471%0.70974%0.743SS**  78.3138.470.5-93.5-172.2175.4175.8-0.4114.3I1525R1492-I1525 HydrophobicContact CB-CG2 3.56Å; R1492-I1525 HydrophobicContact CG-CG2 4.33Å; R1492-I1525 WeakPolarHBondContact O-CD1 3.25Å
1493L28.7Very low29.7Very low98 Ų98139.3 Ų139.351%0.51375%0.747SS.*  trans94.5133.2150.2-74.5-154.8000121.4I1525L1493-I1525 HydrophobicContact CB-CG1 4.17Å; L1493-I1525 HydrophobicContact CD1-CB 4.4Å; L1493-I1525 HydrophobicContact CD1-CG1 4.34Å; L1493-I1525 HydrophobicContact CD1-CG2 4.39Å; L1493-I1525 HydrophobicContact CG-CG1 4.3Å; L1493-I1525 HydrophobicContact CG-CG2 4.17Å
1494L30.7Very low29.8Very low142 Ų142141.7 Ų141.774%0.74374%0.744SS**  trans79.1101155.8-61.5154.3000114.6
1495S28.4Very low29.8Very low102 Ų102139 Ų13971%0.71374%0.742SS**  59.9106.466.5-50.50000111.4
1496E29.2Very low29.9Very low186 Ų186137.9 Ų137.987%0.86974%0.736SS**  -161.816298.1-101.6-161.9148.100111.5
1497P31.8Very low30Very low104 Ų104139.7 Ų139.768%0.67575%0.746SS**  trans-95.4-165.2-163.140.3-38.9000113.1
1498E26.8Very low30Very low162 Ų162140.5 Ų140.576%0.75774%0.744SS**  trans6397.8154.4-71.7-158.9174.200118.9
1499Q30.7Very low29.9Very low147 Ų147138.9 Ų138.969%0.68774%0.744SS**  177.8128.694.8-97.8165.62300113.2R1501Q1499-R1501 HydrophobicContact CB-CG 4.43Å; Q1499-R1501 PolarHBondContact O-N 2.84Å; Q1499-R1501 VanDerWaalsContact O-N 3.09Å
1500R30.2Very low30Very low258 Ų258142.3 Ų142.397%0.97475%0.746SS**  trans-71.296.2158.8-73.1-175.4174.4-170.60.3109.1
1501R30.9Very low30.2Very low225 Ų225142.3 Ų142.385%0.84974%0.736SS**  trans-82.2136.9175.8-80.5-168.1175.6-156.20.5113.6Q1499Q1499-R1501 HydrophobicContact CB-CG 4.43Å; Q1499-R1501 PolarHBondContact O-N 2.84Å; Q1499-R1501 VanDerWaalsContact O-N 3.09Å
1502G32.9Very low30.2Very low69 Ų69147.2 Ų147.271%0.71175%0.747SS**  trans115114.4159.300000113.4
1503C30.2Very low30.4Very low92 Ų92143.3 Ų143.362%0.62274%0.744SS**  cis-146.1173-3.8-79.30000107.2
1504E31Very low30.6Very low172 Ų172145.6 Ų145.680%0.80476%0.756SS**  cis-153.6165.88.5-120.9130-137.800105.1
1505G31.2Very low30.5Very low65 Ų65142.8 Ų142.867%0.6775%0.754SS**  cis127.18014.500000111.2
1506H30.4Very low30.8Very low183 Ų183145 Ų14585%0.84776%0.758SS**  trans-139.9145.2158-145.549.5000112.9
1507L31.6Very low30.9Very low142 Ų142144.8 Ų144.874%0.74376%0.757SS**  trans-89.2156.7-175.1-72.271.9000110
1508E29.3Very low31Very low185 Ų185144.6 Ų144.686%0.86476%0.756SS**  -179.3171.6100.9-96.4-173.2171.900112.3
1509S30.7Very low31.3Very low100 Ų100143.6 Ų143.670%0.69976%0.756SS**  trans88.285.2166.2-171.40000120.7
1510F29.9Very low31.2Very low177 Ų177147.3 Ų147.378%0.77676%0.763SS**  72.3106.9127.2-69.4-74.7000122.2
1511D31.8Very low31.2Very low124 Ų124140.8 Ų140.866%0.66375%0.752SS**  70.7103.4118.3-71.84.6000123.8
1512Q30.5Very low31Very low171 Ų171136 Ų13680%0.79975%0.751SS**  91.3148.5103.9-146.1-173.233.700120.3
1513V32.6Very low30.7Very low106 Ų106138 Ų13864%0.64275%0.754SS**  trans93.894.5156.8-168.30000119.4
1514N31.1Very low30.5Very low145 Ų145138.4 Ų138.478%0.77576%0.758SS**  trans65.4107.3131.3-61.9-3.3000123.5
1515A29.7Very low30.6Very low84 Ų84133 Ų13369%0.69474%0.735SS**  75.1156.298.800000122.6
1516D34.7Very low30.2Very low147 Ų147135.3 Ų135.379%0.78674%0.735SS**  trans83.9100.6157.9-69.7-14.5000121.3
1517Q30.3Very low30.1Very low183 Ų183130.7 Ų130.786%0.85573%0.729SS**  105149.3129.1-73.3-162.27.900120.2
1518P34.5Very low29.8Very low100 Ų100129 Ų12965%0.64973%0.729SS**  trans-121.3-174-149.443.5-29.7000113.9
1519N33.9Very low29.7Very low141 Ų141126.8 Ų126.875%0.75472%0.722SS**  trans117.5118.7170.2-66.3-53.7000110.8
1520R27.7Very low29.6Very low224 Ų224128.8 Ų128.885%0.84572%0.724SS**  cis91.2137.348.5-170.9-169.6-157.9-152.35.3110.6
1521V30Very low29.4Very low122 Ų122132.2 Ų132.274%0.73973%0.732SS**  trans77.2106-176.8-164.10000111.8
1522C26.5Very low29.5Very low123 Ų123131.2 Ų131.283%0.83173%0.734SS**  cis80.383.246.5-54.20000114.7
1523S27.7Very low29.3Very low112 Ų112129.2 Ų129.278%0.78374%0.736SS**  trans-168.4108.2157.650.50000107.8
1524S25.6Very low29.1Very low100 Ų100127.7 Ų127.770%0.69973%0.734SS**  69.594.293.4-159.90000112
1525I32.3Very low29Very low60 Ų60127.1 Ų127.131%0.30874%0.736SS.*  85.369.768.7-61.9159.1000112.7A1491 R1492 L1493A1491-I1525 HydrophobicContact CB-CD1 3.77Å; A1491-I1525 HydrophobicContact CB-CG2 4.22Å; R1492-I1525 HydrophobicContact CB-CG2 3.56Å; R1492-I1525 HydrophobicContact CG-CG2 4.33Å; R1492-I1525 WeakPolarHBondContact O-CD1 3.25Å; L1493-I1525 HydrophobicContact CB-CG1 4.17Å; L1493-I1525 HydrophobicContact CD1-CB 4.4Å; L1493-I1525 HydrophobicContact CD1-CG1 4.34Å; L1493-I1525 HydrophobicContact CD1-CG2 4.39Å; L1493-I1525 HydrophobicContact CG-CG1 4.3Å; L1493-I1525 HydrophobicContact CG-CG2 4.17Å
1526T24.5Very low29Very low112 Ų112128.7 Ų128.769%0.68774%0.739SS**  trans-166.7172.6154.3-3.80000109.8
1527A26.4Very low28.6Very low87 Ų87132.2 Ų132.272%0.71974%0.741SS**  trans-58.2142174.900000112.4
1528S26.9Very low28.7Very low105 Ų105129 Ų12973%0.73473%0.73SS**  trans-157110.3154.7-82.90000108.2
1529L27.1Very low28.4Very low139 Ų139130.4 Ų130.473%0.72873%0.732SS**  74.811873.5-70.5164.3000112.1
1530L28.1Very low28.5Very low142 Ų142129.1 Ų129.174%0.74373%0.734SS**  trans52.2114.2133.7-55172.9000118.1
1531R26.5Very low28.8Very low250 Ų250124 Ų12494%0.94373%0.728SS**  -144109.8125.5-129.5169.2-173.9161.43.2113.4
1532C32.2Very low28.8Very low103 Ų103125.9 Ų125.970%0.69673%0.729SS**  trans-58.8165.8165-47.80000111
1533P28.3Very low29Very low129 Ų129125.6 Ų125.684%0.83872%0.719SS**  -137.7161.99541.4-30.2000111.8
1534A28Very low29.4Very low74 Ų74127.9 Ų127.961%0.61272%0.721SS**  cis-161.7146.618.300000113
1535T27.5Very low29.6Very low133 Ų133128.4 Ų128.482%0.81672%0.716SS**  trans57.5160.2139.956.80000121.9
1536P30.4Very low29.8Very low116 Ų116131.9 Ų131.975%0.75374%0.735SS**  cis-118.7148.8-9.415.59000112.9
1537R26.3Very low30.1Very low221 Ų221134.9 Ų134.983%0.83474%0.741SS**  100.6139.655.3-161.8-150.5170.3146.31.1112.1
1538N32.6Very low30.4Very low116 Ų116138.3 Ų138.362%0.6275%0.747SS**  trans78.8142.5175.4-57.88.7000116.5
1539D28.9Very low30.4Very low130 Ų130137.4 Ų137.470%0.69575%0.746SS**  cis-165.9163.8-16.8-92.8-34.2000109
1540S35Very low30.5Very low113 Ų113137.5 Ų137.579%0.7975%0.747SS**  trans64.7142.6171.563.40000118.5
1541T35Very low30.6Very low116 Ų116141 Ų14171%0.71275%0.752SS**  cis-154.9128.9-8.613.50000109.7
1542E28.8Very low30.5Very low163 Ų163135.7 Ų135.776%0.76275%0.747SS**  46.3139.6120-63.1-172.2143.800124
1543N31.6Very low30.4Very low116 Ų116136.1 Ų136.162%0.6275%0.746SS**  trans71.597.3145.6-65-32.3000120.3
1544L36.4Very low30.2Very low160 Ų160134.5 Ų134.584%0.83874%0.738SS**  trans16379.5134.1-87.8165000105.5
1545L29.6Very low30.2Very low112 Ų112136.6 Ų136.659%0.58675%0.747SS**  cis54.5112.846.5-95.9169.6000112.6
1546D36.7Very low30.2Very low133 Ų133137 Ų13771%0.71174%0.744SS**  trans52.172146.3-56.7-7.1000118.3
1547Q29.3Very low29.9Very low174 Ų174136.5 Ų136.581%0.81374%0.743SS**  trans-164.7144150.1-107.1139.294.200111.4
1548L32.9Very low30.1Very low159 Ų159132.3 Ų132.383%0.83274%0.742SS**  trans77.925.3173.5-47.7-178.4000117.9
1549A27Very low29.8Very low87 Ų87131 Ų13172%0.71974%0.742SS**  -68.7155.2120.100000108.2
1550D29Very low29.8Very low140 Ų140132.3 Ų132.375%0.74975%0.746SS**  trans70.2101.3-169.5-53.2-27.9000114.9
1551Y30.3Very low29.5Very low216 Ų216132.9 Ų132.985%0.84774%0.74SS**  -168.682.7119-105.9-67.7000112.1V1553Y1551-V1553 HydrophobicContact CD1-CG2 4.17Å
1552T25.1Very low29.4Very low138 Ų138132.9 Ų132.985%0.84774%0.736SS**  trans-76.9108.5162.446.90000110.9
1553V29.6Very low29.7Very low112 Ų112130.2 Ų130.268%0.67973%0.731SS**  trans-151.6102.8164.2-179.40000105.9Y1551Y1551-V1553 HydrophobicContact CD1-CG2 4.17Å
1554S24.5Very low29.7Very low96 Ų96132.5 Ų132.567%0.67174%0.737SS**  58.791.256.7-171.80000113.6
1555C28.5Very low29.5Very low118 Ų118131.3 Ų131.380%0.79773%0.732SS**  trans-174.194.1147.9-90.80000104.8
1556D26.1Very low29.6Very low140 Ų140131.3 Ų131.375%0.74974%0.739SS**  50.2113.383-73.4-32.2000113.4
1557S25.7Very low29.3Very low106 Ų106131.3 Ų131.374%0.74174%0.743SS**  trans27.2129.6145.263.70000119.3
1558V29.8Very low29.4Very low134 Ų134127.4 Ų127.481%0.81274%0.735SS**  -165.8123.2108.8139.60000110.3
1559S25.1Very low29.2Very low87 Ų87125 Ų12561%0.60873%0.731SS**  trans-0.5130.6140.6173.70000117.2
1560M30.4Very low29.5Very low158 Ų158128.2 Ų128.278%0.77874%0.735SS**  175.7115.8110.7-91.3-56.8-169.200110.7
1561D28.8Very low30Very low126 Ų126127.8 Ų127.867%0.67473%0.733SS**  71.5136.9112.9-141.828.2000120.3
1562N33.1Very low29.9Very low115 Ų115122.5 Ų122.562%0.61572%0.719SS**  trans95.897.2153.7-58.5-57.5000122
1563T34.2Very low30.1Very low108 Ų108124.3 Ų124.366%0.66372%0.718SS**  76.2129.4116.763.30000121.9
1564H32.2Very low30.2Very low163 Ų163127.3 Ų127.376%0.75572%0.724SS**  43.4133.5126.1-67.3-80.7000119.5
1565D30.8Very low30.6Very low135 Ų135129.9 Ų129.972%0.72273%0.73SS**  cis-155.4158.814.6-92.6-41.7000110.2
1566P32.9Very low30.6Very low113 Ų113128.3 Ų128.373%0.73473%0.726SS**  trans-85.7168.1168.637-34.8000112.2
1567V30.7Very low30.9Very low133 Ų133127.8 Ų127.881%0.80673%0.727SS**  trans171.9130.7136.9147.60000114.2
1568S31.1Very low31.1Very low92 Ų92127.9 Ų127.964%0.64372%0.723SS**  trans54.9107.9154.371.60000123.6
1569S28Very low31.2Very low107 Ų107129.9 Ų129.975%0.74872%0.722SS**  22.1129.1120620000121.2
1570I34.8Very low31.7Very low156 Ų156133.2 Ų133.280%0.873%0.727SS**  trans-153.7124.8144.6-93138.1000109.5
1571N37.8Very low31.9Very low131 Ų131132 Ų13270%0.70172%0.724SS**  trans27.7127.7150.6-48.9-4.7000122.5
1572N28.2Very low32.5Very low104 Ų104134 Ų13456%0.55673%0.734SS**  51129.4122.5-57.844000121.3
1573E29.2Very low32.5Very low177 Ų177132.1 Ų132.183%0.82774%0.742SS**  trans29.792.9130.3-56178.7126.300118.4
1574E31.4Very low32.8Very low174 Ų174130.5 Ų130.581%0.81374%0.735SS**  -166.1153.3128.4-120.3-174.4152.600113.1
1575L34.6Very low33.5Very low150 Ų150129.5 Ų129.579%0.78574%0.735SS**  trans69.687.3155.9-61.8163.3000118.3
1576A27.4Very low34.1Very low86 Ų86133.1 Ų133.171%0.71174%0.738SS**  trans-51.3170138.800000113.4
1577V32Very low34.9Very low128 Ų128131.3 Ų131.378%0.77673%0.727SS**  trans94136.6163.4-165.70000116.8
1578T30.5Very low36.2Very low108 Ų108130.9 Ų130.966%0.66372%0.717SS**  trans78.5127.7-17977.60000114.6
1579F32.5Very low37.6Very low177 Ų177131.8 Ų131.878%0.77671%0.714SS**  cis-137.3132.610.5-75-92000110.2
1580H34.6Very low38.5Very low157 Ų157131.5 Ų131.573%0.72770%0.702SS**  74.4119.581.1-111.2-49.6000117.2
1581N35.8Very low39.9Very low133 Ų133129.3 Ų129.371%0.71169%0.692SS**  trans61.1123.8157.8-52.4-12.2000117.7
1582D40.1Very low41.4Very low166 Ų166130.3 Ų130.389%0.88869%0.69SS**  cis-146.4160.446.5-107-33.3000114.2
1583G34.2Very low42.9Very low76 Ų76130.3 Ų130.378%0.78469%0.69SS**  trans-91.1141.4-15300000118.8
1584C40Very low44.7Very low74 Ų74126.4 Ų126.450%0.567%0.674SS.*  trans-100.5116.7161.7179.80000110.9R1586 C1587C1584-R1586 PolarHBondContact O-N 3.43Å; C1584-C1587 PolarHBondContact O-N 2.82Å; C1584-C1587 VanDerWaalsContact O-N 3.14Å
1585N47.5Very low46.5Very low142 Ų142122 Ų12276%0.75966%0.661SS**Hα-helixtrans-59.2-21.7179.9-75.7-30.9000114H1588N1585-H1588 PolarHBondContact O-N 2.84Å
1586R42.4Very low48.1Very low212 Ų212121.3 Ų121.380%0.865%0.653SS**Hα-helixtrans-66.9-40.2178.2-146174.4-165.4171.92.6111.5C1584 H1588 N1589 M1590C1584-R1586 PolarHBondContact O-N 3.43Å; R1586-H1588 VanDerWaalsContact C-N 3.33Å; R1586-H1588 PolarHBondContact O-N 3.37Å; R1586-N1589 PolarHBondContact O-N 3.3Å; R1586-M1590 PolarHBondContact O-N 3.28Å
1587C51.2Low49.8Very low74 Ų74122.5 Ų122.550%0.565%0.647SS.*Hα-helixtrans-66.7-34.1177.5-540000112C1584 N1589 M1590 N1591C1584-C1587 PolarHBondContact O-N 2.82Å; C1584-C1587 VanDerWaalsContact O-N 3.14Å; C1587-N1589 VanDerWaalsContact C-N 3.35Å; C1587-N1589 PolarHBondContact O-N 2.83Å; C1587-M1590 PolarHBondContact O-N 2.91Å; C1587-N1591 PolarHBondContact O-N 2.64Å
1588H56.9Low51.7Low125 Ų125122.5 Ų122.558%0.57964%0.638SS**Hα-helixtrans-68.3-32.2179.8-160.473.2000113N1585 R1586 K1592N1585-H1588 PolarHBondContact O-N 2.84Å; R1586-H1588 VanDerWaalsContact C-N 3.33Å; R1586-H1588 PolarHBondContact O-N 3.37Å; H1588-K1592 PolarHBondContact O-N 3.41Å
1589N59.9Low53.9Low110 Ų110120.2 Ų120.259%0.58863%0.627SS**Hα-helixtrans-75.1-36.9174.1-77.2-15.7000112.4R1586 C1587 K1592 L1593R1586-N1589 PolarHBondContact O-N 3.3Å; C1587-N1589 VanDerWaalsContact C-N 3.35Å; C1587-N1589 PolarHBondContact O-N 2.83Å; N1589-K1592 PolarHBondContact O-N 3.46Å; N1589-L1593 PolarHBondContact O-N 3.16Å
1590M48.8Very low55.6Low101 Ų101115.1 Ų115.150%0.49861%0.61SS.*Hα-helixtrans-64.9-41.4172.3-87.7-159.371.500112.6R1586 C1587 K1592 L1593 L1594R1586-M1590 PolarHBondContact O-N 3.28Å; C1587-M1590 PolarHBondContact O-N 2.91Å; M1590-K1592 PolarHBondContact O-N 3.44Å; M1590-K1592 VanDerWaalsContact O-N 3.1Å; M1590-L1593 PolarHBondContact O-N 2.68Å; M1590-L1594 PolarHBondContact O-N 2.79Å
1591N62.2Low57.1Low110 Ų110111.2 Ų111.259%0.58860%0.597SS**Hα-helixtrans-64.8-13.7175.6-78.7-15.9000114C1587 P1595C1587-N1591 PolarHBondContact O-N 2.64Å; N1591-P1595 WeakPolarHBondContact O-CD 3.45Å
1592K70.1Confident59Low152 Ų152108 Ų10866%0.66158%0.582SS**Hα-helixtrans-87-30.7170.6-115.6-178.5179.8179.90113.5H1588 N1589 M1590H1588-K1592 PolarHBondContact O-N 3.41Å; N1589-K1592 PolarHBondContact O-N 3.46Å; M1590-K1592 PolarHBondContact O-N 3.44Å; M1590-K1592 VanDerWaalsContact O-N 3.1Å
1593L60.7Low60.5Low105 Ų105106.2 Ų106.255%0.5557%0.569SS.*Hα-helixtrans-78.8-29.8175-80.6158.5000112.1N1589 M1590 E1596 L1597N1589-L1593 PolarHBondContact O-N 3.16Å; M1590-L1593 PolarHBondContact O-N 2.68Å; L1593-E1596 PolarHBondContact O-N 3.11Å; L1593-L1597 WeakPolarHBondContact O-CB 3.48Å; L1593-L1597 PolarHBondContact O-N 3.23Å
1594L66Low61.9Low94 Ų94107.6 Ų107.649%0.49256%0.558SS.*Hα-helixtrans-54.9-45.4-178-134.179.1000114.2M1590 L1597 H1598M1590-L1594 PolarHBondContact O-N 2.79Å; L1594-L1597 PolarHBondContact O-N 3.25Å; L1594-H1598 VanDerWaalsContact O-CB 3.3Å; L1594-H1598 WeakPolarHBondContact O-CB 3.41Å; L1594-H1598 PolarHBondContact O-N 2.81Å
1595P69.5Low63.2Low83 Ų83111.2 Ų111.254%0.53957%0.565SS.*Hα-helixtrans-71.4-33.6178.2-19.533.7000113.5N1591 S1599N1591-P1595 WeakPolarHBondContact O-CD 3.45Å; P1595-S1599 VanDerWaalsContact O-CB 3.31Å; P1595-S1599 WeakPolarHBondContact O-CB 3.24Å; P1595-S1599 PolarHBondContact O-N 3.1Å
1596E68.9Low64.6Low135 Ų135111.7 Ų111.763%0.63156%0.56SS**Hα-helixtrans-68.1-44.8173.6-73.2-173.3152.800110.4L1593 H1598 S1599 T1600L1593-E1596 PolarHBondContact O-N 3.11Å; E1596-H1598 PolarHBondContact O-N 2.96Å; E1596-S1599 PolarHBondContact O-N 2.89Å; E1596-T1600 WeakPolarHBondContact O-CG2 3.34Å; E1596-T1600 PolarHBondContact O-N 2.94Å; E1596-T1600 PolarHBondContact O-OG1 3.4Å
1597L62.8Low66.1Low111 Ų111106.5 Ų106.558%0.58155%0.548SS*.Hα-helixtrans-58.5-49.3174.1-162.474.4000110.2L1593 L1594 S1599 T1600 T1601L1593-L1597 WeakPolarHBondContact O-CB 3.48Å; L1593-L1597 PolarHBondContact O-N 3.23Å; L1594-L1597 PolarHBondContact O-N 3.25Å; L1597-S1599 VanDerWaalsContact C-N 3.34Å; L1597-S1599 PolarHBondContact O-N 3.49Å; L1597-T1600 WeakPolarHBondContact CA-OG1 3.47Å; L1597-T1600 CarbonylContact O-C 3.58Å; L1597-T1600 PolarHBondContact O-N 2.88Å; L1597-T1600 VanDerWaalsContact O-N 3.13Å; L1597-T1600 PolarHBondContact O-OG1 3.23Å; L1597-T1601 WeakPolarHBondContact O-CB 3.22Å; L1597-T1601 PolarHBondContact O-N 3.46Å; L1597-T1601 PolarHBondContact O-OG1 3.45Å
1598H71.7Confident66.6Low127 Ų127107.5 Ų107.559%0.58855%0.547SS*.Hα-helixtrans-61.1-39.3176.9-163.683.3000112.5L1594 E1596 T1601 V1602L1594-H1598 VanDerWaalsContact O-CB 3.3Å; L1594-H1598 WeakPolarHBondContact O-CB 3.41Å; L1594-H1598 PolarHBondContact O-N 2.81Å; E1596-H1598 PolarHBondContact O-N 2.96Å; H1598-T1601 PolarHBondContact O-N 2.77Å; H1598-V1602 WeakPolarHBondContact O-CB 3.25Å; H1598-V1602 VanDerWaalsContact O-CG2 3.32Å; H1598-V1602 WeakPolarHBondContact O-CG2 3.38Å; H1598-V1602 PolarHBondContact O-N 3.46Å
1599S75.2Confident67.2Low61 Ų61105.6 Ų105.643%0.42755%0.545SS..Hα-helixtrans-64.1-43.4173.2179.50000112P1595 E1596 L1597 V1602 Q1603P1595-S1599 VanDerWaalsContact O-CB 3.31Å; P1595-S1599 WeakPolarHBondContact O-CB 3.24Å; P1595-S1599 PolarHBondContact O-N 3.1Å; E1596-S1599 PolarHBondContact O-N 2.89Å; L1597-S1599 VanDerWaalsContact C-N 3.34Å; L1597-S1599 PolarHBondContact O-N 3.49Å; S1599-V1602 PolarHBondContact O-N 2.96Å; S1599-Q1603 WeakPolarHBondContact O-CG 3.46Å; S1599-Q1603 PolarHBondContact O-N 3.4Å
1600T68.4Low68Low70 Ų70105.3 Ų105.343%0.42954%0.542SS..Hα-helixtrans-66.2-38.1174.755.80000112.1E1596 L1597 Q1603 L1604E1596-T1600 WeakPolarHBondContact O-CG2 3.34Å; E1596-T1600 PolarHBondContact O-N 2.94Å; E1596-T1600 PolarHBondContact O-OG1 3.4Å; L1597-T1600 WeakPolarHBondContact CA-OG1 3.47Å; L1597-T1600 CarbonylContact O-C 3.58Å; L1597-T1600 PolarHBondContact O-N 2.88Å; L1597-T1600 VanDerWaalsContact O-N 3.13Å; L1597-T1600 PolarHBondContact O-OG1 3.23Å; T1600-Q1603 PolarHBondContact O-N 2.96Å; T1600-L1604 VanDerWaalsContact O-CB 3.32Å; T1600-L1604 WeakPolarHBondContact O-CB 3.46Å; T1600-L1604 WeakPolarHBondContact O-CG 3.32Å; T1600-L1604 PolarHBondContact O-N 2.75Å
1601T66.3Low68.7Low74 Ų74104.4 Ų104.445%0.45454%0.54SS..Hα-helixtrans-65-41.1174.4-58.10000111.3L1597 H1598 L1604 K1605L1597-T1601 WeakPolarHBondContact O-CB 3.22Å; L1597-T1601 PolarHBondContact O-N 3.46Å; L1597-T1601 PolarHBondContact O-OG1 3.45Å; H1598-T1601 PolarHBondContact O-N 2.77Å; T1601-L1604 PolarHBondContact O-N 2.88Å; T1601-K1605 VanDerWaalsContact O-CB 3.26Å; T1601-K1605 WeakPolarHBondContact O-CB 3.45Å; T1601-K1605 PolarHBondContact O-N 3.31Å
1602V77.3Confident68.5Low65 Ų65103.3 Ų103.339%0.39453%0.533SS..Hα-helixtrans-68.1-37.4175.1169.20000111.8H1598 S1599 K1606H1598-V1602 WeakPolarHBondContact O-CB 3.25Å; H1598-V1602 VanDerWaalsContact O-CG2 3.32Å; H1598-V1602 WeakPolarHBondContact O-CG2 3.38Å; H1598-V1602 PolarHBondContact O-N 3.46Å; S1599-V1602 PolarHBondContact O-N 2.96Å; V1602-K1606 PolarHBondContact O-N 2.93Å
1603Q70.9Confident68.4Low130 Ų13098.8 Ų98.861%0.60752%0.521SS*.Hα-helixtrans-67.3-45173.2-73.4-168.918.500111.8S1599 T1600 K1605 K1606 L1607S1599-Q1603 WeakPolarHBondContact O-CG 3.46Å; S1599-Q1603 PolarHBondContact O-N 3.4Å; T1600-Q1603 PolarHBondContact O-N 2.96Å; Q1603-K1605 PolarHBondContact O-N 2.86Å; Q1603-K1606 PolarHBondContact O-N 3.39Å; Q1603-L1607 WeakPolarHBondContact O-CB 3.44Å; Q1603-L1607 PolarHBondContact O-N 3.48Å
1604L62.9Low68.7Low104 Ų10498 Ų9855%0.54552%0.517SS..Hα-helixtrans-58.7-44.8172.5-83.1161.4000111.4T1600 T1601 K1606 L1607 I1608T1600-L1604 VanDerWaalsContact O-CB 3.32Å; T1600-L1604 WeakPolarHBondContact O-CB 3.46Å; T1600-L1604 WeakPolarHBondContact O-CG 3.32Å; T1600-L1604 PolarHBondContact O-N 2.75Å; T1601-L1604 PolarHBondContact O-N 2.88Å; L1604-K1606 VanDerWaalsContact C-N 3.33Å; L1604-K1606 PolarHBondContact O-N 2.96Å; L1604-L1607 PolarHBondContact O-N 2.94Å; L1604-L1607 VanDerWaalsContact O-N 3.11Å; L1604-I1608 WeakPolarHBondContact O-CB 3.29Å; L1604-I1608 VanDerWaalsContact O-CG1 3.24Å; L1604-I1608 WeakPolarHBondContact O-CG1 3.42Å; L1604-I1608 PolarHBondContact O-N 3.43Å
1605K68.7Low68.2Low150 Ų15099.4 Ų99.465%0.65252%0.521SS*.Hα-helixtrans-62.1-40.4177.5-151.7172.3-170.2-179.60111.2T1601 Q1603 T1609T1601-K1605 VanDerWaalsContact O-CB 3.26Å; T1601-K1605 WeakPolarHBondContact O-CB 3.45Å; T1601-K1605 PolarHBondContact O-N 3.31Å; Q1603-K1605 PolarHBondContact O-N 2.86Å; K1605-T1609 WeakPolarHBondContact O-CB 3.49Å; K1605-T1609 PolarHBondContact O-N 3.34Å; K1605-T1609 PolarHBondContact O-OG1 2.85Å
1606K76.6Confident67.6Low153 Ų153100.3 Ų100.367%0.66552%0.522SS*.Hα-helixtrans-64.4-40171.5-80.2-175.2175.4-177.60113.1V1602 Q1603 L1604 T1609 L1610V1602-K1606 PolarHBondContact O-N 2.93Å; Q1603-K1606 PolarHBondContact O-N 3.39Å; L1604-K1606 VanDerWaalsContact C-N 3.33Å; L1604-K1606 PolarHBondContact O-N 2.96Å; K1606-T1609 PolarHBondContact O-N 2.93Å; K1606-L1610 WeakPolarHBondContact O-CB 3.5Å; K1606-L1610 PolarHBondContact O-N 3.44Å
1607L72.4Confident67.6Low102 Ų10297.2 Ų97.253%0.53452%0.515SS..Hα-helixtrans-71.2-38.9-179-138.8148.8000111.3Q1603 L1604 L1610 N1611Q1603-L1607 WeakPolarHBondContact O-CB 3.44Å; Q1603-L1607 PolarHBondContact O-N 3.48Å; L1604-L1607 PolarHBondContact O-N 2.94Å; L1604-L1607 VanDerWaalsContact O-N 3.11Å; L1607-L1610 PolarHBondContact O-N 3.05Å; L1607-N1611 WeakPolarHBondContact O-CB 3.21Å; L1607-N1611 VanDerWaalsContact O-CG 3.28Å; L1607-N1611 PolarHBondContact O-N 3.24Å
1608I63.4Low66.8Low95 Ų9597 Ų9749%0.48751%0.514SS..Hα-helixtrans-63.1-45.8170-67.7163.2000110.4L1604 L1610 N1611 L1612L1604-I1608 WeakPolarHBondContact O-CB 3.29Å; L1604-I1608 VanDerWaalsContact O-CG1 3.24Å; L1604-I1608 WeakPolarHBondContact O-CG1 3.42Å; L1604-I1608 PolarHBondContact O-N 3.43Å; I1608-L1610 VanDerWaalsContact C-N 3.32Å; I1608-L1610 PolarHBondContact O-N 2.86Å; I1608-N1611 PolarHBondContact O-N 2.87Å; I1608-L1612 HydrophobicContact CG2-CD1 3.81Å; I1608-L1612 HydrophobicContact CG2-CG 4.32Å; I1608-L1612 WeakPolarHBondContact O-CB 3.27Å; I1608-L1612 VanDerWaalsContact O-CG 3.32Å; I1608-L1612 WeakPolarHBondContact O-CG 3.38Å; I1608-L1612 PolarHBondContact O-N 3.33Å
1609T68.9Low65.8Low86 Ų8695.7 Ų95.753%0.52851%0.51SS..Hα-helixtrans-62.9-38.9177.4-47.20000111.7K1605 K1606 S1613K1605-T1609 WeakPolarHBondContact O-CB 3.49Å; K1605-T1609 PolarHBondContact O-N 3.34Å; K1605-T1609 PolarHBondContact O-OG1 2.85Å; K1606-T1609 PolarHBondContact O-N 2.93Å; T1609-S1613 WeakPolarHBondContact O-CB 3.47Å; T1609-S1613 PolarHBondContact O-N 3Å; T1609-S1613 PolarHBondContact O-OG 3.35Å
1610L75.4Confident65.1Low103 Ų10397.7 Ų97.754%0.53952%0.516SS..Hα-helixtrans-67.2-42.7176.3-16185.6000111.5K1606 L1607 I1608 S1613 N1614K1606-L1610 WeakPolarHBondContact O-CB 3.5Å; K1606-L1610 PolarHBondContact O-N 3.44Å; L1607-L1610 PolarHBondContact O-N 3.05Å; I1608-L1610 VanDerWaalsContact C-N 3.32Å; I1608-L1610 PolarHBondContact O-N 2.86Å; L1610-S1613 PolarHBondContact O-N 3.16Å; L1610-S1613 PolarHBondContact O-OG 2.88Å; L1610-N1614 PolarHBondContact O-N 3.1Å; L1610-N1614 PolarHBondContact O-ND2 3.14Å
1611N63.7Low64.7Low82 Ų8298.4 Ų98.444%0.43952%0.521SS..Hα-helixtrans-65.1-45.7176.9-75.2-3.3000111.4L1607 I1608 S1613 N1614 E1615L1607-N1611 WeakPolarHBondContact O-CB 3.21Å; L1607-N1611 VanDerWaalsContact O-CG 3.28Å; L1607-N1611 PolarHBondContact O-N 3.24Å; I1608-N1611 PolarHBondContact O-N 2.87Å; N1611-S1613 VanDerWaalsContact C-N 3.33Å; N1611-S1613 PolarHBondContact O-N 3.47Å; N1611-N1614 CarbonylContact O-C 3.55Å; N1611-N1614 WeakPolarHBondContact O-CB 3.41Å; N1611-N1614 PolarHBondContact O-N 3.48Å; N1611-E1615 PolarHBondContact O-N 3.11Å
1612L58.8Low63.5Low88 Ų88100 Ų10046%0.46153%0.526SS..Hα-helixtrans-58.5-43.3173.7-71.5169.6000111.3I1608 N1614 E1615 D1616I1608-L1612 HydrophobicContact CG2-CD1 3.81Å; I1608-L1612 HydrophobicContact CG2-CG 4.32Å; I1608-L1612 WeakPolarHBondContact O-CB 3.27Å; I1608-L1612 VanDerWaalsContact O-CG 3.32Å; I1608-L1612 WeakPolarHBondContact O-CG 3.38Å; I1608-L1612 PolarHBondContact O-N 3.33Å; L1612-N1614 VanDerWaalsContact C-N 3.27Å; L1612-N1614 PolarHBondContact O-N 2.94Å; L1612-E1615 PolarHBondContact O-N 3.4Å; L1612-E1615 VanDerWaalsContact O-N 3.17Å; L1612-D1616 WeakPolarHBondContact O-CB 3.22Å; L1612-D1616 PolarHBondContact O-N 3.48Å
1613S68.4Low62.1Low57 Ų57100.7 Ų100.740%0.39953%0.527SS..Hα-helixtrans-65.7-27.4175.870.70000114.1T1609 L1610 N1611 S1617T1609-S1613 WeakPolarHBondContact O-CB 3.47Å; T1609-S1613 PolarHBondContact O-N 3Å; T1609-S1613 PolarHBondContact O-OG 3.35Å; L1610-S1613 PolarHBondContact O-N 3.16Å; L1610-S1613 PolarHBondContact O-OG 2.88Å; N1611-S1613 VanDerWaalsContact C-N 3.33Å; N1611-S1613 PolarHBondContact O-N 3.47Å; S1613-S1617 VanDerWaalsContact O-CB 3.31Å; S1613-S1617 WeakPolarHBondContact O-CB 3.22Å; S1613-S1617 PolarHBondContact O-N 3.19Å; S1613-S1617 VanDerWaalsContact O-N 3.13Å
1614N66.4Low61Low89 Ų8999.7 Ų99.748%0.47653%0.526SS..Hα-helixtrans-80.2-33.2173.4-72.9-30.9000111.8L1610 N1611 L1612 L1618L1610-N1614 PolarHBondContact O-N 3.1Å; L1610-N1614 PolarHBondContact O-ND2 3.14Å; N1611-N1614 CarbonylContact O-C 3.55Å; N1611-N1614 WeakPolarHBondContact O-CB 3.41Å; N1611-N1614 PolarHBondContact O-N 3.48Å; L1612-N1614 VanDerWaalsContact C-N 3.27Å; L1612-N1614 PolarHBondContact O-N 2.94Å; N1614-L1618 WeakPolarHBondContact O-CB 3.35Å; N1614-L1618 PolarHBondContact O-N 3.26Å
1615E54.8Low60.2Low123 Ų12399.6 Ų99.658%0.57553%0.529SS*.Hα-helixtrans-68.9-46172.2-76.1-175.114700110.9N1611 L1612 S1617 L1618 L1619N1611-E1615 PolarHBondContact O-N 3.11Å; L1612-E1615 PolarHBondContact O-N 3.4Å; L1612-E1615 VanDerWaalsContact O-N 3.17Å; E1615-S1617 VanDerWaalsContact C-N 3.31Å; E1615-S1617 PolarHBondContact O-N 2.57Å; E1615-L1618 CarbonylContact O-C 3.58Å; E1615-L1618 WeakPolarHBondContact O-CA 3.46Å; E1615-L1618 WeakPolarHBondContact O-CB 3.31Å; E1615-L1618 PolarHBondContact O-N 2.83Å; E1615-L1619 WeakPolarHBondContact O-CB 3.33Å; E1615-L1619 PolarHBondContact O-N 2.77Å
1616D58.5Low58.8Low102 Ų102100.2 Ų100.255%0.54554%0.535SS..Hα-helixtrans-58-42.4172-73.1-29.8000111.1L1612 L1618 L1619 D1620L1612-D1616 WeakPolarHBondContact O-CB 3.22Å; L1612-D1616 PolarHBondContact O-N 3.48Å; D1616-L1618 VanDerWaalsContact C-N 3.33Å; D1616-L1618 PolarHBondContact O-N 3.43Å; D1616-L1619 WeakPolarHBondContact O-CB 3.43Å; D1616-L1619 PolarHBondContact O-N 3.41Å; D1616-D1620 PolarHBondContact O-N 3.45Å
1617S66.9Low57.1Low70 Ų70100.5 Ų100.549%0.4954%0.539SS..Hα-helixtrans-70.2-27.2176-170.20000113.2S1613 E1615 V1621S1613-S1617 VanDerWaalsContact O-CB 3.31Å; S1613-S1617 WeakPolarHBondContact O-CB 3.22Å; S1613-S1617 PolarHBondContact O-N 3.19Å; S1613-S1617 VanDerWaalsContact O-N 3.13Å; E1615-S1617 VanDerWaalsContact C-N 3.31Å; E1615-S1617 PolarHBondContact O-N 2.57Å; S1617-V1621 VanDerWaalsContact O-CG2 3.29Å; S1617-V1621 WeakPolarHBondContact O-CG2 3.3Å; S1617-V1621 PolarHBondContact O-N 2.98Å
1618L46.6Very low55.3Low107 Ų107104.2 Ų104.256%0.5655%0.553SS**Hα-helixtrans-75.5-34.8169.4-91.5162.5000111.4N1614 E1615 D1616 V1621 L1622N1614-L1618 WeakPolarHBondContact O-CB 3.35Å; N1614-L1618 PolarHBondContact O-N 3.26Å; E1615-L1618 CarbonylContact O-C 3.58Å; E1615-L1618 WeakPolarHBondContact O-CA 3.46Å; E1615-L1618 WeakPolarHBondContact O-CB 3.31Å; E1615-L1618 PolarHBondContact O-N 2.83Å; D1616-L1618 VanDerWaalsContact C-N 3.33Å; D1616-L1618 PolarHBondContact O-N 3.43Å; L1618-V1621 PolarHBondContact O-N 2.86Å; L1618-L1622 WeakPolarHBondContact O-CB 3.46Å; L1618-L1622 VanDerWaalsContact O-CG 3.26Å; L1618-L1622 WeakPolarHBondContact O-CG 3.49Å; L1618-L1622 PolarHBondContact O-N 3.2Å
1619L51.6Low53.7Low98 Ų98103 Ų10351%0.51356%0.563SS.*Hα-helixtrans-68.3-39.6176.1-144.573.6000110.6E1615 D1616 L1622 N1623E1615-L1619 WeakPolarHBondContact O-CB 3.33Å; E1615-L1619 PolarHBondContact O-N 2.77Å; D1616-L1619 WeakPolarHBondContact O-CB 3.43Å; D1616-L1619 PolarHBondContact O-N 3.41Å; L1619-L1622 PolarHBondContact O-N 3.43Å; L1619-N1623 VanDerWaalsContact O-CB 3.23Å; L1619-N1623 WeakPolarHBondContact O-CB 3.35Å; L1619-N1623 PolarHBondContact O-N 3.32Å; L1619-N1623 PolarHBondContact O-ND2 2.86Å; L1619-N1623 VanDerWaalsContact O-ND2 3.16Å
1620D60.2Low51.7Low103 Ų103104 Ų10455%0.55157%0.574SS**Hα-helixtrans-62.6-39.4169.5-97-8000111.9D1616 N1624D1616-D1620 PolarHBondContact O-N 3.45Å; D1620-N1624 WeakPolarHBondContact O-CB 3.15Å; D1620-N1624 PolarHBondContact O-N 2.93Å; D1620-N1624 VanDerWaalsContact O-N 3.1Å; D1620-N1624 PolarHBondContact O-ND2 2.9Å
1621V59.2Low49.5Very low86 Ų86106.4 Ų106.452%0.52159%0.587SS.*Hα-helixtrans-67.9-37.8174.9168.40000111.5S1617 L1618 V1625S1617-V1621 VanDerWaalsContact O-CG2 3.29Å; S1617-V1621 WeakPolarHBondContact O-CG2 3.3Å; S1617-V1621 PolarHBondContact O-N 2.98Å; L1618-V1621 PolarHBondContact O-N 2.86Å; V1621-V1625 WeakPolarHBondContact O-CG2 3.42Å; V1621-V1625 PolarHBondContact O-N 2.94Å
1622L41.5Very low47.6Very low107 Ų107108.2 Ų108.256%0.5661%0.606SS**Hα-helixtrans-72.5-43.1177.5-72165.6000112.2L1618 L1619 N1624 V1625 E1626L1618-L1622 WeakPolarHBondContact O-CB 3.46Å; L1618-L1622 VanDerWaalsContact O-CG 3.26Å; L1618-L1622 WeakPolarHBondContact O-CG 3.49Å; L1618-L1622 PolarHBondContact O-N 3.2Å; L1619-L1622 PolarHBondContact O-N 3.43Å; L1622-N1624 VanDerWaalsContact C-N 3.26Å; L1622-N1624 PolarHBondContact O-N 2.79Å; L1622-V1625 WeakPolarHBondContact O-CB 3.33Å; L1622-V1625 PolarHBondContact O-N 3.17Å; L1622-E1626 PolarHBondContact O-N 3.27Å
1623N47.5Very low46.1Very low79 Ų79110.9 Ų110.942%0.42262%0.62SS.*Hα-helixtrans-61.5-32.3174.6-74.9-30000112.3L1619 V1625L1619-N1623 VanDerWaalsContact O-CB 3.23Å; L1619-N1623 WeakPolarHBondContact O-CB 3.35Å; L1619-N1623 PolarHBondContact O-N 3.32Å; L1619-N1623 PolarHBondContact O-ND2 2.86Å; L1619-N1623 VanDerWaalsContact O-ND2 3.16Å; N1623-V1625 VanDerWaalsContact C-N 3.32Å
1624N48.4Very low44Very low109 Ų109113 Ų11358%0.58364%0.635SS**Hα-helixtrans-74.6-18.1173-81.9-67000113.7D1620 L1622D1620-N1624 WeakPolarHBondContact O-CB 3.15Å; D1620-N1624 PolarHBondContact O-N 2.93Å; D1620-N1624 VanDerWaalsContact O-N 3.1Å; D1620-N1624 PolarHBondContact O-ND2 2.9Å; L1622-N1624 VanDerWaalsContact C-N 3.26Å; L1622-N1624 PolarHBondContact O-N 2.79Å
1625V45.3Very low42.2Very low102 Ų102113.6 Ų113.662%0.61865%0.645SS**Hα-helixtrans-80.5-31.3173.8170.60000111.5V1621 L1622 N1623 Q1627V1621-V1625 WeakPolarHBondContact O-CG2 3.42Å; V1621-V1625 PolarHBondContact O-N 2.94Å; L1622-V1625 WeakPolarHBondContact O-CB 3.33Å; L1622-V1625 PolarHBondContact O-N 3.17Å; N1623-V1625 VanDerWaalsContact C-N 3.32Å; V1625-Q1627 VanDerWaalsContact C-N 3.34Å; V1625-Q1627 PolarHBondContact O-N 2.79Å
1626E40.5Very low41Very low164 Ų164115.4 Ų115.477%0.76666%0.657SS**Hα-helixtrans-71.1-21.1178.8-85.8-170143.100114.9L1622L1622-E1626 PolarHBondContact O-N 3.27Å
1627Q40.2Very low39.4Very low159 Ų159115.3 Ų115.374%0.74367%0.665SS**THydrogen-bonded Turntrans-86.6-3.1-177.6-64.3-165.15.600115.3V1625V1625-Q1627 VanDerWaalsContact C-N 3.34Å; V1625-Q1627 PolarHBondContact O-N 2.79Å
1628H34.7Very low37.6Very low179 Ų179122.6 Ų122.683%0.82968%0.683SS**SBendtrans-134.462.6-179.6-72.9-52000112.9
1629G30.3Very low36.7Very low69 Ų69122.2 Ų122.271%0.71169%0.69SS**  trans-143.835.2-171.600000116.8
1630S26.5Very low35.7Very low108 Ų108126 Ų12676%0.75571%0.705SS**  trans-70.8168.816456.40000111.4
1631L28.9Very low34.2Very low154 Ų154125.8 Ų125.881%0.80671%0.711SS**  trans102.1100.5170.4-54.1171.4000117.3
1632S24.7Very low32.8Very low120 Ų120129 Ų12984%0.83973%0.725SS**  trans-33.4128.8153-40.70000114.2
1633L27Very low32.4Very low144 Ų144129.2 Ų129.275%0.75473%0.73SS**  trans-136.555.3173.9-104.6155.6000112.7S1635L1633-S1635 PolarHBondContact O-N 3.44Å
1634S25.5Very low31.7Very low102 Ų102130.7 Ų130.771%0.71374%0.738SS**SBendtrans-65.4119.7146.152.70000108.4
1635S26.7Very low30.9Very low100 Ų100133.7 Ų133.770%0.69975%0.754SS**  trans59.3120.917542.50000117.5L1633L1633-S1635 PolarHBondContact O-N 3.44Å
1636I30.4Very low30.2Very low161 Ų161134.3 Ų134.383%0.82675%0.75SS**  -168.4142.3118.8-95.7151.7000110
1637S25.8Very low29.7Very low100 Ų100133.7 Ų133.770%0.69976%0.757SS**  trans-92.7151.7-179.4-640000112
1638Y27.4Very low29Very low223 Ų223133.2 Ų133.288%0.87575%0.753SS**  trans65.8135.3149.2-96.5-103.6000120.3
1639S29.5Very low28.8Very low100 Ų100131.1 Ų131.170%0.69975%0.752SS**  trans111.289.9145.3-43.20000119.6
1640Q29.8Very low28.7Very low178 Ų178132.6 Ų132.683%0.83275%0.752SS**  65.7114.4108.9-149.3134.62.200122.2
1641S29Very low28.8Very low97 Ų97136 Ų13668%0.67876%0.756SS**  trans65.4116.2142.3670000122.6
1642L28.8Very low28.8Very low154 Ų154133.9 Ų133.981%0.80675%0.749SS**  -173.1122.8109.8-12651.5000106.7
1643V34.3Very low29.1Very low112 Ų112134.7 Ų134.768%0.67974%0.744SS**  59.6121.264.6178.20000109.8
1644D31.3Very low29.2Very low110 Ų110134.8 Ų134.859%0.58875%0.745SS**  cis-157.6152.912-127.5-21000109.3
1645N32.4Very low29.5Very low172 Ų172137.6 Ų137.692%0.9275%0.75SS**  trans-169.8120.5131.7-102.2-31.9000112.1
1646Q30.2Very low29.7Very low115 Ų115135.6 Ų135.654%0.53775%0.745SS.*  trans-92.9138-169.1-57.5166.323.500111.8K1648Q1646-K1648 VanDerWaalsContact OE1-CE 3.26Å
1647V29.8Very low29.9Very low150 Ų150135.9 Ų135.991%0.90975%0.748SS**  trans-129.9127.4133.5-1780000107.9
1648K26.6Very low30.4Very low150 Ų150138.6 Ų138.665%0.65275%0.753SS**  trans-90.7174.7-173.5-72.5164.2171.9143.90111.8Q1646Q1646-K1648 VanDerWaalsContact OE1-CE 3.26Å
1649T30.1Very low30.9Very low134 Ų134133 Ų13382%0.82274%0.738SS**  trans101.2132.2158.670.10000115.3
1650S28.1Very low31.6Very low100 Ų100135.8 Ų135.870%0.69974%0.74SS**  cis161.297-27.3450000107
1651H29Very low32.2Very low181 Ų181130 Ų13084%0.83872%0.72SS**  trans171.7118.4160.1-110-79.4000105.1
1652V29.2Very low33.1Very low109 Ų109126.6 Ų126.666%0.66170%0.699SS**  cis65107.539.2-171.30000112.6
1653D29.8Very low34.2Very low137 Ų137124.7 Ų124.773%0.73369%0.689SS**  trans57.493.1163.8-53.3-19.2000117.8
1654N30.3Very low34.9Very low145 Ų145123.7 Ų123.778%0.77568%0.678SS**  -179.6143.3125.3-98.1-47.5000113.3
1655I30.8Very low36.2Very low161 Ų161121.9 Ų121.983%0.82667%0.668SS**  trans51.7119141.2-52160.7000117.2
1656G31.1Very low37.3Very low58 Ų58119.1 Ų119.160%0.59865%0.653SS**  cis167.8153.60.700000109.5I1658G1656-I1658 PolarHBondContact O-N 2.86Å; G1656-I1658 VanDerWaalsContact O-N 3.09Å
1657L34.6Very low38.5Very low168 Ų168117.8 Ų117.888%0.8865%0.648SS**  trans26.168.4167-68.2164.6000116.3
1658I36.6Very low40.2Very low156 Ų156114.8 Ų114.880%0.862%0.623SS**  trans-72134.2157.5-63.1172.6000106.7G1656 Q1660G1656-I1658 PolarHBondContact O-N 2.86Å; G1656-I1658 VanDerWaalsContact O-N 3.09Å; I1658-Q1660 PolarHBondContact O-N 2.88Å
1659D38.2Very low42Very low107 Ų107111.4 Ų111.457%0.57262%0.615SS**  trans-62.296.4-161.8-165.9-5.1000113.7S1661 G1662D1659-S1661 PolarHBondContact O-N 3.42Å; D1659-S1661 WeakPolarHBondContact OD1-CA 2.79Å; D1659-S1661 WeakPolarHBondContact OD1-CB 3.41Å; D1659-S1661 PolarHBondContact OD1-N 2.86Å; D1659-G1662 PolarHBondContact OD1-N 3.08Å
1660Q43Very low43.4Very low158 Ų158109.8 Ų109.874%0.73860%0.596SS**Hα-helixtrans-75.2-12.7173.9-73.4-174.1-10.100112.6I1658 M1664I1658-Q1660 PolarHBondContact O-N 2.88Å; Q1660-M1664 WeakPolarHBondContact O-CB 3.32Å; Q1660-M1664 PolarHBondContact O-N 3Å
1661S43Very low45Very low57 Ų57107.4 Ų107.440%0.39958%0.575SS.*Hα-helixtrans-67.5-52.9169.4131.20000108.9D1659 I1663 M1664 D1665D1659-S1661 PolarHBondContact O-N 3.42Å; D1659-S1661 WeakPolarHBondContact OD1-CA 2.79Å; D1659-S1661 WeakPolarHBondContact OD1-CB 3.41Å; D1659-S1661 PolarHBondContact OD1-N 2.86Å; S1661-I1663 VanDerWaalsContact C-N 3.32Å; S1661-I1663 PolarHBondContact O-N 3.4Å; S1661-I1663 VanDerWaalsContact O-N 3.13Å; S1661-M1664 CarbonylContact O-C 3.49Å; S1661-M1664 WeakPolarHBondContact O-CA 3.42Å; S1661-M1664 VanDerWaalsContact O-CB 3.29Å; S1661-M1664 WeakPolarHBondContact O-CB 3.32Å; S1661-M1664 PolarHBondContact O-N 2.91Å; S1661-D1665 WeakPolarHBondContact CB-OD2 3.4Å; S1661-D1665 WeakPolarHBondContact O-CB 3.27Å; S1661-D1665 VanDerWaalsContact O-CG 3.26Å; S1661-D1665 PolarHBondContact O-N 3.44Å; S1661-D1665 VanDerWaalsContact O-OD2 3.04Å; S1661-D1665 PolarHBondContact OG-OD2 2.92Å
1662G48.8Very low46.7Very low24 Ų24102.4 Ų102.425%0.24755%0.552CS.*Hα-helixtrans-51.6-42.6-178.600000115D1659 N1666D1659-G1662 PolarHBondContact OD1-N 3.08Å; G1662-N1666 VanDerWaalsContact O-CB 3.28Å; G1662-N1666 WeakPolarHBondContact O-CB 3.38Å; G1662-N1666 PolarHBondContact O-N 3.48Å; G1662-N1666 PolarHBondContact O-ND2 3.41Å
1663I50.3Low48.1Very low115 Ų11598.9 Ų98.959%0.5953%0.532SS*.Hα-helixtrans-68.9-39.7175.9-61.6175.4000111.5S1661 M1667S1661-I1663 VanDerWaalsContact C-N 3.32Å; S1661-I1663 PolarHBondContact O-N 3.4Å; S1661-I1663 VanDerWaalsContact O-N 3.13Å; I1663-M1667 WeakPolarHBondContact O-CG 3.34Å; I1663-M1667 PolarHBondContact O-N 3.46Å
1664M50Low49.6Very low91 Ų9192.9 Ų92.945%0.44850%0.5SS..Hα-helixtrans-66.3-41.4175-105171.343.800113.2Q1660 S1661 M1667 K1668 R1833Q1660-M1664 WeakPolarHBondContact O-CB 3.32Å; Q1660-M1664 PolarHBondContact O-N 3Å; S1661-M1664 CarbonylContact O-C 3.49Å; S1661-M1664 WeakPolarHBondContact O-CA 3.42Å; S1661-M1664 VanDerWaalsContact O-CB 3.29Å; S1661-M1664 WeakPolarHBondContact O-CB 3.32Å; S1661-M1664 PolarHBondContact O-N 2.91Å; M1664-M1667 CarbonylContact O-C 3.48Å; M1664-M1667 PolarHBondContact O-N 2.84Å; M1664-K1668 WeakPolarHBondContact O-CB 3.33Å; M1664-K1668 PolarHBondContact O-N 3.23Å; M1664-R1833 PolarHBondContact SD-NH1 3.31Å
1665D58.7Low51.1Low71 Ų7190.6 Ų90.638%0.3849%0.485SS..Hα-helixtrans-71.7-37.1-177.8-65.3-40.2000109.8S1661 K1668 T1669S1661-D1665 WeakPolarHBondContact CB-OD2 3.4Å; S1661-D1665 WeakPolarHBondContact O-CB 3.27Å; S1661-D1665 VanDerWaalsContact O-CG 3.26Å; S1661-D1665 PolarHBondContact O-N 3.44Å; S1661-D1665 VanDerWaalsContact O-OD2 3.04Å; S1661-D1665 PolarHBondContact OG-OD2 2.92Å; D1665-K1668 PolarHBondContact O-N 2.91Å; D1665-T1669 WeakPolarHBondContact O-CB 3.31Å; D1665-T1669 PolarHBondContact O-N 2.65Å; D1665-T1669 PolarHBondContact O-OG1 2.87Å
1666N55.6Low52.8Low114 Ų11488 Ų8861%0.6147%0.465SS*.Hα-helixtrans-62-44.6166.4-72.1-11.6000112G1662 T1669 F1670G1662-N1666 VanDerWaalsContact O-CB 3.28Å; G1662-N1666 WeakPolarHBondContact O-CB 3.38Å; G1662-N1666 PolarHBondContact O-N 3.48Å; G1662-N1666 PolarHBondContact O-ND2 3.41Å; N1666-T1669 WeakPolarHBondContact CA-OG1 3.36Å; N1666-T1669 PolarHBondContact O-OG1 3.08Å; N1666-T1669 VanDerWaalsContact O-OG1 3.06Å; N1666-F1670 VanDerWaalsContact O-CB 3.25Å; N1666-F1670 WeakPolarHBondContact O-CB 3.33Å; N1666-F1670 PolarHBondContact O-N 2.93Å
1667M54.8Low54.2Low87 Ų8785.4 Ų85.443%0.42944%0.438SS..Hα-helixtrans-65.2-36.2172.9-73-170.88000112.6I1663 M1664 F1670 I1671 I1829I1663-M1667 WeakPolarHBondContact O-CG 3.34Å; I1663-M1667 PolarHBondContact O-N 3.46Å; M1664-M1667 CarbonylContact O-C 3.48Å; M1664-M1667 PolarHBondContact O-N 2.84Å; M1667-F1670 PolarHBondContact O-N 3.39Å; M1667-I1671 WeakPolarHBondContact O-CB 3.39Å; M1667-I1671 WeakPolarHBondContact O-CD1 3.36Å; M1667-I1671 WeakPolarHBondContact O-CG1 3.43Å; M1667-I1671 PolarHBondContact O-N 2.87Å; M1667-I1829 HydrophobicContact CE-CD1 3.85Å
1668K65Low55.5Low88 Ų8879.1 Ų79.138%0.38340%0.404SS..Hα-helixtrans-67.3-48.5178.3-161.1-167.6-168.9-118.70110.2E530 M1664 D1665 F1670 I1671 E1672E530-K1668 IonicContact OE2-NZ 2.7Å; E530-K1668 PolarHBondContact OE2-NZ 2.75Å; M1664-K1668 WeakPolarHBondContact O-CB 3.33Å; M1664-K1668 PolarHBondContact O-N 3.23Å; D1665-K1668 PolarHBondContact O-N 2.91Å; K1668-F1670 VanDerWaalsContact C-N 3.32Å; K1668-F1670 PolarHBondContact O-N 3.07Å; K1668-I1671 CarbonylContact O-C 3.57Å; K1668-I1671 PolarHBondContact O-N 3.4Å; K1668-E1672 WeakPolarHBondContact CD-OE1 3.24Å; K1668-E1672 VanDerWaalsContact CE-OE1 3.24Å; K1668-E1672 WeakPolarHBondContact CE-OE1 3.34Å; K1668-E1672 HydrophobicContact CG-CG 4.48Å; K1668-E1672 WeakPolarHBondContact CG-OE1 3.36Å; K1668-E1672 IonicContact NZ-OE1 3.95Å; K1668-E1672 PolarHBondContact NZ-OE1 2.85Å; K1668-E1672 WeakPolarHBondContact O-CB 3.48Å; K1668-E1672 VanDerWaalsContact O-CG 3.26Å; K1668-E1672 WeakPolarHBondContact O-CG 3.18Å; K1668-E1672 PolarHBondContact O-N 3.3Å
1669T64.5Low57.1Low78 Ų7875.5 Ų75.548%0.47939%0.389SS..Hα-helixtrans-63-35.117544.90000112.7D1665 N1666 E1672 S1673D1665-T1669 WeakPolarHBondContact O-CB 3.31Å; D1665-T1669 PolarHBondContact O-N 2.65Å; D1665-T1669 PolarHBondContact O-OG1 2.87Å; N1666-T1669 WeakPolarHBondContact CA-OG1 3.36Å; N1666-T1669 PolarHBondContact O-OG1 3.08Å; N1666-T1669 VanDerWaalsContact O-OG1 3.06Å; T1669-E1672 PolarHBondContact O-N 2.91Å; T1669-S1673 WeakPolarHBondContact O-CB 3.4Å; T1669-S1673 PolarHBondContact O-N 2.75Å; T1669-S1673 PolarHBondContact O-OG 3.17Å
1670F60.4Low58.3Low100 Ų10072.6 Ų72.644%0.43937%0.37SS..Hα-helixtrans-68.1-39.6172.5-175.2-101.4000112.6N1666 M1667 K1668 S1673 L1674 L1737N1666-F1670 VanDerWaalsContact O-CB 3.25Å; N1666-F1670 WeakPolarHBondContact O-CB 3.33Å; N1666-F1670 PolarHBondContact O-N 2.93Å; M1667-F1670 PolarHBondContact O-N 3.39Å; K1668-F1670 VanDerWaalsContact C-N 3.32Å; K1668-F1670 PolarHBondContact O-N 3.07Å; F1670-S1673 PolarHBondContact O-OG 2.84Å; F1670-S1673 VanDerWaalsContact O-OG 3.04Å; F1670-L1674 HydrophobicContact CD1-CD1 3.69Å; F1670-L1674 HydrophobicContact CD2-CD1 4.46Å; F1670-L1674 HydrophobicContact CE1-CD1 3.31Å; F1670-L1674 HydrophobicContact CE2-CD1 4.15Å; F1670-L1674 HydrophobicContact CG-CD1 4.26Å; F1670-L1674 HydrophobicContact CZ-CD1 3.59Å; F1670-L1674 WeakPolarHBondContact O-CB 3.34Å; F1670-L1674 WeakPolarHBondContact O-CD1 3.47Å; F1670-L1674 PolarHBondContact O-N 3.42Å; F1670-L1737 HydrophobicContact CE2-CD1 4.37Å; F1670-L1737 HydrophobicContact CE2-CD2 3.66Å; F1670-L1737 HydrophobicContact CE2-CG 4.15Å; F1670-L1737 HydrophobicContact CZ-CD2 3.59Å
1671I60.5Low59.3Low51 Ų5166 Ų6626%0.26234%0.34SS..Hα-helixtrans-68.7-39.6173.5-70.1162.7000110.8M1667 K1668 H1675 L1822 T1826M1667-I1671 WeakPolarHBondContact O-CB 3.39Å; M1667-I1671 WeakPolarHBondContact O-CD1 3.36Å; M1667-I1671 WeakPolarHBondContact O-CG1 3.43Å; M1667-I1671 PolarHBondContact O-N 2.87Å; K1668-I1671 CarbonylContact O-C 3.57Å; K1668-I1671 PolarHBondContact O-N 3.4Å; I1671-H1675 VanDerWaalsContact O-CB 3.28Å; I1671-H1675 WeakPolarHBondContact O-CB 3.5Å; I1671-H1675 PolarHBondContact O-N 2.83Å; I1671-L1822 HydrophobicContact CG1-CD2 4.04Å; I1671-L1822 HydrophobicContact CG1-CG 4.43Å; I1671-T1826 HydrophobicContact CD1-CG2 3.99Å; I1671-T1826 WeakPolarHBondContact CD1-OG1 3.48Å
1672E65.2Low60.5Low76 Ų7667.3 Ų67.336%0.35534%0.339SS..Hα-helixtrans-67-40176.4-75.1173.7-173.700111.9K1668 T1669 H1675 Y1676K1668-E1672 WeakPolarHBondContact CD-OE1 3.24Å; K1668-E1672 VanDerWaalsContact CE-OE1 3.24Å; K1668-E1672 WeakPolarHBondContact CE-OE1 3.34Å; K1668-E1672 HydrophobicContact CG-CG 4.48Å; K1668-E1672 WeakPolarHBondContact CG-OE1 3.36Å; K1668-E1672 IonicContact NZ-OE1 3.95Å; K1668-E1672 PolarHBondContact NZ-OE1 2.85Å; K1668-E1672 WeakPolarHBondContact O-CB 3.48Å; K1668-E1672 VanDerWaalsContact O-CG 3.26Å; K1668-E1672 WeakPolarHBondContact O-CG 3.18Å; K1668-E1672 PolarHBondContact O-N 3.3Å; T1669-E1672 PolarHBondContact O-N 2.91Å; E1672-H1675 PolarHBondContact O-N 3.42Å; E1672-Y1676 VanDerWaalsContact O-CB 3.25Å; E1672-Y1676 WeakPolarHBondContact O-CB 3.5Å; E1672-Y1676 PolarHBondContact O-N 3.47Å
1673S59.4Low61.5Low34 Ų3471.3 Ų71.324%0.23835%0.348CS..Hα-helixtrans-67.9-4217572.50000111.7T1669 F1670 Y1676 A1677T1669-S1673 WeakPolarHBondContact O-CB 3.4Å; T1669-S1673 PolarHBondContact O-N 2.75Å; T1669-S1673 PolarHBondContact O-OG 3.17Å; F1670-S1673 PolarHBondContact O-OG 2.84Å; F1670-S1673 VanDerWaalsContact O-OG 3.04Å; S1673-Y1676 PolarHBondContact O-N 2.93Å; S1673-A1677 VanDerWaalsContact O-CB 3.3Å; S1673-A1677 WeakPolarHBondContact O-CB 3.35Å; S1673-A1677 PolarHBondContact O-N 3.35Å
1674L59.8Low62.2Low12 Ų1266.2 Ų66.26%0.06332%0.321CS..Hα-helixtrans-63.1-40.5172-99.1139.8000112.7F1670 A1677 H1678 L1737 V1818 L1822F1670-L1674 HydrophobicContact CD1-CD1 3.69Å; F1670-L1674 HydrophobicContact CD2-CD1 4.46Å; F1670-L1674 HydrophobicContact CE1-CD1 3.31Å; F1670-L1674 HydrophobicContact CE2-CD1 4.15Å; F1670-L1674 HydrophobicContact CG-CD1 4.26Å; F1670-L1674 HydrophobicContact CZ-CD1 3.59Å; F1670-L1674 WeakPolarHBondContact O-CB 3.34Å; F1670-L1674 WeakPolarHBondContact O-CD1 3.47Å; F1670-L1674 PolarHBondContact O-N 3.42Å; L1674-A1677 PolarHBondContact O-N 3.22Å; L1674-H1678 WeakPolarHBondContact O-CB 3.31Å; L1674-H1678 PolarHBondContact O-N 2.83Å; L1674-L1737 HydrophobicContact CD1-CD1 4.17Å; L1674-L1737 HydrophobicContact CD1-CD2 3.58Å; L1674-L1737 HydrophobicContact CD2-CD2 4.19Å; L1674-L1737 HydrophobicContact CG-CD1 3.9Å; L1674-L1737 HydrophobicContact CG-CD2 3.88Å; L1674-V1818 HydrophobicContact CD2-CG1 4.41Å; L1674-L1822 HydrophobicContact CB-CD2 4.2Å; L1674-L1822 HydrophobicContact CD1-CD2 3.76Å; L1674-L1822 HydrophobicContact CG-CD2 4.38Å
1675H63.3Low62.9Low96 Ų9662.6 Ų62.644%0.44431%0.306SS..Hα-helixtrans-67.8-41.6176.7-169.670.6000111.6I1671 E1672 H1678 V1679I1671-H1675 VanDerWaalsContact O-CB 3.28Å; I1671-H1675 WeakPolarHBondContact O-CB 3.5Å; I1671-H1675 PolarHBondContact O-N 2.83Å; E1672-H1675 PolarHBondContact O-N 3.42Å; H1675-H1678 WeakPolarHBondContact O-CB 3.41Å; H1675-H1678 PolarHBondContact O-N 2.82Å; H1675-V1679 WeakPolarHBondContact O-CG2 3.36Å; H1675-V1679 PolarHBondContact O-N 3.1Å
1676Y65.8Low63.4Low108 Ų10863.2 Ų63.242%0.42430%0.303SS..Hα-helixtrans-62.5-43.8174.1-178.5-98.9000111.6E1672 S1673 R1680E1672-Y1676 VanDerWaalsContact O-CB 3.25Å; E1672-Y1676 WeakPolarHBondContact O-CB 3.5Å; E1672-Y1676 PolarHBondContact O-N 3.47Å; S1673-Y1676 PolarHBondContact O-N 2.93Å; Y1676-R1680 WeakPolarHBondContact O-CB 3.25Å; Y1676-R1680 PolarHBondContact O-N 2.85Å; Y1676-R1680 PolarHBondContact OH-NH1 3.03Å
1677A59.8Low63.9Low2 Ų260 Ų602%0.01728%0.284CS..Hα-helixtrans-61.1-43.3173.100000112S1673 L1674 R1680 L1681 L1731S1673-A1677 VanDerWaalsContact O-CB 3.3Å; S1673-A1677 WeakPolarHBondContact O-CB 3.35Å; S1673-A1677 PolarHBondContact O-N 3.35Å; L1674-A1677 PolarHBondContact O-N 3.22Å; A1677-R1680 PolarHBondContact O-N 3.42Å; A1677-L1681 VanDerWaalsContact O-CB 3.29Å; A1677-L1681 WeakPolarHBondContact O-CB 3.35Å; A1677-L1681 VanDerWaalsContact O-CG 3.26Å; A1677-L1681 WeakPolarHBondContact O-CG 3.26Å; A1677-L1681 PolarHBondContact O-N 3.12Å; A1677-L1731 HydrophobicContact CB-CD2 4.12Å
1678H63.7Low64.4Low36 Ų3656.1 Ų56.117%0.16726%0.264CS..Hα-helixtrans-58.4-53.3176.7178.8-86.2000112.1L1674 H1675 R1680 L1681 H1682 D1816 T1819L1674-H1678 WeakPolarHBondContact O-CB 3.31Å; L1674-H1678 PolarHBondContact O-N 2.83Å; H1675-H1678 WeakPolarHBondContact O-CB 3.41Å; H1675-H1678 PolarHBondContact O-N 2.82Å; H1678-R1680 VanDerWaalsContact C-N 3.29Å; H1678-R1680 PolarHBondContact O-N 2.89Å; H1678-L1681 PolarHBondContact O-N 2.78Å; H1678-H1682 WeakPolarHBondContact O-CB 3.27Å; H1678-H1682 PolarHBondContact O-N 3.35Å; H1678-D1816 IonicContact CD2-OD1 3.99Å; H1678-D1816 IonicContact CE1-OD1 3.65Å; H1678-D1816 IonicContact NE2-OD1 3.87Å; H1678-D1816 PolarHBondContact NE2-OD1 2.95Å; H1678-T1819 HydrophobicContact CB-CG2 4.49Å; H1678-T1819 PolarHBondContact CD2-OG1 3.26Å; H1678-T1819 VanDerWaalsContact CD2-OG1 3.25Å
1679V68.5Low64.5Low81 Ų8153.5 Ų53.549%0.49125%0.254SS..Hα-helixtrans-59.3-42.21791720000111.1H1675 H1682 Y1683H1675-V1679 WeakPolarHBondContact O-CG2 3.36Å; H1675-V1679 PolarHBondContact O-N 3.1Å; V1679-H1682 PolarHBondContact O-N 2.9Å; V1679-Y1683 PolarHBondContact O-N 3.39Å
1680R64.6Low64.7Low45 Ų4552.7 Ų52.717%0.1725%0.245CC..Hα-helixtrans-71.5-39.8-177.5-166.1163.9166.2-177.4-17.3111.9Y1676 A1677 H1678 Y1683 Y1684 S1730 L1731Y1676-R1680 WeakPolarHBondContact O-CB 3.25Å; Y1676-R1680 PolarHBondContact O-N 2.85Å; Y1676-R1680 PolarHBondContact OH-NH1 3.03Å; A1677-R1680 PolarHBondContact O-N 3.42Å; H1678-R1680 VanDerWaalsContact C-N 3.29Å; H1678-R1680 PolarHBondContact O-N 2.89Å; R1680-Y1683 PolarHBondContact O-N 3.17Å; R1680-Y1684 HydrophobicContact CG-CE2 3.69Å; R1680-Y1684 WeakPolarHBondContact CG-OH 3.38Å; R1680-Y1684 PolarHBondContact NE-OH 2.92Å; R1680-Y1684 VanDerWaalsContact O-CD2 3.23Å; R1680-Y1684 WeakPolarHBondContact O-CD2 3.33Å; R1680-Y1684 PolarHBondContact O-N 3.47Å; R1680-Y1684 VanDerWaalsContact O-N 3.15Å; R1680-S1730 PolarHBondContact NH2-OG 3.38Å; R1680-L1731 HydrophobicContact CB-CD1 4.03Å; R1680-L1731 HydrophobicContact CG-CD1 3.67Å
1681L64.5Low65Low21 Ų2148.1 Ų48.111%0.1123%0.225CC..Hα-helixtrans-65.5-42.3171.2-74.9168.3000112.5A1677 H1678 Y1683 Y1684 A1685 L1728 F1738 V1815A1677-L1681 VanDerWaalsContact O-CB 3.29Å; A1677-L1681 WeakPolarHBondContact O-CB 3.35Å; A1677-L1681 VanDerWaalsContact O-CG 3.26Å; A1677-L1681 WeakPolarHBondContact O-CG 3.26Å; A1677-L1681 PolarHBondContact O-N 3.12Å; H1678-L1681 PolarHBondContact O-N 2.78Å; L1681-Y1683 VanDerWaalsContact C-N 3.3Å; L1681-Y1683 PolarHBondContact O-N 2.9Å; L1681-Y1684 PolarHBondContact O-N 3.4Å; L1681-Y1684 VanDerWaalsContact O-N 3.16Å; L1681-A1685 WeakPolarHBondContact O-CB 3.48Å; L1681-A1685 PolarHBondContact O-N 2.84Å; L1681-L1728 HydrophobicContact CD2-CD2 3.95Å; L1681-F1738 HydrophobicContact CD1-CE2 4.26Å; L1681-F1738 HydrophobicContact CD1-CZ 3.9Å; L1681-V1815 HydrophobicContact CD1-CG1 4.02Å; L1681-V1815 HydrophobicContact CD1-CG2 4.12Å
1682H66.8Low65.3Low83 Ų8346 Ų4638%0.38422%0.215SC..Hα-helixtrans-63.1-36.2176.6-175.4-83.8000111.8H1678 V1679 R1686 L1812H1678-H1682 WeakPolarHBondContact O-CB 3.27Å; H1678-H1682 PolarHBondContact O-N 3.35Å; V1679-H1682 PolarHBondContact O-N 2.9Å; H1682-R1686 WeakPolarHBondContact O-CB 3.39Å; H1682-R1686 PolarHBondContact O-N 3.42Å; H1682-R1686 VanDerWaalsContact O-N 3.08Å; H1682-L1812 HydrophobicContact CB-CD1 4.35Å
1683Y70.9Confident65.3Low109 Ų10945.7 Ų45.743%0.42721%0.214SC..Hα-helixtrans-63.5-43.3171.2175.6-89.2000112.5V1679 R1680 L1681 R1686 K1687V1679-Y1683 PolarHBondContact O-N 3.39Å; R1680-Y1683 PolarHBondContact O-N 3.17Å; L1681-Y1683 VanDerWaalsContact C-N 3.3Å; L1681-Y1683 PolarHBondContact O-N 2.9Å; Y1683-R1686 PolarHBondContact O-N 3.41Å; Y1683-K1687 HydrophobicContact CD1-CD 4.48Å; Y1683-K1687 HydrophobicContact CE1-CD 3.76Å; Y1683-K1687 HydrophobicContact CE1-CG 4.4Å; Y1683-K1687 PolarHBondContact O-N 2.97Å; Y1683-K1687 WeakPolarHBondContact OH-CE 3.48Å; Y1683-K1687 PolarHBondContact OH-NZ 3.41Å
1684Y64.8Low65.4Low8 Ų845 Ų453%0.03121%0.21CC..Hα-helixtrans-68-42.9176.9-58.2-35000112.7R1680 L1681 R1686 K1687 M1688 I1724 R1727 L1728 L1731R1680-Y1684 HydrophobicContact CG-CE2 3.69Å; R1680-Y1684 WeakPolarHBondContact CG-OH 3.38Å; R1680-Y1684 PolarHBondContact NE-OH 2.92Å; R1680-Y1684 VanDerWaalsContact O-CD2 3.23Å; R1680-Y1684 WeakPolarHBondContact O-CD2 3.33Å; R1680-Y1684 PolarHBondContact O-N 3.47Å; R1680-Y1684 VanDerWaalsContact O-N 3.15Å; L1681-Y1684 PolarHBondContact O-N 3.4Å; L1681-Y1684 VanDerWaalsContact O-N 3.16Å; Y1684-R1686 VanDerWaalsContact C-N 3.29Å; Y1684-R1686 PolarHBondContact O-N 2.96Å; Y1684-K1687 PolarHBondContact O-N 2.94Å; Y1684-K1687 VanDerWaalsContact O-N 3.12Å; Y1684-M1688 PolarHBondContact O-N 2.86Å; Y1684-I1724 HydrophobicContact CD1-CG1 4.49Å; Y1684-R1727 HydrophobicContact CE1-CB 4Å; Y1684-R1727 HydrophobicContact CE1-CG 4.46Å; Y1684-R1727 HydrophobicContact CE2-CB 4.08Å; Y1684-R1727 WeakPolarHBondContact OH-CB 3.5Å; Y1684-L1728 HydrophobicContact CD2-CD2 4.06Å; Y1684-L1728 HydrophobicContact CD2-CG 4.45Å; Y1684-L1731 HydrophobicContact CE2-CD1 3.91Å
1685A65.2Low65.6Low15 Ų1544.9 Ų44.912%0.12421%0.209CC..Hα-helixtrans-56.8-43.5174.500000111.4L1681 M1688 D1689 L1812L1681-A1685 WeakPolarHBondContact O-CB 3.48Å; L1681-A1685 PolarHBondContact O-N 2.84Å; A1685-M1688 PolarHBondContact O-N 3.19Å; A1685-D1689 PolarHBondContact O-N 3.31Å; A1685-L1812 HydrophobicContact CB-CD1 4.12Å; A1685-L1812 HydrophobicContact CB-CD2 4.21Å
1686R68.4Low65.5Low83 Ų8342.4 Ų42.431%0.31320%0.201SC..Hα-helixtrans-64.1-40.3175.7-170.9173.5-177.4154.80.2112.6H1682 Y1683 Y1684 D1689 H1690H1682-R1686 WeakPolarHBondContact O-CB 3.39Å; H1682-R1686 PolarHBondContact O-N 3.42Å; H1682-R1686 VanDerWaalsContact O-N 3.08Å; Y1683-R1686 PolarHBondContact O-N 3.41Å; Y1684-R1686 VanDerWaalsContact C-N 3.29Å; Y1684-R1686 PolarHBondContact O-N 2.96Å; R1686-D1689 WeakPolarHBondContact O-CB 3.49Å; R1686-D1689 PolarHBondContact O-N 3.38Å; R1686-H1690 PolarHBondContact O-CD2 3.28Å; R1686-H1690 VanDerWaalsContact O-CD2 3.27Å; R1686-H1690 PolarHBondContact O-N 3.26Å; R1686-H1690 VanDerWaalsContact O-N 3.08Å
1687K66.2Low65.3Low48 Ų4841.6 Ų41.621%0.20920%0.203CC..Hα-helixtrans-64.1-43.6174.4-86-167.6162.2-173.30112.4Y1683 Y1684 D1689 H1690 L1691 L1720 I1724Y1683-K1687 HydrophobicContact CD1-CD 4.48Å; Y1683-K1687 HydrophobicContact CE1-CD 3.76Å; Y1683-K1687 HydrophobicContact CE1-CG 4.4Å; Y1683-K1687 PolarHBondContact O-N 2.97Å; Y1683-K1687 WeakPolarHBondContact OH-CE 3.48Å; Y1683-K1687 PolarHBondContact OH-NZ 3.41Å; Y1684-K1687 PolarHBondContact O-N 2.94Å; Y1684-K1687 VanDerWaalsContact O-N 3.12Å; K1687-D1689 VanDerWaalsContact C-N 3.32Å; K1687-D1689 PolarHBondContact O-N 2.86Å; K1687-H1690 WeakPolarHBondContact O-CB 3.41Å; K1687-H1690 PolarHBondContact O-N 3.29Å; K1687-H1690 VanDerWaalsContact O-N 3.13Å; K1687-L1691 PolarHBondContact O-N 3.17Å; K1687-L1720 HydrophobicContact CB-CD2 4.1Å; K1687-L1720 HydrophobicContact CD-CD1 4.04Å; K1687-L1720 HydrophobicContact CD-CD2 4.3Å; K1687-L1720 HydrophobicContact CD-CG 4.25Å; K1687-L1720 HydrophobicContact CG-CD2 4.38Å; K1687-I1724 HydrophobicContact CB-CD1 3.86Å
1688M64.9Low65Low4 Ų443.1 Ų43.12%0.0221%0.21CC..Hα-helixtrans-59.9-41.9173.7-73.8-60.6-7800111.8Y1684 A1685 H1690 L1691 C1692 L1721 I1724 L1753 Y1808Y1684-M1688 PolarHBondContact O-N 2.86Å; A1685-M1688 PolarHBondContact O-N 3.19Å; M1688-H1690 VanDerWaalsContact C-N 3.3Å; M1688-H1690 PolarHBondContact O-N 2.88Å; M1688-L1691 PolarHBondContact O-N 3.34Å; M1688-C1692 WeakPolarHBondContact O-CB 3.35Å; M1688-C1692 PolarHBondContact O-N 3.17Å; M1688-C1692 PolarHBondContact O-SG 3.36Å; M1688-L1721 HydrophobicContact CE-CD1 3.89Å; M1688-L1721 HydrophobicContact SD-CD1 3.6Å; M1688-I1724 HydrophobicContact CG-CD1 4.04Å; M1688-I1724 HydrophobicContact CG-CG2 4.43Å; M1688-I1724 HydrophobicContact SD-CD1 3.77Å; M1688-I1724 HydrophobicContact SD-CG2 4.41Å; M1688-L1753 HydrophobicContact CE-CD2 3.95Å; M1688-Y1808 HydrophobicContact CE-CD2 4.18Å; M1688-Y1808 HydrophobicContact CE-CE2 3.6Å; M1688-Y1808 HydrophobicContact CG-CD1 4.24Å; M1688-Y1808 HydrophobicContact CG-CE1 3.86Å
1689D68Low64.5Low33 Ų3342.6 Ų42.618%0.17621%0.21CC..Hα-helixtrans-60.3-37.5174.4-117.4-5.3000112.4A1685 R1686 K1687 M1693 R1805 H1809A1685-D1689 PolarHBondContact O-N 3.31Å; R1686-D1689 WeakPolarHBondContact O-CB 3.49Å; R1686-D1689 PolarHBondContact O-N 3.38Å; K1687-D1689 VanDerWaalsContact C-N 3.32Å; K1687-D1689 PolarHBondContact O-N 2.86Å; D1689-M1693 VanDerWaalsContact O-CB 3.26Å; D1689-M1693 WeakPolarHBondContact O-CB 3.28Å; D1689-M1693 WeakPolarHBondContact O-CG 3.16Å; D1689-M1693 PolarHBondContact O-N 2.84Å; D1689-M1693 VanDerWaalsContact O-N 3.09Å; D1689-R1805 IonicContact OD1-CZ 3.7Å; D1689-R1805 VanDerWaalsContact OD1-CZ 3.27Å; D1689-R1805 IonicContact OD1-NE 3.97Å; D1689-R1805 PolarHBondContact OD1-NE 3.39Å; D1689-R1805 IonicContact OD1-NH2 3.42Å; D1689-R1805 PolarHBondContact OD1-NH2 2.98Å; D1689-R1805 VanDerWaalsContact OD1-NH2 3.09Å; D1689-R1805 IonicContact OD2-NH2 3.65Å; D1689-H1809 IonicContact OD1-CE1 3.69Å; D1689-H1809 IonicContact OD1-NE2 3.6Å; D1689-H1809 IonicContact OD2-CE1 2.71Å; D1689-H1809 PolarHBondContact OD2-CE1 2.7Å; D1689-H1809 IonicContact OD2-NE2 3.74Å
1690H68Low63.5Low61 Ų6141.1 Ų41.128%0.28221%0.211SC..Hα-helixtrans-67.6-44173.9-88.5-92.1000112.3K140 R1686 K1687 M1688 M1693 S1694K140-H1690 WeakPolarHBondContact CD-NE2 3.46Å; K140-H1690 PolarHBondContact NZ-CD2 2.98Å; K140-H1690 PolarHBondContact NZ-CE1 3.31Å; K140-H1690 VanDerWaalsContact NZ-CE1 3.27Å; K140-H1690 PolarHBondContact NZ-ND1 2.85Å; K140-H1690 PolarHBondContact NZ-NE2 2.9Å; K140-H1690 VanDerWaalsContact NZ-NE2 3.17Å; R1686-H1690 PolarHBondContact O-CD2 3.28Å; R1686-H1690 VanDerWaalsContact O-CD2 3.27Å; R1686-H1690 PolarHBondContact O-N 3.26Å; R1686-H1690 VanDerWaalsContact O-N 3.08Å; K1687-H1690 WeakPolarHBondContact O-CB 3.41Å; K1687-H1690 PolarHBondContact O-N 3.29Å; K1687-H1690 VanDerWaalsContact O-N 3.13Å; M1688-H1690 VanDerWaalsContact C-N 3.3Å; M1688-H1690 PolarHBondContact O-N 2.88Å; H1690-M1693 PolarHBondContact O-N 2.95Å; H1690-S1694 PolarHBondContact O-N 2.91Å
1691L66.6Low62.6Low5 Ų547 Ų473%0.02624%0.238CC..Hα-helixtrans-66.2-48.4-179.9-161163.6000111.1K1687 M1688 M1693 S1694 L1695 S1717 L1720 L1721 I1757K1687-L1691 PolarHBondContact O-N 3.17Å; M1688-L1691 PolarHBondContact O-N 3.34Å; L1691-M1693 VanDerWaalsContact C-N 3.32Å; L1691-M1693 PolarHBondContact O-N 2.88Å; L1691-S1694 PolarHBondContact O-N 3.38Å; L1691-L1695 HydrophobicContact CD2-CD1 3.55Å; L1691-L1695 HydrophobicContact CD2-CG 4.12Å; L1691-L1695 PolarHBondContact O-N 3.16Å; L1691-S1717 WeakPolarHBondContact CD1-O 3.3Å; L1691-L1720 HydrophobicContact CB-CD2 4.29Å; L1691-L1720 HydrophobicContact CD1-CB 4.17Å; L1691-L1720 HydrophobicContact CD1-CD2 3.86Å; L1691-L1721 HydrophobicContact CD1-CB 4.21Å; L1691-L1721 HydrophobicContact CD1-CD1 3.63Å; L1691-L1721 HydrophobicContact CD2-CD1 4.39Å; L1691-I1757 HydrophobicContact CD2-CD1 4.27Å
1692C66.4Low61.2Low7 Ų748.2 Ų48.25%0.04725%0.248CC..Hα-helixtrans-57.9-41.2173.6-68.80000112.5M1688 V1696 I1801M1688-C1692 WeakPolarHBondContact O-CB 3.35Å; M1688-C1692 PolarHBondContact O-N 3.17Å; M1688-C1692 PolarHBondContact O-SG 3.36Å; C1692-V1696 WeakPolarHBondContact O-CB 3.34Å; C1692-V1696 VanDerWaalsContact O-CG2 3.27Å; C1692-V1696 WeakPolarHBondContact O-CG2 3.32Å; C1692-V1696 PolarHBondContact O-N 2.84Å; C1692-I1801 HydrophobicContact CB-CG2 3.68Å
1693M65.5Low59.7Low68 Ų6848.3 Ų48.334%0.33526%0.258SS..Hα-helixtrans-69.3-36.6176.4-74.8-64.9-57.900112.7D1689 H1690 L1691 N1697D1689-M1693 VanDerWaalsContact O-CB 3.26Å; D1689-M1693 WeakPolarHBondContact O-CB 3.28Å; D1689-M1693 WeakPolarHBondContact O-CG 3.16Å; D1689-M1693 PolarHBondContact O-N 2.84Å; D1689-M1693 VanDerWaalsContact O-N 3.09Å; H1690-M1693 PolarHBondContact O-N 2.95Å; L1691-M1693 VanDerWaalsContact C-N 3.32Å; L1691-M1693 PolarHBondContact O-N 2.88Å; M1693-N1697 VanDerWaalsContact O-CB 3.25Å; M1693-N1697 WeakPolarHBondContact O-CB 3.48Å; M1693-N1697 PolarHBondContact O-N 3.49Å; M1693-N1697 PolarHBondContact O-ND2 3.22Å
1694S62.8Low58Low20 Ų2052.4 Ų52.414%0.1428%0.278CS..Hα-helixtrans-65-47.5175.9-158.90000110.7E133 H1690 L1691 V1696 N1697 Q1698E133-S1694 PolarHBondContact OE1-OG 3.43Å; H1690-S1694 PolarHBondContact O-N 2.91Å; L1691-S1694 PolarHBondContact O-N 3.38Å; S1694-V1696 PolarHBondContact O-N 3.49Å; S1694-N1697 PolarHBondContact O-N 2.59Å; S1694-Q1698 WeakPolarHBondContact O-CB 3.27Å; S1694-Q1698 VanDerWaalsContact O-CG 3.24Å; S1694-Q1698 WeakPolarHBondContact O-CG 3.42Å; S1694-Q1698 PolarHBondContact O-N 2.88Å; S1694-Q1698 PolarHBondContact OG-NE2 2.82Å
1695L62.3Low56.8Low9 Ų961 Ų615%0.04732%0.316CS..Hα-helixtrans-58.2-48.4174.3-71.9172.8000112.5L1691 N1697 Q1698 C1699 I1757 I1801L1691-L1695 HydrophobicContact CD2-CD1 3.55Å; L1691-L1695 HydrophobicContact CD2-CG 4.12Å; L1691-L1695 PolarHBondContact O-N 3.16Å; L1695-N1697 VanDerWaalsContact C-N 3.34Å; L1695-N1697 PolarHBondContact O-N 2.83Å; L1695-Q1698 PolarHBondContact O-N 2.87Å; L1695-C1699 WeakPolarHBondContact O-CB 3.25Å; L1695-C1699 PolarHBondContact O-N 2.87Å; L1695-C1699 PolarHBondContact O-SG 3.32Å; L1695-I1757 HydrophobicContact CD1-CD1 4.02Å; L1695-I1757 HydrophobicContact CD1-CG1 4.45Å; L1695-I1801 HydrophobicContact CB-CD1 3.9Å; L1695-I1801 HydrophobicContact CD1-CD1 4.44Å
1696V63.1Low55.6Low45 Ų4561.8 Ų61.827%0.27332%0.32SS..Hα-helixtrans-62.5-40.1179.1168.40000111.9C1692 S1694 G1700 I1801C1692-V1696 WeakPolarHBondContact O-CB 3.34Å; C1692-V1696 VanDerWaalsContact O-CG2 3.27Å; C1692-V1696 WeakPolarHBondContact O-CG2 3.32Å; C1692-V1696 PolarHBondContact O-N 2.84Å; S1694-V1696 PolarHBondContact O-N 3.49Å; V1696-G1700 PolarHBondContact O-N 2.88Å; V1696-G1700 VanDerWaalsContact O-N 3.14Å; V1696-I1801 HydrophobicContact CG2-CB 4.22Å; V1696-I1801 HydrophobicContact CG2-CD1 4.04Å; V1696-I1801 HydrophobicContact CG2-CG2 3.71Å
1697N60.7Low54.3Low90 Ų9062.5 Ų62.548%0.48133%0.327SS..Hα-helixtrans-69.1-38.7178-75.1-18.9000112.4M1693 S1694 L1695 G1700M1693-N1697 VanDerWaalsContact O-CB 3.25Å; M1693-N1697 WeakPolarHBondContact O-CB 3.48Å; M1693-N1697 PolarHBondContact O-N 3.49Å; M1693-N1697 PolarHBondContact O-ND2 3.22Å; S1694-N1697 PolarHBondContact O-N 2.59Å; L1695-N1697 VanDerWaalsContact C-N 3.34Å; L1695-N1697 PolarHBondContact O-N 2.83Å; N1697-G1700 PolarHBondContact O-N 3.15Å
1698Q54.3Low53Low35 Ų3565.2 Ų65.216%0.16434%0.341CS..Hα-helixtrans-68.5-45.6177.1-70.2177.842.600111.3S1694 L1695 G1700 K1701 C1702 N1713S1694-Q1698 WeakPolarHBondContact O-CB 3.27Å; S1694-Q1698 VanDerWaalsContact O-CG 3.24Å; S1694-Q1698 WeakPolarHBondContact O-CG 3.42Å; S1694-Q1698 PolarHBondContact O-N 2.88Å; S1694-Q1698 PolarHBondContact OG-NE2 2.82Å; L1695-Q1698 PolarHBondContact O-N 2.87Å; Q1698-G1700 PolarHBondContact O-N 3.32Å; Q1698-G1700 VanDerWaalsContact O-N 3.13Å; Q1698-K1701 PolarHBondContact O-N 3.44Å; Q1698-C1702 PolarHBondContact O-N 3.29Å; Q1698-C1702 PolarHBondContact O-SG 2.78Å; Q1698-N1713 PolarHBondContact NE2-ND2 3.24Å
1699C52Low51.9Low25 Ų2566.1 Ų66.117%0.16935%0.346CS..Hα-helixtrans-61.6-19.9172.9-68.60000113.6L1695 R1794 L1797L1695-C1699 WeakPolarHBondContact O-CB 3.25Å; L1695-C1699 PolarHBondContact O-N 2.87Å; L1695-C1699 PolarHBondContact O-SG 3.32Å; C1699-R1794 VanDerWaalsContact O-CD 3.31Å; C1699-R1794 WeakPolarHBondContact O-CD 3.17Å; C1699-R1794 PolarHBondContact O-NE 3.39Å; C1699-R1794 PolarHBondContact O-NH1 2.84Å; C1699-L1797 HydrophobicContact CB-CD2 4.36Å; C1699-L1797 WeakPolarHBondContact SG-CD2 3.4Å
1700G46.8Very low50.9Low49 Ų4966.5 Ų66.551%0.50535%0.348SS..Hα-helixtrans-76.2-25.1171.900000115.1V1696 N1697 Q1698V1696-G1700 PolarHBondContact O-N 2.88Å; V1696-G1700 VanDerWaalsContact O-N 3.14Å; N1697-G1700 PolarHBondContact O-N 3.15Å; Q1698-G1700 PolarHBondContact O-N 3.32Å; Q1698-G1700 VanDerWaalsContact O-N 3.13Å
1701K47.4Very low50.1Low168 Ų16865.6 Ų65.673%0.7335%0.348SS*.Hα-helixtrans-119.6-4.6-163.1-67.8-171.1178.4-170.50116.5Q1698 S1703Q1698-K1701 PolarHBondContact O-N 3.44Å; K1701-S1703 PolarHBondContact O-N 3.26Å
1702C35.1Very low49.4Very low47 Ų4765.9 Ų65.932%0.31835%0.351SS..  trans-62.8104.9-175.2-68.10000113.5Q1698Q1698-C1702 PolarHBondContact O-N 3.29Å; Q1698-C1702 PolarHBondContact O-SG 2.78Å
1703S34.4Very low48.9Very low85 Ų8565.9 Ų65.959%0.59435%0.35SS*.  trans-101.1158.8154.376.60000109.8K1701 K1705 S1706K1701-S1703 PolarHBondContact O-N 3.26Å; S1703-K1705 PolarHBondContact O-N 2.91Å; S1703-S1706 PolarHBondContact O-N 3.13Å; S1703-S1706 PolarHBondContact O-OG 2.97Å
1704F36.1Very low48.7Very low195 Ų19563.1 Ų63.186%0.85534%0.337SS*.THydrogen-bonded Turntrans-53.4-1.6-169.5-109.8-89.4000118.1
1705K39.3Very low48.8Very low190 Ų19065.8 Ų65.883%0.82635%0.349SS*.THydrogen-bonded Turntrans-104.313.5-179.5-65.6-168.9172.9-169.80114.7S1703S1703-K1705 PolarHBondContact O-N 2.91Å
1706S40.1Very low48.9Very low30 Ų3070 Ų7021%0.2137%0.367CS..  trans-112.7-0.6-169.951.80000116.1S1703 Q1708 V1709 L1710S1703-S1706 PolarHBondContact O-N 3.13Å; S1703-S1706 PolarHBondContact O-OG 2.97Å; S1706-Q1708 VanDerWaalsContact C-N 3.32Å; S1706-Q1708 PolarHBondContact O-N 2.94Å; S1706-V1709 PolarHBondContact O-N 3.14Å; S1706-L1710 PolarHBondContact O-N 3.22Å
1707Q39.8Very low48.8Very low98 Ų9868.4 Ų68.446%0.45836%0.358SS..Hα-helixtrans-57.1-34.7-174.7-87.2166.5-53.700115.3V1709 L1710Q1707-V1709 PolarHBondContact O-N 2.95Å; Q1707-L1710 WeakPolarHBondContact O-CB 3.28Å; Q1707-L1710 PolarHBondContact O-N 3.35Å
1708Q39.4Very low49.1Very low106 Ų10665 Ų6550%0.49534%0.341SS..Hα-helixtrans-72.2-29.8-178.3-142.1167.215.100113.4S1706S1706-Q1708 VanDerWaalsContact C-N 3.32Å; S1706-Q1708 PolarHBondContact O-N 2.94Å
1709V41.5Very low49.9Very low22 Ų2268.2 Ų68.213%0.13336%0.359CS..Hα-helixtrans-81.3-25.5178.2118.50000111.4K125 I129 S1706 Q1707 S1712 N1713K125-V1709 HydrophobicContact CB-CG2 4.12Å; K125-V1709 HydrophobicContact CD-CG2 3.62Å; K125-V1709 HydrophobicContact CG-CG2 4.18Å; I129-V1709 HydrophobicContact CD1-CB 4.32Å; I129-V1709 HydrophobicContact CD1-CG1 3.67Å; S1706-V1709 PolarHBondContact O-N 3.14Å; Q1707-V1709 PolarHBondContact O-N 2.95Å; V1709-S1712 PolarHBondContact O-OG 2.7Å; V1709-N1713 PolarHBondContact O-N 3Å
1710L47.2Very low50.7Low42 Ų4269.4 Ų69.422%0.2236%0.363CS..Hα-helixtrans-59.1-48.4175.8-85.7155.4000111.1S1706 Q1707 S1712 N1713 I1714S1706-L1710 PolarHBondContact O-N 3.22Å; Q1707-L1710 WeakPolarHBondContact O-CB 3.28Å; Q1707-L1710 PolarHBondContact O-N 3.35Å; L1710-S1712 PolarHBondContact O-N 2.93Å; L1710-N1713 PolarHBondContact O-N 3.34Å; L1710-I1714 HydrophobicContact CB-CD1 4.33Å; L1710-I1714 WeakPolarHBondContact O-CB 3.36Å; L1710-I1714 WeakPolarHBondContact O-CD1 3.47Å; L1710-I1714 WeakPolarHBondContact O-CG1 3.4Å; L1710-I1714 PolarHBondContact O-N 3.03Å
1711S51Low51.7Low41 Ų4167.1 Ų67.129%0.28734%0.34SS..Hα-helixtrans-53.3-59.3176.7132.30000111.2N1713 I1714 D1715S1711-N1713 PolarHBondContact O-N 3.35Å; S1711-I1714 CarbonylContact O-C 3.6Å; S1711-I1714 WeakPolarHBondContact O-CA 3.34Å; S1711-I1714 WeakPolarHBondContact O-CB 3.12Å; S1711-I1714 PolarHBondContact O-N 3.18Å; S1711-D1715 VanDerWaalsContact C-OD2 3.3Å; S1711-D1715 PolarHBondContact O-N 2.79Å; S1711-D1715 VanDerWaalsContact O-OD2 3.05Å; S1711-D1715 PolarHBondContact OG-OD2 2.95Å
1712S52.6Low53Low11 Ų1160 Ų608%0.07731%0.31CS..Hα-helixtrans-65.9-15.4-173.772.90000116.1K126 V1709 L1710 D1715 K1716K126-S1712 WeakPolarHBondContact CE-OG 3.36Å; V1709-S1712 PolarHBondContact O-OG 2.7Å; L1710-S1712 PolarHBondContact O-N 2.93Å; S1712-D1715 WeakPolarHBondContact CA-OD2 3.07Å; S1712-K1716 WeakPolarHBondContact O-CD 3.29Å; S1712-K1716 WeakPolarHBondContact O-CG 3.36Å
1713N56.6Low54.7Low8 Ų859.3 Ų59.34%0.04331%0.305CS..Hα-helixtrans-93.3-29.3171.8-82.1-0.2000112.3Q1698 V1709 L1710 S1711 S1717Q1698-N1713 PolarHBondContact NE2-ND2 3.24Å; V1709-N1713 PolarHBondContact O-N 3Å; L1710-N1713 PolarHBondContact O-N 3.34Å; S1711-N1713 PolarHBondContact O-N 3.35Å; N1713-S1717 VanDerWaalsContact O-CB 3.31Å; N1713-S1717 WeakPolarHBondContact O-CB 3.44Å; N1713-S1717 PolarHBondContact O-N 3.41Å; N1713-S1717 VanDerWaalsContact O-N 3.09Å; N1713-S1717 PolarHBondContact O-OG 3.46Å
1714I60.8Low56.2Low10 Ų1055.4 Ų55.45%0.05128%0.277CS..Hα-helixtrans-64.4-48.9169.1-73.3165.3000108.5L1710 S1711 K1716 S1717 T1718 I1757 L1760L1710-I1714 HydrophobicContact CB-CD1 4.33Å; L1710-I1714 WeakPolarHBondContact O-CB 3.36Å; L1710-I1714 WeakPolarHBondContact O-CD1 3.47Å; L1710-I1714 WeakPolarHBondContact O-CG1 3.4Å; L1710-I1714 PolarHBondContact O-N 3.03Å; S1711-I1714 CarbonylContact O-C 3.6Å; S1711-I1714 WeakPolarHBondContact O-CA 3.34Å; S1711-I1714 WeakPolarHBondContact O-CB 3.12Å; S1711-I1714 PolarHBondContact O-N 3.18Å; I1714-K1716 PolarHBondContact O-N 3.26Å; I1714-S1717 CarbonylContact O-C 3.55Å; I1714-S1717 WeakPolarHBondContact O-CA 3.4Å; I1714-S1717 WeakPolarHBondContact O-CB 3.32Å; I1714-S1717 PolarHBondContact O-N 2.81Å; I1714-T1718 PolarHBondContact O-N 3.29Å; I1714-T1718 PolarHBondContact O-OG1 3.27Å; I1714-I1757 HydrophobicContact CG2-CG2 3.85Å; I1714-L1760 HydrophobicContact CD1-CB 4.42Å
1715D64.2Low58Low75 Ų7546.3 Ų46.340%0.40124%0.238SC..Hα-helixtrans-56.6-48.4179.5-52.6-29.1000111.7S1711 S1712 S1717 T1718 D1719S1711-D1715 VanDerWaalsContact C-OD2 3.3Å; S1711-D1715 PolarHBondContact O-N 2.79Å; S1711-D1715 VanDerWaalsContact O-OD2 3.05Å; S1711-D1715 PolarHBondContact OG-OD2 2.95Å; S1712-D1715 WeakPolarHBondContact CA-OD2 3.07Å; D1715-S1717 VanDerWaalsContact C-N 3.26Å; D1715-S1717 PolarHBondContact O-N 2.98Å; D1715-T1718 WeakPolarHBondContact CA-OG1 3.42Å; D1715-T1718 PolarHBondContact O-N 3.16Å; D1715-T1718 PolarHBondContact O-OG1 3.37Å; D1715-D1719 VanDerWaalsContact O-CG 3.26Å; D1715-D1719 PolarHBondContact O-N 2.88Å
1716K64.2Low59.6Low97 Ų9743.2 Ų43.242%0.42222%0.221SC..Hα-helixtrans-64.1-29.5173.7-71.9173.5-176.61740113.6S1712 I1714 L1720S1712-K1716 WeakPolarHBondContact O-CD 3.29Å; S1712-K1716 WeakPolarHBondContact O-CG 3.36Å; I1714-K1716 PolarHBondContact O-N 3.26Å; K1716-L1720 WeakPolarHBondContact O-CB 3.32Å; K1716-L1720 PolarHBondContact O-N 3.39Å; K1716-L1720 VanDerWaalsContact O-N 3.14Å
1717S61Low60.8Low12 Ų1246.5 Ų46.58%0.08423%0.229CC..Hα-helixtrans-76.4-39.3177.6-610000110.7L1691 N1713 I1714 D1715 L1720 L1721L1691-S1717 WeakPolarHBondContact CD1-O 3.3Å; N1713-S1717 VanDerWaalsContact O-CB 3.31Å; N1713-S1717 WeakPolarHBondContact O-CB 3.44Å; N1713-S1717 PolarHBondContact O-N 3.41Å; N1713-S1717 VanDerWaalsContact O-N 3.09Å; N1713-S1717 PolarHBondContact O-OG 3.46Å; I1714-S1717 CarbonylContact O-C 3.55Å; I1714-S1717 WeakPolarHBondContact O-CA 3.4Å; I1714-S1717 WeakPolarHBondContact O-CB 3.32Å; I1714-S1717 PolarHBondContact O-N 2.81Å; D1715-S1717 VanDerWaalsContact C-N 3.26Å; D1715-S1717 PolarHBondContact O-N 2.98Å; S1717-L1720 PolarHBondContact O-N 3.4Å; S1717-L1721 WeakPolarHBondContact O-CB 3.28Å; S1717-L1721 PolarHBondContact O-N 2.92Å
1718T67.8Low62Low18 Ų1842.4 Ų42.411%0.1121%0.21CC..Hα-helixtrans-62.8-46.8171.3410000111I1714 D1715 L1720 L1721 I1722 L1754 I1757 Q1758I1714-T1718 PolarHBondContact O-N 3.29Å; I1714-T1718 PolarHBondContact O-OG1 3.27Å; D1715-T1718 WeakPolarHBondContact CA-OG1 3.42Å; D1715-T1718 PolarHBondContact O-N 3.16Å; D1715-T1718 PolarHBondContact O-OG1 3.37Å; T1718-L1720 VanDerWaalsContact C-N 3.32Å; T1718-L1720 PolarHBondContact O-N 3.27Å; T1718-L1721 PolarHBondContact O-N 3.45Å; T1718-L1721 VanDerWaalsContact O-N 3.12Å; T1718-I1722 WeakPolarHBondContact O-CB 3.4Å; T1718-I1722 VanDerWaalsContact O-CG1 3.23Å; T1718-I1722 WeakPolarHBondContact O-CG1 3.44Å; T1718-I1722 PolarHBondContact O-N 2.86Å; T1718-L1754 HydrophobicContact CG2-CD1 4.17Å; T1718-I1757 HydrophobicContact CG2-CB 4.38Å; T1718-I1757 HydrophobicContact CG2-CG2 3.6Å; T1718-Q1758 HydrophobicContact CG2-CG 4.11Å
1719D71.4Confident63.4Low104 Ų10437.8 Ų37.856%0.55619%0.188SC*.Hα-helixtrans-57.2-44.4176.8-69.4-18.7000112.3D1715 S1723D1715-D1719 VanDerWaalsContact O-CG 3.26Å; D1715-D1719 PolarHBondContact O-N 2.88Å; D1719-S1723 WeakPolarHBondContact O-CB 3.38Å; D1719-S1723 PolarHBondContact O-N 3.19Å
1720L67.9Low64.6Low49 Ų4938.9 Ų38.926%0.25720%0.197SC..Hα-helixtrans-68.4-37.4179-159.499000111.5K1687 L1691 K1716 S1717 T1718 I1724K1687-L1720 HydrophobicContact CB-CD2 4.1Å; K1687-L1720 HydrophobicContact CD-CD1 4.04Å; K1687-L1720 HydrophobicContact CD-CD2 4.3Å; K1687-L1720 HydrophobicContact CD-CG 4.25Å; K1687-L1720 HydrophobicContact CG-CD2 4.38Å; L1691-L1720 HydrophobicContact CB-CD2 4.29Å; L1691-L1720 HydrophobicContact CD1-CB 4.17Å; L1691-L1720 HydrophobicContact CD1-CD2 3.86Å; K1716-L1720 WeakPolarHBondContact O-CB 3.32Å; K1716-L1720 PolarHBondContact O-N 3.39Å; K1716-L1720 VanDerWaalsContact O-N 3.14Å; S1717-L1720 PolarHBondContact O-N 3.4Å; T1718-L1720 VanDerWaalsContact C-N 3.32Å; T1718-L1720 PolarHBondContact O-N 3.27Å; L1720-I1724 HydrophobicContact CD2-CD1 4.19Å; L1720-I1724 HydrophobicContact CG-CD1 4.36Å; L1720-I1724 VanDerWaalsContact O-CD1 3.3Å; L1720-I1724 WeakPolarHBondContact O-CD1 3.26Å; L1720-I1724 WeakPolarHBondContact O-CG1 3.41Å; L1720-I1724 PolarHBondContact O-N 3.38Å
1721L68.6Low65.2Low1 Ų137.2 Ų37.21%0.00519%0.188CC..Hα-helixtrans-70.2-45.9178.5-150.584.6000111.4M1688 L1691 S1717 T1718 S1723 I1724 I1725 S1750 L1753 L1754 I1757M1688-L1721 HydrophobicContact CE-CD1 3.89Å; M1688-L1721 HydrophobicContact SD-CD1 3.6Å; L1691-L1721 HydrophobicContact CD1-CB 4.21Å; L1691-L1721 HydrophobicContact CD1-CD1 3.63Å; L1691-L1721 HydrophobicContact CD2-CD1 4.39Å; S1717-L1721 WeakPolarHBondContact O-CB 3.28Å; S1717-L1721 PolarHBondContact O-N 2.92Å; T1718-L1721 PolarHBondContact O-N 3.45Å; T1718-L1721 VanDerWaalsContact O-N 3.12Å; L1721-S1723 VanDerWaalsContact C-N 3.32Å; L1721-S1723 PolarHBondContact O-N 2.92Å; L1721-I1724 CarbonylContact O-C 3.58Å; L1721-I1724 WeakPolarHBondContact O-CA 3.43Å; L1721-I1724 WeakPolarHBondContact O-CB 3.45Å; L1721-I1724 PolarHBondContact O-N 3.11Å; L1721-I1725 HydrophobicContact CD2-CD1 4.47Å; L1721-I1725 HydrophobicContact CG-CD1 4.49Å; L1721-I1725 WeakPolarHBondContact O-CG1 3.45Å; L1721-I1725 PolarHBondContact O-N 3.24Å; L1721-S1750 WeakPolarHBondContact CD2-O 3.38Å; L1721-L1753 HydrophobicContact CD1-CD2 3.96Å; L1721-L1753 HydrophobicContact CD2-CB 4.21Å; L1721-L1753 HydrophobicContact CD2-CD2 4.38Å; L1721-L1753 HydrophobicContact CD2-CG 4.12Å; L1721-L1754 HydrophobicContact CB-CD1 4.19Å; L1721-L1754 HydrophobicContact CD2-CB 3.82Å; L1721-L1754 HydrophobicContact CD2-CD1 3.9Å; L1721-I1757 HydrophobicContact CD2-CD1 4.37Å
1722I74.6Confident65.7Low20 Ų2036.5 Ų36.510%0.10318%0.183CC..Hα-helixtrans-58.6-45.6173.2-68.1165.3000109.8T1718 I1724 I1725 R1726 L1754T1718-I1722 WeakPolarHBondContact O-CB 3.4Å; T1718-I1722 VanDerWaalsContact O-CG1 3.23Å; T1718-I1722 WeakPolarHBondContact O-CG1 3.44Å; T1718-I1722 PolarHBondContact O-N 2.86Å; I1722-I1724 PolarHBondContact O-N 3.46Å; I1722-I1725 PolarHBondContact O-N 2.81Å; I1722-R1726 HydrophobicContact CG2-CG 4.27Å; I1722-R1726 VanDerWaalsContact CG2-CZ 3.46Å; I1722-R1726 VanDerWaalsContact CG2-NE 3.34Å; I1722-R1726 VanDerWaalsContact CG2-NH2 3.29Å; I1722-R1726 WeakPolarHBondContact O-CG 3.21Å; I1722-R1726 PolarHBondContact O-N 2.76Å; I1722-L1754 HydrophobicContact CD1-CD1 4.18Å; I1722-L1754 HydrophobicContact CG1-CD1 3.65Å; I1722-L1754 HydrophobicContact CG1-CD2 4.03Å
1723S70.3Confident66.2Low32 Ų3239.9 Ų39.922%0.22420%0.2CC..Hα-helixtrans-61.9-27.1174.4178.50000113.1D1719 L1721 R1727D1719-S1723 WeakPolarHBondContact O-CB 3.38Å; D1719-S1723 PolarHBondContact O-N 3.19Å; L1721-S1723 VanDerWaalsContact C-N 3.32Å; L1721-S1723 PolarHBondContact O-N 2.92Å; S1723-R1727 WeakPolarHBondContact O-CB 3.34Å; S1723-R1727 WeakPolarHBondContact O-CD 3.36Å; S1723-R1727 WeakPolarHBondContact O-CG 3.36Å; S1723-R1727 PolarHBondContact O-N 3.5Å; S1723-R1727 PolarHBondContact OG-NE 2.85Å
1724I67Low66.2Low2 Ų245.3 Ų45.31%0.0123%0.225CC..Hα-helixtrans-79.9-42.4174.7-70.4159.7000110.2Y1684 K1687 M1688 L1720 L1721 I1722 R1727 L1728Y1684-I1724 HydrophobicContact CD1-CG1 4.49Å; K1687-I1724 HydrophobicContact CB-CD1 3.86Å; M1688-I1724 HydrophobicContact CG-CD1 4.04Å; M1688-I1724 HydrophobicContact CG-CG2 4.43Å; M1688-I1724 HydrophobicContact SD-CD1 3.77Å; M1688-I1724 HydrophobicContact SD-CG2 4.41Å; L1720-I1724 HydrophobicContact CD2-CD1 4.19Å; L1720-I1724 HydrophobicContact CG-CD1 4.36Å; L1720-I1724 VanDerWaalsContact O-CD1 3.3Å; L1720-I1724 WeakPolarHBondContact O-CD1 3.26Å; L1720-I1724 WeakPolarHBondContact O-CG1 3.41Å; L1720-I1724 PolarHBondContact O-N 3.38Å; L1721-I1724 CarbonylContact O-C 3.58Å; L1721-I1724 WeakPolarHBondContact O-CA 3.43Å; L1721-I1724 WeakPolarHBondContact O-CB 3.45Å; L1721-I1724 PolarHBondContact O-N 3.11Å; I1722-I1724 PolarHBondContact O-N 3.46Å; I1724-R1727 PolarHBondContact O-N 2.87Å; I1724-L1728 HydrophobicContact CG2-CD1 3.8Å; I1724-L1728 HydrophobicContact CG2-CG 4.27Å; I1724-L1728 WeakPolarHBondContact O-CB 3.39Å; I1724-L1728 VanDerWaalsContact O-CG 3.32Å; I1724-L1728 WeakPolarHBondContact O-CG 3.5Å; I1724-L1728 PolarHBondContact O-N 3.46Å
1725I72.5Confident65.9Low4 Ų446.5 Ų46.52%0.02123%0.232CC..Hα-helixtrans-58.9-58.4176.7-68.7165.1000110.5L1721 I1722 R1727 L1728 E1729 R1751 L1754L1721-I1725 HydrophobicContact CD2-CD1 4.47Å; L1721-I1725 HydrophobicContact CG-CD1 4.49Å; L1721-I1725 WeakPolarHBondContact O-CG1 3.45Å; L1721-I1725 PolarHBondContact O-N 3.24Å; I1722-I1725 PolarHBondContact O-N 2.81Å; I1725-R1727 PolarHBondContact O-N 3.34Å; I1725-R1727 VanDerWaalsContact O-N 3.11Å; I1725-L1728 PolarHBondContact O-N 2.84Å; I1725-E1729 VanDerWaalsContact CG2-OE1 3.31Å; I1725-E1729 WeakPolarHBondContact CG2-OE1 3.37Å; I1725-E1729 WeakPolarHBondContact O-CG 3.49Å; I1725-E1729 PolarHBondContact O-N 2.84Å; I1725-R1751 HydrophobicContact CD1-CG 4.33Å; I1725-L1754 HydrophobicContact CD1-CB 4.38Å; I1725-L1754 HydrophobicContact CD1-CD2 4.31Å
1726R73.6Confident65.5Low125 Ų12551 Ų5147%0.47226%0.256SS..Hα-helixtrans-57-32.3178.6-62.7-174.2-161.8154.68.5112.6D995 I1722 S1730D995-R1726 IonicContact OD1-CZ 2.73Å; D995-R1726 IonicContact OD1-NE 3.74Å; D995-R1726 IonicContact OD1-NH2 2.71Å; D995-R1726 PolarHBondContact OD1-NH2 3.14Å; D995-R1726 IonicContact OD2-CZ 2.71Å; D995-R1726 VanDerWaalsContact OD2-CZ 3.24Å; D995-R1726 IonicContact OD2-NE 2.78Å; D995-R1726 PolarHBondContact OD2-NE 2.85Å; D995-R1726 IonicContact OD2-NH2 2.75Å; D995-R1726 PolarHBondContact OD2-NH2 3.33Å; I1722-R1726 HydrophobicContact CG2-CG 4.27Å; I1722-R1726 VanDerWaalsContact CG2-CZ 3.46Å; I1722-R1726 VanDerWaalsContact CG2-NE 3.34Å; I1722-R1726 VanDerWaalsContact CG2-NH2 3.29Å; I1722-R1726 WeakPolarHBondContact O-CG 3.21Å; I1722-R1726 PolarHBondContact O-N 2.76Å; R1726-S1730 VanDerWaalsContact O-CB 3.32Å; R1726-S1730 WeakPolarHBondContact O-CB 3.49Å; R1726-S1730 PolarHBondContact O-N 2.96Å
1727R66Low65Low99 Ų9948.8 Ų48.837%0.37425%0.249SC..Hα-helixtrans-82.4-26.5179.3-75.2178.1-172.7-160.1-1.4114Y1684 S1723 I1724 I1725 L1731Y1684-R1727 HydrophobicContact CE1-CB 4Å; Y1684-R1727 HydrophobicContact CE1-CG 4.46Å; Y1684-R1727 HydrophobicContact CE2-CB 4.08Å; Y1684-R1727 WeakPolarHBondContact OH-CB 3.5Å; S1723-R1727 WeakPolarHBondContact O-CB 3.34Å; S1723-R1727 WeakPolarHBondContact O-CD 3.36Å; S1723-R1727 WeakPolarHBondContact O-CG 3.36Å; S1723-R1727 PolarHBondContact O-N 3.5Å; S1723-R1727 PolarHBondContact OG-NE 2.85Å; I1724-R1727 PolarHBondContact O-N 2.87Å; I1725-R1727 PolarHBondContact O-N 3.34Å; I1725-R1727 VanDerWaalsContact O-N 3.11Å; R1727-L1731 WeakPolarHBondContact O-CB 3.4Å; R1727-L1731 PolarHBondContact O-N 2.92Å
1728L65.1Low64.8Low13 Ų1350.8 Ų50.87%0.06826%0.256CS..Hα-helixtrans-72-48.2169.1-76.3169.6000109.3L1681 Y1684 I1724 I1725 S1730 L1731 C1732 I1746 L1747L1681-L1728 HydrophobicContact CD2-CD2 3.95Å; Y1684-L1728 HydrophobicContact CD2-CD2 4.06Å; Y1684-L1728 HydrophobicContact CD2-CG 4.45Å; I1724-L1728 HydrophobicContact CG2-CD1 3.8Å; I1724-L1728 HydrophobicContact CG2-CG 4.27Å; I1724-L1728 WeakPolarHBondContact O-CB 3.39Å; I1724-L1728 VanDerWaalsContact O-CG 3.32Å; I1724-L1728 WeakPolarHBondContact O-CG 3.5Å; I1724-L1728 PolarHBondContact O-N 3.46Å; I1725-L1728 PolarHBondContact O-N 2.84Å; L1728-S1730 VanDerWaalsContact C-N 3.34Å; L1728-S1730 PolarHBondContact O-N 3.48Å; L1728-L1731 WeakPolarHBondContact O-CA 3.36Å; L1728-L1731 WeakPolarHBondContact O-CB 3.27Å; L1728-L1731 PolarHBondContact O-N 2.82Å; L1728-C1732 PolarHBondContact O-N 2.92Å; L1728-C1732 PolarHBondContact O-SG 3.44Å; L1728-I1746 HydrophobicContact CD1-CG2 4.19Å; L1728-L1747 HydrophobicContact CB-CD2 3.92Å
1729E68.3Low64.4Low8 Ų853.5 Ų53.54%0.03728%0.276CS..Hα-helixtrans-54.3-48.6174.4-69.6162.3169.600111.1A991 I1725 L1731 C1732 N1733 L1747 R1751A991-E1729 VanDerWaalsContact CB-CD 3.43Å; A991-E1729 WeakPolarHBondContact CB-OE1 3.39Å; A991-E1729 VanDerWaalsContact CB-OE2 3.29Å; A991-E1729 WeakPolarHBondContact CB-OE2 3.36Å; I1725-E1729 VanDerWaalsContact CG2-OE1 3.31Å; I1725-E1729 WeakPolarHBondContact CG2-OE1 3.37Å; I1725-E1729 WeakPolarHBondContact O-CG 3.49Å; I1725-E1729 PolarHBondContact O-N 2.84Å; E1729-L1731 PolarHBondContact O-N 2.97Å; E1729-L1731 VanDerWaalsContact O-N 3.15Å; E1729-C1732 PolarHBondContact O-N 2.94Å; E1729-N1733 WeakPolarHBondContact O-CB 3.35Å; E1729-N1733 PolarHBondContact O-N 3.29Å; E1729-N1733 PolarHBondContact O-ND2 3.38Å; E1729-N1733 PolarHBondContact O-OD1 3.24Å; E1729-L1747 HydrophobicContact CG-CD1 3.83Å; E1729-L1747 HydrophobicContact CG-CD2 3.72Å; E1729-L1747 HydrophobicContact CG-CG 4.45Å; E1729-R1751 IonicContact OE1-CZ 3.08Å; E1729-R1751 IonicContact OE1-NE 2.59Å; E1729-R1751 IonicContact OE1-NH2 2.65Å; E1729-R1751 PolarHBondContact OE1-NH2 3.3Å
1730S66.2Low63.7Low45 Ų4554 Ų5432%0.31528%0.278SS..Hα-helixtrans-57.8-26171.5162.60000114.9R1680 R1726 L1728 Q1734R1680-S1730 PolarHBondContact NH2-OG 3.38Å; R1726-S1730 VanDerWaalsContact O-CB 3.32Å; R1726-S1730 WeakPolarHBondContact O-CB 3.49Å; R1726-S1730 PolarHBondContact O-N 2.96Å; L1728-S1730 VanDerWaalsContact C-N 3.34Å; L1728-S1730 PolarHBondContact O-N 3.48Å; S1730-Q1734 VanDerWaalsContact O-CG 3.22Å; S1730-Q1734 WeakPolarHBondContact O-CG 3.5Å; S1730-Q1734 PolarHBondContact O-OE1 2.74Å
1731L59.5Low63.6Low7 Ų757.9 Ų57.94%0.03730%0.295CS..Hα-helixtrans-86.6-34.1-178-148.6148.7000111.2A1677 R1680 Y1684 R1727 L1728 E1729 N1735A1677-L1731 HydrophobicContact CB-CD2 4.12Å; R1680-L1731 HydrophobicContact CB-CD1 4.03Å; R1680-L1731 HydrophobicContact CG-CD1 3.67Å; Y1684-L1731 HydrophobicContact CE2-CD1 3.91Å; R1727-L1731 WeakPolarHBondContact O-CB 3.4Å; R1727-L1731 PolarHBondContact O-N 2.92Å; L1728-L1731 WeakPolarHBondContact O-CA 3.36Å; L1728-L1731 WeakPolarHBondContact O-CB 3.27Å; L1728-L1731 PolarHBondContact O-N 2.82Å; E1729-L1731 PolarHBondContact O-N 2.97Å; E1729-L1731 VanDerWaalsContact O-N 3.15Å; L1731-N1735 PolarHBondContact O-N 2.8Å; L1731-N1735 PolarHBondContact O-ND2 3.45Å
1732C62.3Low63.2Low27 Ų2761 Ų6118%0.18231%0.314CS..Hα-helixtrans-67.6-41.8172.7-550000111.1L1728 E1729 Q1734 N1735 I1743L1728-C1732 PolarHBondContact O-N 2.92Å; L1728-C1732 PolarHBondContact O-SG 3.44Å; E1729-C1732 PolarHBondContact O-N 2.94Å; C1732-Q1734 PolarHBondContact O-N 3.07Å; C1732-N1735 PolarHBondContact O-N 3.48Å; C1732-I1743 HydrophobicContact CB-CD1 3.99Å; C1732-I1743 HydrophobicContact CB-CG2 4.04Å; C1732-I1743 WeakPolarHBondContact SG-CD1 3.25Å; C1732-I1743 WeakPolarHBondContact SG-CG2 3.21Å
1733N62.4Low62.6Low81 Ų8161.1 Ų61.143%0.43332%0.315SS..THydrogen-bonded Turntrans-76.9-3.9-179.1-61.3-8.1000113.7E989 E1729E989-N1733 WeakPolarHBondContact CB-ND2 3.13Å; E989-N1733 VanDerWaalsContact CD-ND2 3.27Å; E989-N1733 PolarHBondContact OE2-ND2 2.86Å; E989-N1733 PolarHBondContact OE2-OD1 2.99Å; E1729-N1733 WeakPolarHBondContact O-CB 3.35Å; E1729-N1733 PolarHBondContact O-N 3.29Å; E1729-N1733 PolarHBondContact O-ND2 3.38Å; E1729-N1733 PolarHBondContact O-OD1 3.24Å
1734Q57.7Low62.4Low122 Ų12264.9 Ų64.957%0.5733%0.329SS*.THydrogen-bonded Turntrans-106.6-10.5176.5-76.3-175.8-2400113.3S1730 C1732S1730-Q1734 VanDerWaalsContact O-CG 3.22Å; S1730-Q1734 WeakPolarHBondContact O-CG 3.5Å; S1730-Q1734 PolarHBondContact O-OE1 2.74Å; C1732-Q1734 PolarHBondContact O-N 3.07Å
1735N54.3Low62.3Low36 Ų3666.2 Ų66.219%0.19334%0.338CS..  trans-152.4115.3-173.5-58.9-85.6000113.1L1731 C1732 L1737L1731-N1735 PolarHBondContact O-N 2.8Å; L1731-N1735 PolarHBondContact O-ND2 3.45Å; C1732-N1735 PolarHBondContact O-N 3.48Å; N1735-L1737 HydrophobicContact CB-CB 4.12Å; N1735-L1737 HydrophobicContact CB-CD1 4.11Å; N1735-L1737 PolarHBondContact O-N 3.31Å
1736D55Low61.9Low170 Ų17067.3 Ų67.391%0.90934%0.343SS*.THydrogen-bonded Turntrans-6717.5170-61.9-55.6000114.3F1738D1736-F1738 VanDerWaalsContact C-N 3.34Å; D1736-F1738 PolarHBondContact O-N 2.73Å
1737L53.2Low61.8Low50 Ų5062.4 Ų62.426%0.26233%0.326SS..THydrogen-bonded Turntrans-78.8-10.6-168.9-97.2159.3000115.1F1670 L1674 N1735F1670-L1737 HydrophobicContact CE2-CD1 4.37Å; F1670-L1737 HydrophobicContact CE2-CD2 3.66Å; F1670-L1737 HydrophobicContact CE2-CG 4.15Å; F1670-L1737 HydrophobicContact CZ-CD2 3.59Å; L1674-L1737 HydrophobicContact CD1-CD1 4.17Å; L1674-L1737 HydrophobicContact CD1-CD2 3.58Å; L1674-L1737 HydrophobicContact CD2-CD2 4.19Å; L1674-L1737 HydrophobicContact CG-CD1 3.9Å; L1674-L1737 HydrophobicContact CG-CD2 3.88Å; N1735-L1737 HydrophobicContact CB-CB 4.12Å; N1735-L1737 HydrophobicContact CB-CD1 4.11Å; N1735-L1737 PolarHBondContact O-N 3.31Å
1738F57.7Low62.1Low53 Ų5363.4 Ų63.423%0.23233%0.33CS..SBendtrans-134.3143-173.6-63-73.4000110L1681 D1736 N1740 I1743 V1815L1681-F1738 HydrophobicContact CD1-CE2 4.26Å; L1681-F1738 HydrophobicContact CD1-CZ 3.9Å; D1736-F1738 VanDerWaalsContact C-N 3.34Å; D1736-F1738 PolarHBondContact O-N 2.73Å; F1738-N1740 PolarHBondContact O-N 2.98Å; F1738-I1743 HydrophobicContact CB-CD1 3.52Å; F1738-I1743 HydrophobicContact CB-CG1 4.23Å; F1738-I1743 HydrophobicContact CG-CD1 4.41Å; F1738-V1815 HydrophobicContact CE1-CG2 4.07Å; F1738-V1815 HydrophobicContact CZ-CG2 4.46Å
1739S58.5Low62.2Low76 Ų7663.5 Ų63.553%0.53133%0.331SS..  trans-67.3126.2178.2600000111.1H1741 V1742 I1743S1739-H1741 PolarHBondContact O-N 2.84Å; S1739-V1742 PolarHBondContact O-N 3.45Å; S1739-V1742 WeakPolarHBondContact OG-CG2 3.24Å; S1739-I1743 PolarHBondContact O-N 3.46Å
1740N58.1Low62Low113 Ų11363.2 Ų63.260%0.60433%0.33SS*.Hα-helixtrans-47.7-37.5-178.8-69.8-6.5000112.5F1738 V1742 I1743 E1744F1738-N1740 PolarHBondContact O-N 2.98Å; N1740-V1742 PolarHBondContact O-N 2.97Å; N1740-I1743 WeakPolarHBondContact O-CB 3.2Å; N1740-I1743 PolarHBondContact O-N 2.87Å; N1740-E1744 WeakPolarHBondContact O-CB 3.3Å; N1740-E1744 VanDerWaalsContact O-CG 3.31Å; N1740-E1744 WeakPolarHBondContact O-CG 3.45Å; N1740-E1744 PolarHBondContact O-N 3.31Å
1741H63.7Low62.4Low131 Ų13165.4 Ų65.461%0.60633%0.331SS*.Hα-helixtrans-61.8-36.5179.3-170.255.9000114.8S1739 S1745S1739-H1741 PolarHBondContact O-N 2.84Å; H1741-S1745 PolarHBondContact O-N 3.44Å; H1741-S1745 VanDerWaalsContact O-N 3.15Å
1742V61.1Low63Low68 Ų6869.7 Ų69.741%0.41235%0.351SS..Hα-helixtrans-71.4-45.7177.6173.10000109.6S1739 N1740 S1745 I1746 L1811S1739-V1742 PolarHBondContact O-N 3.45Å; S1739-V1742 WeakPolarHBondContact OG-CG2 3.24Å; N1740-V1742 PolarHBondContact O-N 2.97Å; V1742-S1745 PolarHBondContact O-N 3.45Å; V1742-I1746 HydrophobicContact CG1-CD1 3.94Å; V1742-I1746 VanDerWaalsContact O-CD1 3.25Å; V1742-I1746 WeakPolarHBondContact O-CD1 3.47Å; V1742-I1746 WeakPolarHBondContact O-CG1 3.34Å; V1742-I1746 PolarHBondContact O-N 2.88Å; V1742-I1746 VanDerWaalsContact O-N 3.14Å; V1742-L1811 HydrophobicContact CG1-CD1 4.02Å
1743I61.5Low63.2Low22 Ų2268.7 Ų68.711%0.11334%0.344CS..Hα-helixtrans-56.7-53.3174.4-80.6162.8000111.7C1732 F1738 S1739 N1740 S1745 I1746 L1747C1732-I1743 HydrophobicContact CB-CD1 3.99Å; C1732-I1743 HydrophobicContact CB-CG2 4.04Å; C1732-I1743 WeakPolarHBondContact SG-CD1 3.25Å; C1732-I1743 WeakPolarHBondContact SG-CG2 3.21Å; F1738-I1743 HydrophobicContact CB-CD1 3.52Å; F1738-I1743 HydrophobicContact CB-CG1 4.23Å; F1738-I1743 HydrophobicContact CG-CD1 4.41Å; S1739-I1743 PolarHBondContact O-N 3.46Å; N1740-I1743 WeakPolarHBondContact O-CB 3.2Å; N1740-I1743 PolarHBondContact O-N 2.87Å; I1743-S1745 PolarHBondContact O-N 2.93Å; I1743-I1746 WeakPolarHBondContact O-CA 3.39Å; I1743-I1746 WeakPolarHBondContact O-CB 3.38Å; I1743-I1746 PolarHBondContact O-N 3.19Å; I1743-L1747 HydrophobicContact CG2-CD1 3.83Å; I1743-L1747 HydrophobicContact CG2-CG 4.34Å; I1743-L1747 WeakPolarHBondContact O-CG 3.32Å; I1743-L1747 PolarHBondContact O-N 3.38Å
1744E66Low63.6Low111 Ų11165 Ų6552%0.51932%0.324SS..Hα-helixtrans-56.5-39.1178.5-80.5-179.4168.600111.2N1740 I1746 L1747 R1748N1740-E1744 WeakPolarHBondContact O-CB 3.3Å; N1740-E1744 VanDerWaalsContact O-CG 3.31Å; N1740-E1744 WeakPolarHBondContact O-CG 3.45Å; N1740-E1744 PolarHBondContact O-N 3.31Å; E1744-I1746 VanDerWaalsContact C-N 3.33Å; E1744-I1746 PolarHBondContact O-N 2.91Å; E1744-L1747 PolarHBondContact O-N 3.38Å; E1744-R1748 WeakPolarHBondContact O-CB 3.47Å; E1744-R1748 PolarHBondContact O-N 3.34Å
1745S65Low64.1Low30 Ų3063.3 Ų63.321%0.2132%0.319CS..Hα-helixtrans-66.8-34.8176.6-1620000112.7H1741 V1742 I1743 R1748 D1749H1741-S1745 PolarHBondContact O-N 3.44Å; H1741-S1745 VanDerWaalsContact O-N 3.15Å; V1742-S1745 PolarHBondContact O-N 3.45Å; I1743-S1745 PolarHBondContact O-N 2.93Å; S1745-R1748 VanDerWaalsContact CB-NH2 3.35Å; S1745-R1748 PolarHBondContact OG-NH2 2.82Å; S1745-D1749 VanDerWaalsContact O-CB 3.29Å; S1745-D1749 WeakPolarHBondContact O-CB 3.25Å; S1745-D1749 PolarHBondContact O-N 2.86Å
1746I65.4Low64.5Low26 Ų2665.6 Ų65.613%0.13333%0.325CS..Hα-helixtrans-72.7-41.9176.7-62.3148.7000110.6L1728 V1742 I1743 E1744 D1749 S1750 Y1808 L1811L1728-I1746 HydrophobicContact CD1-CG2 4.19Å; V1742-I1746 HydrophobicContact CG1-CD1 3.94Å; V1742-I1746 VanDerWaalsContact O-CD1 3.25Å; V1742-I1746 WeakPolarHBondContact O-CD1 3.47Å; V1742-I1746 WeakPolarHBondContact O-CG1 3.34Å; V1742-I1746 PolarHBondContact O-N 2.88Å; V1742-I1746 VanDerWaalsContact O-N 3.14Å; I1743-I1746 WeakPolarHBondContact O-CA 3.39Å; I1743-I1746 WeakPolarHBondContact O-CB 3.38Å; I1743-I1746 PolarHBondContact O-N 3.19Å; E1744-I1746 VanDerWaalsContact C-N 3.33Å; E1744-I1746 PolarHBondContact O-N 2.91Å; I1746-D1749 PolarHBondContact O-N 2.89Å; I1746-S1750 VanDerWaalsContact O-CB 3.28Å; I1746-S1750 WeakPolarHBondContact O-CB 3.39Å; I1746-S1750 PolarHBondContact O-N 3.36Å; I1746-S1750 PolarHBondContact O-OG 3.45Å; I1746-Y1808 HydrophobicContact CG2-CE1 4.17Å; I1746-Y1808 HydrophobicContact CG2-CE2 4.33Å; I1746-L1811 HydrophobicContact CD1-CD1 3.79Å; I1746-L1811 HydrophobicContact CD1-CD2 3.38Å; I1746-L1811 HydrophobicContact CD1-CG 4.11Å; I1746-L1811 HydrophobicContact CG1-CD2 4.2Å
1747L70Confident64.9Low22 Ų2257.5 Ų57.512%0.11528%0.282CS..Hα-helixtrans-63.7-45.2175.7-68176.4000110.9L1728 E1729 I1743 E1744 S1750 R1751L1728-L1747 HydrophobicContact CB-CD2 3.92Å; E1729-L1747 HydrophobicContact CG-CD1 3.83Å; E1729-L1747 HydrophobicContact CG-CD2 3.72Å; E1729-L1747 HydrophobicContact CG-CG 4.45Å; I1743-L1747 HydrophobicContact CG2-CD1 3.83Å; I1743-L1747 HydrophobicContact CG2-CG 4.34Å; I1743-L1747 WeakPolarHBondContact O-CG 3.32Å; I1743-L1747 PolarHBondContact O-N 3.38Å; E1744-L1747 PolarHBondContact O-N 3.38Å; L1747-S1750 PolarHBondContact O-N 2.87Å; L1747-R1751 WeakPolarHBondContact O-CG 3.28Å; L1747-R1751 PolarHBondContact O-N 3.48Å
1748R74.1Confident65.4Low121 Ų12158.5 Ų58.546%0.45729%0.285SS..Hα-helixtrans-58.6-50.3173.4175.2174.757.4-145.4-7.3112.3E1744 S1745 S1750 R1751 Q1752E1744-R1748 WeakPolarHBondContact O-CB 3.47Å; E1744-R1748 PolarHBondContact O-N 3.34Å; S1745-R1748 VanDerWaalsContact CB-NH2 3.35Å; S1745-R1748 PolarHBondContact OG-NH2 2.82Å; R1748-S1750 PolarHBondContact O-N 2.9Å; R1748-R1751 PolarHBondContact O-N 3.43Å; R1748-Q1752 WeakPolarHBondContact O-CG 3.34Å; R1748-Q1752 PolarHBondContact O-N 2.81Å
1749D65.6Low65.5Low15 Ų1559.6 Ų59.68%0.0830%0.299CS..Hα-helixtrans-61.7-33.2177.8-72.6-12.9000111.7S1745 I1746 L1753 Y1804 K1807S1745-D1749 VanDerWaalsContact O-CB 3.29Å; S1745-D1749 WeakPolarHBondContact O-CB 3.25Å; S1745-D1749 PolarHBondContact O-N 2.86Å; I1746-D1749 PolarHBondContact O-N 2.89Å; D1749-L1753 PolarHBondContact O-N 3.44Å; D1749-L1753 VanDerWaalsContact O-N 3.16Å; D1749-Y1804 HydrophobicContact CB-CD1 4.03Å; D1749-Y1804 HydrophobicContact CB-CE1 3.82Å; D1749-K1807 VanDerWaalsContact CG-NZ 3.27Å; D1749-K1807 IonicContact OD1-NZ 2.93Å; D1749-K1807 PolarHBondContact OD1-NZ 3.43Å; D1749-K1807 VanDerWaalsContact OD1-NZ 3.1Å; D1749-K1807 WeakPolarHBondContact OD2-CD 3.29Å; D1749-K1807 WeakPolarHBondContact OD2-CE 3.43Å; D1749-K1807 IonicContact OD2-NZ 2.59Å; D1749-K1807 PolarHBondContact OD2-NZ 3.5Å
1750S65.3Low65.4Low2 Ų258.5 Ų58.51%0.01429%0.287CS..Hα-helixtrans-77.8-36.3178.9-54.10000112.7L1721 I1746 L1747 R1748 L1753 L1754 Y1808L1721-S1750 WeakPolarHBondContact CD2-O 3.38Å; I1746-S1750 VanDerWaalsContact O-CB 3.28Å; I1746-S1750 WeakPolarHBondContact O-CB 3.39Å; I1746-S1750 PolarHBondContact O-N 3.36Å; I1746-S1750 PolarHBondContact O-OG 3.45Å; L1747-S1750 PolarHBondContact O-N 2.87Å; R1748-S1750 PolarHBondContact O-N 2.9Å; S1750-L1753 PolarHBondContact O-N 3.41Å; S1750-L1754 PolarHBondContact O-N 3.5Å; S1750-Y1808 PolarHBondContact OG-OH 3.43Å
1751R74.4Confident65Low90 Ų9053.8 Ų53.834%0.3426%0.264SS..Hα-helixtrans-68.3-40.6171.8-69.9-177.1-166.9178.710.9111.4I1725 E1729 L1747 R1748 L1753 L1754 D1755I1725-R1751 HydrophobicContact CD1-CG 4.33Å; E1729-R1751 IonicContact OE1-CZ 3.08Å; E1729-R1751 IonicContact OE1-NE 2.59Å; E1729-R1751 IonicContact OE1-NH2 2.65Å; E1729-R1751 PolarHBondContact OE1-NH2 3.3Å; L1747-R1751 WeakPolarHBondContact O-CG 3.28Å; L1747-R1751 PolarHBondContact O-N 3.48Å; R1748-R1751 PolarHBondContact O-N 3.43Å; R1751-L1753 VanDerWaalsContact C-N 3.26Å; R1751-L1753 PolarHBondContact O-N 2.84Å; R1751-L1754 WeakPolarHBondContact O-CA 3.33Å; R1751-L1754 VanDerWaalsContact O-CB 3.3Å; R1751-L1754 WeakPolarHBondContact O-CB 3.48Å; R1751-L1754 PolarHBondContact O-N 3.19Å; R1751-D1755 PolarHBondContact O-N 2.92Å
1752Q71Confident64.2Low97 Ų9749.9 Ų49.945%0.45326%0.255SS..Hα-helixtrans-59.1-36.4171.3-75.9-177-7.400112.7R1748 W1756R1748-Q1752 WeakPolarHBondContact O-CG 3.34Å; R1748-Q1752 PolarHBondContact O-N 2.81Å; Q1752-W1756 VanDerWaalsContact O-CB 3.27Å; Q1752-W1756 WeakPolarHBondContact O-CB 3.13Å; Q1752-W1756 PolarHBondContact O-N 2.78Å
1753L67.4Low63.4Low7 Ų753 Ų534%0.03727%0.265CS..Hα-helixtrans-71.3-33.2173-17662.7000112.2M1688 L1721 D1749 S1750 R1751 I1757 Y1804M1688-L1753 HydrophobicContact CE-CD2 3.95Å; L1721-L1753 HydrophobicContact CD1-CD2 3.96Å; L1721-L1753 HydrophobicContact CD2-CB 4.21Å; L1721-L1753 HydrophobicContact CD2-CD2 4.38Å; L1721-L1753 HydrophobicContact CD2-CG 4.12Å; D1749-L1753 PolarHBondContact O-N 3.44Å; D1749-L1753 VanDerWaalsContact O-N 3.16Å; S1750-L1753 PolarHBondContact O-N 3.41Å; R1751-L1753 VanDerWaalsContact C-N 3.26Å; R1751-L1753 PolarHBondContact O-N 2.84Å; L1753-I1757 HydrophobicContact CD1-CD1 4.11Å; L1753-I1757 HydrophobicContact CD1-CG1 4.39Å; L1753-I1757 HydrophobicContact CG-CD1 3.95Å; L1753-I1757 WeakPolarHBondContact O-CB 3.18Å; L1753-I1757 WeakPolarHBondContact O-CD1 3.21Å; L1753-I1757 WeakPolarHBondContact O-CG1 3.43Å; L1753-I1757 PolarHBondContact O-N 3.41Å; L1753-Y1804 HydrophobicContact CD1-CD2 4.38Å; L1753-Y1804 HydrophobicContact CD1-CE2 4.42Å
1754L71.2Confident62.4Low3 Ų353.2 Ų53.22%0.01627%0.268CS..Hα-helixtrans-64.3-55.5174.6-169.570.7000111.3T1718 L1721 I1722 I1725 S1750 R1751 W1756 I1757 Q1758T1718-L1754 HydrophobicContact CG2-CD1 4.17Å; L1721-L1754 HydrophobicContact CB-CD1 4.19Å; L1721-L1754 HydrophobicContact CD2-CB 3.82Å; L1721-L1754 HydrophobicContact CD2-CD1 3.9Å; I1722-L1754 HydrophobicContact CD1-CD1 4.18Å; I1722-L1754 HydrophobicContact CG1-CD1 3.65Å; I1722-L1754 HydrophobicContact CG1-CD2 4.03Å; I1725-L1754 HydrophobicContact CD1-CB 4.38Å; I1725-L1754 HydrophobicContact CD1-CD2 4.31Å; S1750-L1754 PolarHBondContact O-N 3.5Å; R1751-L1754 WeakPolarHBondContact O-CA 3.33Å; R1751-L1754 VanDerWaalsContact O-CB 3.3Å; R1751-L1754 WeakPolarHBondContact O-CB 3.48Å; R1751-L1754 PolarHBondContact O-N 3.19Å; L1754-W1756 PolarHBondContact O-N 3.38Å; L1754-I1757 PolarHBondContact O-N 2.92Å; L1754-I1757 VanDerWaalsContact O-N 3.09Å; L1754-Q1758 WeakPolarHBondContact O-CG 3.22Å; L1754-Q1758 PolarHBondContact O-N 3.42Å
1755D68.1Low61.1Low87 Ų8752 Ų5247%0.46527%0.268SS..Hα-helixtrans-53.5-44.6178.9-63.8-11.5000110.3R1751 Q1758 C1759R1751-D1755 PolarHBondContact O-N 2.92Å; D1755-Q1758 PolarHBondContact O-N 3.36Å; D1755-C1759 PolarHBondContact O-N 2.85Å; D1755-C1759 PolarHBondContact O-SG 2.79Å
1756W63Low59.9Low84 Ų8456.1 Ų56.132%0.31829%0.288SS..Hα-helixtrans-69.4-34.4-178.4-169.480.7000113.2Q1752 L1754 L1760 L1797Q1752-W1756 VanDerWaalsContact O-CB 3.27Å; Q1752-W1756 WeakPolarHBondContact O-CB 3.13Å; Q1752-W1756 PolarHBondContact O-N 2.78Å; L1754-W1756 PolarHBondContact O-N 3.38Å; W1756-L1760 HydrophobicContact CE3-CD1 4.17Å; W1756-L1760 HydrophobicContact CH2-CD1 3.32Å; W1756-L1760 HydrophobicContact CH2-CD2 4.02Å; W1756-L1760 HydrophobicContact CH2-CG 3.77Å; W1756-L1760 HydrophobicContact CZ2-CD1 4.19Å; W1756-L1760 HydrophobicContact CZ2-CD2 4.15Å; W1756-L1760 HydrophobicContact CZ2-CG 4.14Å; W1756-L1760 HydrophobicContact CZ3-CD1 3.34Å; W1756-L1760 HydrophobicContact CZ3-CG 4.01Å; W1756-L1760 PolarHBondContact O-N 3.31Å; W1756-L1797 HydrophobicContact CE3-CD1 4.2Å; W1756-L1797 HydrophobicContact CH2-CD1 3.08Å; W1756-L1797 HydrophobicContact CH2-CD2 3.5Å; W1756-L1797 VanDerWaalsContact CH2-CD2 3.5Å; W1756-L1797 HydrophobicContact CH2-CG 3.82Å; W1756-L1797 HydrophobicContact CZ2-CD1 3.77Å; W1756-L1797 HydrophobicContact CZ2-CD2 4.25Å; W1756-L1797 HydrophobicContact CZ2-CG 4.43Å; W1756-L1797 HydrophobicContact CZ3-CD1 3.31Å; W1756-L1797 HydrophobicContact CZ3-CD2 4.32Å; W1756-L1797 HydrophobicContact CZ3-CG 4.41Å
1757I62.8Low58.5Low0 Ų060.9 Ų60.90%031%0.314CS..Hα-helixtrans-71.1-37.9172-68.6167.5000110.9L1691 L1695 I1714 T1718 L1721 L1753 L1754 L1760 G1761L1691-I1757 HydrophobicContact CD2-CD1 4.27Å; L1695-I1757 HydrophobicContact CD1-CD1 4.02Å; L1695-I1757 HydrophobicContact CD1-CG1 4.45Å; I1714-I1757 HydrophobicContact CG2-CG2 3.85Å; T1718-I1757 HydrophobicContact CG2-CB 4.38Å; T1718-I1757 HydrophobicContact CG2-CG2 3.6Å; L1721-I1757 HydrophobicContact CD2-CD1 4.37Å; L1753-I1757 HydrophobicContact CD1-CD1 4.11Å; L1753-I1757 HydrophobicContact CD1-CG1 4.39Å; L1753-I1757 HydrophobicContact CG-CD1 3.95Å; L1753-I1757 WeakPolarHBondContact O-CB 3.18Å; L1753-I1757 WeakPolarHBondContact O-CD1 3.21Å; L1753-I1757 WeakPolarHBondContact O-CG1 3.43Å; L1753-I1757 PolarHBondContact O-N 3.41Å; L1754-I1757 PolarHBondContact O-N 2.92Å; L1754-I1757 VanDerWaalsContact O-N 3.09Å; I1757-L1760 WeakPolarHBondContact O-CB 3.2Å; I1757-L1760 PolarHBondContact O-N 3.38Å; I1757-G1761 PolarHBondContact O-N 2.78Å
1758Q64.2Low56.6Low70 Ų7063.9 Ų63.933%0.32734%0.342SS..Hα-helixtrans-64.3-39.7174.8-73.3179.2-16.300111.7T1718 L1754 D1755 L1760 G1761 A1762T1718-Q1758 HydrophobicContact CG2-CG 4.11Å; L1754-Q1758 WeakPolarHBondContact O-CG 3.22Å; L1754-Q1758 PolarHBondContact O-N 3.42Å; D1755-Q1758 PolarHBondContact O-N 3.36Å; Q1758-L1760 PolarHBondContact O-N 2.98Å; Q1758-G1761 WeakPolarHBondContact O-CA 3.38Å; Q1758-G1761 PolarHBondContact O-N 2.75Å; Q1758-G1761 VanDerWaalsContact O-N 3.11Å; Q1758-A1762 PolarHBondContact O-N 2.91Å
1759C59.2Low54.4Low77 Ų7763.3 Ų63.352%0.5236%0.355SS..Hα-helixtrans-59-44.8171.7-72.60000112.6D1755 G1761 A1762 E1763D1755-C1759 PolarHBondContact O-N 2.85Å; D1755-C1759 PolarHBondContact O-SG 2.79Å; C1759-G1761 VanDerWaalsContact C-N 3.28Å; C1759-G1761 PolarHBondContact O-N 3.44Å; C1759-A1762 PolarHBondContact O-N 2.81Å; C1759-E1763 PolarHBondContact O-N 2.64Å; C1759-E1763 VanDerWaalsContact O-N 3.16Å
1760L55.3Low52.6Low53 Ų5369.6 Ų69.628%0.27739%0.388SS..Hα-helixtrans-60.9-35.9172.8-75.3-177000112.9I1714 W1756 I1757 Q1758 S1764I1714-L1760 HydrophobicContact CD1-CB 4.42Å; W1756-L1760 HydrophobicContact CE3-CD1 4.17Å; W1756-L1760 HydrophobicContact CH2-CD1 3.32Å; W1756-L1760 HydrophobicContact CH2-CD2 4.02Å; W1756-L1760 HydrophobicContact CH2-CG 3.77Å; W1756-L1760 HydrophobicContact CZ2-CD1 4.19Å; W1756-L1760 HydrophobicContact CZ2-CD2 4.15Å; W1756-L1760 HydrophobicContact CZ2-CG 4.14Å; W1756-L1760 HydrophobicContact CZ3-CD1 3.34Å; W1756-L1760 HydrophobicContact CZ3-CG 4.01Å; W1756-L1760 PolarHBondContact O-N 3.31Å; I1757-L1760 WeakPolarHBondContact O-CB 3.2Å; I1757-L1760 PolarHBondContact O-N 3.38Å; Q1758-L1760 PolarHBondContact O-N 2.98Å; L1760-S1764 PolarHBondContact O-N 3Å
1761G49.8Very low50.9Low13 Ų1377.3 Ų77.313%0.13443%0.429CS..Hα-helixtrans-62-50.8174.500000111.5I1757 Q1758 C1759 E1763 S1764 V1765I1757-G1761 PolarHBondContact O-N 2.78Å; Q1758-G1761 WeakPolarHBondContact O-CA 3.38Å; Q1758-G1761 PolarHBondContact O-N 2.75Å; Q1758-G1761 VanDerWaalsContact O-N 3.11Å; C1759-G1761 VanDerWaalsContact C-N 3.28Å; C1759-G1761 PolarHBondContact O-N 3.44Å; G1761-E1763 PolarHBondContact O-N 2.81Å; G1761-S1764 WeakPolarHBondContact O-CB 3.36Å; G1761-S1764 PolarHBondContact O-N 3.2Å; G1761-S1764 PolarHBondContact O-OG 2.67Å; G1761-V1765 PolarHBondContact O-N 3.42Å
1762A48.7Very low48.7Very low50 Ų5079.5 Ų79.541%0.41345%0.452SS..Hα-helixtrans-60.1-41-178.900000113.4Q1758 C1759 S1764 V1765 N1766Q1758-A1762 PolarHBondContact O-N 2.91Å; C1759-A1762 PolarHBondContact O-N 2.81Å; A1762-S1764 PolarHBondContact O-N 2.83Å; A1762-V1765 PolarHBondContact O-N 3.28Å; A1762-N1766 PolarHBondContact O-N 2.81Å; A1762-N1766 PolarHBondContact O-ND2 3.11Å
1763E44Very low46.9Very low134 Ų13485.8 Ų85.863%0.62647%0.472SS*.Hα-helixtrans-64.1-26.1175.7-71.7-175.6164.600113.4C1759 G1761 N1767C1759-E1763 PolarHBondContact O-N 2.64Å; C1759-E1763 VanDerWaalsContact O-N 3.16Å; G1761-E1763 PolarHBondContact O-N 2.81Å; E1763-N1767 PolarHBondContact O-ND2 3.33Å
1764S40.7Very low45.3Very low26 Ų2695 Ų9518%0.18251%0.511CS..Hα-helixtrans-76.9-32.5177.882.10000113.2L1760 G1761 A1762L1760-S1764 PolarHBondContact O-N 3Å; G1761-S1764 WeakPolarHBondContact O-CB 3.36Å; G1761-S1764 PolarHBondContact O-N 3.2Å; G1761-S1764 PolarHBondContact O-OG 2.67Å; A1762-S1764 PolarHBondContact O-N 2.83Å
1765V38.9Very low43.4Very low84 Ų84103.6 Ų103.651%0.50955%0.551SS.*Hα-helixtrans-82.6-38.3-177.2-179.30000111.6G1761 A1762 N1767 A1768G1761-V1765 PolarHBondContact O-N 3.42Å; A1762-V1765 PolarHBondContact O-N 3.28Å; V1765-N1767 PolarHBondContact O-N 3.45Å; V1765-N1767 VanDerWaalsContact O-N 3.11Å; V1765-A1768 PolarHBondContact O-N 2.72Å; V1765-A1768 VanDerWaalsContact O-N 3.08Å
1766N39.6Very low41.8Very low118 Ų118105.4 Ų105.463%0.63156%0.561SS**THydrogen-bonded Turntrans-66.9-14.2-177-74.1-23000114.7A1762A1762-N1766 PolarHBondContact O-N 2.81Å; A1762-N1766 PolarHBondContact O-ND2 3.11Å
1767N35.1Very low40.4Very low126 Ų126108.4 Ų108.467%0.67458%0.584SS**THydrogen-bonded Turntrans-90-1.2175.1-77.4-68.9000114.4E1763 V1765E1763-N1767 PolarHBondContact O-ND2 3.33Å; V1765-N1767 PolarHBondContact O-N 3.45Å; V1765-N1767 VanDerWaalsContact O-N 3.11Å
1768A30.7Very low39Very low85 Ų85114.8 Ų114.870%0.70262%0.616SS**SBendtrans-101.1-9-174.800000115.4V1765V1765-A1768 PolarHBondContact O-N 2.72Å; V1765-A1768 VanDerWaalsContact O-N 3.08Å
1769C28.4Very low37.3Very low108 Ų108118.4 Ų118.473%0.7364%0.638SS**SBendtrans-101.2-2.5-170.9-74.30000116.5L1771C1769-L1771 PolarHBondContact O-N 3.41Å
1770N27.3Very low35.8Very low147 Ų147121 Ų12179%0.78665%0.652SS**  trans-102.569.3-173.7-78.4-29.3000113.9
1771L28.7Very low34.4Very low165 Ų165124.2 Ų124.286%0.86468%0.677SS**  trans-158.170.4167.7-111.7142.1000113.4C1769C1769-L1771 PolarHBondContact O-N 3.41Å
1772T29.4Very low33.3Very low135 Ų135129.4 Ų129.483%0.82871%0.708SS**  trans-167.7127.1140110000114
1773R32.8Very low32.4Very low229 Ų229134.7 Ų134.786%0.86473%0.729SS**  trans84.6110.2152.2-68.8179.2172.7173.8-0.3121.6
1774K34.4Very low31.6Very low200 Ų200137.3 Ų137.387%0.8774%0.741SS**  trans91.4110.4138.8-69.5-169.7172.3-166.50118.6
1775E31Very low31.1Very low184 Ų184142.7 Ų142.786%0.8677%0.772SS**  trans-66.6139.3158.7-60.8159.3130.700109.9
1776D34.3Very low30.6Very low126 Ų126148.4 Ų148.467%0.67479%0.79SS**  -166.6126120.2-94.1-20.6000110.5Q823Q823-D1776 PolarHBondContact NE2-OD2 3.04Å
1777D33.5Very low30Very low147 Ų147147.5 Ų147.579%0.78679%0.793SS**  trans73.3130.4151.2-94.3-20.8000126.4
1778I32.2Very low29.9Very low133 Ų133146.9 Ų146.968%0.68279%0.79SS**  trans85.291.4148.4-57156.6000120
1779N29Very low30.1Very low146 Ų146149.3 Ų149.378%0.78179%0.79SS**  trans53.4134.1133.2-61.6-33.4000122.8
1780T28.7Very low30.5Very low132 Ų132147.4 Ų147.481%0.8178%0.777SS**  trans97.170.5153.2-28.40000118.6
1781C25.6Very low31.2Very low120 Ų120145.2 Ų145.281%0.81177%0.773SS**  -168.1153.9126.2-102.60000111.8
1782P27.6Very low32Very low122 Ų122138.8 Ų138.879%0.79275%0.747SS**  trans-82.7148.8-166.132-35.5000115E1784P1782-E1784 PolarHBondContact O-N 2.82Å
1783L27.9Very low32.9Very low162 Ų162135.9 Ų135.985%0.84872%0.724SS**  trans-71.7116.9167.4-76.969.9000110.3
1784E27.7Very low33.7Very low189 Ų189128.6 Ų128.688%0.88370%0.696SS**  trans-166.164.9151.5-119.4170.6-142.100114.8P1782P1782-E1784 PolarHBondContact O-N 2.82Å
1785V30.2Very low34.8Very low138 Ų138124.7 Ų124.784%0.83668%0.681SS**  trans-127.468.5166.1-166.70000110.2
1786K27.9Very low36.2Very low204 Ų204117.2 Ų117.289%0.88765%0.646SS**SBendtrans-122.214.4-179-106.6-178.5-178.6174.20114.7
1787S27.7Very low37.2Very low99 Ų99112 Ų11269%0.69262%0.618SS**  trans-169.382.8-179.853.50000114.5
1788L33.3Very low38.5Very low114 Ų114108.2 Ų108.260%0.59759%0.594SS**  trans-14584.9163.5-92.8118.3000111.7
1789L34.9Very low40.1Very low136 Ų136103.9 Ų103.971%0.71258%0.576SS**  trans-140.163.8149.5-116.3170.8000105
1790C36Very low41.8Very low67 Ų67100.4 Ų100.445%0.45356%0.555SS.*  trans-67.6145.7-168.9-800000110G1792 E1793 R1794C1790-G1792 PolarHBondContact O-N 2.87Å; C1790-E1793 PolarHBondContact N-OE2 3.39Å; C1790-E1793 PolarHBondContact O-N 2.79Å; C1790-R1794 PolarHBondContact O-N 3.01Å
1791S42.3Very low43.4Very low102 Ų10294.5 Ų94.571%0.71352%0.518SS*.Hα-helixtrans-54.2-31.8-178.650.90000112.8E1793 R1794 E1795S1791-E1793 PolarHBondContact O-N 2.9Å; S1791-R1794 PolarHBondContact O-N 3.41Å; S1791-E1795 WeakPolarHBondContact O-CB 3.28Å; S1791-E1795 WeakPolarHBondContact O-CG 3.35Å; S1791-E1795 PolarHBondContact O-N 2.88Å
1792G45.4Very low45.4Very low29 Ų2995.2 Ų95.230%0.29951%0.508SS..Hα-helixtrans-66.3-28.617700000115.6C1790 K1796C1790-G1792 PolarHBondContact O-N 2.87Å; G1792-K1796 WeakPolarHBondContact O-CB 3.49Å; G1792-K1796 WeakPolarHBondContact O-CG 3.36Å; G1792-K1796 PolarHBondContact O-N 2.62Å
1793E48.4Very low47.5Very low74 Ų7493.9 Ų93.935%0.34649%0.49SS..Hα-helixtrans-78.8-39.5175.4-68.4166.4146.200110.5C1790 S1791 E1795 K1796 L1797C1790-E1793 PolarHBondContact N-OE2 3.39Å; C1790-E1793 PolarHBondContact O-N 2.79Å; S1791-E1793 PolarHBondContact O-N 2.9Å; E1793-E1795 VanDerWaalsContact C-N 3.28Å; E1793-E1795 PolarHBondContact O-N 2.88Å; E1793-K1796 WeakPolarHBondContact O-CB 3.25Å; E1793-K1796 PolarHBondContact O-N 3.48Å; E1793-L1797 WeakPolarHBondContact O-CB 3.25Å; E1793-L1797 PolarHBondContact O-N 2.89Å
1794R50.5Low49.1Very low77 Ų7787.6 Ų87.629%0.29146%0.456SS..Hα-helixtrans-65.7-30.1172.5-168.5-179.3-82.6-167.9-3.2112.4C1699 C1790 S1791 K1798C1699-R1794 VanDerWaalsContact O-CD 3.31Å; C1699-R1794 WeakPolarHBondContact O-CD 3.17Å; C1699-R1794 PolarHBondContact O-NE 3.39Å; C1699-R1794 PolarHBondContact O-NH1 2.84Å; C1790-R1794 PolarHBondContact O-N 3.01Å; S1791-R1794 PolarHBondContact O-N 3.41Å; R1794-K1798 WeakPolarHBondContact O-CG 3.23Å; R1794-K1798 PolarHBondContact O-N 2.88Å
1795E56.5Low51Low117 Ų11783.2 Ų83.255%0.54743%0.431SS..Hα-helixtrans-71.5-49.6169.3-76.2-81.1113.400111.6S1791 E1793 L1797 K1798 S1799S1791-E1795 WeakPolarHBondContact O-CB 3.28Å; S1791-E1795 WeakPolarHBondContact O-CG 3.35Å; S1791-E1795 PolarHBondContact O-N 2.88Å; E1793-E1795 VanDerWaalsContact C-N 3.28Å; E1793-E1795 PolarHBondContact O-N 2.88Å; E1795-L1797 VanDerWaalsContact C-N 3.26Å; E1795-L1797 PolarHBondContact O-N 3.49Å; E1795-K1798 WeakPolarHBondContact O-CB 3.41Å; E1795-K1798 PolarHBondContact O-N 2.88Å; E1795-S1799 PolarHBondContact O-N 3.35Å
1796K61.1Low53Low28 Ų2883.4 Ų83.412%0.12242%0.417CS..Hα-helixtrans-50.8-46.1173.8-89-176.5162.7-174.50112.1L355 G1792 E1793 S1799 Q1800L355-K1796 HydrophobicContact CD2-CD 4.15Å; L355-K1796 VanDerWaalsContact CD2-CE 3.42Å; G1792-K1796 WeakPolarHBondContact O-CB 3.49Å; G1792-K1796 WeakPolarHBondContact O-CG 3.36Å; G1792-K1796 PolarHBondContact O-N 2.62Å; E1793-K1796 WeakPolarHBondContact O-CB 3.25Å; E1793-K1796 PolarHBondContact O-N 3.48Å; K1796-S1799 CarbonylContact O-C 3.49Å; K1796-S1799 WeakPolarHBondContact O-CA 3.39Å; K1796-S1799 WeakPolarHBondContact O-CB 3.29Å; K1796-S1799 PolarHBondContact O-N 3.44Å; K1796-S1799 VanDerWaalsContact O-N 3.14Å; K1796-Q1800 PolarHBondContact O-N 2.72Å
1797L54.1Low54.7Low16 Ų1677 Ų778%0.08439%0.389CS..Hα-helixtrans-60.2-45.1177175.252.4000112.5C1699 W1756 E1793 E1795 S1799 Q1800 I1801C1699-L1797 HydrophobicContact CB-CD2 4.36Å; C1699-L1797 WeakPolarHBondContact SG-CD2 3.4Å; W1756-L1797 HydrophobicContact CE3-CD1 4.2Å; W1756-L1797 HydrophobicContact CH2-CD1 3.08Å; W1756-L1797 HydrophobicContact CH2-CD2 3.5Å; W1756-L1797 VanDerWaalsContact CH2-CD2 3.5Å; W1756-L1797 HydrophobicContact CH2-CG 3.82Å; W1756-L1797 HydrophobicContact CZ2-CD1 3.77Å; W1756-L1797 HydrophobicContact CZ2-CD2 4.25Å; W1756-L1797 HydrophobicContact CZ2-CG 4.43Å; W1756-L1797 HydrophobicContact CZ3-CD1 3.31Å; W1756-L1797 HydrophobicContact CZ3-CD2 4.32Å; W1756-L1797 HydrophobicContact CZ3-CG 4.41Å; E1793-L1797 WeakPolarHBondContact O-CB 3.25Å; E1793-L1797 PolarHBondContact O-N 2.89Å; E1795-L1797 VanDerWaalsContact C-N 3.26Å; E1795-L1797 PolarHBondContact O-N 3.49Å; L1797-S1799 VanDerWaalsContact C-N 3.3Å; L1797-S1799 PolarHBondContact O-N 3.46Å; L1797-Q1800 PolarHBondContact O-N 3.45Å; L1797-I1801 HydrophobicContact CD1-CD1 3.49Å; L1797-I1801 VanDerWaalsContact CD1-CD1 3.49Å; L1797-I1801 HydrophobicContact CD1-CG1 3.87Å; L1797-I1801 HydrophobicContact CG-CD1 3.92Å; L1797-I1801 WeakPolarHBondContact O-CG1 3.22Å; L1797-I1801 PolarHBondContact O-N 3.37Å
1798K61.4Low56.4Low68 Ų6873.4 Ų73.430%0.29636%0.36SS..Hα-helixtrans-63.2-35.9174-74.3173.9-179.2177.90111.9R1794 E1795 K1802R1794-K1798 WeakPolarHBondContact O-CG 3.23Å; R1794-K1798 PolarHBondContact O-N 2.88Å; E1795-K1798 WeakPolarHBondContact O-CB 3.41Å; E1795-K1798 PolarHBondContact O-N 2.88Å; K1798-K1802 VanDerWaalsContact O-CB 3.29Å; K1798-K1802 WeakPolarHBondContact O-CB 3.32Å; K1798-K1802 WeakPolarHBondContact O-CD 3.48Å; K1798-K1802 WeakPolarHBondContact O-CG 3.47Å; K1798-K1802 PolarHBondContact O-N 2.85Å; K1798-K1802 VanDerWaalsContact O-N 3.1Å
1799S66.8Low58.1Low42 Ų4271.5 Ų71.529%0.29435%0.348SS..Hα-helixtrans-64.9-48.1172.9-70.50000111.7E351 E1795 K1796 L1797 K1802 H1803E351-S1799 PolarHBondContact OE1-OG 2.84Å; E1795-S1799 PolarHBondContact O-N 3.35Å; K1796-S1799 CarbonylContact O-C 3.49Å; K1796-S1799 WeakPolarHBondContact O-CA 3.39Å; K1796-S1799 WeakPolarHBondContact O-CB 3.29Å; K1796-S1799 PolarHBondContact O-N 3.44Å; K1796-S1799 VanDerWaalsContact O-N 3.14Å; L1797-S1799 VanDerWaalsContact C-N 3.3Å; L1797-S1799 PolarHBondContact O-N 3.46Å; S1799-K1802 PolarHBondContact O-N 2.74Å; S1799-H1803 WeakPolarHBondContact O-CB 3.37Å; S1799-H1803 PolarHBondContact O-N 2.72Å
1800Q63.5Low59.7Low73 Ų7371 Ų7134%0.34134%0.342SS..Hα-helixtrans-64.8-46.2179.6-77.2176-29.100112.4K1796 L1797 K1802 H1803 Y1804K1796-Q1800 PolarHBondContact O-N 2.72Å; L1797-Q1800 PolarHBondContact O-N 3.45Å; Q1800-K1802 VanDerWaalsContact C-N 3.31Å; Q1800-K1802 PolarHBondContact O-N 2.85Å; Q1800-H1803 WeakPolarHBondContact O-CA 3.26Å; Q1800-H1803 WeakPolarHBondContact O-CB 3.24Å; Q1800-H1803 PolarHBondContact O-N 3.39Å; Q1800-Y1804 HydrophobicContact CB-CE2 4.28Å; Q1800-Y1804 WeakPolarHBondContact O-CD2 3.41Å; Q1800-Y1804 PolarHBondContact O-N 3.25Å
1801I62.9Low61Low7 Ų769.4 Ų69.44%0.03633%0.329CS..Hα-helixtrans-62.2-39.1175.3-65.7165.8000111C1692 L1695 V1696 L1797 H1803 R1805C1692-I1801 HydrophobicContact CB-CG2 3.68Å; L1695-I1801 HydrophobicContact CB-CD1 3.9Å; L1695-I1801 HydrophobicContact CD1-CD1 4.44Å; V1696-I1801 HydrophobicContact CG2-CB 4.22Å; V1696-I1801 HydrophobicContact CG2-CD1 4.04Å; V1696-I1801 HydrophobicContact CG2-CG2 3.71Å; L1797-I1801 HydrophobicContact CD1-CD1 3.49Å; L1797-I1801 VanDerWaalsContact CD1-CD1 3.49Å; L1797-I1801 HydrophobicContact CD1-CG1 3.87Å; L1797-I1801 HydrophobicContact CG-CD1 3.92Å; L1797-I1801 WeakPolarHBondContact O-CG1 3.22Å; L1797-I1801 PolarHBondContact O-N 3.37Å; I1801-H1803 VanDerWaalsContact C-N 3.33Å; I1801-H1803 PolarHBondContact O-N 3.08Å; I1801-R1805 VanDerWaalsContact O-CB 3.23Å; I1801-R1805 WeakPolarHBondContact O-CB 3.31Å; I1801-R1805 PolarHBondContact O-N 2.82Å
1802K67.6Low62.1Low136 Ų13666 Ų6659%0.59130%0.302SS*.Hα-helixtrans-64.4-35.6172.3-77.7172.8-179176.20112.5K1798 S1799 Q1800 R1806K1798-K1802 VanDerWaalsContact O-CB 3.29Å; K1798-K1802 WeakPolarHBondContact O-CB 3.32Å; K1798-K1802 WeakPolarHBondContact O-CD 3.48Å; K1798-K1802 WeakPolarHBondContact O-CG 3.47Å; K1798-K1802 PolarHBondContact O-N 2.85Å; K1798-K1802 VanDerWaalsContact O-N 3.1Å; S1799-K1802 PolarHBondContact O-N 2.74Å; Q1800-K1802 VanDerWaalsContact C-N 3.31Å; Q1800-K1802 PolarHBondContact O-N 2.85Å; K1802-R1806 WeakPolarHBondContact O-CB 3.23Å; K1802-R1806 VanDerWaalsContact O-CG 3.31Å; K1802-R1806 WeakPolarHBondContact O-CG 3.36Å; K1802-R1806 PolarHBondContact O-N 2.93Å
1803H71.8Confident63.3Low93 Ų9370.4 Ų70.443%0.43132%0.316SS..Hα-helixtrans-66.1-52.2176.8179.992.3000111.3S1799 Q1800 I1801 R1805 R1806 K1807S1799-H1803 WeakPolarHBondContact O-CB 3.37Å; S1799-H1803 PolarHBondContact O-N 2.72Å; Q1800-H1803 WeakPolarHBondContact O-CA 3.26Å; Q1800-H1803 WeakPolarHBondContact O-CB 3.24Å; Q1800-H1803 PolarHBondContact O-N 3.39Å; I1801-H1803 VanDerWaalsContact C-N 3.33Å; I1801-H1803 PolarHBondContact O-N 3.08Å; H1803-R1805 VanDerWaalsContact C-N 3.31Å; H1803-R1805 PolarHBondContact O-N 3.36Å; H1803-R1806 WeakPolarHBondContact O-CB 3.44Å; H1803-R1806 PolarHBondContact O-N 3.26Å; H1803-R1806 VanDerWaalsContact O-N 3.11Å; H1803-K1807 WeakPolarHBondContact NE2-CE 3.49Å; H1803-K1807 PolarHBondContact NE2-NZ 3.21Å; H1803-K1807 PolarHBondContact O-N 3.06Å
1804Y62Low63.9Low30 Ų3069.6 Ų69.612%0.11832%0.318CS..Hα-helixtrans-59.3-42.3176.4-66.5-55.9000111.6D1749 L1753 Q1800 R1806 K1807 Y1808D1749-Y1804 HydrophobicContact CB-CD1 4.03Å; D1749-Y1804 HydrophobicContact CB-CE1 3.82Å; L1753-Y1804 HydrophobicContact CD1-CD2 4.38Å; L1753-Y1804 HydrophobicContact CD1-CE2 4.42Å; Q1800-Y1804 HydrophobicContact CB-CE2 4.28Å; Q1800-Y1804 WeakPolarHBondContact O-CD2 3.41Å; Q1800-Y1804 PolarHBondContact O-N 3.25Å; Y1804-R1806 PolarHBondContact O-N 2.95Å; Y1804-K1807 PolarHBondContact O-N 2.9Å; Y1804-Y1808 PolarHBondContact O-N 2.87Å
1805R66.5Low64.5Low97 Ų9766.3 Ų66.337%0.36631%0.307SS..Hα-helixtrans-60.6-39.8174.2-169.8178.9-172.9-153.8-5.8113.1D1689 I1801 H1803 H1809D1689-R1805 IonicContact OD1-CZ 3.7Å; D1689-R1805 VanDerWaalsContact OD1-CZ 3.27Å; D1689-R1805 IonicContact OD1-NE 3.97Å; D1689-R1805 PolarHBondContact OD1-NE 3.39Å; D1689-R1805 IonicContact OD1-NH2 3.42Å; D1689-R1805 PolarHBondContact OD1-NH2 2.98Å; D1689-R1805 VanDerWaalsContact OD1-NH2 3.09Å; D1689-R1805 IonicContact OD2-NH2 3.65Å; I1801-R1805 VanDerWaalsContact O-CB 3.23Å; I1801-R1805 WeakPolarHBondContact O-CB 3.31Å; I1801-R1805 PolarHBondContact O-N 2.82Å; H1803-R1805 VanDerWaalsContact C-N 3.31Å; H1803-R1805 PolarHBondContact O-N 3.36Å; R1805-H1809 PolarHBondContact O-CD2 3.19Å; R1805-H1809 PolarHBondContact O-N 2.76Å; R1805-H1809 VanDerWaalsContact O-N 3.09Å
1806R71.6Confident65Low142 Ų14264 Ų6454%0.53630%0.298SS..Hα-helixtrans-64.2-47.6174.9-78.8175.6178.3-162.9-0.9111.5E344 K1802 H1803 Y1804 H1809 Q1810E344-R1806 IonicContact OE1-CZ 2.68Å; E344-R1806 IonicContact OE1-NH1 3.1Å; E344-R1806 PolarHBondContact OE1-NH1 3.44Å; K1802-R1806 WeakPolarHBondContact O-CB 3.23Å; K1802-R1806 VanDerWaalsContact O-CG 3.31Å; K1802-R1806 WeakPolarHBondContact O-CG 3.36Å; K1802-R1806 PolarHBondContact O-N 2.93Å; H1803-R1806 WeakPolarHBondContact O-CB 3.44Å; H1803-R1806 PolarHBondContact O-N 3.26Å; H1803-R1806 VanDerWaalsContact O-N 3.11Å; Y1804-R1806 PolarHBondContact O-N 2.95Å; R1806-H1809 PolarHBondContact O-N 3.25Å; R1806-Q1810 WeakPolarHBondContact O-CG 3.32Å; R1806-Q1810 PolarHBondContact O-N 3.4Å
1807K65.3Low65.4Low69 Ų6966.9 Ų66.930%0.331%0.314SS..Hα-helixtrans-59.8-46.7177.3-81.4-175.6167.4173.10112.2D1749 H1803 Y1804 H1809 Q1810 L1811D1749-K1807 VanDerWaalsContact CG-NZ 3.27Å; D1749-K1807 IonicContact OD1-NZ 2.93Å; D1749-K1807 PolarHBondContact OD1-NZ 3.43Å; D1749-K1807 VanDerWaalsContact OD1-NZ 3.1Å; D1749-K1807 WeakPolarHBondContact OD2-CD 3.29Å; D1749-K1807 WeakPolarHBondContact OD2-CE 3.43Å; D1749-K1807 IonicContact OD2-NZ 2.59Å; D1749-K1807 PolarHBondContact OD2-NZ 3.5Å; H1803-K1807 WeakPolarHBondContact NE2-CE 3.49Å; H1803-K1807 PolarHBondContact NE2-NZ 3.21Å; H1803-K1807 PolarHBondContact O-N 3.06Å; Y1804-K1807 PolarHBondContact O-N 2.9Å; K1807-H1809 PolarHBondContact O-N 2.92Å; K1807-Q1810 WeakPolarHBondContact O-CB 3.3Å; K1807-Q1810 PolarHBondContact O-N 2.93Å; K1807-Q1810 VanDerWaalsContact O-N 3.16Å; K1807-L1811 PolarHBondContact O-N 3.43Å
1808Y63.7Low65.7Low24 Ų2469.7 Ų69.79%0.09433%0.331CS..Hα-helixtrans-62-38.4177.4-97.5-86000113M1688 I1746 S1750 Y1804 L1812M1688-Y1808 HydrophobicContact CE-CD2 4.18Å; M1688-Y1808 HydrophobicContact CE-CE2 3.6Å; M1688-Y1808 HydrophobicContact CG-CD1 4.24Å; M1688-Y1808 HydrophobicContact CG-CE1 3.86Å; I1746-Y1808 HydrophobicContact CG2-CE1 4.17Å; I1746-Y1808 HydrophobicContact CG2-CE2 4.33Å; S1750-Y1808 PolarHBondContact OG-OH 3.43Å; Y1804-Y1808 PolarHBondContact O-N 2.87Å; Y1808-L1812 PolarHBondContact O-N 3.41Å; Y1808-L1812 VanDerWaalsContact O-N 3.08Å
1809H67.9Low65.7Low74 Ų7467.9 Ų67.934%0.34333%0.326SS..Hα-helixtrans-71.1-33.1172.6-76.9-45.6000113.5D1689 R1805 R1806 K1807 L1812 Q1813D1689-H1809 IonicContact OD1-CE1 3.69Å; D1689-H1809 IonicContact OD1-NE2 3.6Å; D1689-H1809 IonicContact OD2-CE1 2.71Å; D1689-H1809 PolarHBondContact OD2-CE1 2.7Å; D1689-H1809 IonicContact OD2-NE2 3.74Å; R1805-H1809 PolarHBondContact O-CD2 3.19Å; R1805-H1809 PolarHBondContact O-N 2.76Å; R1805-H1809 VanDerWaalsContact O-N 3.09Å; R1806-H1809 PolarHBondContact O-N 3.25Å; K1807-H1809 PolarHBondContact O-N 2.92Å; H1809-L1812 PolarHBondContact O-N 3.1Å; H1809-Q1813 WeakPolarHBondContact O-CB 3.32Å; H1809-Q1813 PolarHBondContact O-N 3.25Å
1810Q68.8Low66Low126 Ų12672.2 Ų72.259%0.58934%0.339SS*.Hα-helixtrans-64.3-40.7173.6-76.9175.4-35.500111.7R1806 K1807 Q1813 S1814R1806-Q1810 WeakPolarHBondContact O-CG 3.32Å; R1806-Q1810 PolarHBondContact O-N 3.4Å; K1807-Q1810 WeakPolarHBondContact O-CB 3.3Å; K1807-Q1810 PolarHBondContact O-N 2.93Å; K1807-Q1810 VanDerWaalsContact O-N 3.16Å; Q1810-Q1813 PolarHBondContact O-N 2.96Å; Q1810-S1814 PolarHBondContact O-N 3.31Å
1811L62Low66.2Low34 Ų3473 Ų7318%0.17835%0.346CS..Hα-helixtrans-60-52.1171.3-179.869.5000110.9V1742 I1746 K1807 Q1813 S1814 V1815V1742-L1811 HydrophobicContact CG1-CD1 4.02Å; I1746-L1811 HydrophobicContact CD1-CD1 3.79Å; I1746-L1811 HydrophobicContact CD1-CD2 3.38Å; I1746-L1811 HydrophobicContact CD1-CG 4.11Å; I1746-L1811 HydrophobicContact CG1-CD2 4.2Å; K1807-L1811 PolarHBondContact O-N 3.43Å; L1811-Q1813 PolarHBondContact O-N 2.82Å; L1811-S1814 PolarHBondContact O-N 3.49Å; L1811-S1814 PolarHBondContact O-OG 2.82Å; L1811-V1815 HydrophobicContact CD1-CG2 4.34Å; L1811-V1815 HydrophobicContact CG-CG2 4.37Å; L1811-V1815 WeakPolarHBondContact O-CG2 3.32Å; L1811-V1815 PolarHBondContact O-N 3.07Å
1812L65.6Low66.1Low29 Ų2974.7 Ų74.715%0.15236%0.355CS..Hα-helixtrans-54.8-43.6178.9-172.168.8000111.3H1682 A1685 Y1808 H1809 S1814 V1815 D1816H1682-L1812 HydrophobicContact CB-CD1 4.35Å; A1685-L1812 HydrophobicContact CB-CD1 4.12Å; A1685-L1812 HydrophobicContact CB-CD2 4.21Å; Y1808-L1812 PolarHBondContact O-N 3.41Å; Y1808-L1812 VanDerWaalsContact O-N 3.08Å; H1809-L1812 PolarHBondContact O-N 3.1Å; L1812-S1814 PolarHBondContact O-N 3.43Å; L1812-V1815 PolarHBondContact O-N 2.98Å; L1812-D1816 WeakPolarHBondContact O-CB 3.48Å; L1812-D1816 PolarHBondContact O-N 2.9Å
1813Q70.6Confident66Low123 Ų12370.6 Ų70.658%0.57535%0.346SS*.Hα-helixtrans-64.2-37.4176.4-170175.613.200112.7H1809 Q1810 L1811 I1817H1809-Q1813 WeakPolarHBondContact O-CB 3.32Å; H1809-Q1813 PolarHBondContact O-N 3.25Å; Q1810-Q1813 PolarHBondContact O-N 2.96Å; L1811-Q1813 PolarHBondContact O-N 2.82Å; Q1813-I1817 HydrophobicContact CG-CD1 4.21Å; Q1813-I1817 WeakPolarHBondContact O-CD1 3.24Å; Q1813-I1817 WeakPolarHBondContact O-CG1 3.36Å; Q1813-I1817 PolarHBondContact O-N 3.39Å
1814S62.1Low65.9Low57 Ų5769.9 Ų69.940%0.39935%0.346SS..Hα-helixtrans-66.6-40.6175.272.90000112.3Q1810 L1811 L1812 I1817 V1818Q1810-S1814 PolarHBondContact O-N 3.31Å; L1811-S1814 PolarHBondContact O-N 3.49Å; L1811-S1814 PolarHBondContact O-OG 2.82Å; L1812-S1814 PolarHBondContact O-N 3.43Å; S1814-I1817 PolarHBondContact O-N 3.4Å; S1814-V1818 WeakPolarHBondContact O-CG2 3.41Å; S1814-V1818 PolarHBondContact O-N 2.97Å
1815V62.5Low66.2Low8 Ų871.8 Ų71.85%0.04836%0.361CS..Hα-helixtrans-69.2-39.8177.3179.70000110.6L1681 F1738 L1811 L1812 I1817 V1818 T1819L1681-V1815 HydrophobicContact CD1-CG1 4.02Å; L1681-V1815 HydrophobicContact CD1-CG2 4.12Å; F1738-V1815 HydrophobicContact CE1-CG2 4.07Å; F1738-V1815 HydrophobicContact CZ-CG2 4.46Å; L1811-V1815 HydrophobicContact CD1-CG2 4.34Å; L1811-V1815 HydrophobicContact CG-CG2 4.37Å; L1811-V1815 WeakPolarHBondContact O-CG2 3.32Å; L1811-V1815 PolarHBondContact O-N 3.07Å; L1812-V1815 PolarHBondContact O-N 2.98Å; V1815-I1817 VanDerWaalsContact C-N 3.34Å; V1815-I1817 PolarHBondContact O-N 3.39Å; V1815-V1818 PolarHBondContact O-N 2.79Å; V1815-T1819 VanDerWaalsContact O-CB 3.3Å; V1815-T1819 WeakPolarHBondContact O-CB 3.34Å; V1815-T1819 PolarHBondContact O-N 3.14Å; V1815-T1819 PolarHBondContact O-OG1 2.67Å
1816D67Low66.2Low68 Ų6869 Ų6936%0.36436%0.355SS..Hα-helixtrans-61.6-39.2172.1-79.8-21.5000112H1678 L1812 K1820H1678-D1816 IonicContact CD2-OD1 3.99Å; H1678-D1816 IonicContact CE1-OD1 3.65Å; H1678-D1816 IonicContact NE2-OD1 3.87Å; H1678-D1816 PolarHBondContact NE2-OD1 2.95Å; L1812-D1816 WeakPolarHBondContact O-CB 3.48Å; L1812-D1816 PolarHBondContact O-N 2.9Å; D1816-K1820 WeakPolarHBondContact O-CB 3.32Å; D1816-K1820 PolarHBondContact O-N 2.85Å
1817I69.4Low66.1Low89 Ų8967.7 Ų67.746%0.45636%0.358SS..Hα-helixtrans-66.1-46.4175.9-72.1162.7000111Q1813 S1814 V1815 K1820 N1821Q1813-I1817 HydrophobicContact CG-CD1 4.21Å; Q1813-I1817 WeakPolarHBondContact O-CD1 3.24Å; Q1813-I1817 WeakPolarHBondContact O-CG1 3.36Å; Q1813-I1817 PolarHBondContact O-N 3.39Å; S1814-I1817 PolarHBondContact O-N 3.4Å; V1815-I1817 VanDerWaalsContact C-N 3.34Å; V1815-I1817 PolarHBondContact O-N 3.39Å; I1817-K1820 PolarHBondContact O-N 3.22Å; I1817-N1821 WeakPolarHBondContact O-CB 3.43Å; I1817-N1821 PolarHBondContact O-N 3.34Å; I1817-N1821 PolarHBondContact O-ND2 3.02Å
1818V60.7Low66.4Low75 Ų7568.7 Ų68.746%0.45537%0.37SS..Hα-helixtrans-62.7-46.3177.3172.30000110.7L1674 S1814 V1815 K1820 N1821 L1822L1674-V1818 HydrophobicContact CD2-CG1 4.41Å; S1814-V1818 WeakPolarHBondContact O-CG2 3.41Å; S1814-V1818 PolarHBondContact O-N 2.97Å; V1815-V1818 PolarHBondContact O-N 2.79Å; V1818-K1820 VanDerWaalsContact C-N 3.34Å; V1818-K1820 PolarHBondContact O-N 3.09Å; V1818-N1821 PolarHBondContact O-N 2.89Å; V1818-L1822 WeakPolarHBondContact O-CB 3.43Å; V1818-L1822 PolarHBondContact O-N 2.69Å
1819T61.8Low66.4Low30 Ų3071.3 Ų71.318%0.18439%0.385CS..Hα-helixtrans-62.3-41.6178.8-53.20000111.3H1678 V1815 L1822 A1823H1678-T1819 HydrophobicContact CB-CG2 4.49Å; H1678-T1819 PolarHBondContact CD2-OG1 3.26Å; H1678-T1819 VanDerWaalsContact CD2-OG1 3.25Å; V1815-T1819 VanDerWaalsContact O-CB 3.3Å; V1815-T1819 WeakPolarHBondContact O-CB 3.34Å; V1815-T1819 PolarHBondContact O-N 3.14Å; V1815-T1819 PolarHBondContact O-OG1 2.67Å; T1819-L1822 PolarHBondContact O-N 3.02Å; T1819-A1823 WeakPolarHBondContact O-CB 3.47Å; T1819-A1823 PolarHBondContact O-N 3.15Å
1820K72.1Confident66.4Low132 Ų13270.5 Ų70.557%0.57439%0.388SS*.Hα-helixtrans-65.2-46.7174.9-175.6-178.1175-172.20112D1816 I1817 V1818 L1822 A1823 D1824D1816-K1820 WeakPolarHBondContact O-CB 3.32Å; D1816-K1820 PolarHBondContact O-N 2.85Å; I1817-K1820 PolarHBondContact O-N 3.22Å; V1818-K1820 VanDerWaalsContact C-N 3.34Å; V1818-K1820 PolarHBondContact O-N 3.09Å; K1820-L1822 PolarHBondContact O-N 3.08Å; K1820-A1823 PolarHBondContact O-N 3.38Å; K1820-D1824 WeakPolarHBondContact O-CB 3.39Å; K1820-D1824 VanDerWaalsContact O-CG 3.32Å; K1820-D1824 PolarHBondContact O-N 2.91Å
1821N67.3Low66.4Low90 Ų9067.5 Ų67.548%0.48138%0.38SS..Hα-helixtrans-60.6-36.9177.8-71.1-16.2000111.4I1817 V1818 T1825I1817-N1821 WeakPolarHBondContact O-CB 3.43Å; I1817-N1821 PolarHBondContact O-N 3.34Å; I1817-N1821 PolarHBondContact O-ND2 3.02Å; V1818-N1821 PolarHBondContact O-N 2.89Å; N1821-T1825 VanDerWaalsContact O-CB 3.27Å; N1821-T1825 WeakPolarHBondContact O-CB 3.49Å; N1821-T1825 PolarHBondContact O-N 3.39Å; N1821-T1825 PolarHBondContact O-OG1 3.05Å
1822L62.7Low66.7Low42 Ų4268.7 Ų68.722%0.2239%0.389CS..Hα-helixtrans-71.1-40.2176.2-167.175.8000112.2I1671 L1674 V1818 T1819 K1820 T1825 T1826I1671-L1822 HydrophobicContact CG1-CD2 4.04Å; I1671-L1822 HydrophobicContact CG1-CG 4.43Å; L1674-L1822 HydrophobicContact CB-CD2 4.2Å; L1674-L1822 HydrophobicContact CD1-CD2 3.76Å; L1674-L1822 HydrophobicContact CG-CD2 4.38Å; V1818-L1822 WeakPolarHBondContact O-CB 3.43Å; V1818-L1822 PolarHBondContact O-N 2.69Å; T1819-L1822 PolarHBondContact O-N 3.02Å; K1820-L1822 PolarHBondContact O-N 3.08Å; L1822-T1825 PolarHBondContact O-N 2.9Å; L1822-T1826 WeakPolarHBondContact O-CB 3.5Å; L1822-T1826 PolarHBondContact O-N 3.39Å; L1822-T1826 PolarHBondContact O-OG1 3.45Å
1823A65Low66.5Low50 Ų5073 Ų7341%0.41340%0.404SS..Hα-helixtrans-62.9-48.817300000111.3T1819 K1820 T1825 T1826 D1827T1819-A1823 WeakPolarHBondContact O-CB 3.47Å; T1819-A1823 PolarHBondContact O-N 3.15Å; K1820-A1823 PolarHBondContact O-N 3.38Å; A1823-T1825 VanDerWaalsContact C-N 3.26Å; A1823-T1825 PolarHBondContact O-N 3.24Å; A1823-T1826 PolarHBondContact O-N 2.85Å; A1823-T1826 VanDerWaalsContact O-N 3.09Å; A1823-D1827 PolarHBondContact O-N 2.86Å
1824D69.8Low66.4Low79 Ų7970.6 Ų70.642%0.42240%0.397SS..Hα-helixtrans-58.3-38.5174.4-71.1-19.9000110.8K1820 V1828K1820-D1824 WeakPolarHBondContact O-CB 3.39Å; K1820-D1824 VanDerWaalsContact O-CG 3.32Å; K1820-D1824 PolarHBondContact O-N 2.91Å; D1824-V1828 WeakPolarHBondContact O-CB 3.05Å; D1824-V1828 VanDerWaalsContact O-CG2 3.23Å; D1824-V1828 WeakPolarHBondContact O-CG2 3.42Å; D1824-V1828 PolarHBondContact O-N 3.47Å
1825T68.3Low66.6Low70 Ų7075.9 Ų75.943%0.42941%0.408SS..Hα-helixtrans-69.7-37.9175.3-57.80000112.1N1821 L1822 A1823 V1828 I1829N1821-T1825 VanDerWaalsContact O-CB 3.27Å; N1821-T1825 WeakPolarHBondContact O-CB 3.49Å; N1821-T1825 PolarHBondContact O-N 3.39Å; N1821-T1825 PolarHBondContact O-OG1 3.05Å; L1822-T1825 PolarHBondContact O-N 2.9Å; A1823-T1825 VanDerWaalsContact C-N 3.26Å; A1823-T1825 PolarHBondContact O-N 3.24Å; T1825-V1828 PolarHBondContact O-N 3.25Å; T1825-I1829 HydrophobicContact CG2-CD1 3.99Å; T1825-I1829 HydrophobicContact CG2-CG1 4.46Å; T1825-I1829 WeakPolarHBondContact O-CB 3.48Å; T1825-I1829 VanDerWaalsContact O-CG1 3.31Å; T1825-I1829 WeakPolarHBondContact O-CG1 3.36Å; T1825-I1829 PolarHBondContact O-N 3.49Å
1826T66.9Low66.6Low39 Ų3980.7 Ų80.724%0.23943%0.433CS..Hα-helixtrans-69.2-39.7177.7-56.50000111.1I1671 L1822 A1823 I1829 S1830I1671-T1826 HydrophobicContact CD1-CG2 3.99Å; I1671-T1826 WeakPolarHBondContact CD1-OG1 3.48Å; L1822-T1826 WeakPolarHBondContact O-CB 3.5Å; L1822-T1826 PolarHBondContact O-N 3.39Å; L1822-T1826 PolarHBondContact O-OG1 3.45Å; A1823-T1826 PolarHBondContact O-N 2.85Å; A1823-T1826 VanDerWaalsContact O-N 3.09Å; T1826-I1829 PolarHBondContact O-N 2.88Å; T1826-S1830 VanDerWaalsContact O-CB 3.24Å; T1826-S1830 WeakPolarHBondContact O-CB 3.18Å; T1826-S1830 PolarHBondContact O-N 2.96Å; T1826-S1830 PolarHBondContact O-OG 3.34Å
1827D68.8Low66.6Low113 Ų11381.2 Ų81.260%0.60443%0.434SS*.Hα-helixtrans-64.4-39.7170.9-87.8-4.9000111.3A1823 S1831A1823-D1827 PolarHBondContact O-N 2.86Å; D1827-S1831 WeakPolarHBondContact O-CB 3.31Å; D1827-S1831 PolarHBondContact O-N 2.84Å
1828V70.8Confident66.5Low91 Ų9183.1 Ų83.155%0.55245%0.445SS*.Hα-helixtrans-65.2-44.6173.5166.50000111.5D1824 T1825 S1831 T1832D1824-V1828 WeakPolarHBondContact O-CB 3.05Å; D1824-V1828 VanDerWaalsContact O-CG2 3.23Å; D1824-V1828 WeakPolarHBondContact O-CG2 3.42Å; D1824-V1828 PolarHBondContact O-N 3.47Å; T1825-V1828 PolarHBondContact O-N 3.25Å; V1828-S1831 PolarHBondContact O-N 3.4Å; V1828-T1832 WeakPolarHBondContact O-CB 3.39Å; V1828-T1832 PolarHBondContact O-N 2.93Å; V1828-T1832 PolarHBondContact O-OG1 3.47Å
1829I64.8Low66.9Low79 Ų7985.4 Ų85.441%0.40546%0.459SS..Hα-helixtrans-64.6-45.3177.1-71.2169.4000110.2M1667 T1825 T1826 T1832 R1833M1667-I1829 HydrophobicContact CE-CD1 3.85Å; T1825-I1829 HydrophobicContact CG2-CD1 3.99Å; T1825-I1829 HydrophobicContact CG2-CG1 4.46Å; T1825-I1829 WeakPolarHBondContact O-CB 3.48Å; T1825-I1829 VanDerWaalsContact O-CG1 3.31Å; T1825-I1829 WeakPolarHBondContact O-CG1 3.36Å; T1825-I1829 PolarHBondContact O-N 3.49Å; T1826-I1829 PolarHBondContact O-N 2.88Å; I1829-T1832 CarbonylContact O-C 3.58Å; I1829-T1832 PolarHBondContact O-N 3.44Å; I1829-R1833 VanDerWaalsContact O-CB 3.32Å; I1829-R1833 WeakPolarHBondContact O-CB 3.47Å; I1829-R1833 PolarHBondContact O-N 2.97Å
1830S67.3Low66.6Low57 Ų5787.2 Ų87.240%0.39948%0.477SS..Hα-helixtrans-63.3-43.5177.7-59.10000111.9T1826 R1833 T1834T1826-S1830 VanDerWaalsContact O-CB 3.24Å; T1826-S1830 WeakPolarHBondContact O-CB 3.18Å; T1826-S1830 PolarHBondContact O-N 2.96Å; T1826-S1830 PolarHBondContact O-OG 3.34Å; S1830-R1833 PolarHBondContact O-N 2.97Å; S1830-T1834 WeakPolarHBondContact O-CB 3.49Å; S1830-T1834 PolarHBondContact O-N 3.23Å; S1830-T1834 PolarHBondContact O-OG1 3.43Å
1831S69.2Low65.1Low62 Ų6284 Ų8443%0.43448%0.481SS..Hα-helixtrans-65-38.4173.8-177.60000111.9D1827 V1828 R1835D1827-S1831 WeakPolarHBondContact O-CB 3.31Å; D1827-S1831 PolarHBondContact O-N 2.84Å; V1828-S1831 PolarHBondContact O-N 3.4Å; S1831-R1835 VanDerWaalsContact O-CB 3.29Å; S1831-R1835 WeakPolarHBondContact O-CB 3.3Å; S1831-R1835 WeakPolarHBondContact O-CG 3.38Å; S1831-R1835 PolarHBondContact O-N 2.9Å
1832T67.4Low64Low60 Ų6083.9 Ų83.937%0.36848%0.483SS..Hα-helixtrans-71.1-40.4177.7-55.80000111.2V1828 I1829 R1835 L1836V1828-T1832 WeakPolarHBondContact O-CB 3.39Å; V1828-T1832 PolarHBondContact O-N 2.93Å; V1828-T1832 PolarHBondContact O-OG1 3.47Å; I1829-T1832 CarbonylContact O-C 3.58Å; I1829-T1832 PolarHBondContact O-N 3.44Å; T1832-R1835 CarbonylContact O-C 3.6Å; T1832-R1835 PolarHBondContact O-N 3.2Å; T1832-L1836 HydrophobicContact CG2-CD1 4.07Å; T1832-L1836 HydrophobicContact CG2-CG 4.44Å; T1832-L1836 WeakPolarHBondContact O-CB 3.48Å; T1832-L1836 VanDerWaalsContact O-CG 3.28Å; T1832-L1836 WeakPolarHBondContact O-CG 3.47Å; T1832-L1836 PolarHBondContact O-N 3.37Å
1833R61.3Low63Low120 Ų12086.4 Ų86.445%0.45350%0.504SS..Hα-helixtrans-59.2-54170.4177.4-177.5176.4154.412.4110.8M1664 I1829 S1830 R1835 L1836 E1837M1664-R1833 PolarHBondContact SD-NH1 3.31Å; I1829-R1833 VanDerWaalsContact O-CB 3.32Å; I1829-R1833 WeakPolarHBondContact O-CB 3.47Å; I1829-R1833 PolarHBondContact O-N 2.97Å; S1830-R1833 PolarHBondContact O-N 2.97Å; R1833-R1835 PolarHBondContact O-N 2.95Å; R1833-L1836 CarbonylContact O-C 3.57Å; R1833-L1836 WeakPolarHBondContact O-CA 3.37Å; R1833-L1836 PolarHBondContact O-N 3.31Å; R1833-E1837 HydrophobicContact CG-CG 4.32Å; R1833-E1837 IonicContact CZ-OE1 2.79Å; R1833-E1837 IonicContact NE-OE1 2.64Å; R1833-E1837 PolarHBondContact NE-OE1 3.26Å; R1833-E1837 IonicContact NE-OE2 3.33Å; R1833-E1837 IonicContact NH2-OE1 3.09Å; R1833-E1837 PolarHBondContact NH2-OE1 3.09Å; R1833-E1837 VanDerWaalsContact NH2-OE1 3.1Å; R1833-E1837 WeakPolarHBondContact O-CG 3.35Å; R1833-E1837 PolarHBondContact O-N 2.99Å
1834T68.6Low61.6Low72 Ų7289.5 Ų89.544%0.44252%0.52SS..Hα-helixtrans-57.4-37.5177.9-49.30000110.7S1830 N1838S1830-T1834 WeakPolarHBondContact O-CB 3.49Å; S1830-T1834 PolarHBondContact O-N 3.23Å; S1830-T1834 PolarHBondContact O-OG1 3.43Å; T1834-N1838 VanDerWaalsContact O-CB 3.27Å; T1834-N1838 WeakPolarHBondContact O-CB 3.29Å; T1834-N1838 VanDerWaalsContact O-CG 3.29Å; T1834-N1838 PolarHBondContact O-N 3.07Å; T1834-N1838 VanDerWaalsContact O-N 3.09Å; T1834-N1838 PolarHBondContact O-ND2 3.12Å
1835R67.9Low60.2Low167 Ų16791.5 Ų91.563%0.6353%0.53SS*.Hα-helixtrans-70.7-38173.7-76173.866.3-164.1-1.6113S1831 T1832 R1833 V1839S1831-R1835 VanDerWaalsContact O-CB 3.29Å; S1831-R1835 WeakPolarHBondContact O-CB 3.3Å; S1831-R1835 WeakPolarHBondContact O-CG 3.38Å; S1831-R1835 PolarHBondContact O-N 2.9Å; T1832-R1835 CarbonylContact O-C 3.6Å; T1832-R1835 PolarHBondContact O-N 3.2Å; R1833-R1835 PolarHBondContact O-N 2.95Å; R1835-V1839 WeakPolarHBondContact O-CB 3.31Å; R1835-V1839 WeakPolarHBondContact O-CG2 3.28Å; R1835-V1839 PolarHBondContact O-N 2.96Å
1836L62.4Low58.7Low109 Ų10993.9 Ų93.957%0.57154%0.544SS*.Hα-helixtrans-69.5-43.1177.4-77.2168.5000111.5T1832 R1833 N1838 V1839 A1840T1832-L1836 HydrophobicContact CG2-CD1 4.07Å; T1832-L1836 HydrophobicContact CG2-CG 4.44Å; T1832-L1836 WeakPolarHBondContact O-CB 3.48Å; T1832-L1836 VanDerWaalsContact O-CG 3.28Å; T1832-L1836 WeakPolarHBondContact O-CG 3.47Å; T1832-L1836 PolarHBondContact O-N 3.37Å; R1833-L1836 CarbonylContact O-C 3.57Å; R1833-L1836 WeakPolarHBondContact O-CA 3.37Å; R1833-L1836 PolarHBondContact O-N 3.31Å; L1836-N1838 PolarHBondContact O-N 3.42Å; L1836-V1839 PolarHBondContact O-N 3.06Å; L1836-A1840 WeakPolarHBondContact O-CB 3.37Å; L1836-A1840 PolarHBondContact O-N 2.96Å
1837E65.5Low57.2Low80 Ų8097.5 Ų97.537%0.37456%0.562SS.*Hα-helixtrans-59.5-46.4173.1-70.2168.8161.400110.5R1833 V1839 G1841R1833-E1837 HydrophobicContact CG-CG 4.32Å; R1833-E1837 IonicContact CZ-OE1 2.79Å; R1833-E1837 IonicContact NE-OE1 2.64Å; R1833-E1837 PolarHBondContact NE-OE1 3.26Å; R1833-E1837 IonicContact NE-OE2 3.33Å; R1833-E1837 IonicContact NH2-OE1 3.09Å; R1833-E1837 PolarHBondContact NH2-OE1 3.09Å; R1833-E1837 VanDerWaalsContact NH2-OE1 3.1Å; R1833-E1837 WeakPolarHBondContact O-CG 3.35Å; R1833-E1837 PolarHBondContact O-N 2.99Å; E1837-V1839 PolarHBondContact O-N 2.94Å; E1837-G1841 PolarHBondContact O-N 2.95Å; E1837-G1841 VanDerWaalsContact O-N 3.16Å
1838N67.8Low55.6Low129 Ų129100.3 Ų100.369%0.6957%0.571SS**Hα-helixtrans-67.4-27.6175.2-78.8-54.8000114.6T1834 L1836T1834-N1838 VanDerWaalsContact O-CB 3.27Å; T1834-N1838 WeakPolarHBondContact O-CB 3.29Å; T1834-N1838 VanDerWaalsContact O-CG 3.29Å; T1834-N1838 PolarHBondContact O-N 3.07Å; T1834-N1838 VanDerWaalsContact O-N 3.09Å; T1834-N1838 PolarHBondContact O-ND2 3.12Å; L1836-N1838 PolarHBondContact O-N 3.42Å
1839V70.2Confident54Low123 Ų123101.7 Ų101.775%0.74559%0.585SS**Hα-helixtrans-90.2-33.7-179166.40000112.2R1835 L1836 E1837R1835-V1839 WeakPolarHBondContact O-CB 3.31Å; R1835-V1839 WeakPolarHBondContact O-CG2 3.28Å; R1835-V1839 PolarHBondContact O-N 2.96Å; L1836-V1839 PolarHBondContact O-N 3.06Å; E1837-V1839 PolarHBondContact O-N 2.94Å
1840A53.9Low52.6Low68 Ų68102.5 Ų102.556%0.56260%0.603SS**Hα-helixtrans-80.3-17.4177.700000112.7L1836 V1842L1836-A1840 WeakPolarHBondContact O-CB 3.37Å; L1836-A1840 PolarHBondContact O-N 2.96Å; A1840-V1842 HydrophobicContact CB-CG2 3.98Å; A1840-V1842 PolarHBondContact O-N 2.95Å
1841G40.9Very low51.1Low65 Ų65105.1 Ų105.167%0.6762%0.621SS**THydrogen-bonded Turntrans69.414.2179.400000113.9E1837 S1843E1837-G1841 PolarHBondContact O-N 2.95Å; E1837-G1841 VanDerWaalsContact O-N 3.16Å; G1841-S1843 PolarHBondContact O-N 3.29Å
1842V44.8Very low49.4Very low87 Ų87111.2 Ų111.253%0.52765%0.646SS.*  trans-82.6102.8179.3-175.30000107.9A1840A1840-V1842 HydrophobicContact CB-CG2 3.98Å; A1840-V1842 PolarHBondContact O-N 2.95Å
1843S40.9Very low47.5Very low95 Ų95121.3 Ų121.366%0.66468%0.684SS**  trans-62.4144166-62.60000109.1G1841 I1845G1841-S1843 PolarHBondContact O-N 3.29Å; S1843-I1845 PolarHBondContact O-N 3.31Å
1844P37.2Very low46.9Very low114 Ų114121.4 Ų121.474%0.7470%0.696SS**  trans-58.7117.8179.623.9-33.2000109.7T1846P1844-T1846 PolarHBondContact O-N 3.06Å; P1844-T1846 PolarHBondContact O-OG1 3.07Å
1845I38.5Very low45.7Very low122 Ų122124 Ų12463%0.62671%0.709SS**  trans-64.5108.8-179.9-63.7174.4000107.5S1843 D1847S1843-I1845 PolarHBondContact O-N 3.31Å; I1845-D1847 HydrophobicContact CG2-CB 4.28Å; I1845-D1847 VanDerWaalsContact CG2-CG 3.48Å; I1845-D1847 WeakPolarHBondContact CG2-OD2 3.43Å; I1845-D1847 PolarHBondContact O-N 2.89Å
1846T36.9Very low44.5Very low120 Ų120121.6 Ų121.674%0.73671%0.714SS**  trans-9578177.4190000107.8P1844 H1848P1844-T1846 PolarHBondContact O-N 3.06Å; P1844-T1846 PolarHBondContact O-OG1 3.07Å; T1846-H1848 PolarHBondContact O-N 2.67Å
1847D36.1Very low43.4Very low115 Ų115122.4 Ų122.462%0.61572%0.722SS**  trans-71.887.6-172.9-96.7-28.5000113.3I1845 S1849I1845-D1847 HydrophobicContact CG2-CB 4.28Å; I1845-D1847 VanDerWaalsContact CG2-CG 3.48Å; I1845-D1847 WeakPolarHBondContact CG2-OD2 3.43Å; I1845-D1847 PolarHBondContact O-N 2.89Å; D1847-S1849 PolarHBondContact O-N 2.93Å
1848H35.2Very low42Very low172 Ų172125 Ų12580%0.79674%0.744SS**  26.271.8119-62.8-60.8000118T1846T1846-H1848 PolarHBondContact O-N 2.67Å
1849S37Very low40.3Very low120 Ų120124.7 Ų124.784%0.83975%0.748SS**  trans-122.39.2163.848.60000114.4D1847D1847-S1849 PolarHBondContact O-N 2.93Å
1850A35.7Very low38.2Very low95 Ų95124.9 Ų124.979%0.78575%0.748SS**  trans-99.632.3173.100000113.4
1851S35.1Very low37Very low112 Ų112129.2 Ų129.278%0.78376%0.762SS**  trans-105.928.1179.7-171.70000113.4
1852M33.6Very low36.7Very low191 Ų191134.6 Ų134.694%0.94177%0.77SS**  trans-132.932.3170.6-103.5-164.2166.900113.7
1853K28.9Very low35.9Very low272 Ų272138.9 Ų138.9100%1.18379%0.792SS**  trans-165.50147.5-113.3169.5-174.9176.80111.9

Retrieved 1,853 of 1,853 residues in 441.5 ms (Link to these results)