A0A077Z9P6_TRITR Loading...

DUF3414 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9P6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,549 aa.

>A0A077Z9P6_TRITR|A0A077Z9P6
MSGTLTNLADCVFYYCCQSLGLYGTKVQLFDCLRQCRFEDDADNPRNKALLPLVLAGLELMDVSSLEDAGPETDFNLLAFSMNTPESARELKDWICEKNWSDQNIRSVFLIVAPSTFSLLRQVPWLTKTLEDSSYDEDVFFDEALSLKPFHFMRSKMLPAGLLRDEFFVRRFHSIIVEMITLFPLKIKELRMQFDESVSNSDYNGILSSADTDTQCHFRELLRTIRDFYSANPMNLDLAKTFFCVGEQNVFVAKTDALKTNIGLFKFIRASAENMTPVLFCDYMAMLTSLACSSQASQRCFDALVAFSSYVECRRSMRWLYSFINESAAFETGRFASSALYGMVILHCDDDGIRLVPKGSQLQNCTLRHLFHALDKYAVHIRRVEQNQGASEHGVKMEMSTMETAAIVSFLKLIRAMCDHNGVVREIIFSRTEWHCTDVLLQILSCSVPSGLAVAILDVFAAFAKTSSYAVSMCKLFSTNTKILSILGAYGNVLPAMESQLERKVDPLTFGILNVINEAVRHEEAIYFLMEKMPSVFLFVFQTNLRRIRLENFECLEDMVTCGSLVMEILYTTLRKVHSDAPAARNQEALAMFVRSTISETELFSIIFYLLKSFAAGLENGIEFSADKATLKMVTVILKLVAYVMQNQIPGVKTSSSFLTEQDVSPSSVLPYLAAKLCHQDFLLCLVTLISYAEEQPLPSVLAMTILRQLQHTEENRWITFLCLSAKENVQDSLFTFANGLTADQAEIPTNFSNDIEIVSTKSVVELRGLLCWNILQFLNESLASVRMTGLLGQSYPTLSGHSNVALFLAGYDCRNPQNTALEAVATPMAPKTVVHSVLDLLQASFEHSFDQLKFVGLIEPAYRFCEQLTALYATAVPILRRLRALDNFILAHMKAIGLKIIQGDPSNHEVIYLMECMAHVMNMAAAETLHLFYEDRFGETSEYFKFLFDARIMTFDEGSNGTLISALMAPALRMKFDTDFNIPHLVKEACTVMVPKGFLQCDCDRLLSLLQGEKAFALQVLGGSKVELFEKAAWRGLVEATTCMLVATPVHDVKRIHCLLAVAETLLNHNLDVCMSESAAALVSVAGLFPAYYKVLHHNGDITLDDSINQTDSQRVVLVELHKSLRKIHSLLLEKIGSLEARASIKSRVYFYTSLLLVMNALRQGCVISSIGRNVDFHSLNGQSYSEPLCADIPPITLTDTCDGLCINKVMSILYVINVFELTDSTKPKLLSQLFSEGYLYHHVNMLPADDNLLLDVFSEKMFDVRPFYVHIARLALFLNIAKSPDGGIAFVRLDLLSRLISMKSYKYLYRFYDRIDKTKVISMAHLCRSVTFAVLLLCNHMLDVLDWQGKDSMDKLNLFLAINHSLLAHILQKAWHPIDLDQDLEIVQITLSVISRSYTKGALSIEPERFHSDLSAHVTYDLLFEIIPSYLTFPANVADQDVQFRLLTILQETLAFCIEYILDLMAPGEQTLLVNRTHLQVLRSELEVLQTKAFASSLSRVSAICEVGDRQELDKATLSRFAIDSGSPSLNLQRIERILRYSTCQPV
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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
1M39Very low72.1Confident199 Ų19974.9 Ų74.998%0.9844%0.435SS*.  0-49.30-79.5-90.6-100.200111.5T4 L5M1-T4 PolarHBondContact O-OG1 3.47Å; M1-L5 PolarHBondContact O-N 2.74Å
2S52.5Low73.2Confident62 Ų6272.5 Ų72.543%0.43442%0.422SS..Hα-helixtrans-59.5-46.9174.848.60000113.2T4 L5 T6S2-T4 VanDerWaalsContact C-N 3.34Å; S2-T4 PolarHBondContact O-N 3.17Å; S2-L5 PolarHBondContact O-N 3.41Å; S2-T6 PolarHBondContact O-N 3.22Å; S2-T6 VanDerWaalsContact O-N 3.13Å; S2-T6 PolarHBondContact O-OG1 3.17Å
3G63.1Low74.1Confident35 Ų3566.9 Ų66.936%0.36139%0.39SS..Hα-helixtrans-63.5-32.3-17900000114.9T6 N7G3-T6 WeakPolarHBondContact CA-OG1 3.42Å; G3-T6 PolarHBondContact O-OG1 3.22Å; G3-N7 WeakPolarHBondContact O-CB 3.43Å; G3-N7 PolarHBondContact O-N 2.94Å; G3-N7 VanDerWaalsContact O-N 3.1Å; G3-N7 PolarHBondContact O-ND2 3.28Å; G3-N7 PolarHBondContact O-OD1 2.89Å
4T73Confident74.8Confident97 Ų9768.1 Ų68.160%0.59539%0.385SS*.Hα-helixtrans-70.2-35.817611.30000112.2M1 S2 L8M1-T4 PolarHBondContact O-OG1 3.47Å; S2-T4 VanDerWaalsContact C-N 3.34Å; S2-T4 PolarHBondContact O-N 3.17Å; T4-L8 WeakPolarHBondContact O-CB 3.26Å; T4-L8 PolarHBondContact O-N 3.03Å; T4-L8 VanDerWaalsContact O-N 3.09Å
5L75.6Confident75.3Confident114 Ų11470.8 Ų70.860%0.59739%0.388SS*.Hα-helixtrans-69.5-42.6175.9-78.1165.5000112M1 S2 L8 A9 A49M1-L5 PolarHBondContact O-N 2.74Å; S2-L5 PolarHBondContact O-N 3.41Å; L5-L8 PolarHBondContact O-N 3.09Å; L5-A9 WeakPolarHBondContact O-CB 3.42Å; L5-A9 PolarHBondContact O-N 3.31Å; L5-A49 HydrophobicContact CB-CB 4.28Å
6T75.4Confident75.5Confident16 Ų1667.1 Ų67.110%0.09837%0.368CS..Hα-helixtrans-62.1-45.617652.10000111.1S2 G3 L8 A9 D10 K48 A49S2-T6 PolarHBondContact O-N 3.22Å; S2-T6 VanDerWaalsContact O-N 3.13Å; S2-T6 PolarHBondContact O-OG1 3.17Å; G3-T6 WeakPolarHBondContact CA-OG1 3.42Å; G3-T6 PolarHBondContact O-OG1 3.22Å; T6-L8 VanDerWaalsContact C-N 3.32Å; T6-L8 PolarHBondContact O-N 3.35Å; T6-A9 PolarHBondContact O-N 3.14Å; T6-D10 PolarHBondContact O-N 3.47Å; T6-K48 HydrophobicContact CG2-CB 4.04Å; T6-A49 HydrophobicContact CG2-CB 3.96Å
7N79.2Confident75.5Confident91 Ų9166.3 Ų66.349%0.48737%0.368SS..Hα-helixtrans-64-37178.6-68.8-6.6000112.3G3 D10 C11G3-N7 WeakPolarHBondContact O-CB 3.43Å; G3-N7 PolarHBondContact O-N 2.94Å; G3-N7 VanDerWaalsContact O-N 3.1Å; G3-N7 PolarHBondContact O-ND2 3.28Å; G3-N7 PolarHBondContact O-OD1 2.89Å; N7-D10 PolarHBondContact O-N 3.38Å; N7-C11 PolarHBondContact O-N 2.8Å; N7-C11 PolarHBondContact O-SG 3.23Å
8L84.4Confident75.5Confident114 Ų11472.1 Ų72.160%0.59739%0.392SS*.Hα-helixtrans-68.8-39.2176-171136.6000111.7T4 L5 T6 C11 V12T4-L8 WeakPolarHBondContact O-CB 3.26Å; T4-L8 PolarHBondContact O-N 3.03Å; T4-L8 VanDerWaalsContact O-N 3.09Å; L5-L8 PolarHBondContact O-N 3.09Å; T6-L8 VanDerWaalsContact C-N 3.32Å; T6-L8 PolarHBondContact O-N 3.35Å; L8-C11 WeakPolarHBondContact O-CB 3.48Å; L8-C11 PolarHBondContact O-N 3.49Å; L8-V12 HydrophobicContact CD2-CG2 4.5Å; L8-V12 WeakPolarHBondContact O-CG2 3.37Å; L8-V12 PolarHBondContact O-N 2.97Å
9A83Confident74.8Confident4 Ų469.8 Ų69.83%0.03338%0.382CS..Hα-helixtrans-64.5-40.4173.600000112L5 T6 C11 V12 F13 A49 P52 L53L5-A9 WeakPolarHBondContact O-CB 3.42Å; L5-A9 PolarHBondContact O-N 3.31Å; T6-A9 PolarHBondContact O-N 3.14Å; A9-C11 VanDerWaalsContact C-N 3.35Å; A9-V12 PolarHBondContact O-N 3.07Å; A9-F13 PolarHBondContact O-N 2.93Å; A9-A49 WeakPolarHBondContact CB-O 3.46Å; A9-P52 HydrophobicContact CB-CB 3.93Å; A9-P52 HydrophobicContact CB-CG 4.08Å; A9-L53 HydrophobicContact CB-CD2 4.34Å; A9-L53 HydrophobicContact CB-CG 4.11Å
10D83.3Confident73.8Confident10 Ų1071.1 Ų71.15%0.05339%0.388CS..Hα-helixtrans-60-44.3172.6-61.7-28000110.5T6 N7 V12 F13 Y14 P52 R164T6-D10 PolarHBondContact O-N 3.47Å; N7-D10 PolarHBondContact O-N 3.38Å; D10-V12 VanDerWaalsContact C-N 3.34Å; D10-V12 PolarHBondContact O-N 3.1Å; D10-F13 WeakPolarHBondContact O-CB 3.42Å; D10-F13 PolarHBondContact O-N 3.13Å; D10-Y14 HydrophobicContact CB-CE2 4.09Å; D10-Y14 WeakPolarHBondContact O-CD2 3.32Å; D10-Y14 PolarHBondContact O-N 3.31Å; D10-P52 WeakPolarHBondContact OD1-CG 3.42Å; D10-R164 IonicContact OD1-NH1 3.51Å; D10-R164 PolarHBondContact OD1-NH1 3.24Å; D10-R164 IonicContact OD2-CZ 3.24Å; D10-R164 IonicContact OD2-NH1 3.8Å; D10-R164 PolarHBondContact OD2-NH1 2.88Å; D10-R164 IonicContact OD2-NH2 2.78Å; D10-R164 PolarHBondContact OD2-NH2 3.25Å
11C85.2Confident73Confident82 Ų8267.7 Ų67.755%0.55437%0.37SS*.Hα-helixtrans-59.6-40.8174.2-72.70000113N7 L8 A9 Y14 Y15N7-C11 PolarHBondContact O-N 2.8Å; N7-C11 PolarHBondContact O-SG 3.23Å; L8-C11 WeakPolarHBondContact O-CB 3.48Å; L8-C11 PolarHBondContact O-N 3.49Å; A9-C11 VanDerWaalsContact C-N 3.35Å; C11-Y14 PolarHBondContact O-N 3.22Å; C11-Y15 VanDerWaalsContact O-CB 3.28Å; C11-Y15 WeakPolarHBondContact O-CB 3.29Å; C11-Y15 PolarHBondContact O-N 3.46Å
12V84.4Confident74Confident46 Ų4662.3 Ų62.328%0.27935%0.345SS..Hα-helixtrans-63.2-43.5175.8171.40000110.4L8 A9 D10 Y15 C16 L29 L53 A56L8-V12 HydrophobicContact CD2-CG2 4.5Å; L8-V12 WeakPolarHBondContact O-CG2 3.37Å; L8-V12 PolarHBondContact O-N 2.97Å; A9-V12 PolarHBondContact O-N 3.07Å; D10-V12 VanDerWaalsContact C-N 3.34Å; D10-V12 PolarHBondContact O-N 3.1Å; V12-Y15 WeakPolarHBondContact O-CB 3.28Å; V12-Y15 PolarHBondContact O-N 3.14Å; V12-C16 PolarHBondContact O-N 3.13Å; V12-C16 PolarHBondContact O-SG 3.44Å; V12-C16 VanDerWaalsContact O-SG 3.37Å; V12-L29 HydrophobicContact CG1-CD1 4.24Å; V12-L53 HydrophobicContact CB-CD2 4.11Å; V12-L53 HydrophobicContact CG1-CD2 3.86Å; V12-L53 HydrophobicContact CG2-CD2 4.5Å; V12-A56 HydrophobicContact CG1-CB 4.46Å
13F85.3Confident74.5Confident0 Ų064 Ų640%034%0.342CS..Hα-helixtrans-60.2-50174.7170.9-94.8000112.5A9 D10 Y15 C16 C17 P52 L55 A56 E59 F167 F168A9-F13 PolarHBondContact O-N 2.93Å; D10-F13 WeakPolarHBondContact O-CB 3.42Å; D10-F13 PolarHBondContact O-N 3.13Å; F13-Y15 VanDerWaalsContact C-N 3.26Å; F13-Y15 PolarHBondContact O-N 3.05Å; F13-C16 WeakPolarHBondContact O-CB 3.32Å; F13-C16 PolarHBondContact O-N 3.29Å; F13-C16 VanDerWaalsContact O-N 3.1Å; F13-C17 VanDerWaalsContact CE1-SG 3.5Å; F13-C17 WeakPolarHBondContact CZ-SG 3.13Å; F13-C17 PolarHBondContact O-N 2.82Å; F13-C17 PolarHBondContact O-SG 3.39Å; F13-P52 HydrophobicContact CB-CB 4.24Å; F13-L55 HydrophobicContact CD2-CB 3.82Å; F13-L55 HydrophobicContact CE2-CB 3.79Å; F13-A56 HydrophobicContact CB-CB 4.27Å; F13-A56 HydrophobicContact CD2-CB 4.31Å; F13-E59 HydrophobicContact CD2-CG 4.24Å; F13-E59 HydrophobicContact CE2-CG 3.56Å; F13-E59 HydrophobicContact CZ-CG 4.27Å; F13-F167 HydrophobicContact CE1-CB 3.56Å; F13-F167 HydrophobicContact CE1-CG 4.38Å; F13-F167 HydrophobicContact CZ-CB 3.82Å; F13-F168 HydrophobicContact CB-CE1 4.28Å; F13-F168 HydrophobicContact CD1-CD1 4.04Å; F13-F168 AromaticContact CD1-CE1 3.4Å; F13-F168 HydrophobicContact CD1-CE1 3.4Å; F13-F168 VanDerWaalsContact CD1-CE1 3.4Å; F13-F168 HydrophobicContact CD1-CZ 4.39Å; F13-F168 HydrophobicContact CD2-CD1 4.26Å; F13-F168 AromaticContact CD2-CE1 3.89Å; F13-F168 HydrophobicContact CD2-CE1 3.89Å; F13-F168 AromaticContact CE1-CD1 3.69Å; F13-F168 HydrophobicContact CE1-CD1 3.69Å; F13-F168 AromaticContact CE1-CE1 3.55Å; F13-F168 HydrophobicContact CE1-CE1 3.55Å; F13-F168 AromaticContact CE2-CD1 3.94Å; F13-F168 HydrophobicContact CE2-CD1 3.94Å; F13-F168 HydrophobicContact CE2-CE1 4.04Å; F13-F168 HydrophobicContact CG-CD1 4.3Å; F13-F168 AromaticContact CG-CE1 3.57Å; F13-F168 HydrophobicContact CG-CE1 3.57Å; F13-F168 AromaticContact CZ-CD1 3.65Å; F13-F168 HydrophobicContact CZ-CD1 3.65Å; F13-F168 AromaticContact CZ-CE1 3.88Å; F13-F168 HydrophobicContact CZ-CE1 3.88Å
14Y84.3Confident74.7Confident83 Ų8364.3 Ų64.333%0.32535%0.345SS..Hα-helixtrans-62.6-35.6178-63.2-48.6000112.2D10 C11 C17 Q18 D165 F167D10-Y14 HydrophobicContact CB-CE2 4.09Å; D10-Y14 WeakPolarHBondContact O-CD2 3.32Å; D10-Y14 PolarHBondContact O-N 3.31Å; C11-Y14 PolarHBondContact O-N 3.22Å; Y14-C17 PolarHBondContact O-N 3.19Å; Y14-Q18 WeakPolarHBondContact O-CG 3.45Å; Y14-Q18 PolarHBondContact O-N 3.49Å; Y14-D165 VanDerWaalsContact CE1-OD2 3.32Å; Y14-D165 WeakPolarHBondContact CE1-OD2 3.48Å; Y14-D165 VanDerWaalsContact CZ-OD2 3.23Å; Y14-D165 PolarHBondContact OH-OD2 2.92Å; Y14-F167 AromaticContact CE1-CD2 3.97Å; Y14-F167 HydrophobicContact CE1-CD2 3.97Å; Y14-F167 HydrophobicContact CE1-CE2 4.45Å
15Y82.3Confident74.4Confident109 Ų10961.8 Ų61.843%0.42733%0.329SS..Hα-helixtrans-62.7-42.8173.5-178.6-98.6000111.8C11 V12 F13 C17 Q18 S19 T25C11-Y15 VanDerWaalsContact O-CB 3.28Å; C11-Y15 WeakPolarHBondContact O-CB 3.29Å; C11-Y15 PolarHBondContact O-N 3.46Å; V12-Y15 WeakPolarHBondContact O-CB 3.28Å; V12-Y15 PolarHBondContact O-N 3.14Å; F13-Y15 VanDerWaalsContact C-N 3.26Å; F13-Y15 PolarHBondContact O-N 3.05Å; Y15-C17 VanDerWaalsContact C-N 3.31Å; Y15-C17 PolarHBondContact O-N 3.18Å; Y15-Q18 PolarHBondContact O-N 3.11Å; Y15-S19 WeakPolarHBondContact CE1-OG 3.46Å; Y15-S19 WeakPolarHBondContact O-CB 3.45Å; Y15-S19 PolarHBondContact O-N 2.71Å; Y15-S19 PolarHBondContact O-OG 3.42Å; Y15-T25 HydrophobicContact CE1-CG2 4.33Å
16C78.4Confident74.1Confident11 Ų1157 Ų577%0.07430%0.303CS..Hα-helixtrans-65.7-30.3173.7-70.60000113.1V12 F13 A56 L60V12-C16 PolarHBondContact O-N 3.13Å; V12-C16 PolarHBondContact O-SG 3.44Å; V12-C16 VanDerWaalsContact O-SG 3.37Å; F13-C16 WeakPolarHBondContact O-CB 3.32Å; F13-C16 PolarHBondContact O-N 3.29Å; F13-C16 VanDerWaalsContact O-N 3.1Å; C16-A56 HydrophobicContact CB-CB 4.2Å; C16-L60 HydrophobicContact CB-CD2 4.34Å
17C75.5Confident74.1Confident54 Ų5457.9 Ų57.937%0.36531%0.309SS..Hα-helixtrans-72.9-36.2174.2-63.90000112.6F13 Y14 Y15F13-C17 VanDerWaalsContact CE1-SG 3.5Å; F13-C17 WeakPolarHBondContact CZ-SG 3.13Å; F13-C17 PolarHBondContact O-N 2.82Å; F13-C17 PolarHBondContact O-SG 3.39Å; Y14-C17 PolarHBondContact O-N 3.19Å; Y15-C17 VanDerWaalsContact C-N 3.31Å; Y15-C17 PolarHBondContact O-N 3.18Å
18Q74.6Confident74.1Confident170 Ų17060.1 Ų60.179%0.79432%0.316SS*.Hα-helixtrans-83.4-29.1-177.7-70.6176.416.700113.3Y14 Y15Y14-Q18 WeakPolarHBondContact O-CG 3.45Å; Y14-Q18 PolarHBondContact O-N 3.49Å; Y15-Q18 PolarHBondContact O-N 3.11Å
19S61.9Low74Confident30 Ų3055.4 Ų55.421%0.2129%0.292CS..SBendtrans-115.8131.6-178.367.70000110.4Y15 G21Y15-S19 WeakPolarHBondContact CE1-OG 3.46Å; Y15-S19 WeakPolarHBondContact O-CB 3.45Å; Y15-S19 PolarHBondContact O-N 2.71Å; Y15-S19 PolarHBondContact O-OG 3.42Å; S19-G21 PolarHBondContact O-N 3.37Å
20L56.6Low73.9Confident94 Ų9455.4 Ų55.449%0.49229%0.291SS..  trans-65.281.1158-77.3135.3000106.4L22 S81L20-L22 PolarHBondContact O-N 3.34Å; L20-S81 WeakPolarHBondContact CD2-OG 3.31Å
21G55.4Low73.8Confident1 Ų158 Ų581%0.0131%0.305CS..  trans-45.3137.3-15900000113.7S19 Y23 K26 F80S19-G21 PolarHBondContact O-N 3.37Å; G21-Y23 PolarHBondContact O-N 3.3Å; G21-K26 WeakPolarHBondContact O-CE 3.41Å; G21-K26 PolarHBondContact O-NZ 3Å; G21-F80 VanDerWaalsContact O-O 3.11Å
22L60.8Low73.8Confident86 Ų8656.8 Ų56.845%0.4530%0.297SS..  trans-48.4135.9174.7-66.5168.9000109.2L20 G24 T25 K26 F80L20-L22 PolarHBondContact O-N 3.34Å; L22-G24 PolarHBondContact O-N 3Å; L22-T25 WeakPolarHBondContact O-CA 3.24Å; L22-T25 WeakPolarHBondContact O-CB 3.32Å; L22-T25 PolarHBondContact O-N 3.02Å; L22-K26 PolarHBondContact O-N 3.47Å; L22-F80 HydrophobicContact CD2-CD1 3.39Å; L22-F80 HydrophobicContact CD2-CE1 3.46Å; L22-F80 VanDerWaalsContact CD2-CE1 3.46Å; L22-F80 HydrophobicContact CD2-CG 4.24Å; L22-F80 HydrophobicContact CD2-CZ 4.37Å
23Y63.5Low73.8Confident98 Ų9854.6 Ų54.638%0.38428%0.283SS..Hα-helixtrans-47.8-39.8-178.1176.2-89.3000112.8G21 T25 K26 V27 E90 W94G21-Y23 PolarHBondContact O-N 3.3Å; Y23-T25 PolarHBondContact O-N 2.63Å; Y23-K26 WeakPolarHBondContact O-CB 3.42Å; Y23-K26 PolarHBondContact O-N 3.37Å; Y23-V27 HydrophobicContact CD1-CG2 4.34Å; Y23-V27 HydrophobicContact CE1-CG2 3.93Å; Y23-V27 WeakPolarHBondContact O-CG2 3.25Å; Y23-V27 PolarHBondContact O-N 3.26Å; Y23-E90 VanDerWaalsContact CE2-OE2 3.31Å; Y23-E90 WeakPolarHBondContact CE2-OE2 3.33Å; Y23-E90 VanDerWaalsContact CZ-OE2 3.27Å; Y23-E90 PolarHBondContact OH-OE2 3.28Å; Y23-W94 HydrophobicContact CE2-CH2 4.1Å
24G66.2Low73.8Confident40 Ų4056 Ų5641%0.41229%0.289SS..Hα-helixtrans-64-35.6175.700000115L22 K26 Q28L22-G24 PolarHBondContact O-N 3Å; G24-K26 VanDerWaalsContact C-N 3.35Å; G24-Q28 VanDerWaalsContact O-CG 3.31Å; G24-Q28 WeakPolarHBondContact O-CG 3.3Å; G24-Q28 PolarHBondContact O-N 3.13Å
25T67.6Low73.8Confident44 Ų4459.5 Ų59.527%0.2731%0.308SS..Hα-helixtrans-70.1-33.9176.7-50.40000111.3Y15 L22 Y23 L29Y15-T25 HydrophobicContact CE1-CG2 4.33Å; L22-T25 WeakPolarHBondContact O-CA 3.24Å; L22-T25 WeakPolarHBondContact O-CB 3.32Å; L22-T25 PolarHBondContact O-N 3.02Å; Y23-T25 PolarHBondContact O-N 2.63Å; T25-L29 PolarHBondContact O-N 3.04Å
26K69.8Low73.8Confident13 Ų1355.1 Ų55.16%0.05729%0.293CS..Hα-helixtrans-63.5-49.4175.1-61.6179.5167.2153.60111.3G21 L22 Y23 G24 Q28 L29 F30 L60 F80G21-K26 WeakPolarHBondContact O-CE 3.41Å; G21-K26 PolarHBondContact O-NZ 3Å; L22-K26 PolarHBondContact O-N 3.47Å; Y23-K26 WeakPolarHBondContact O-CB 3.42Å; Y23-K26 PolarHBondContact O-N 3.37Å; G24-K26 VanDerWaalsContact C-N 3.35Å; K26-Q28 VanDerWaalsContact C-N 3.34Å; K26-Q28 PolarHBondContact O-N 3.24Å; K26-L29 PolarHBondContact O-N 3.44Å; K26-F30 WeakPolarHBondContact O-CD2 3.01Å; K26-F30 PolarHBondContact O-N 3.18Å; K26-L60 HydrophobicContact CB-CD1 4.37Å; K26-L60 HydrophobicContact CD-CD2 4.44Å; K26-L60 HydrophobicContact CG-CD1 3.99Å; K26-L60 HydrophobicContact CG-CD2 3.99Å; K26-L60 HydrophobicContact CG-CG 4.45Å; K26-F80 PolarHBondContact NZ-O 3.3Å
27V74.2Confident74Confident35 Ų3561.6 Ų61.621%0.21232%0.316CS..Hα-helixtrans-56-49.9177.3176.90000110.5Y23 L29 F30 D31 W94Y23-V27 HydrophobicContact CD1-CG2 4.34Å; Y23-V27 HydrophobicContact CE1-CG2 3.93Å; Y23-V27 WeakPolarHBondContact O-CG2 3.25Å; Y23-V27 PolarHBondContact O-N 3.26Å; V27-L29 VanDerWaalsContact C-N 3.31Å; V27-L29 PolarHBondContact O-N 3.02Å; V27-F30 PolarHBondContact O-N 2.96Å; V27-D31 WeakPolarHBondContact O-CB 3.4Å; V27-D31 PolarHBondContact O-N 3.47Å; V27-W94 HydrophobicContact CG2-CH2 3.44Å; V27-W94 VanDerWaalsContact CG2-CH2 3.44Å; V27-W94 HydrophobicContact CG2-CZ2 3.69Å; V27-W94 HydrophobicContact CG2-CZ3 4.33Å
28Q79.1Confident74.2Confident138 Ų13859 Ų5965%0.64530%0.299SS*.Hα-helixtrans-61-38.5-179.7-72.6175.5-6.200112.9G24 K26 C32G24-Q28 VanDerWaalsContact O-CG 3.31Å; G24-Q28 WeakPolarHBondContact O-CG 3.3Å; G24-Q28 PolarHBondContact O-N 3.13Å; K26-Q28 VanDerWaalsContact C-N 3.34Å; K26-Q28 PolarHBondContact O-N 3.24Å; Q28-C32 WeakPolarHBondContact O-CB 3.41Å; Q28-C32 PolarHBondContact O-N 3.12Å
29L82.5Confident74.4Confident16 Ų1654 Ų548%0.08428%0.275CS..Hα-helixtrans-68.9-46.1177.7-173.369.9000111.7V12 T25 K26 V27 C32 L33 L53 A56 L60V12-L29 HydrophobicContact CG1-CD1 4.24Å; T25-L29 PolarHBondContact O-N 3.04Å; K26-L29 PolarHBondContact O-N 3.44Å; V27-L29 VanDerWaalsContact C-N 3.31Å; V27-L29 PolarHBondContact O-N 3.02Å; L29-C32 WeakPolarHBondContact O-CB 3.1Å; L29-C32 PolarHBondContact O-N 3.32Å; L29-L33 HydrophobicContact CG-CD1 4.21Å; L29-L33 WeakPolarHBondContact O-CG 3.46Å; L29-L33 PolarHBondContact O-N 3.15Å; L29-L53 HydrophobicContact CD1-CD2 3.95Å; L29-A56 HydrophobicContact CD2-CB 3.93Å; L29-L60 HydrophobicContact CD2-CD1 3.59Å
30F80.7Confident74.8Confident3 Ų358.4 Ų58.41%0.01330%0.296CS..Hα-helixtrans-64.9-38.6177.5-84.7-76.1000112.1K26 V27 C32 L33 R34 M61 L91 W94 W100 F109K26-F30 WeakPolarHBondContact O-CD2 3.01Å; K26-F30 PolarHBondContact O-N 3.18Å; V27-F30 PolarHBondContact O-N 2.96Å; F30-C32 VanDerWaalsContact C-N 3.3Å; F30-C32 PolarHBondContact O-N 2.95Å; F30-L33 PolarHBondContact O-N 2.71Å; F30-R34 WeakPolarHBondContact O-CD 3.34Å; F30-R34 VanDerWaalsContact O-CG 3.27Å; F30-R34 WeakPolarHBondContact O-CG 3.28Å; F30-R34 PolarHBondContact O-N 3.37Å; F30-M61 HydrophobicContact CZ-CG 4.43Å; F30-M61 HydrophobicContact CZ-SD 4.49Å; F30-L91 HydrophobicContact CE2-CD1 4.35Å; F30-L91 HydrophobicContact CZ-CD1 4.32Å; F30-W94 HydrophobicContact CD2-CE3 4.46Å; F30-W100 HydrophobicContact CD1-CH2 4.27Å; F30-W100 HydrophobicContact CD1-CZ2 4.49Å; F30-F109 AromaticContact CE1-CD1 3.98Å; F30-F109 HydrophobicContact CE1-CD1 3.98Å; F30-F109 AromaticContact CE1-CE1 3.88Å; F30-F109 HydrophobicContact CE1-CE1 3.88Å; F30-F109 HydrophobicContact CE1-CZ 4.39Å; F30-F109 HydrophobicContact CZ-CD1 4.45Å; F30-F109 HydrophobicContact CZ-CE1 4.24Å
31D82.6Confident75.3Confident66 Ų6659.7 Ų59.735%0.35330%0.304SS..Hα-helixtrans-62.1-38.7172.5-77.8-23.8000111.9V27 R34 Q35V27-D31 WeakPolarHBondContact O-CB 3.4Å; V27-D31 PolarHBondContact O-N 3.47Å; D31-R34 IonicContact OD1-NH1 3.02Å; D31-Q35 WeakPolarHBondContact O-CG 3.4Å
32C83.8Confident75.6Confident55 Ų5560.8 Ų60.837%0.37231%0.313SS..Hα-helixtrans-65.3-48.3173.9-175.50000111.5Q28 L29 F30 R34 Q35 C36Q28-C32 WeakPolarHBondContact O-CB 3.41Å; Q28-C32 PolarHBondContact O-N 3.12Å; L29-C32 WeakPolarHBondContact O-CB 3.1Å; L29-C32 PolarHBondContact O-N 3.32Å; F30-C32 VanDerWaalsContact C-N 3.3Å; F30-C32 PolarHBondContact O-N 2.95Å; C32-R34 VanDerWaalsContact C-N 3.31Å; C32-R34 PolarHBondContact O-N 2.97Å; C32-Q35 PolarHBondContact O-N 3.22Å; C32-Q35 VanDerWaalsContact O-N 3.07Å; C32-C36 PolarHBondContact O-N 3.04Å; C32-C36 PolarHBondContact O-SG 2.92Å
33L84.6Confident75.7Confident0 Ų062.2 Ų62.20%032%0.321CS..Hα-helixtrans-61.3-36.5-179.9-73.8171.6000112.5L29 F30 Q35 C36 L53 V54 W100 F109L29-L33 HydrophobicContact CG-CD1 4.21Å; L29-L33 WeakPolarHBondContact O-CG 3.46Å; L29-L33 PolarHBondContact O-N 3.15Å; F30-L33 PolarHBondContact O-N 2.71Å; L33-Q35 PolarHBondContact O-N 2.68Å; L33-C36 PolarHBondContact O-N 2.72Å; L33-C36 VanDerWaalsContact O-N 3.17Å; L33-L53 HydrophobicContact CD2-CB 4.07Å; L33-V54 HydrophobicContact CD2-CG2 3.97Å; L33-W100 HydrophobicContact CB-CH2 4.43Å; L33-W100 HydrophobicContact CB-CZ3 4.1Å; L33-F109 HydrophobicContact CD1-CE2 4.2Å; L33-F109 HydrophobicContact CD1-CZ 3.75Å
34R84.7Confident76.1Confident29 Ų2959.2 Ų59.211%0.10931%0.311CS..Hα-helixtrans-60.4-32.6174.7-76.7164.5166.6-155.7-13.3113.1F30 D31 C32 W94 E97 W100 S101F30-R34 WeakPolarHBondContact O-CD 3.34Å; F30-R34 VanDerWaalsContact O-CG 3.27Å; F30-R34 WeakPolarHBondContact O-CG 3.28Å; F30-R34 PolarHBondContact O-N 3.37Å; D31-R34 IonicContact OD1-NH1 3.02Å; C32-R34 VanDerWaalsContact C-N 3.31Å; C32-R34 PolarHBondContact O-N 2.97Å; R34-W94 VanDerWaalsContact NH2-C 3.32Å; R34-W94 PolarHBondContact NH2-O 3.05Å; R34-E97 IonicContact CZ-OE1 3.54Å; R34-E97 IonicContact CZ-OE2 2.83Å; R34-E97 IonicContact NH1-OE1 2.66Å; R34-E97 PolarHBondContact NH1-OE1 3.09Å; R34-E97 IonicContact NH1-OE2 2.77Å; R34-E97 PolarHBondContact NH1-OE2 2.74Å; R34-E97 IonicContact NH2-OE1 3.97Å; R34-E97 PolarHBondContact NH2-OE1 2.85Å; R34-E97 IonicContact NH2-OE2 3.7Å; R34-E97 PolarHBondContact NH2-OE2 2.88Å; R34-W100 HydrophobicContact CG-CD2 3.87Å; R34-W100 HydrophobicContact CG-CE3 4.27Å; R34-W100 HydrophobicContact CG-CG 4.25Å; R34-W100 HydrophobicContact CG-CH2 4.48Å; R34-W100 HydrophobicContact CG-CZ2 4.11Å; R34-S101 VanDerWaalsContact O-CB 3.31Å; R34-S101 WeakPolarHBondContact O-CB 3.43Å; R34-S101 PolarHBondContact O-N 3.44Å; R34-S101 PolarHBondContact O-OG 3.09Å
35Q84.4Confident76.3Confident157 Ų15760.4 Ų60.473%0.73431%0.312SS*.Hα-helixtrans-88-6.9-179.5-63175.225.100113.2D31 C32 L33 S101D31-Q35 WeakPolarHBondContact O-CG 3.4Å; C32-Q35 PolarHBondContact O-N 3.22Å; C32-Q35 VanDerWaalsContact O-N 3.07Å; L33-Q35 PolarHBondContact O-N 2.68Å; Q35-S101 VanDerWaalsContact C-OG 3.23Å; Q35-S101 PolarHBondContact O-OG 3.02Å
36C83.7Confident76.7Confident17 Ų1763.9 Ų63.912%0.11532%0.32CS..  trans-93143.2-176.5-71.70000112.4C32 L33 L50 S101 I105C32-C36 PolarHBondContact O-N 3.04Å; C32-C36 PolarHBondContact O-SG 2.92Å; L33-C36 PolarHBondContact O-N 2.72Å; L33-C36 VanDerWaalsContact O-N 3.17Å; C36-L50 HydrophobicContact CB-CD1 3.99Å; C36-L50 HydrophobicContact CB-CD2 3.97Å; C36-L50 HydrophobicContact CB-CG 4.19Å; C36-S101 PolarHBondContact N-OG 2.96Å; C36-S101 PolarHBondContact O-OG 2.72Å; C36-I105 WeakPolarHBondContact O-CD1 3.36Å
37R82.5Confident77.2Confident148 Ų14863.3 Ų63.356%0.55832%0.318SS*.  trans-128.4133.8176.5179.4175.1175.6-177.4-1.8110.4D102R37-D102 HydrophobicContact CB-CB 4.26Å; R37-D102 HydrophobicContact CG-CB 4.2Å
38F80.1Confident77.3Confident0 Ų066 Ų660%033%0.327CS..  trans-73.5127.7169.7-86.8-96.7000109.6N47 L50 V54 D102 I105 F152 K156 A160F38-N47 WeakPolarHBondContact CA-OD1 3.17Å; F38-N47 HydrophobicContact CD1-CB 4.03Å; F38-N47 WeakPolarHBondContact CD1-OD1 3.27Å; F38-N47 HydrophobicContact CE1-CB 4.22Å; F38-L50 HydrophobicContact CD2-CD2 3.53Å; F38-L50 HydrophobicContact CE1-CB 4.4Å; F38-L50 HydrophobicContact CE1-CD2 4.48Å; F38-L50 HydrophobicContact CE2-CB 4.43Å; F38-L50 HydrophobicContact CE2-CD2 3.45Å; F38-L50 VanDerWaalsContact CE2-CD2 3.45Å; F38-L50 HydrophobicContact CG-CD2 4.11Å; F38-L50 HydrophobicContact CZ-CB 4.1Å; F38-L50 HydrophobicContact CZ-CD2 3.95Å; F38-V54 HydrophobicContact CE2-CG2 3.96Å; F38-V54 HydrophobicContact CZ-CG2 4.2Å; F38-D102 PolarHBondContact N-OD2 3.07Å; F38-I105 HydrophobicContact CD2-CD1 3.65Å; F38-I105 HydrophobicContact CD2-CG1 3.58Å; F38-I105 HydrophobicContact CE2-CD1 3.87Å; F38-I105 HydrophobicContact CE2-CG1 3.78Å; F38-F152 HydrophobicContact CB-CE2 4.34Å; F38-F152 HydrophobicContact CD2-CE2 4.17Å; F38-F152 AromaticContact CD2-CZ 3.6Å; F38-F152 HydrophobicContact CD2-CZ 3.6Å; F38-F152 AromaticContact CE2-CZ 3.83Å; F38-F152 HydrophobicContact CE2-CZ 3.83Å; F38-F152 HydrophobicContact CG-CE2 4.21Å; F38-F152 HydrophobicContact CG-CZ 4.04Å; F38-F152 HydrophobicContact CZ-CZ 4.45Å; F38-K156 HydrophobicContact CB-CD 4.07Å; F38-K156 HydrophobicContact CD1-CB 4.46Å; F38-A160 HydrophobicContact CE1-CB 4.42Å
39E78.7Confident77.4Confident64 Ų6460.1 Ų60.130%0.29930%0.301SS..  trans-72.4155.7174.9-61.6-170.2-171.900109.8D41 N44 R46 N47 K156E39-D41 VanDerWaalsContact C-N 3.31Å; E39-N44 HydrophobicContact CB-CB 4.34Å; E39-N44 VanDerWaalsContact OE2-CG 3.24Å; E39-N44 PolarHBondContact OE2-ND2 3.39Å; E39-R46 WeakPolarHBondContact OE1-CD 3.37Å; E39-R46 IonicContact OE1-CZ 3.28Å; E39-R46 IonicContact OE1-NE 3.95Å; E39-R46 IonicContact OE1-NH1 2.73Å; E39-R46 PolarHBondContact OE1-NH1 2.99Å; E39-N47 PolarHBondContact N-OD1 3.33Å; E39-N47 PolarHBondContact O-ND2 3.28Å; E39-N47 VanDerWaalsContact O-ND2 3.11Å; E39-K156 PolarHBondContact O-NZ 2.82Å
40D69.3Low77.5Confident122 Ų12259.8 Ų59.865%0.65230%0.3SS*.SBendtrans-71.8-28.8-174-66.7-35.9000112.2A42 K156D40-A42 PolarHBondContact O-N 3.18Å; D40-K156 IonicContact OD1-NZ 3.77Å; D40-K156 PolarHBondContact OD1-NZ 2.81Å
41D67.7Low77.8Confident121 Ų12159.7 Ų59.765%0.64730%0.299SS*.SBendtrans-75.1108.8170.8-68.5-27.8000110.3E39 D43 N44 N47E39-D41 VanDerWaalsContact C-N 3.31Å; D41-D43 PolarHBondContact O-N 3.19Å; D41-N44 HydrophobicContact CB-CB 4.34Å; D41-N44 WeakPolarHBondContact O-CB 3.04Å; D41-N44 PolarHBondContact O-N 3.09Å; D41-N47 PolarHBondContact O-ND2 3.18Å
42A60.3Low78Confident25 Ų2556.6 Ų56.621%0.20728%0.283CS..THydrogen-bonded Turntrans-61.2-31.2-174.200000113.2D40 N44 P159D40-A42 PolarHBondContact O-N 3.18Å; A42-N44 VanDerWaalsContact C-N 3.29Å; A42-N44 PolarHBondContact O-N 3.18Å; A42-P159 HydrophobicContact CB-CB 3.76Å; A42-P159 HydrophobicContact CB-CG 4.22Å
43D64.1Low78.2Confident116 Ų11655.4 Ų55.462%0.6227%0.273SS*.THydrogen-bonded Turntrans-81.4-0.4178.6-80.1-42.9000115D41D41-D43 PolarHBondContact O-N 3.19Å
44N72.4Confident78.3Confident34 Ų3455.4 Ų55.418%0.18227%0.273CS..  trans-57.8131.2-177.8-167.3-61.7000110.8E39 D41 A42 R46 N47 K48E39-N44 HydrophobicContact CB-CB 4.34Å; E39-N44 VanDerWaalsContact OE2-CG 3.24Å; E39-N44 PolarHBondContact OE2-ND2 3.39Å; D41-N44 HydrophobicContact CB-CB 4.34Å; D41-N44 WeakPolarHBondContact O-CB 3.04Å; D41-N44 PolarHBondContact O-N 3.09Å; A42-N44 VanDerWaalsContact C-N 3.29Å; A42-N44 PolarHBondContact O-N 3.18Å; N44-R46 PolarHBondContact O-N 3.32Å; N44-R46 VanDerWaalsContact OD1-CB 3.23Å; N44-R46 WeakPolarHBondContact OD1-CB 3.47Å; N44-R46 PolarHBondContact OD1-N 3.12Å; N44-N47 WeakPolarHBondContact O-CB 3.34Å; N44-N47 PolarHBondContact O-N 2.75Å; N44-K48 PolarHBondContact O-N 3.14Å
45P68.5Low78.4Confident65 Ų6554 Ų5442%0.42227%0.268SS..Hα-helixtrans-55.9-25.1-179.521.9-34.3000113.2K48 A49P45-K48 PolarHBondContact O-N 2.93Å; P45-A49 PolarHBondContact O-N 3.4Å
46R77.6Confident78.5Confident118 Ų11846.6 Ų46.645%0.44523%0.233SC..Hα-helixtrans-67.2-41.4173.8-167.2-177.6-174177-0.2112.5E39 N44 K48 A49 L50E39-R46 WeakPolarHBondContact OE1-CD 3.37Å; E39-R46 IonicContact OE1-CZ 3.28Å; E39-R46 IonicContact OE1-NE 3.95Å; E39-R46 IonicContact OE1-NH1 2.73Å; E39-R46 PolarHBondContact OE1-NH1 2.99Å; N44-R46 PolarHBondContact O-N 3.32Å; N44-R46 VanDerWaalsContact OD1-CB 3.23Å; N44-R46 WeakPolarHBondContact OD1-CB 3.47Å; N44-R46 PolarHBondContact OD1-N 3.12Å; R46-K48 VanDerWaalsContact C-N 3.29Å; R46-K48 PolarHBondContact O-N 3Å; R46-A49 PolarHBondContact O-N 3.3Å; R46-A49 VanDerWaalsContact O-N 3.17Å; R46-L50 HydrophobicContact CG-CD1 4.35Å; R46-L50 WeakPolarHBondContact O-CB 3.49Å; R46-L50 PolarHBondContact O-N 3.39Å
47N80.2Confident78.4Confident0 Ų045.8 Ų45.80%023%0.227CC..Hα-helixtrans-62.9-38.8175.9-70.8-12.6000110.6F38 E39 D41 N44 A49 L50 L51 A160F38-N47 WeakPolarHBondContact CA-OD1 3.17Å; F38-N47 HydrophobicContact CD1-CB 4.03Å; F38-N47 WeakPolarHBondContact CD1-OD1 3.27Å; F38-N47 HydrophobicContact CE1-CB 4.22Å; E39-N47 PolarHBondContact N-OD1 3.33Å; E39-N47 PolarHBondContact O-ND2 3.28Å; E39-N47 VanDerWaalsContact O-ND2 3.11Å; D41-N47 PolarHBondContact O-ND2 3.18Å; N44-N47 WeakPolarHBondContact O-CB 3.34Å; N44-N47 PolarHBondContact O-N 2.75Å; N47-A49 VanDerWaalsContact C-N 3.31Å; N47-A49 PolarHBondContact O-N 2.9Å; N47-L50 PolarHBondContact O-N 2.8Å; N47-L51 PolarHBondContact O-N 3.47Å; N47-A160 HydrophobicContact CB-CB 4.08Å
48K76.6Confident78.6Confident92 Ų9238.8 Ų38.840%0.420%0.201SC..Hα-helixtrans-62.2-34.1174.1-62.4-176.5-179.7177.20113.1T6 N44 P45 R46 P52T6-K48 HydrophobicContact CG2-CB 4.04Å; N44-K48 PolarHBondContact O-N 3.14Å; P45-K48 PolarHBondContact O-N 2.93Å; R46-K48 VanDerWaalsContact C-N 3.29Å; R46-K48 PolarHBondContact O-N 3Å; K48-P52 WeakPolarHBondContact O-CD 3.5Å
49A80.6Confident78.5Confident14 Ų1440.5 Ų40.512%0.11621%0.209CC..Hα-helixtrans-82.7-28.5175.400000113.2L5 T6 A9 P45 R46 N47L5-A49 HydrophobicContact CB-CB 4.28Å; T6-A49 HydrophobicContact CG2-CB 3.96Å; A9-A49 WeakPolarHBondContact CB-O 3.46Å; P45-A49 PolarHBondContact O-N 3.4Å; R46-A49 PolarHBondContact O-N 3.3Å; R46-A49 VanDerWaalsContact O-N 3.17Å; N47-A49 VanDerWaalsContact C-N 3.31Å; N47-A49 PolarHBondContact O-N 2.9Å
50L85.2Confident78.4Confident9 Ų938.1 Ų38.15%0.04720%0.198CC..Hα-helixtrans-72.4-34.7177.9-126.886.7000112.3C36 F38 R46 N47 L53 V54 I105C36-L50 HydrophobicContact CB-CD1 3.99Å; C36-L50 HydrophobicContact CB-CD2 3.97Å; C36-L50 HydrophobicContact CB-CG 4.19Å; F38-L50 HydrophobicContact CD2-CD2 3.53Å; F38-L50 HydrophobicContact CE1-CB 4.4Å; F38-L50 HydrophobicContact CE1-CD2 4.48Å; F38-L50 HydrophobicContact CE2-CB 4.43Å; F38-L50 HydrophobicContact CE2-CD2 3.45Å; F38-L50 VanDerWaalsContact CE2-CD2 3.45Å; F38-L50 HydrophobicContact CG-CD2 4.11Å; F38-L50 HydrophobicContact CZ-CB 4.1Å; F38-L50 HydrophobicContact CZ-CD2 3.95Å; R46-L50 HydrophobicContact CG-CD1 4.35Å; R46-L50 WeakPolarHBondContact O-CB 3.49Å; R46-L50 PolarHBondContact O-N 3.39Å; N47-L50 PolarHBondContact O-N 2.8Å; L50-L53 WeakPolarHBondContact O-CB 3.44Å; L50-L53 PolarHBondContact O-N 3.26Å; L50-L53 VanDerWaalsContact O-N 3.13Å; L50-V54 WeakPolarHBondContact O-CG2 3.18Å; L50-V54 PolarHBondContact O-N 3.32Å; L50-I105 HydrophobicContact CD2-CD1 3.98Å
51L86.9Confident78.7Confident2 Ų232.4 Ų32.41%0.0117%0.168CC..Hα-helixtrans-59.6-48.6-174.8176.967.9000113.4N47 L53 V54 L55 M157 A160 G161 L162N47-L51 PolarHBondContact O-N 3.47Å; L51-L53 PolarHBondContact O-N 3.29Å; L51-V54 PolarHBondContact O-N 3.07Å; L51-L55 HydrophobicContact CD1-CD1 4.27Å; L51-L55 HydrophobicContact CD1-CG 4.38Å; L51-L55 HydrophobicContact CG-CD1 4.14Å; L51-L55 WeakPolarHBondContact O-CG 3.41Å; L51-L55 PolarHBondContact O-N 3.3Å; L51-M157 HydrophobicContact CD1-CB 4.27Å; L51-M157 HydrophobicContact CD1-CE 3.85Å; L51-M157 HydrophobicContact CD1-CG 4.48Å; L51-A160 HydrophobicContact CB-CB 4.4Å; L51-A160 HydrophobicContact CD2-CB 4.2Å; L51-G161 VanDerWaalsContact CD2-C 3.47Å; L51-L162 HydrophobicContact CD1-CD1 4.2Å; L51-L162 HydrophobicContact CD2-CB 4.06Å; L51-L162 HydrophobicContact CD2-CD1 4.47Å
52P86.1Confident79Confident1 Ų128.4 Ų28.41%0.00615%0.146CC..Hα-helixtrans-58.1-34.5173.8-2331000113.1A9 D10 F13 K48 L55 A56 F168A9-P52 HydrophobicContact CB-CB 3.93Å; A9-P52 HydrophobicContact CB-CG 4.08Å; D10-P52 WeakPolarHBondContact OD1-CG 3.42Å; F13-P52 HydrophobicContact CB-CB 4.24Å; K48-P52 WeakPolarHBondContact O-CD 3.5Å; P52-L55 PolarHBondContact O-N 3.41Å; P52-A56 VanDerWaalsContact O-CB 3.28Å; P52-A56 WeakPolarHBondContact O-CB 3.49Å; P52-A56 PolarHBondContact O-N 3.36Å; P52-F168 HydrophobicContact CB-CE1 4.3Å; P52-F168 HydrophobicContact CB-CZ 3.84Å; P52-F168 HydrophobicContact CG-CE2 4.24Å; P52-F168 HydrophobicContact CG-CZ 3.81Å
53L87.1Confident79.4Confident29 Ų2927.3 Ų27.315%0.15214%0.137CC..Hα-helixtrans-69.7-40.5177.1-63.2173.7000112.3A9 V12 L29 L33 L50 L51 L55 A56 G57A9-L53 HydrophobicContact CB-CD2 4.34Å; A9-L53 HydrophobicContact CB-CG 4.11Å; V12-L53 HydrophobicContact CB-CD2 4.11Å; V12-L53 HydrophobicContact CG1-CD2 3.86Å; V12-L53 HydrophobicContact CG2-CD2 4.5Å; L29-L53 HydrophobicContact CD1-CD2 3.95Å; L33-L53 HydrophobicContact CD2-CB 4.07Å; L50-L53 WeakPolarHBondContact O-CB 3.44Å; L50-L53 PolarHBondContact O-N 3.26Å; L50-L53 VanDerWaalsContact O-N 3.13Å; L51-L53 PolarHBondContact O-N 3.29Å; L53-L55 VanDerWaalsContact C-N 3.35Å; L53-A56 WeakPolarHBondContact O-CB 3.33Å; L53-A56 PolarHBondContact O-N 3.3Å; L53-G57 PolarHBondContact O-N 3.37Å
54V88.1Confident79.5Confident1 Ų124.2 Ų24.21%0.00612%0.124CC..Hα-helixtrans-62.6-44.9174.1173.40000110.1L33 F38 L50 L51 A56 G57 L58 I105 F109 M157L33-V54 HydrophobicContact CD2-CG2 3.97Å; F38-V54 HydrophobicContact CE2-CG2 3.96Å; F38-V54 HydrophobicContact CZ-CG2 4.2Å; L50-V54 WeakPolarHBondContact O-CG2 3.18Å; L50-V54 PolarHBondContact O-N 3.32Å; L51-V54 PolarHBondContact O-N 3.07Å; V54-A56 VanDerWaalsContact C-N 3.34Å; V54-G57 PolarHBondContact O-N 2.66Å; V54-L58 HydrophobicContact CG1-CD1 4.26Å; V54-L58 WeakPolarHBondContact O-CG 3.27Å; V54-L58 PolarHBondContact O-N 3.39Å; V54-I105 HydrophobicContact CG2-CG2 4.3Å; V54-F109 HydrophobicContact CG1-CE2 4.46Å; V54-F109 HydrophobicContact CG1-CZ 4.38Å; V54-M157 HydrophobicContact CG1-CE 4.05Å
55L87.3Confident79.1Confident0 Ų026 Ų260%014%0.139CC..Hα-helixtrans-64-39.1175.8-67.7169.2000111.7F13 L51 P52 L53 G57 L58 E59 L162 F168F13-L55 HydrophobicContact CD2-CB 3.82Å; F13-L55 HydrophobicContact CE2-CB 3.79Å; L51-L55 HydrophobicContact CD1-CD1 4.27Å; L51-L55 HydrophobicContact CD1-CG 4.38Å; L51-L55 HydrophobicContact CG-CD1 4.14Å; L51-L55 WeakPolarHBondContact O-CG 3.41Å; L51-L55 PolarHBondContact O-N 3.3Å; P52-L55 PolarHBondContact O-N 3.41Å; L53-L55 VanDerWaalsContact C-N 3.35Å; L55-G57 VanDerWaalsContact C-N 3.29Å; L55-G57 PolarHBondContact O-N 2.96Å; L55-L58 HydrophobicContact CD2-CD1 4.32Å; L55-L58 CarbonylContact O-C 3.59Å; L55-L58 WeakPolarHBondContact O-CA 3.45Å; L55-L58 WeakPolarHBondContact O-CB 3.48Å; L55-L58 PolarHBondContact O-N 3.36Å; L55-E59 WeakPolarHBondContact O-CG 3.41Å; L55-E59 PolarHBondContact O-N 2.94Å; L55-L162 HydrophobicContact CD1-CD1 3.78Å; L55-L162 HydrophobicContact CD2-CD1 3.98Å; L55-L162 HydrophobicContact CG-CD1 4.4Å; L55-F168 HydrophobicContact CD1-CB 3.61Å; L55-F168 HydrophobicContact CD1-CD1 3.3Å; L55-F168 HydrophobicContact CD1-CD2 4.02Å; L55-F168 HydrophobicContact CD1-CE1 3.92Å; L55-F168 HydrophobicContact CD1-CG 3.36Å
56A85.5Confident78.7Confident0 Ų023.2 Ų23.20%012%0.121CC..Hα-helixtrans-59.8-41.5174.200000111.2V12 F13 C16 L29 P52 L53 V54 L58 E59 L60V12-A56 HydrophobicContact CG1-CB 4.46Å; F13-A56 HydrophobicContact CB-CB 4.27Å; F13-A56 HydrophobicContact CD2-CB 4.31Å; C16-A56 HydrophobicContact CB-CB 4.2Å; L29-A56 HydrophobicContact CD2-CB 3.93Å; P52-A56 VanDerWaalsContact O-CB 3.28Å; P52-A56 WeakPolarHBondContact O-CB 3.49Å; P52-A56 PolarHBondContact O-N 3.36Å; L53-A56 WeakPolarHBondContact O-CB 3.33Å; L53-A56 PolarHBondContact O-N 3.3Å; V54-A56 VanDerWaalsContact C-N 3.34Å; A56-L58 VanDerWaalsContact C-N 3.33Å; A56-L58 PolarHBondContact O-N 3.03Å; A56-E59 PolarHBondContact O-N 3.23Å; A56-L60 VanDerWaalsContact O-CG 3.31Å; A56-L60 WeakPolarHBondContact O-CG 3.49Å; A56-L60 PolarHBondContact O-N 3.19Å; A56-L60 VanDerWaalsContact O-N 3.1Å
57G82.5Confident77.8Confident0 Ų021.9 Ų21.90%012%0.12CC..Hα-helixtrans-61.3-39.3172.300000113.2L53 V54 L55 L60 M61L53-G57 PolarHBondContact O-N 3.37Å; V54-G57 PolarHBondContact O-N 2.66Å; L55-G57 VanDerWaalsContact C-N 3.29Å; L55-G57 PolarHBondContact O-N 2.96Å; G57-L60 PolarHBondContact O-N 3.22Å; G57-M61 PolarHBondContact O-N 3.08Å
58L85.2Confident76.7Confident1 Ų127.7 Ų27.71%0.00515%0.151CC..Hα-helixtrans-72.2-31.1177.5-67.9170.4000113V54 L55 A56 M61 D62 V108 F109 V112 R171 I175V54-L58 HydrophobicContact CG1-CD1 4.26Å; V54-L58 WeakPolarHBondContact O-CG 3.27Å; V54-L58 PolarHBondContact O-N 3.39Å; L55-L58 HydrophobicContact CD2-CD1 4.32Å; L55-L58 CarbonylContact O-C 3.59Å; L55-L58 WeakPolarHBondContact O-CA 3.45Å; L55-L58 WeakPolarHBondContact O-CB 3.48Å; L55-L58 PolarHBondContact O-N 3.36Å; A56-L58 VanDerWaalsContact C-N 3.33Å; A56-L58 PolarHBondContact O-N 3.03Å; L58-M61 PolarHBondContact O-N 3.25Å; L58-D62 PolarHBondContact O-N 2.85Å; L58-V108 HydrophobicContact CD1-CG1 4.01Å; L58-V108 HydrophobicContact CD2-CG1 4.32Å; L58-F109 HydrophobicContact CD2-CD1 3.91Å; L58-F109 HydrophobicContact CD2-CE1 3.87Å; L58-F109 HydrophobicContact CG-CE1 4.06Å; L58-V112 HydrophobicContact CD2-CB 4.17Å; L58-V112 HydrophobicContact CD2-CG1 4.25Å; L58-V112 HydrophobicContact CD2-CG2 3.98Å; L58-R171 PolarHBondContact O-NH2 3.02Å; L58-I175 HydrophobicContact CB-CD1 4.45Å; L58-I175 HydrophobicContact CD1-CD1 3.9Å
59E78.7Confident75.7Confident36 Ų3624.3 Ų24.317%0.16814%0.14CC..Hα-helixtrans-66.7-38.7171.2-70.7-63.2170.700111.5F13 L55 A56 M61 D62 R171F13-E59 HydrophobicContact CD2-CG 4.24Å; F13-E59 HydrophobicContact CE2-CG 3.56Å; F13-E59 HydrophobicContact CZ-CG 4.27Å; L55-E59 WeakPolarHBondContact O-CG 3.41Å; L55-E59 PolarHBondContact O-N 2.94Å; A56-E59 PolarHBondContact O-N 3.23Å; E59-M61 PolarHBondContact O-N 2.94Å; E59-M61 VanDerWaalsContact O-N 3.17Å; E59-D62 VanDerWaalsContact O-CB 3.3Å; E59-D62 WeakPolarHBondContact O-CB 3.37Å; E59-D62 PolarHBondContact O-N 2.99Å; E59-R171 VanDerWaalsContact CD-CD 3.49Å; E59-R171 HydrophobicContact CG-CG 4.47Å; E59-R171 WeakPolarHBondContact OE1-CB 3.45Å; E59-R171 WeakPolarHBondContact OE1-CD 3.44Å; E59-R171 WeakPolarHBondContact OE1-CG 3.29Å; E59-R171 IonicContact OE1-NE 3.95Å; E59-R171 IonicContact OE2-NE 2.82Å
60L76.1Confident74.6Confident15 Ų1525.4 Ų25.48%0.07915%0.153CC..THydrogen-bonded Turntrans-65.4-18.2175.4-65.7170.8000113.4C16 K26 L29 A56 G57C16-L60 HydrophobicContact CB-CD2 4.34Å; K26-L60 HydrophobicContact CB-CD1 4.37Å; K26-L60 HydrophobicContact CD-CD2 4.44Å; K26-L60 HydrophobicContact CG-CD1 3.99Å; K26-L60 HydrophobicContact CG-CD2 3.99Å; K26-L60 HydrophobicContact CG-CG 4.45Å; L29-L60 HydrophobicContact CD2-CD1 3.59Å; A56-L60 VanDerWaalsContact O-CG 3.31Å; A56-L60 WeakPolarHBondContact O-CG 3.49Å; A56-L60 PolarHBondContact O-N 3.19Å; A56-L60 VanDerWaalsContact O-N 3.1Å; G57-L60 PolarHBondContact O-N 3.22Å
61M75.7Confident73.2Confident1 Ų130.3 Ų30.31%0.00519%0.185CC..THydrogen-bonded Turntrans-92.2-4.1172.4-69.7-177.462.900113.6F30 G57 L58 E59 L91 I95 F109 V112 A113 T116F30-M61 HydrophobicContact CZ-CG 4.43Å; F30-M61 HydrophobicContact CZ-SD 4.49Å; G57-M61 PolarHBondContact O-N 3.08Å; L58-M61 PolarHBondContact O-N 3.25Å; E59-M61 PolarHBondContact O-N 2.94Å; E59-M61 VanDerWaalsContact O-N 3.17Å; M61-L91 HydrophobicContact CE-CD2 4.37Å; M61-L91 HydrophobicContact CG-CD1 4.06Å; M61-I95 HydrophobicContact CE-CD1 3.84Å; M61-I95 HydrophobicContact SD-CD1 3.97Å; M61-F109 HydrophobicContact SD-CD1 3.67Å; M61-F109 HydrophobicContact SD-CE1 4.36Å; M61-V112 HydrophobicContact CE-CG1 4.42Å; M61-A113 HydrophobicContact CE-CB 3.91Å; M61-T116 WeakPolarHBondContact O-CG2 3.29Å; M61-T116 PolarHBondContact O-OG1 3.15Å
62D74.2Confident71.5Confident37 Ų3739.1 Ų39.120%0.19823%0.226CC..  trans-73.4127175.7-159.6-10000111.1L58 E59 S64 R171L58-D62 PolarHBondContact O-N 2.85Å; E59-D62 VanDerWaalsContact O-CB 3.3Å; E59-D62 WeakPolarHBondContact O-CB 3.37Å; E59-D62 PolarHBondContact O-N 2.99Å; D62-S64 WeakPolarHBondContact OD1-CB 3.44Å; D62-S64 PolarHBondContact OD1-N 3.33Å; D62-S64 PolarHBondContact OD1-OG 2.93Å; D62-S64 PolarHBondContact OD2-OG 2.69Å; D62-R171 VanDerWaalsContact CG-CZ 3.47Å; D62-R171 IonicContact OD1-NH1 3.99Å; D62-R171 IonicContact OD2-CZ 3.02Å; D62-R171 IonicContact OD2-NE 3.8Å; D62-R171 IonicContact OD2-NH1 2.7Å; D62-R171 PolarHBondContact OD2-NH1 3.35Å; D62-R171 IonicContact OD2-NH2 3.74Å
63V69.6Low70Confident3 Ų342 Ų422%0.01824%0.244CC..  trans-118.2-1.7-178.3172.70000110.2S65 L66 T116 L119 L120V63-S65 PolarHBondContact O-N 3.37Å; V63-S65 VanDerWaalsContact O-N 3.07Å; V63-L66 HydrophobicContact CB-CD1 4.25Å; V63-L66 HydrophobicContact CG1-CB 4.12Å; V63-L66 HydrophobicContact CG1-CD1 3.64Å; V63-L66 HydrophobicContact CG1-CG 4.46Å; V63-L66 HydrophobicContact CG2-CD1 4.4Å; V63-L66 WeakPolarHBondContact O-CB 3.5Å; V63-L66 PolarHBondContact O-N 3.47Å; V63-T116 HydrophobicContact CG2-CG2 3.74Å; V63-L119 HydrophobicContact CB-CB 4.39Å; V63-L119 HydrophobicContact CG1-CB 4.31Å; V63-L120 HydrophobicContact CB-CD2 4.37Å; V63-L120 HydrophobicContact CB-CG 4.41Å; V63-L120 HydrophobicContact CG1-CD2 3.46Å; V63-L120 VanDerWaalsContact CG1-CD2 3.46Å; V63-L120 HydrophobicContact CG1-CG 3.74Å; V63-L120 HydrophobicContact CG2-CD1 4.44Å; V63-L120 HydrophobicContact CG2-CD2 3.91Å; V63-L120 HydrophobicContact CG2-CG 3.94Å
64S65.9Low68.2Low50 Ų5045.8 Ų45.835%0.3526%0.264SS..G310 helixtrans-54.2-32.6-177.658.90000113.8D62 L66 E67D62-S64 WeakPolarHBondContact OD1-CB 3.44Å; D62-S64 PolarHBondContact OD1-N 3.33Å; D62-S64 PolarHBondContact OD1-OG 2.93Å; D62-S64 PolarHBondContact OD2-OG 2.69Å; S64-L66 PolarHBondContact O-N 2.76Å; S64-E67 PolarHBondContact O-N 3.4Å
65S63Low66.3Low71 Ų7153.1 Ų53.150%0.49730%0.296SS..G310 helixtrans-67.6-16.8176.1600000114.7V63V63-S65 PolarHBondContact O-N 3.37Å; V63-S65 VanDerWaalsContact O-N 3.07Å
66L61.3Low64.1Low8 Ų859 Ų594%0.04233%0.328CS..G310 helixtrans-84.8-15.2-178.7-71.2155.2000113V63 S64 D68 A69 L78 N83 V123 W125V63-L66 HydrophobicContact CB-CD1 4.25Å; V63-L66 HydrophobicContact CG1-CB 4.12Å; V63-L66 HydrophobicContact CG1-CD1 3.64Å; V63-L66 HydrophobicContact CG1-CG 4.46Å; V63-L66 HydrophobicContact CG2-CD1 4.4Å; V63-L66 WeakPolarHBondContact O-CB 3.5Å; V63-L66 PolarHBondContact O-N 3.47Å; S64-L66 PolarHBondContact O-N 2.76Å; L66-D68 VanDerWaalsContact C-N 3.3Å; L66-A69 PolarHBondContact O-N 3.43Å; L66-L78 HydrophobicContact CD2-CD2 3.73Å; L66-N83 WeakPolarHBondContact CD1-OD1 3.29Å; L66-N83 WeakPolarHBondContact CD2-ND2 3.4Å; L66-V123 HydrophobicContact CB-CG2 4.3Å; L66-W125 HydrophobicContact CD2-CZ2 4.29Å
67E59Low62.3Low90 Ų9064.7 Ų64.742%0.42136%0.358SS..SBendtrans-67.3-32.5174.8-64.4-172.7161.900112.1S64 L119S64-E67 PolarHBondContact O-N 3.4Å; E67-L119 WeakPolarHBondContact OE1-CD2 3.42Å
68D56.7Low60.7Low122 Ų12266 Ų6665%0.65237%0.365SS*.SBendtrans-87-8.7179-75-29.9000112.9L66 G70 K254L66-D68 VanDerWaalsContact C-N 3.3Å; D68-G70 PolarHBondContact O-N 3.08Å; D68-K254 IonicContact OD1-NZ 3.64Å; D68-K254 PolarHBondContact OD1-NZ 3.34Å; D68-K254 IonicContact OD2-NZ 2.83Å; D68-K254 PolarHBondContact OD2-NZ 2.93Å
69A55.2Low58.6Low21 Ų2169 Ų6917%0.17439%0.39CS..  trans-83.3108.1-174.700000112L66L66-A69 PolarHBondContact O-N 3.43Å
70G57.4Low57.1Low37 Ų3772.2 Ų72.238%0.38140%0.403SS..  trans-67.6164.1172.600000113.1D68 E72 T73D68-G70 PolarHBondContact O-N 3.08Å; G70-E72 PolarHBondContact O-N 3.07Å; G70-T73 PolarHBondContact O-N 3.13Å; G70-T73 PolarHBondContact O-OG1 3.23Å
71P55.3Low56Low111 Ų11172.1 Ų72.172%0.72140%0.403SS*.THydrogen-bonded Turntrans-64.3-7.2-177.526.9-35.2000115
72E52.6Low54.9Low188 Ų18872.7 Ų72.788%0.87941%0.406SS*.THydrogen-bonded Turntrans-97.4-4.7-178.6-62.6-169.5170.300114.1G70 D74G70-E72 PolarHBondContact O-N 3.07Å; E72-D74 PolarHBondContact O-N 3.05Å
73T54.9Low53.9Low61 Ų6171.9 Ų71.937%0.37440%0.402SS..SBendtrans-64.4124.2172.137.60000109.8G70 F75 L78G70-T73 PolarHBondContact O-N 3.13Å; G70-T73 PolarHBondContact O-OG1 3.23Å; T73-F75 PolarHBondContact O-N 3.44Å; T73-F75 VanDerWaalsContact O-N 3.09Å; T73-L78 WeakPolarHBondContact O-CD1 3.37Å
74D48.7Very low53.3Low108 Ų10874.7 Ų74.758%0.57842%0.419SS*.  trans-35112-176.5-104.7-33.6000112.2E72 N76 L77 L78E72-D74 PolarHBondContact O-N 3.05Å; D74-N76 PolarHBondContact O-N 2.95Å; D74-L77 HydrophobicContact CB-CB 4.09Å; D74-L77 HydrophobicContact CB-CD1 3.84Å; D74-L77 HydrophobicContact CB-CG 4.35Å; D74-L77 WeakPolarHBondContact O-CA 3.38Å; D74-L77 WeakPolarHBondContact O-CB 3.03Å; D74-L77 PolarHBondContact O-N 3.31Å; D74-L78 PolarHBondContact O-N 3.44Å; D74-L78 VanDerWaalsContact O-N 3.15Å
75F47.3Very low52.9Low156 Ų15674.1 Ų74.168%0.68442%0.415SS*.Hα-helixtrans-51.8-27.1176.6-105.6-91.3000112.2T73 L78 A79T73-F75 PolarHBondContact O-N 3.44Å; T73-F75 VanDerWaalsContact O-N 3.09Å; F75-L78 PolarHBondContact O-N 3.5Å; F75-A79 WeakPolarHBondContact O-CB 3.39Å; F75-A79 PolarHBondContact O-N 2.86Å
76N41.1Very low52.9Low124 Ų12475 Ų7566%0.66341%0.411SS*.Hα-helixtrans-75.8-26.8176.4-68-27.5000113.8D74 F80D74-N76 PolarHBondContact O-N 2.95Å; N76-F80 WeakPolarHBondContact O-CD2 3.46Å; N76-F80 VanDerWaalsContact O-CE2 3.24Å; N76-F80 WeakPolarHBondContact O-CE2 3.36Å
77L47.3Very low53Low119 Ų11974.9 Ų74.962%0.62341%0.41SS*.Hα-helixtrans-78.7-30.6171.1-90.4153.7000111.1D74D74-L77 HydrophobicContact CB-CB 4.09Å; D74-L77 HydrophobicContact CB-CD1 3.84Å; D74-L77 HydrophobicContact CB-CG 4.35Å; D74-L77 WeakPolarHBondContact O-CA 3.38Å; D74-L77 WeakPolarHBondContact O-CB 3.03Å; D74-L77 PolarHBondContact O-N 3.31Å
78L48.8Very low53.2Low28 Ų2870.7 Ų70.715%0.14739%0.392CS..Hα-helixtrans-78.3-23.5174.6-68.2167000113.5L66 T73 D74 F75 F80 S81 N83L66-L78 HydrophobicContact CD2-CD2 3.73Å; T73-L78 WeakPolarHBondContact O-CD1 3.37Å; D74-L78 PolarHBondContact O-N 3.44Å; D74-L78 VanDerWaalsContact O-N 3.15Å; F75-L78 PolarHBondContact O-N 3.5Å; L78-F80 PolarHBondContact O-N 3.28Å; L78-S81 WeakPolarHBondContact O-CB 3.25Å; L78-S81 PolarHBondContact O-N 3.2Å; L78-S81 VanDerWaalsContact O-N 3.12Å; L78-N83 WeakPolarHBondContact CD2-ND2 3.46Å
79A42Very low53.8Low64 Ų6470.5 Ų70.553%0.52938%0.382SS..THydrogen-bonded Turntrans-65.4-14.6179.100000114.5F75F75-A79 WeakPolarHBondContact O-CB 3.39Å; F75-A79 PolarHBondContact O-N 2.86Å
80F47.7Very low54.5Low102 Ų10272.7 Ų72.745%0.44739%0.388SS..THydrogen-bonded Turntrans-96.7-10.4176.6-64.2-74.7000113.2G21 L22 K26 N76 L78G21-F80 VanDerWaalsContact O-O 3.11Å; L22-F80 HydrophobicContact CD2-CD1 3.39Å; L22-F80 HydrophobicContact CD2-CE1 3.46Å; L22-F80 VanDerWaalsContact CD2-CE1 3.46Å; L22-F80 HydrophobicContact CD2-CG 4.24Å; L22-F80 HydrophobicContact CD2-CZ 4.37Å; K26-F80 PolarHBondContact NZ-O 3.3Å; N76-F80 WeakPolarHBondContact O-CD2 3.46Å; N76-F80 VanDerWaalsContact O-CE2 3.24Å; N76-F80 WeakPolarHBondContact O-CE2 3.36Å; L78-F80 PolarHBondContact O-N 3.28Å
81S51.7Low55.2Low13 Ų1371 Ų719%0.09137%0.371CS..SBendtrans-87.9162.6175.3-177.40000111.2L20 L78 N83L20-S81 WeakPolarHBondContact CD2-OG 3.31Å; L78-S81 WeakPolarHBondContact O-CB 3.25Å; L78-S81 PolarHBondContact O-N 3.2Å; L78-S81 VanDerWaalsContact O-N 3.12Å; S81-N83 VanDerWaalsContact CB-CG 3.47Å; S81-N83 VanDerWaalsContact CB-ND2 3.33Å; S81-N83 WeakPolarHBondContact CB-ND2 3.05Å; S81-N83 WeakPolarHBondContact CB-OD1 3.41Å; S81-N83 PolarHBondContact O-N 2.78Å; S81-N83 VanDerWaalsContact OG-CG 3.24Å; S81-N83 PolarHBondContact OG-ND2 3.1Å; S81-N83 PolarHBondContact OG-OD1 3.38Å
82M52.9Low56.1Low14 Ų1468.8 Ų68.87%0.06935%0.35CS..SBendtrans-61.343.5176.3-85-79.8-58.700114.2L91M82-L91 HydrophobicContact CE-CB 3.6Å; M82-L91 HydrophobicContact CE-CD1 3.46Å; M82-L91 VanDerWaalsContact CE-CD1 3.46Å; M82-L91 HydrophobicContact CE-CD2 3.89Å; M82-L91 HydrophobicContact CE-CG 3.8Å; M82-L91 HydrophobicContact SD-CB 4.02Å; M82-L91 HydrophobicContact SD-CD1 3.6Å; M82-L91 HydrophobicContact SD-CG 4.35Å
83N53.3Low57.2Low19 Ų1964.4 Ų64.410%0.10233%0.332CS..  trans-114.33.9-158.7-64.75.7000113.6L66 L78 S81L66-N83 WeakPolarHBondContact CD1-OD1 3.29Å; L66-N83 WeakPolarHBondContact CD2-ND2 3.4Å; L78-N83 WeakPolarHBondContact CD2-ND2 3.46Å; S81-N83 VanDerWaalsContact CB-CG 3.47Å; S81-N83 VanDerWaalsContact CB-ND2 3.33Å; S81-N83 WeakPolarHBondContact CB-ND2 3.05Å; S81-N83 WeakPolarHBondContact CB-OD1 3.41Å; S81-N83 PolarHBondContact O-N 2.78Å; S81-N83 VanDerWaalsContact OG-CG 3.24Å; S81-N83 PolarHBondContact OG-ND2 3.1Å; S81-N83 PolarHBondContact OG-OD1 3.38Å
84T56.8Low58.2Low63 Ų6363.4 Ų63.439%0.38732%0.322SS..SBendtrans-98.6140.8167.863.60000109.8E86 S87 A88T84-E86 WeakPolarHBondContact CB-OE2 3.42Å; T84-E86 PolarHBondContact O-N 3.48Å; T84-E86 VanDerWaalsContact O-N 3.11Å; T84-S87 PolarHBondContact N-OG 3.38Å; T84-S87 PolarHBondContact O-N 3.15Å; T84-S87 PolarHBondContact O-OG 3.22Å; T84-S87 WeakPolarHBondContact OG1-CB 3.44Å; T84-S87 PolarHBondContact OG1-N 3.49Å; T84-S87 VanDerWaalsContact OG1-N 3.12Å; T84-S87 PolarHBondContact OG1-OG 3Å; T84-S87 VanDerWaalsContact OG1-OG 3.14Å; T84-A88 PolarHBondContact O-N 3.46Å
85P58.3Low59.6Low38 Ų3858.3 Ų58.325%0.24729%0.294CS..Hα-helixtrans-59.2-22174.523.5-31.4000112.3R89P85-R89 PolarHBondContact O-N 2.67Å; P85-R89 PolarHBondContact O-NE 2.93Å
86E62.7Low61.1Low89 Ų8952.9 Ų52.942%0.41628%0.275SS..Hα-helixtrans-65.6-50.3169.1-66.265.7-132.300111.8T84 A88 R89 E90T84-E86 WeakPolarHBondContact CB-OE2 3.42Å; T84-E86 PolarHBondContact O-N 3.48Å; T84-E86 VanDerWaalsContact O-N 3.11Å; E86-A88 VanDerWaalsContact C-N 3.33Å; E86-A88 PolarHBondContact O-N 2.67Å; E86-R89 WeakPolarHBondContact O-CB 3.2Å; E86-R89 PolarHBondContact O-N 2.96Å; E86-R89 IonicContact OE1-NH2 3.64Å; E86-R89 PolarHBondContact OE1-NH2 3.38Å; E86-R89 VanDerWaalsContact OE1-NH2 3.09Å; E86-E90 WeakPolarHBondContact O-CG 3.4Å; E86-E90 PolarHBondContact O-N 3.48Å
87S63.2Low62.7Low5 Ų550.2 Ų50.24%0.03526%0.259CS..Hα-helixtrans-64.5-33.8-178.965.40000113.4T84 E90 L91T84-S87 PolarHBondContact N-OG 3.38Å; T84-S87 PolarHBondContact O-N 3.15Å; T84-S87 PolarHBondContact O-OG 3.22Å; T84-S87 WeakPolarHBondContact OG1-CB 3.44Å; T84-S87 PolarHBondContact OG1-N 3.49Å; T84-S87 VanDerWaalsContact OG1-N 3.12Å; T84-S87 PolarHBondContact OG1-OG 3Å; T84-S87 VanDerWaalsContact OG1-OG 3.14Å; S87-E90 PolarHBondContact O-N 3.25Å; S87-L91 WeakPolarHBondContact O-CB 3.5Å; S87-L91 PolarHBondContact O-N 2.92Å
88A64.1Low63.8Low3 Ų352 Ų523%0.02526%0.261CS..Hα-helixtrans-71-3517500000112.6T84 E86 K92T84-A88 PolarHBondContact O-N 3.46Å; E86-A88 VanDerWaalsContact C-N 3.33Å; E86-A88 PolarHBondContact O-N 2.67Å; A88-K92 PolarHBondContact O-N 3.41Å; A88-K92 VanDerWaalsContact O-N 3.16Å
89R68.6Low65.2Low118 Ų11857.1 Ų57.145%0.44529%0.289SS..Hα-helixtrans-65.8-46.2170.6-94.8-179-86.4117.9-1.9111.2P85 E86 K92 D93P85-R89 PolarHBondContact O-N 2.67Å; P85-R89 PolarHBondContact O-NE 2.93Å; E86-R89 WeakPolarHBondContact O-CB 3.2Å; E86-R89 PolarHBondContact O-N 2.96Å; E86-R89 IonicContact OE1-NH2 3.64Å; E86-R89 PolarHBondContact OE1-NH2 3.38Å; E86-R89 VanDerWaalsContact OE1-NH2 3.09Å; R89-K92 WeakPolarHBondContact O-CB 3.28Å; R89-K92 PolarHBondContact O-N 3.24Å; R89-D93 PolarHBondContact O-N 3.14Å
90E69.7Low67.2Low66 Ų6654.5 Ų54.531%0.30827%0.265SS..Hα-helixtrans-64.4-41.3178.9-71.6169.317000112.5Y23 E86 S87 K92 D93 W94Y23-E90 VanDerWaalsContact CE2-OE2 3.31Å; Y23-E90 WeakPolarHBondContact CE2-OE2 3.33Å; Y23-E90 VanDerWaalsContact CZ-OE2 3.27Å; Y23-E90 PolarHBondContact OH-OE2 3.28Å; E86-E90 WeakPolarHBondContact O-CG 3.4Å; E86-E90 PolarHBondContact O-N 3.48Å; S87-E90 PolarHBondContact O-N 3.25Å; E90-K92 VanDerWaalsContact C-N 3.34Å; E90-K92 PolarHBondContact O-N 3.28Å; E90-D93 PolarHBondContact O-N 3.43Å; E90-W94 HydrophobicContact CB-CH2 4.36Å; E90-W94 HydrophobicContact CB-CZ2 4.1Å; E90-W94 WeakPolarHBondContact O-CB 3.45Å; E90-W94 PolarHBondContact O-N 2.69Å
91L71.8Confident68.8Low3 Ų352.8 Ų52.82%0.01627%0.266CS..Hα-helixtrans-63.4-40.3174.4-178.3128.2000111.8F30 M61 M82 S87 W94 I95 F117F30-L91 HydrophobicContact CE2-CD1 4.35Å; F30-L91 HydrophobicContact CZ-CD1 4.32Å; M61-L91 HydrophobicContact CE-CD2 4.37Å; M61-L91 HydrophobicContact CG-CD1 4.06Å; M82-L91 HydrophobicContact CE-CB 3.6Å; M82-L91 HydrophobicContact CE-CD1 3.46Å; M82-L91 VanDerWaalsContact CE-CD1 3.46Å; M82-L91 HydrophobicContact CE-CD2 3.89Å; M82-L91 HydrophobicContact CE-CG 3.8Å; M82-L91 HydrophobicContact SD-CB 4.02Å; M82-L91 HydrophobicContact SD-CD1 3.6Å; M82-L91 HydrophobicContact SD-CG 4.35Å; S87-L91 WeakPolarHBondContact O-CB 3.5Å; S87-L91 PolarHBondContact O-N 2.92Å; L91-W94 PolarHBondContact O-N 3.12Å; L91-I95 HydrophobicContact CD2-CD1 3.53Å; L91-I95 HydrophobicContact CG-CD1 3.94Å; L91-I95 WeakPolarHBondContact O-CG1 3.39Å; L91-I95 PolarHBondContact O-N 2.78Å; L91-F117 HydrophobicContact CD2-CZ 4.2Å
92K74.7Confident70.3Confident64 Ų6452.7 Ų52.728%0.27826%0.264SS..Hα-helixtrans-59.1-50.7171.9169.7174.7175.4-1770110.6A88 R89 E90 W94 I95 C96 F117 Y135 F140A88-K92 PolarHBondContact O-N 3.41Å; A88-K92 VanDerWaalsContact O-N 3.16Å; R89-K92 WeakPolarHBondContact O-CB 3.28Å; R89-K92 PolarHBondContact O-N 3.24Å; E90-K92 VanDerWaalsContact C-N 3.34Å; E90-K92 PolarHBondContact O-N 3.28Å; K92-W94 PolarHBondContact O-N 3.2Å; K92-I95 PolarHBondContact O-N 3.17Å; K92-C96 WeakPolarHBondContact O-CB 3.35Å; K92-C96 PolarHBondContact O-N 3.23Å; K92-C96 PolarHBondContact O-SG 3.19Å; K92-C96 VanDerWaalsContact O-SG 3.34Å; K92-F117 HydrophobicContact CB-CZ 4.3Å; K92-Y135 HydrophobicContact CB-CE1 4.23Å; K92-Y135 HydrophobicContact CD-CD1 3.65Å; K92-Y135 HydrophobicContact CD-CE1 3.42Å; K92-Y135 VanDerWaalsContact CD-CE1 3.42Å; K92-Y135 HydrophobicContact CG-CE1 4.43Å; K92-F140 HydrophobicContact CD-CZ 4.25Å; K92-F140 HydrophobicContact CG-CZ 4.15Å
93D76.5Confident71.9Confident95 Ų9555 Ų5551%0.50828%0.275SS..Hα-helixtrans-58.4-37.7178.8-68.4-20000110.3R89 E90 C96 E97R89-D93 PolarHBondContact O-N 3.14Å; E90-D93 PolarHBondContact O-N 3.43Å; D93-C96 PolarHBondContact O-N 3.19Å; D93-E97 WeakPolarHBondContact O-CB 3.49Å; D93-E97 WeakPolarHBondContact O-CG 3.32Å; D93-E97 PolarHBondContact O-N 3.33Å
94W75.2Confident73.3Confident41 Ų4157 Ų5716%0.15529%0.286CS..Hα-helixtrans-67.5-39.5179.3-66.7-22.4000114.3Y23 V27 F30 R34 E90 L91 K92 W100Y23-W94 HydrophobicContact CE2-CH2 4.1Å; V27-W94 HydrophobicContact CG2-CH2 3.44Å; V27-W94 VanDerWaalsContact CG2-CH2 3.44Å; V27-W94 HydrophobicContact CG2-CZ2 3.69Å; V27-W94 HydrophobicContact CG2-CZ3 4.33Å; F30-W94 HydrophobicContact CD2-CE3 4.46Å; R34-W94 VanDerWaalsContact NH2-C 3.32Å; R34-W94 PolarHBondContact NH2-O 3.05Å; E90-W94 HydrophobicContact CB-CH2 4.36Å; E90-W94 HydrophobicContact CB-CZ2 4.1Å; E90-W94 WeakPolarHBondContact O-CB 3.45Å; E90-W94 PolarHBondContact O-N 2.69Å; L91-W94 PolarHBondContact O-N 3.12Å; K92-W94 PolarHBondContact O-N 3.2Å; W94-W100 PolarHBondContact O-NE1 2.8Å
95I78.2Confident74.7Confident0 Ų054 Ų540%027%0.268CS..Hα-helixtrans-77.2-39.2178.2-63170.6000110.5M61 L91 K92 R106 F109 L110 A113M61-I95 HydrophobicContact CE-CD1 3.84Å; M61-I95 HydrophobicContact SD-CD1 3.97Å; L91-I95 HydrophobicContact CD2-CD1 3.53Å; L91-I95 HydrophobicContact CG-CD1 3.94Å; L91-I95 WeakPolarHBondContact O-CG1 3.39Å; L91-I95 PolarHBondContact O-N 2.78Å; K92-I95 PolarHBondContact O-N 3.17Å; I95-R106 PolarHBondContact O-NE 3.13Å; I95-F109 HydrophobicContact CG1-CB 4.43Å; I95-F109 HydrophobicContact CG2-CB 4.22Å; I95-L110 HydrophobicContact CG2-CD2 3.58Å; I95-L110 HydrophobicContact CG2-CG 3.89Å; I95-A113 HydrophobicContact CD1-CB 4.34Å
96C77.7Confident76.2Confident42 Ų4252.5 Ų52.528%0.28426%0.257SS..Hα-helixtrans-75.6-20.6-177.6-71.10000113.7K92 D93 K98 R106K92-C96 WeakPolarHBondContact O-CB 3.35Å; K92-C96 PolarHBondContact O-N 3.23Å; K92-C96 PolarHBondContact O-SG 3.19Å; K92-C96 VanDerWaalsContact O-SG 3.34Å; D93-C96 PolarHBondContact O-N 3.19Å; C96-K98 PolarHBondContact O-N 3.06Å; C96-R106 PolarHBondContact O-NH2 3.4Å
97E76Confident77.4Confident69 Ų6948.3 Ų48.332%0.32224%0.237SC..  trans-55.6131.5171-90.3177.7-114.500111.5R34 D93 N99 R106R34-E97 IonicContact CZ-OE1 3.54Å; R34-E97 IonicContact CZ-OE2 2.83Å; R34-E97 IonicContact NH1-OE1 2.66Å; R34-E97 PolarHBondContact NH1-OE1 3.09Å; R34-E97 IonicContact NH1-OE2 2.77Å; R34-E97 PolarHBondContact NH1-OE2 2.74Å; R34-E97 IonicContact NH2-OE1 3.97Å; R34-E97 PolarHBondContact NH2-OE1 2.85Å; R34-E97 IonicContact NH2-OE2 3.7Å; R34-E97 PolarHBondContact NH2-OE2 2.88Å; D93-E97 WeakPolarHBondContact O-CB 3.49Å; D93-E97 WeakPolarHBondContact O-CG 3.32Å; D93-E97 PolarHBondContact O-N 3.33Å; E97-N99 VanDerWaalsContact C-N 3.28Å; E97-N99 PolarHBondContact O-N 3.07Å; E97-R106 PolarHBondContact O-NE 2.9Å
98K69.1Low78.6Confident156 Ų15648.1 Ų48.168%0.67824%0.236SC*.SBendtrans-80.1-4.3-176.8-65-172.3177.9-174.80114.2C96 W100 Q103C96-K98 PolarHBondContact O-N 3.06Å; K98-W100 PolarHBondContact O-N 3.1Å; K98-W100 VanDerWaalsContact O-N 3.08Å; K98-Q103 PolarHBondContact O-NE2 3.19Å
99N78.8Confident79.7Confident135 Ų13548 Ų4872%0.72224%0.235SC*.  trans-80.921.4-169.4-66.6-18.4000115.2E97E97-N99 VanDerWaalsContact C-N 3.28Å; E97-N99 PolarHBondContact O-N 3.07Å
100W83.6Confident80.7Confident9 Ų942.4 Ų42.43%0.03421%0.214CC..  trans-73129.4175.4-70.366.8000110.3F30 L33 R34 W94 K98 D102 Q103 I105 R106 F109F30-W100 HydrophobicContact CD1-CH2 4.27Å; F30-W100 HydrophobicContact CD1-CZ2 4.49Å; L33-W100 HydrophobicContact CB-CH2 4.43Å; L33-W100 HydrophobicContact CB-CZ3 4.1Å; R34-W100 HydrophobicContact CG-CD2 3.87Å; R34-W100 HydrophobicContact CG-CE3 4.27Å; R34-W100 HydrophobicContact CG-CG 4.25Å; R34-W100 HydrophobicContact CG-CH2 4.48Å; R34-W100 HydrophobicContact CG-CZ2 4.11Å; W94-W100 PolarHBondContact O-NE1 2.8Å; K98-W100 PolarHBondContact O-N 3.1Å; K98-W100 VanDerWaalsContact O-N 3.08Å; W100-D102 PolarHBondContact O-N 3.27Å; W100-Q103 PolarHBondContact O-NE2 3.32Å; W100-Q103 VanDerWaalsContact O-NE2 3.07Å; W100-I105 HydrophobicContact CE3-CB 4.3Å; W100-I105 HydrophobicContact CE3-CG2 4.13Å; W100-I105 HydrophobicContact CZ3-CB 4.3Å; W100-I105 HydrophobicContact CZ3-CG2 3.64Å; W100-R106 HydrophobicContact CB-CB 4.19Å; W100-R106 HydrophobicContact CD2-CB 3.83Å; W100-R106 HydrophobicContact CD2-CG 4.15Å; W100-R106 HydrophobicContact CE3-CB 4.18Å; W100-R106 HydrophobicContact CG-CB 3.84Å; W100-R106 HydrophobicContact CG-CG 4.02Å; W100-F109 AromaticContact CH2-CD2 3.59Å; W100-F109 HydrophobicContact CH2-CD2 3.59Å; W100-F109 AromaticContact CH2-CE2 3.86Å; W100-F109 HydrophobicContact CH2-CE2 3.86Å; W100-F109 HydrophobicContact CH2-CG 4.3Å; W100-F109 HydrophobicContact CZ2-CD2 4.48Å; W100-F109 AromaticContact CZ3-CD2 3.94Å; W100-F109 HydrophobicContact CZ3-CD2 3.94Å; W100-F109 HydrophobicContact CZ3-CE2 4.02Å
101S82.1Confident81.5Confident67 Ų6739.7 Ų39.747%0.46920%0.201SC..SBendtrans-62.3-31.8176.7610000112.5R34 Q35 C36R34-S101 VanDerWaalsContact O-CB 3.31Å; R34-S101 WeakPolarHBondContact O-CB 3.43Å; R34-S101 PolarHBondContact O-N 3.44Å; R34-S101 PolarHBondContact O-OG 3.09Å; Q35-S101 VanDerWaalsContact C-OG 3.23Å; Q35-S101 PolarHBondContact O-OG 3.02Å; C36-S101 PolarHBondContact N-OG 2.96Å; C36-S101 PolarHBondContact O-OG 2.72Å
102D83.3Confident82.2Confident10 Ų1039.6 Ų39.65%0.05320%0.201CC..  trans-123.4109.2172-167.9-13.1000110.5R37 F38 W100 N104 I105R37-D102 HydrophobicContact CB-CB 4.26Å; R37-D102 HydrophobicContact CG-CB 4.2Å; F38-D102 PolarHBondContact N-OD2 3.07Å; W100-D102 PolarHBondContact O-N 3.27Å; D102-N104 PolarHBondContact O-N 2.97Å; D102-N104 VanDerWaalsContact OD1-CB 3.29Å; D102-N104 WeakPolarHBondContact OD1-CB 3.38Å; D102-N104 PolarHBondContact OD1-N 3Å; D102-N104 PolarHBondContact OD1-ND2 3.18Å; D102-I105 HydrophobicContact CB-CD1 4Å; D102-I105 HydrophobicContact CB-CG1 4.01Å; D102-I105 PolarHBondContact O-N 3.41Å
103Q85.5Confident82.7Confident64 Ų6436.6 Ų36.630%0.29919%0.188SC..Hα-helixtrans-66.9-20179-63-65.8-43.300112.2K98 W100 R106 S107 L147K98-Q103 PolarHBondContact O-NE2 3.19Å; W100-Q103 PolarHBondContact O-NE2 3.32Å; W100-Q103 VanDerWaalsContact O-NE2 3.07Å; Q103-R106 WeakPolarHBondContact O-CB 3.41Å; Q103-R106 PolarHBondContact O-N 3.06Å; Q103-S107 PolarHBondContact O-N 3.16Å; Q103-L147 HydrophobicContact CB-CD2 4.25Å
104N83.8Confident83Confident61 Ų6132 Ų3233%0.32616%0.164SC..Hα-helixtrans-71.5-37178.1-55.4-63.7000111.6D102 R106 S107 F152D102-N104 PolarHBondContact O-N 2.97Å; D102-N104 VanDerWaalsContact OD1-CB 3.29Å; D102-N104 WeakPolarHBondContact OD1-CB 3.38Å; D102-N104 PolarHBondContact OD1-N 3Å; D102-N104 PolarHBondContact OD1-ND2 3.18Å; N104-R106 VanDerWaalsContact C-N 3.32Å; N104-R106 PolarHBondContact O-N 3.23Å; N104-S107 WeakPolarHBondContact O-CB 3.38Å; N104-S107 PolarHBondContact O-N 3.39Å; N104-S107 PolarHBondContact O-OG 3.21Å; N104-F152 HydrophobicContact CB-CB 4.29Å; N104-F152 HydrophobicContact CB-CD1 4.17Å; N104-F152 HydrophobicContact CB-CD2 3.28Å; N104-F152 HydrophobicContact CB-CE1 4.31Å; N104-F152 HydrophobicContact CB-CE2 3.43Å; N104-F152 VanDerWaalsContact CB-CE2 3.43Å; N104-F152 HydrophobicContact CB-CG 3.65Å; N104-F152 HydrophobicContact CB-CZ 3.95Å
105I86.5Confident83.3Confident0 Ų030.3 Ų30.30%016%0.158CC..Hα-helixtrans-61.7-46.1173.2-58.1180000109.4C36 F38 L50 V54 W100 D102 S107 V108 F109 F152C36-I105 WeakPolarHBondContact O-CD1 3.36Å; F38-I105 HydrophobicContact CD2-CD1 3.65Å; F38-I105 HydrophobicContact CD2-CG1 3.58Å; F38-I105 HydrophobicContact CE2-CD1 3.87Å; F38-I105 HydrophobicContact CE2-CG1 3.78Å; L50-I105 HydrophobicContact CD2-CD1 3.98Å; V54-I105 HydrophobicContact CG2-CG2 4.3Å; W100-I105 HydrophobicContact CE3-CB 4.3Å; W100-I105 HydrophobicContact CE3-CG2 4.13Å; W100-I105 HydrophobicContact CZ3-CB 4.3Å; W100-I105 HydrophobicContact CZ3-CG2 3.64Å; D102-I105 HydrophobicContact CB-CD1 4Å; D102-I105 HydrophobicContact CB-CG1 4.01Å; D102-I105 PolarHBondContact O-N 3.41Å; I105-S107 PolarHBondContact O-N 3.31Å; I105-V108 PolarHBondContact O-N 3.27Å; I105-F109 HydrophobicContact CG2-CD2 4.08Å; I105-F109 HydrophobicContact CG2-CE2 3.67Å; I105-F109 WeakPolarHBondContact O-CD2 3.41Å; I105-F109 PolarHBondContact O-N 3.26Å; I105-F152 HydrophobicContact CG1-CZ 4.23Å
106R88.9Confident83.3Confident6 Ų630.4 Ų30.42%0.02316%0.158CC..Hα-helixtrans-55.4-38.4176.3-171.5-176.3176.3-123.4-8.7112.2I95 C96 E97 W100 Q103 N104 V108 F109 L110 E143I95-R106 PolarHBondContact O-NE 3.13Å; C96-R106 PolarHBondContact O-NH2 3.4Å; E97-R106 PolarHBondContact O-NE 2.9Å; W100-R106 HydrophobicContact CB-CB 4.19Å; W100-R106 HydrophobicContact CD2-CB 3.83Å; W100-R106 HydrophobicContact CD2-CG 4.15Å; W100-R106 HydrophobicContact CE3-CB 4.18Å; W100-R106 HydrophobicContact CG-CB 3.84Å; W100-R106 HydrophobicContact CG-CG 4.02Å; Q103-R106 WeakPolarHBondContact O-CB 3.41Å; Q103-R106 PolarHBondContact O-N 3.06Å; N104-R106 VanDerWaalsContact C-N 3.32Å; N104-R106 PolarHBondContact O-N 3.23Å; R106-V108 VanDerWaalsContact C-N 3.25Å; R106-V108 PolarHBondContact O-N 2.93Å; R106-F109 PolarHBondContact O-N 3.32Å; R106-L110 HydrophobicContact CG-CD1 3.96Å; R106-L110 HydrophobicContact CG-CG 4.3Å; R106-L110 WeakPolarHBondContact O-CG 3.29Å; R106-L110 PolarHBondContact O-N 3.36Å; R106-E143 IonicContact CZ-OE1 3.87Å; R106-E143 VanDerWaalsContact CZ-OE1 3.24Å; R106-E143 IonicContact NH1-OE1 2.75Å; R106-E143 PolarHBondContact NH1-OE1 2.9Å; R106-E143 IonicContact NH2-OE1 3.51Å; R106-E143 PolarHBondContact NH2-OE1 3.23Å; R106-E143 IonicContact NH2-OE2 3.13Å
107S87.8Confident83.3Confident0 Ų028.8 Ų28.80%015%0.147CC..Hα-helixtrans-59.3-33.3178.382.60000113.6Q103 N104 I105 I111Q103-S107 PolarHBondContact O-N 3.16Å; N104-S107 WeakPolarHBondContact O-CB 3.38Å; N104-S107 PolarHBondContact O-N 3.39Å; N104-S107 PolarHBondContact O-OG 3.21Å; I105-S107 PolarHBondContact O-N 3.31Å; S107-I111 PolarHBondContact O-N 3.43Å
108V88.3Confident83.4Confident2 Ų226.4 Ų26.41%0.01214%0.137CC..Hα-helixtrans-73-39178.6-175.60000111L58 I105 R106 I111 V112 F152 M153 M157L58-V108 HydrophobicContact CD1-CG1 4.01Å; L58-V108 HydrophobicContact CD2-CG1 4.32Å; I105-V108 PolarHBondContact O-N 3.27Å; R106-V108 VanDerWaalsContact C-N 3.25Å; R106-V108 PolarHBondContact O-N 2.93Å; V108-I111 WeakPolarHBondContact O-CG2 3.33Å; V108-V112 WeakPolarHBondContact O-CG2 3.14Å; V108-V112 PolarHBondContact O-N 3.37Å; V108-F152 HydrophobicContact CG2-CD1 3.5Å; V108-F152 VanDerWaalsContact CG2-CD1 3.5Å; V108-F152 HydrophobicContact CG2-CE1 3.65Å; V108-M153 HydrophobicContact CG2-CG 4.24Å; V108-M157 HydrophobicContact CG1-SD 4.25Å; V108-M157 HydrophobicContact CG2-SD 3.87Å
109F88.4Confident83.7Confident0 Ų019.6 Ų19.60%011%0.108CC..Hα-helixtrans-69.1-38.2174.2-69.8-74.7000111.9F30 L33 V54 L58 M61 I95 W100 I105 R106 V112 A113F30-F109 AromaticContact CE1-CD1 3.98Å; F30-F109 HydrophobicContact CE1-CD1 3.98Å; F30-F109 AromaticContact CE1-CE1 3.88Å; F30-F109 HydrophobicContact CE1-CE1 3.88Å; F30-F109 HydrophobicContact CE1-CZ 4.39Å; F30-F109 HydrophobicContact CZ-CD1 4.45Å; F30-F109 HydrophobicContact CZ-CE1 4.24Å; L33-F109 HydrophobicContact CD1-CE2 4.2Å; L33-F109 HydrophobicContact CD1-CZ 3.75Å; V54-F109 HydrophobicContact CG1-CE2 4.46Å; V54-F109 HydrophobicContact CG1-CZ 4.38Å; L58-F109 HydrophobicContact CD2-CD1 3.91Å; L58-F109 HydrophobicContact CD2-CE1 3.87Å; L58-F109 HydrophobicContact CG-CE1 4.06Å; M61-F109 HydrophobicContact SD-CD1 3.67Å; M61-F109 HydrophobicContact SD-CE1 4.36Å; I95-F109 HydrophobicContact CG1-CB 4.43Å; I95-F109 HydrophobicContact CG2-CB 4.22Å; W100-F109 AromaticContact CH2-CD2 3.59Å; W100-F109 HydrophobicContact CH2-CD2 3.59Å; W100-F109 AromaticContact CH2-CE2 3.86Å; W100-F109 HydrophobicContact CH2-CE2 3.86Å; W100-F109 HydrophobicContact CH2-CG 4.3Å; W100-F109 HydrophobicContact CZ2-CD2 4.48Å; W100-F109 AromaticContact CZ3-CD2 3.94Å; W100-F109 HydrophobicContact CZ3-CD2 3.94Å; W100-F109 HydrophobicContact CZ3-CE2 4.02Å; I105-F109 HydrophobicContact CG2-CD2 4.08Å; I105-F109 HydrophobicContact CG2-CE2 3.67Å; I105-F109 WeakPolarHBondContact O-CD2 3.41Å; I105-F109 PolarHBondContact O-N 3.26Å; R106-F109 PolarHBondContact O-N 3.32Å; F109-V112 PolarHBondContact O-N 3.25Å; F109-A113 WeakPolarHBondContact O-CB 3.37Å; F109-A113 PolarHBondContact O-N 3.48Å
110L88.2Confident83.3Confident0 Ų013.3 Ų13.30%08%0.075CC..Hα-helixtrans-65.7-37.7176.7-73.7167.9000113.1I95 R106 V112 P114 F140 E143 A144 L147I95-L110 HydrophobicContact CG2-CD2 3.58Å; I95-L110 HydrophobicContact CG2-CG 3.89Å; R106-L110 HydrophobicContact CG-CD1 3.96Å; R106-L110 HydrophobicContact CG-CG 4.3Å; R106-L110 WeakPolarHBondContact O-CG 3.29Å; R106-L110 PolarHBondContact O-N 3.36Å; L110-V112 VanDerWaalsContact C-N 3.33Å; L110-P114 WeakPolarHBondContact O-CD 3.4Å; L110-F140 HydrophobicContact CD2-CD1 3.9Å; L110-F140 HydrophobicContact CD2-CE1 4.4Å; L110-E143 HydrophobicContact CD1-CG 4.06Å; L110-A144 HydrophobicContact CB-CB 3.73Å; L110-L147 HydrophobicContact CD1-CD1 3.87Å
111I87.6Confident82.8Confident9 Ų917.9 Ų17.95%0.0469%0.092CC..Hα-helixtrans-74.1-24.4179.5-159.168.9000112.7S107 V108 F141 A144 P149 F150 M153 M179S107-I111 PolarHBondContact O-N 3.43Å; V108-I111 WeakPolarHBondContact O-CG2 3.33Å; I111-F141 HydrophobicContact CD1-CD1 3.7Å; I111-F141 HydrophobicContact CD1-CE1 3.88Å; I111-A144 HydrophobicContact CB-CB 4.08Å; I111-A144 HydrophobicContact CD1-CB 3.89Å; I111-P149 HydrophobicContact CB-CB 4.26Å; I111-P149 HydrophobicContact CB-CG 4.24Å; I111-P149 HydrophobicContact CD1-CG 4.13Å; I111-P149 HydrophobicContact CG1-CG 4.19Å; I111-P149 HydrophobicContact CG2-CB 4.23Å; I111-F150 HydrophobicContact CD1-CZ 4.44Å; I111-F150 HydrophobicContact CG1-CZ 4.47Å; I111-M153 HydrophobicContact CG2-CE 4.38Å; I111-M179 HydrophobicContact CG1-SD 4.42Å
112V86.6Confident82.2Confident2 Ų219.6 Ų19.61%0.0129%0.093CC..Hα-helixtrans-90.3-31.3178.9176.50000112.3L58 M61 V108 F109 L110 P114 S115 T116 I175L58-V112 HydrophobicContact CD2-CB 4.17Å; L58-V112 HydrophobicContact CD2-CG1 4.25Å; L58-V112 HydrophobicContact CD2-CG2 3.98Å; M61-V112 HydrophobicContact CE-CG1 4.42Å; V108-V112 WeakPolarHBondContact O-CG2 3.14Å; V108-V112 PolarHBondContact O-N 3.37Å; F109-V112 PolarHBondContact O-N 3.25Å; L110-V112 VanDerWaalsContact C-N 3.33Å; V112-P114 VanDerWaalsContact C-CD 3.43Å; V112-P114 VanDerWaalsContact C-N 3.32Å; V112-P114 VanDerWaalsContact O-N 3.13Å; V112-S115 PolarHBondContact O-N 3.03Å; V112-S115 PolarHBondContact O-OG 3.38Å; V112-T116 PolarHBondContact O-N 3.35Å; V112-I175 HydrophobicContact CG2-CD1 4.32Å; V112-I175 HydrophobicContact CG2-CG1 4.39Å; V112-I175 HydrophobicContact CG2-CG2 3.71Å
113A84.5Confident81.5Confident0 Ų019.2 Ų19.20%09%0.091CC..Hα-helixtrans-49.8-41.1-178.300000114.9M61 I95 F109 S115 T116 F117 F140M61-A113 HydrophobicContact CE-CB 3.91Å; I95-A113 HydrophobicContact CD1-CB 4.34Å; F109-A113 WeakPolarHBondContact O-CB 3.37Å; F109-A113 PolarHBondContact O-N 3.48Å; A113-S115 VanDerWaalsContact C-N 3.34Å; A113-S115 PolarHBondContact O-N 3.43Å; A113-T116 PolarHBondContact O-N 3.04Å; A113-F117 HydrophobicContact CB-CD2 4.34Å; A113-F117 HydrophobicContact CB-CE2 4.01Å; A113-F117 WeakPolarHBondContact O-CD2 3.46Å; A113-F117 PolarHBondContact O-N 3.38Å; A113-F140 HydrophobicContact CB-CD1 4.09Å; A113-F140 HydrophobicContact CB-CE1 4.21Å
114P83.9Confident80.5Confident0 Ų021.6 Ų21.60%011%0.111CC..Hα-helixtrans-57.4-40.1174.4-27.336.2000114L110 V112 F117 S118 E137 F140 F141 F183L110-P114 WeakPolarHBondContact O-CD 3.4Å; V112-P114 VanDerWaalsContact C-CD 3.43Å; V112-P114 VanDerWaalsContact C-N 3.32Å; V112-P114 VanDerWaalsContact O-N 3.13Å; P114-F117 PolarHBondContact O-N 2.9Å; P114-S118 WeakPolarHBondContact O-CB 3.36Å; P114-S118 PolarHBondContact O-N 3.16Å; P114-E137 HydrophobicContact CB-CG 4.48Å; P114-F140 HydrophobicContact CG-CB 3.68Å; P114-F140 HydrophobicContact CG-CG 4.43Å; P114-F141 HydrophobicContact CB-CD2 4.32Å; P114-F141 HydrophobicContact CB-CE2 3.61Å; P114-F141 HydrophobicContact CB-CZ 3.96Å; P114-F141 HydrophobicContact CG-CD2 4.06Å; P114-F141 HydrophobicContact CG-CE2 3.77Å; P114-F141 HydrophobicContact CG-CZ 4.09Å; P114-F183 HydrophobicContact CB-CE1 4.19Å; P114-F183 HydrophobicContact CB-CE2 3.94Å; P114-F183 HydrophobicContact CB-CZ 3.53Å; P114-F183 WeakPolarHBondContact O-CZ 3.45Å
115S80.7Confident79.6Confident5 Ų523.2 Ų23.24%0.03511%0.113CC..Hα-helixtrans-66.2-43.5178.969.90000110.8V112 A113 F117 S118 L119 E178V112-S115 PolarHBondContact O-N 3.03Å; V112-S115 PolarHBondContact O-OG 3.38Å; A113-S115 VanDerWaalsContact C-N 3.34Å; A113-S115 PolarHBondContact O-N 3.43Å; S115-F117 PolarHBondContact O-N 3.47Å; S115-S118 PolarHBondContact O-N 2.7Å; S115-L119 WeakPolarHBondContact O-CB 3.15Å; S115-L119 VanDerWaalsContact O-CG 3.22Å; S115-L119 WeakPolarHBondContact O-CG 3.36Å; S115-L119 PolarHBondContact O-N 3.49Å; S115-E178 PolarHBondContact OG-OE2 2.85Å
116T78.2Confident78.5Confident2 Ų223.5 Ų23.51%0.01211%0.114CC..Hα-helixtrans-56.9-49.9174.6-57.50000112.2M61 V63 V112 A113 L119 L120M61-T116 WeakPolarHBondContact O-CG2 3.29Å; M61-T116 PolarHBondContact O-OG1 3.15Å; V63-T116 HydrophobicContact CG2-CG2 3.74Å; V112-T116 PolarHBondContact O-N 3.35Å; A113-T116 PolarHBondContact O-N 3.04Å; T116-L119 PolarHBondContact O-N 3.29Å; T116-L120 HydrophobicContact CG2-CD1 4.21Å; T116-L120 WeakPolarHBondContact O-CG 3.25Å; T116-L120 PolarHBondContact O-N 2.9Å
117F77.8Confident77.2Confident8 Ų824.7 Ų24.74%0.03512%0.123CC..Hα-helixtrans-68.4-35.2-179.9-67.6-57.4000112.8L91 K92 A113 P114 S115 L120 R121 Y135 F140L91-F117 HydrophobicContact CD2-CZ 4.2Å; K92-F117 HydrophobicContact CB-CZ 4.3Å; A113-F117 HydrophobicContact CB-CD2 4.34Å; A113-F117 HydrophobicContact CB-CE2 4.01Å; A113-F117 WeakPolarHBondContact O-CD2 3.46Å; A113-F117 PolarHBondContact O-N 3.38Å; P114-F117 PolarHBondContact O-N 2.9Å; S115-F117 PolarHBondContact O-N 3.47Å; F117-L120 HydrophobicContact CD1-CD1 4.22Å; F117-L120 PolarHBondContact O-N 2.97Å; F117-R121 PolarHBondContact O-N 3.23Å; F117-Y135 HydrophobicContact CE1-CD1 4.48Å; F117-Y135 HydrophobicContact CE1-CE1 4.19Å; F117-Y135 HydrophobicContact CZ-CD1 4.42Å; F117-Y135 HydrophobicContact CZ-CE1 4.29Å; F117-F140 HydrophobicContact CD2-CE2 4.44Å; F117-F140 HydrophobicContact CE2-CE1 4.38Å; F117-F140 HydrophobicContact CE2-CE2 4.19Å; F117-F140 AromaticContact CE2-CZ 3.83Å; F117-F140 HydrophobicContact CE2-CZ 3.83Å
118S78.5Confident75.9Confident18 Ų1833.1 Ų33.113%0.12616%0.159CC..Hα-helixtrans-65.7-42.2175.3-175.40000111.7P114 S115 R121 Q122P114-S118 WeakPolarHBondContact O-CB 3.36Å; P114-S118 PolarHBondContact O-N 3.16Å; S115-S118 PolarHBondContact O-N 2.7Å; S118-R121 PolarHBondContact O-N 3.07Å; S118-Q122 WeakPolarHBondContact O-CG 3.17Å; S118-Q122 PolarHBondContact O-N 3.27Å; S118-Q122 PolarHBondContact O-NE2 3.43Å
119L73.7Confident74.3Confident14 Ų1436.6 Ų36.67%0.07318%0.181CC..Hα-helixtrans-65.9-43.7174.7-68.9168000111.5V63 E67 S115 T116 R121 Q122 L182V63-L119 HydrophobicContact CB-CB 4.39Å; V63-L119 HydrophobicContact CG1-CB 4.31Å; E67-L119 WeakPolarHBondContact OE1-CD2 3.42Å; S115-L119 WeakPolarHBondContact O-CB 3.15Å; S115-L119 VanDerWaalsContact O-CG 3.22Å; S115-L119 WeakPolarHBondContact O-CG 3.36Å; S115-L119 PolarHBondContact O-N 3.49Å; T116-L119 PolarHBondContact O-N 3.29Å; L119-R121 PolarHBondContact O-N 3.41Å; L119-Q122 WeakPolarHBondContact O-CB 3.48Å; L119-Q122 PolarHBondContact O-N 3.46Å; L119-L182 HydrophobicContact CD2-CD1 4.36Å; L119-L182 HydrophobicContact CG-CD1 4.24Å
120L71.8Confident73Confident2 Ų237.4 Ų37.41%0.0119%0.185CC..Hα-helixtrans-57.6-36.6174.3-76.1169.1000112.5V63 T116 F117 Q122 V123 L126 L130V63-L120 HydrophobicContact CB-CD2 4.37Å; V63-L120 HydrophobicContact CB-CG 4.41Å; V63-L120 HydrophobicContact CG1-CD2 3.46Å; V63-L120 VanDerWaalsContact CG1-CD2 3.46Å; V63-L120 HydrophobicContact CG1-CG 3.74Å; V63-L120 HydrophobicContact CG2-CD1 4.44Å; V63-L120 HydrophobicContact CG2-CD2 3.91Å; V63-L120 HydrophobicContact CG2-CG 3.94Å; T116-L120 HydrophobicContact CG2-CD1 4.21Å; T116-L120 WeakPolarHBondContact O-CG 3.25Å; T116-L120 PolarHBondContact O-N 2.9Å; F117-L120 HydrophobicContact CD1-CD1 4.22Å; F117-L120 PolarHBondContact O-N 2.97Å; L120-Q122 VanDerWaalsContact C-N 3.3Å; L120-Q122 PolarHBondContact O-N 2.92Å; L120-V123 PolarHBondContact O-N 3.21Å; L120-L126 HydrophobicContact CD2-CD1 4.47Å; L120-L130 HydrophobicContact CB-CD1 3.98Å
121R72.1Confident71.7Confident105 Ų10544.1 Ų44.140%0.39622%0.216SC..Hα-helixtrans-68.6-29.5177.6-164-178.2-65.5138.65112.4F117 S118 L119 V123 T127 E137F117-R121 PolarHBondContact O-N 3.23Å; S118-R121 PolarHBondContact O-N 3.07Å; L119-R121 PolarHBondContact O-N 3.41Å; R121-V123 PolarHBondContact O-N 3.35Å; R121-T127 HydrophobicContact CG-CG2 4.46Å; R121-T127 PolarHBondContact O-OG1 2.61Å; R121-E137 IonicContact CZ-OE1 3.12Å; R121-E137 IonicContact NH1-OE1 3.86Å; R121-E137 PolarHBondContact NH1-OE1 3.28Å; R121-E137 IonicContact NH2-OE1 2.72Å; R121-E137 PolarHBondContact NH2-OE1 3.38Å
122Q70.8Confident70Confident104 Ų10451.1 Ų51.149%0.48625%0.254SS..Hα-helixtrans-73.3-15177.7-68.8175.259.200113S118 L119 L120 P124S118-Q122 WeakPolarHBondContact O-CG 3.17Å; S118-Q122 PolarHBondContact O-N 3.27Å; S118-Q122 PolarHBondContact O-NE2 3.43Å; L119-Q122 WeakPolarHBondContact O-CB 3.48Å; L119-Q122 PolarHBondContact O-N 3.46Å; L120-Q122 VanDerWaalsContact C-N 3.3Å; L120-Q122 PolarHBondContact O-N 2.92Å; Q122-P124 VanDerWaalsContact O-CD 3.26Å; Q122-P124 WeakPolarHBondContact O-CD 3.31Å
123V68.5Low68.5Low2 Ų252.6 Ų52.61%0.01226%0.264CS..SBendtrans-77.8109.3178.7-177.90000110.9L66 L120 R121 W125 L126 T127L66-V123 HydrophobicContact CB-CG2 4.3Å; L120-V123 PolarHBondContact O-N 3.21Å; R121-V123 PolarHBondContact O-N 3.35Å; V123-W125 VanDerWaalsContact C-N 3.26Å; V123-W125 HydrophobicContact CG1-CD2 3.94Å; V123-W125 HydrophobicContact CG1-CG 4.1Å; V123-W125 HydrophobicContact CG1-CZ2 3.82Å; V123-W125 PolarHBondContact O-N 3.22Å; V123-L126 HydrophobicContact CB-CB 4.23Å; V123-L126 HydrophobicContact CB-CD1 4.25Å; V123-L126 HydrophobicContact CG1-CB 4.31Å; V123-L126 HydrophobicContact CG1-CD1 3.95Å; V123-L126 PolarHBondContact O-N 3.2Å; V123-T127 PolarHBondContact O-N 2.9Å; V123-T127 VanDerWaalsContact O-N 3.17Å; V123-T127 PolarHBondContact O-OG1 2.85Å
124P64.4Low67Low113 Ų11358.1 Ų58.173%0.73430%0.303SS*.THydrogen-bonded Turntrans-59.9-26-164.5-26.634.9000116.4Q122 T127Q122-P124 VanDerWaalsContact O-CD 3.26Å; Q122-P124 WeakPolarHBondContact O-CD 3.31Å; P124-T127 WeakPolarHBondContact CA-OG1 3.14Å
125W64.9Low66.1Low95 Ų9559 Ų5936%0.3631%0.306SS..THydrogen-bonded Turntrans-89.8-14.5-179.354.7-94.6000113.7L66 V123L66-W125 HydrophobicContact CD2-CZ2 4.29Å; V123-W125 VanDerWaalsContact C-N 3.26Å; V123-W125 HydrophobicContact CG1-CD2 3.94Å; V123-W125 HydrophobicContact CG1-CG 4.1Å; V123-W125 HydrophobicContact CG1-CZ2 3.82Å; V123-W125 PolarHBondContact O-N 3.22Å
126L63Low65.5Low6 Ų663.2 Ų63.23%0.03133%0.328CS..THydrogen-bonded Turntrans-97.7-19.8174.8-96.3147000112.6L120 V123 K128 T129 L130L120-L126 HydrophobicContact CD2-CD1 4.47Å; V123-L126 HydrophobicContact CB-CB 4.23Å; V123-L126 HydrophobicContact CB-CD1 4.25Å; V123-L126 HydrophobicContact CG1-CB 4.31Å; V123-L126 HydrophobicContact CG1-CD1 3.95Å; V123-L126 PolarHBondContact O-N 3.2Å; L126-K128 VanDerWaalsContact C-N 3.31Å; L126-K128 PolarHBondContact O-N 3.3Å; L126-T129 PolarHBondContact O-N 3.34Å; L126-T129 VanDerWaalsContact O-N 3.17Å; L126-T129 PolarHBondContact O-OG1 3.45Å; L126-L130 HydrophobicContact CB-CD1 4.1Å; L126-L130 HydrophobicContact CD2-CD1 4.03Å; L126-L130 HydrophobicContact CD2-CG 4.41Å; L126-L130 PolarHBondContact O-N 3.12Å
127T61.1Low65.4Low32 Ų3265 Ų6520%0.19634%0.336CS..Hα-helixtrans-56.7-42.6-175.5-38.60000112.4R121 V123 P124 T129 L130 E131R121-T127 HydrophobicContact CG-CG2 4.46Å; R121-T127 PolarHBondContact O-OG1 2.61Å; V123-T127 PolarHBondContact O-N 2.9Å; V123-T127 VanDerWaalsContact O-N 3.17Å; V123-T127 PolarHBondContact O-OG1 2.85Å; P124-T127 WeakPolarHBondContact CA-OG1 3.14Å; T127-T129 VanDerWaalsContact C-N 3.32Å; T127-T129 PolarHBondContact O-N 3.47Å; T127-L130 PolarHBondContact O-N 3.47Å; T127-E131 VanDerWaalsContact O-CG 3.31Å; T127-E131 WeakPolarHBondContact O-CG 3.41Å; T127-E131 PolarHBondContact O-N 2.96Å
128K60.7Low65.4Low176 Ų17668.5 Ų68.577%0.76536%0.356SS*.Hα-helixtrans-67.6-25.5-178.7-77.4-175.6177.9177.40114.6L126L126-K128 VanDerWaalsContact C-N 3.31Å; L126-K128 PolarHBondContact O-N 3.3Å
129T56Low65.6Low75 Ų7571.4 Ų71.446%0.4637%0.372SS..Hα-helixtrans-93.3-21.1-178.232.90000112.7L126 T127L126-T129 PolarHBondContact O-N 3.34Å; L126-T129 VanDerWaalsContact O-N 3.17Å; L126-T129 PolarHBondContact O-OG1 3.45Å; T127-T129 VanDerWaalsContact C-N 3.32Å; T127-T129 PolarHBondContact O-N 3.47Å
130L61.2Low66.1Low17 Ų1771.1 Ų71.19%0.08937%0.371CS..Hα-helixtrans-93.2-18.5179.2-69.5167.7000113.6L120 L126 T127 D132 S133 Y135L120-L130 HydrophobicContact CB-CD1 3.98Å; L126-L130 HydrophobicContact CB-CD1 4.1Å; L126-L130 HydrophobicContact CD2-CD1 4.03Å; L126-L130 HydrophobicContact CD2-CG 4.41Å; L126-L130 PolarHBondContact O-N 3.12Å; T127-L130 PolarHBondContact O-N 3.47Å; L130-D132 PolarHBondContact O-N 3.13Å; L130-S133 PolarHBondContact O-N 3.02Å; L130-S133 VanDerWaalsContact O-N 3.12Å; L130-S133 PolarHBondContact O-OG 2.96Å; L130-Y135 HydrophobicContact CD2-CE2 4.47Å
131E59Low66.7Low142 Ų14271.4 Ų71.466%0.66437%0.372SS*.THydrogen-bonded Turntrans-59.1-24.5176.3-86172.4-175.700113.6T127 S133T127-E131 VanDerWaalsContact O-CG 3.31Å; T127-E131 WeakPolarHBondContact O-CG 3.41Å; T127-E131 PolarHBondContact O-N 2.96Å; E131-S133 VanDerWaalsContact C-N 3.32Å; E131-S133 PolarHBondContact O-N 3.23Å
132D53.3Low67.2Low156 Ų15670.7 Ų70.783%0.83438%0.376SS*.THydrogen-bonded Turntrans-80-9.9178.2-77.4-22.1000114L130L130-D132 PolarHBondContact O-N 3.13Å
133S54.2Low67.9Low33 Ų3368.3 Ų68.323%0.23136%0.364CS..SBendtrans-111100.3179.142.90000110.5L130 E131 Y135L130-S133 PolarHBondContact O-N 3.02Å; L130-S133 VanDerWaalsContact O-N 3.12Å; L130-S133 PolarHBondContact O-OG 2.96Å; E131-S133 VanDerWaalsContact C-N 3.32Å; E131-S133 PolarHBondContact O-N 3.23Å; S133-Y135 VanDerWaalsContact C-N 3.32Å; S133-Y135 VanDerWaalsContact CB-CE2 3.45Å; S133-Y135 VanDerWaalsContact O-CD2 3.22Å; S133-Y135 WeakPolarHBondContact O-CD2 3.32Å; S133-Y135 PolarHBondContact O-N 2.92Å; S133-Y135 WeakPolarHBondContact OG-CE2 3.49Å
134S54.4Low68.7Low115 Ų11568.2 Ų68.280%0.80436%0.364SS*.  trans-67.986.8174.262.90000110.5D136S134-D136 PolarHBondContact O-N 2.87Å
135Y63.5Low69.7Low19 Ų1963.3 Ų63.38%0.07533%0.332CS..  trans-81.2105.2165.3-60.4-81.4000107.8K92 F117 L130 S133 E137K92-Y135 HydrophobicContact CB-CE1 4.23Å; K92-Y135 HydrophobicContact CD-CD1 3.65Å; K92-Y135 HydrophobicContact CD-CE1 3.42Å; K92-Y135 VanDerWaalsContact CD-CE1 3.42Å; K92-Y135 HydrophobicContact CG-CE1 4.43Å; F117-Y135 HydrophobicContact CE1-CD1 4.48Å; F117-Y135 HydrophobicContact CE1-CE1 4.19Å; F117-Y135 HydrophobicContact CZ-CD1 4.42Å; F117-Y135 HydrophobicContact CZ-CE1 4.29Å; L130-Y135 HydrophobicContact CD2-CE2 4.47Å; S133-Y135 VanDerWaalsContact C-N 3.32Å; S133-Y135 VanDerWaalsContact CB-CE2 3.45Å; S133-Y135 VanDerWaalsContact O-CD2 3.22Å; S133-Y135 WeakPolarHBondContact O-CD2 3.32Å; S133-Y135 PolarHBondContact O-N 2.92Å; S133-Y135 WeakPolarHBondContact OG-CE2 3.49Å; Y135-E137 PolarHBondContact O-N 3.25Å
136D69.4Low70.6Confident93 Ų9362.5 Ų62.550%0.49734%0.341SS..  trans-78.199.8174.4-163.8-11.8000108.7S134 D138 V139 F140S134-D136 PolarHBondContact O-N 2.87Å; D136-D138 PolarHBondContact O-N 3.11Å; D136-D138 PolarHBondContact OD1-N 2.88Å; D136-V139 HydrophobicContact CB-CB 4.32Å; D136-V139 HydrophobicContact CB-CG2 3.73Å; D136-V139 WeakPolarHBondContact O-CB 3.47Å; D136-V139 PolarHBondContact O-N 3.47Å; D136-F140 WeakPolarHBondContact O-CD2 3.34Å
137E75.3Confident71.6Confident40 Ų4064.1 Ų64.119%0.18735%0.349CS..Hα-helixtrans-59.3-32.7-177.6-72.7160.9-155.300111.6P114 R121 Y135 V139 F140 F141 F183P114-E137 HydrophobicContact CB-CG 4.48Å; R121-E137 IonicContact CZ-OE1 3.12Å; R121-E137 IonicContact NH1-OE1 3.86Å; R121-E137 PolarHBondContact NH1-OE1 3.28Å; R121-E137 IonicContact NH2-OE1 2.72Å; R121-E137 PolarHBondContact NH2-OE1 3.38Å; Y135-E137 PolarHBondContact O-N 3.25Å; E137-V139 VanDerWaalsContact C-N 3.32Å; E137-V139 PolarHBondContact O-N 2.99Å; E137-F140 PolarHBondContact O-N 2.75Å; E137-F141 VanDerWaalsContact O-CD2 3.28Å; E137-F141 WeakPolarHBondContact O-CD2 3.21Å; E137-F141 PolarHBondContact O-N 3.22Å; E137-F141 VanDerWaalsContact O-N 3.17Å; E137-F183 WeakPolarHBondContact OE2-CE1 3.42Å
138D78.5Confident72.8Confident82 Ų8266.2 Ų66.244%0.43936%0.355SS..Hα-helixtrans-65.3-34.5178.5-76.5-39.9000112.1D136 F140 F141 D142 K186D136-D138 PolarHBondContact O-N 3.11Å; D136-D138 PolarHBondContact OD1-N 2.88Å; D138-F140 VanDerWaalsContact C-N 3.33Å; D138-F140 PolarHBondContact O-N 3.13Å; D138-F141 PolarHBondContact O-N 3.03Å; D138-D142 WeakPolarHBondContact O-CB 3.35Å; D138-D142 VanDerWaalsContact O-CG 3.28Å; D138-D142 PolarHBondContact O-N 2.95Å; D138-K186 IonicContact OD1-NZ 3.53Å
139V82.9Confident74.1Confident78 Ų7857.8 Ų57.847%0.47332%0.319SS..Hα-helixtrans-63.6-40.6177.2176.10000111.2D136 E137 E143D136-V139 HydrophobicContact CB-CB 4.32Å; D136-V139 HydrophobicContact CB-CG2 3.73Å; D136-V139 WeakPolarHBondContact O-CB 3.47Å; D136-V139 PolarHBondContact O-N 3.47Å; E137-V139 VanDerWaalsContact C-N 3.32Å; E137-V139 PolarHBondContact O-N 2.99Å; V139-E143 WeakPolarHBondContact O-CB 3.5Å; V139-E143 PolarHBondContact O-N 3.09Å
140F83.3Confident75.6Confident9 Ų954.4 Ų54.44%0.03930%0.298CS..Hα-helixtrans-64.7-44.1175.2-75.6-82.5000111.2K92 L110 A113 P114 F117 D136 E137 D138 A144K92-F140 HydrophobicContact CD-CZ 4.25Å; K92-F140 HydrophobicContact CG-CZ 4.15Å; L110-F140 HydrophobicContact CD2-CD1 3.9Å; L110-F140 HydrophobicContact CD2-CE1 4.4Å; A113-F140 HydrophobicContact CB-CD1 4.09Å; A113-F140 HydrophobicContact CB-CE1 4.21Å; P114-F140 HydrophobicContact CG-CB 3.68Å; P114-F140 HydrophobicContact CG-CG 4.43Å; F117-F140 HydrophobicContact CD2-CE2 4.44Å; F117-F140 HydrophobicContact CE2-CE1 4.38Å; F117-F140 HydrophobicContact CE2-CE2 4.19Å; F117-F140 AromaticContact CE2-CZ 3.83Å; F117-F140 HydrophobicContact CE2-CZ 3.83Å; D136-F140 WeakPolarHBondContact O-CD2 3.34Å; E137-F140 PolarHBondContact O-N 2.75Å; D138-F140 VanDerWaalsContact C-N 3.33Å; D138-F140 PolarHBondContact O-N 3.13Å; F140-A144 WeakPolarHBondContact O-CB 3.22Å; F140-A144 PolarHBondContact O-N 3.09Å
141F83.4Confident76.8Confident8 Ų856.8 Ų56.84%0.03531%0.308CS..Hα-helixtrans-61.7-48.6176.4-83.5-70.2000111.9I111 P114 E137 D138 E143 A144 L145 F183 K186I111-F141 HydrophobicContact CD1-CD1 3.7Å; I111-F141 HydrophobicContact CD1-CE1 3.88Å; P114-F141 HydrophobicContact CB-CD2 4.32Å; P114-F141 HydrophobicContact CB-CE2 3.61Å; P114-F141 HydrophobicContact CB-CZ 3.96Å; P114-F141 HydrophobicContact CG-CD2 4.06Å; P114-F141 HydrophobicContact CG-CE2 3.77Å; P114-F141 HydrophobicContact CG-CZ 4.09Å; E137-F141 VanDerWaalsContact O-CD2 3.28Å; E137-F141 WeakPolarHBondContact O-CD2 3.21Å; E137-F141 PolarHBondContact O-N 3.22Å; E137-F141 VanDerWaalsContact O-N 3.17Å; D138-F141 PolarHBondContact O-N 3.03Å; F141-E143 PolarHBondContact O-N 3.01Å; F141-A144 PolarHBondContact O-N 3.03Å; F141-L145 VanDerWaalsContact O-CB 3.26Å; F141-L145 WeakPolarHBondContact O-CB 3.25Å; F141-L145 WeakPolarHBondContact O-CG 3.44Å; F141-L145 PolarHBondContact O-N 3.33Å; F141-F183 HydrophobicContact CE2-CB 4.48Å; F141-F183 AromaticContact CE2-CD1 3.67Å; F141-F183 HydrophobicContact CE2-CD1 3.67Å; F141-F183 HydrophobicContact CE2-CD2 4.13Å; F141-F183 AromaticContact CE2-CE1 3.84Å; F141-F183 HydrophobicContact CE2-CE1 3.84Å; F141-F183 HydrophobicContact CE2-CE2 4.28Å; F141-F183 AromaticContact CE2-CG 3.82Å; F141-F183 HydrophobicContact CE2-CG 3.82Å; F141-F183 HydrophobicContact CE2-CZ 4.15Å; F141-F183 HydrophobicContact CZ-CB 4.11Å; F141-F183 AromaticContact CZ-CD1 3.98Å; F141-F183 HydrophobicContact CZ-CD1 3.98Å; F141-F183 AromaticContact CZ-CD2 3.62Å; F141-F183 HydrophobicContact CZ-CD2 3.62Å; F141-F183 HydrophobicContact CZ-CE1 4.32Å; F141-F183 AromaticContact CZ-CE2 3.98Å; F141-F183 HydrophobicContact CZ-CE2 3.98Å; F141-F183 AromaticContact CZ-CG 3.61Å; F141-F183 HydrophobicContact CZ-CG 3.61Å; F141-F183 HydrophobicContact CZ-CZ 4.32Å; F141-K186 HydrophobicContact CB-CD 4.48Å; F141-K186 HydrophobicContact CD1-CG 4.27Å; F141-K186 HydrophobicContact CD2-CG 4.46Å; F141-K186 HydrophobicContact CG-CD 4.43Å; F141-K186 HydrophobicContact CG-CG 4.23Å
142D83.2Confident78.1Confident90 Ų9050.3 Ų50.348%0.48128%0.278SS..Hα-helixtrans-67.5-38.9-176.1-67.2-12.3000111.4D138 S146 K186D138-D142 WeakPolarHBondContact O-CB 3.35Å; D138-D142 VanDerWaalsContact O-CG 3.28Å; D138-D142 PolarHBondContact O-N 2.95Å; D142-S146 PolarHBondContact O-N 3.18Å; D142-S146 VanDerWaalsContact O-N 3.1Å; D142-K186 IonicContact OD1-NZ 3.09Å; D142-K186 PolarHBondContact OD1-NZ 2.92Å; D142-K186 VanDerWaalsContact OD1-NZ 3.12Å
143E85.1Confident79.7Confident53 Ų5343.3 Ų43.325%0.24824%0.24CC..Hα-helixtrans-66.4-44.4172.8-169.8173-172.700111.3R106 L110 V139 F141 S146R106-E143 IonicContact CZ-OE1 3.87Å; R106-E143 VanDerWaalsContact CZ-OE1 3.24Å; R106-E143 IonicContact NH1-OE1 2.75Å; R106-E143 PolarHBondContact NH1-OE1 2.9Å; R106-E143 IonicContact NH2-OE1 3.51Å; R106-E143 PolarHBondContact NH2-OE1 3.23Å; R106-E143 IonicContact NH2-OE2 3.13Å; L110-E143 HydrophobicContact CD1-CG 4.06Å; V139-E143 WeakPolarHBondContact O-CB 3.5Å; V139-E143 PolarHBondContact O-N 3.09Å; F141-E143 PolarHBondContact O-N 3.01Å; E143-S146 PolarHBondContact O-N 3.17Å; E143-S146 PolarHBondContact O-OG 3.43Å
144A86Confident81.2Confident0 Ų044.1 Ų44.10%024%0.238CC..Hα-helixtrans-59.1-53.117600000110.9L110 I111 F140 F141 S146 L147 K148 P149L110-A144 HydrophobicContact CB-CB 3.73Å; I111-A144 HydrophobicContact CB-CB 4.08Å; I111-A144 HydrophobicContact CD1-CB 3.89Å; F140-A144 WeakPolarHBondContact O-CB 3.22Å; F140-A144 PolarHBondContact O-N 3.09Å; F141-A144 PolarHBondContact O-N 3.03Å; A144-S146 VanDerWaalsContact C-N 3.26Å; A144-S146 PolarHBondContact O-N 3.42Å; A144-L147 WeakPolarHBondContact O-CA 3.3Å; A144-L147 WeakPolarHBondContact O-CB 3.45Å; A144-L147 PolarHBondContact O-N 3.35Å; A144-K148 PolarHBondContact O-N 3.34Å; A144-P149 WeakPolarHBondContact O-CD 3.43Å
145L84.9Confident82.5Confident11 Ų1140.8 Ų40.86%0.05822%0.215CC..Hα-helixtrans-59.1-36.1-177.1-70.4170.3000111.8F141 L147 K148 F150 L190 H217F141-L145 VanDerWaalsContact O-CB 3.26Å; F141-L145 WeakPolarHBondContact O-CB 3.25Å; F141-L145 WeakPolarHBondContact O-CG 3.44Å; F141-L145 PolarHBondContact O-N 3.33Å; L145-L147 PolarHBondContact O-N 2.62Å; L145-L147 VanDerWaalsContact O-N 3.14Å; L145-K148 PolarHBondContact O-N 2.93Å; L145-F150 HydrophobicContact CD2-CE2 3.9Å; L145-L190 HydrophobicContact CD1-CD2 3.87Å; L145-L190 HydrophobicContact CD2-CD2 4.43Å; L145-H217 HydrophobicContact CD2-CB 4.14Å; L145-H217 PolarHBondContact O-CE1 2.7Å
146S84.8Confident83.3Confident78 Ų7841.2 Ų41.255%0.54522%0.217SC..Hα-helixtrans-57.4-27.8173.3820000113.5D142 E143 A144D142-S146 PolarHBondContact O-N 3.18Å; D142-S146 VanDerWaalsContact O-N 3.1Å; E143-S146 PolarHBondContact O-N 3.17Å; E143-S146 PolarHBondContact O-OG 3.43Å; A144-S146 VanDerWaalsContact C-N 3.26Å; A144-S146 PolarHBondContact O-N 3.42Å
147L83.8Confident84Confident40 Ų4036.8 Ų36.821%0.20919%0.194CC..THydrogen-bonded Turntrans-94.84.6178.5-57.9174.2000113.7Q103 L110 A144 L145Q103-L147 HydrophobicContact CB-CD2 4.25Å; L110-L147 HydrophobicContact CD1-CD1 3.87Å; A144-L147 WeakPolarHBondContact O-CA 3.3Å; A144-L147 WeakPolarHBondContact O-CB 3.45Å; A144-L147 PolarHBondContact O-N 3.35Å; L145-L147 PolarHBondContact O-N 2.62Å; L145-L147 VanDerWaalsContact O-N 3.14Å
148K86.1Confident84.3Confident75 Ų7536 Ų3633%0.32619%0.19SC..  trans55.658.5173.7-56.3179.7176.4-177.20114.9A144 L145 F150 H151 F152 T212A144-K148 PolarHBondContact O-N 3.34Å; L145-K148 PolarHBondContact O-N 2.93Å; K148-F150 PolarHBondContact O-N 3.36Å; K148-H151 HydrophobicContact CB-CB 4.26Å; K148-H151 PolarHBondContact O-N 3.43Å; K148-F152 PolarHBondContact O-N 3.44Å; K148-T212 PolarHBondContact NZ-O 2.86Å
149P87.7Confident84.3Confident0 Ų034.9 Ų34.90%019%0.187CC..Hα-helixtrans-66-38.4-170.725.7-34.4000112.9I111 A144 H151 F152 M153I111-P149 HydrophobicContact CB-CB 4.26Å; I111-P149 HydrophobicContact CB-CG 4.24Å; I111-P149 HydrophobicContact CD1-CG 4.13Å; I111-P149 HydrophobicContact CG1-CG 4.19Å; I111-P149 HydrophobicContact CG2-CB 4.23Å; A144-P149 WeakPolarHBondContact O-CD 3.43Å; P149-H151 VanDerWaalsContact C-N 3.32Å; P149-H151 PolarHBondContact O-N 2.98Å; P149-F152 PolarHBondContact O-N 2.93Å; P149-M153 HydrophobicContact CB-CE 4.31Å; P149-M153 WeakPolarHBondContact O-CG 3.49Å; P149-M153 PolarHBondContact O-N 3.04Å
150F87.8Confident83.7Confident4 Ų431.2 Ų31.22%0.01817%0.166CC..Hα-helixtrans-61.4-39.6177.8-58.5-55.5000112.8I111 L145 K148 M153 R154 M179 E220 L221 T224I111-F150 HydrophobicContact CD1-CZ 4.44Å; I111-F150 HydrophobicContact CG1-CZ 4.47Å; L145-F150 HydrophobicContact CD2-CE2 3.9Å; K148-F150 PolarHBondContact O-N 3.36Å; F150-M153 HydrophobicContact CD1-CE 3.59Å; F150-M153 HydrophobicContact CE1-CE 4Å; F150-M153 HydrophobicContact CG-CE 4.5Å; F150-R154 VanDerWaalsContact O-CB 3.27Å; F150-R154 WeakPolarHBondContact O-CB 3.44Å; F150-R154 PolarHBondContact O-N 2.93Å; F150-M179 HydrophobicContact CE1-CE 3.66Å; F150-M179 HydrophobicContact CE1-SD 3.54Å; F150-M179 VanDerWaalsContact CE1-SD 3.54Å; F150-M179 HydrophobicContact CZ-CE 4.07Å; F150-M179 HydrophobicContact CZ-SD 3.6Å; F150-M179 VanDerWaalsContact CZ-SD 3.6Å; F150-E220 HydrophobicContact CB-CB 3.8Å; F150-L221 HydrophobicContact CD1-CD1 4.11Å; F150-L221 HydrophobicContact CD2-CB 4.47Å; F150-L221 HydrophobicContact CE1-CD1 3.85Å; F150-L221 HydrophobicContact CG-CB 4.47Å; F150-L221 HydrophobicContact CZ-CD1 4.33Å; F150-T224 PolarHBondContact O-OG1 2.97Å; F150-T224 VanDerWaalsContact O-OG1 3.12Å
151H85.8Confident83.3Confident67 Ų6732 Ų3231%0.3118%0.176SC..Hα-helixtrans-65.8-43.8176.3179.2-87.8000110.7K148 P149 R154 S155 E220K148-H151 HydrophobicContact CB-CB 4.26Å; K148-H151 PolarHBondContact O-N 3.43Å; P149-H151 VanDerWaalsContact C-N 3.32Å; P149-H151 PolarHBondContact O-N 2.98Å; H151-R154 PolarHBondContact O-N 3.25Å; H151-S155 WeakPolarHBondContact O-CB 3.32Å; H151-S155 PolarHBondContact O-N 3.07Å; H151-S155 PolarHBondContact O-OG 3.45Å; H151-E220 IonicContact CD2-OE2 3.17Å
152F86.4Confident83Confident5 Ų531.6 Ų31.62%0.02217%0.174CC..Hα-helixtrans-65.1-45.8178.1174.7-106.6000112.6F38 N104 I105 V108 K148 P149 R154 S155 K156 M157F38-F152 HydrophobicContact CB-CE2 4.34Å; F38-F152 HydrophobicContact CD2-CE2 4.17Å; F38-F152 AromaticContact CD2-CZ 3.6Å; F38-F152 HydrophobicContact CD2-CZ 3.6Å; F38-F152 AromaticContact CE2-CZ 3.83Å; F38-F152 HydrophobicContact CE2-CZ 3.83Å; F38-F152 HydrophobicContact CG-CE2 4.21Å; F38-F152 HydrophobicContact CG-CZ 4.04Å; F38-F152 HydrophobicContact CZ-CZ 4.45Å; N104-F152 HydrophobicContact CB-CB 4.29Å; N104-F152 HydrophobicContact CB-CD1 4.17Å; N104-F152 HydrophobicContact CB-CD2 3.28Å; N104-F152 HydrophobicContact CB-CE1 4.31Å; N104-F152 HydrophobicContact CB-CE2 3.43Å; N104-F152 VanDerWaalsContact CB-CE2 3.43Å; N104-F152 HydrophobicContact CB-CG 3.65Å; N104-F152 HydrophobicContact CB-CZ 3.95Å; I105-F152 HydrophobicContact CG1-CZ 4.23Å; V108-F152 HydrophobicContact CG2-CD1 3.5Å; V108-F152 VanDerWaalsContact CG2-CD1 3.5Å; V108-F152 HydrophobicContact CG2-CE1 3.65Å; K148-F152 PolarHBondContact O-N 3.44Å; P149-F152 PolarHBondContact O-N 2.93Å; F152-R154 PolarHBondContact O-N 2.86Å; F152-S155 PolarHBondContact O-N 3.15Å; F152-K156 HydrophobicContact CD2-CB 3.86Å; F152-K156 HydrophobicContact CD2-CD 3.86Å; F152-K156 HydrophobicContact CD2-CG 4.12Å; F152-K156 HydrophobicContact CE2-CB 3.72Å; F152-K156 HydrophobicContact CE2-CD 3.64Å; F152-K156 HydrophobicContact CE2-CG 4.15Å; F152-K156 HydrophobicContact CZ-CB 4.44Å; F152-K156 PolarHBondContact O-N 3.49Å; F152-M157 HydrophobicContact CD1-CG 4.31Å; F152-M157 HydrophobicContact CD1-SD 4.31Å; F152-M157 HydrophobicContact CE1-CG 3.9Å; F152-M157 HydrophobicContact CE1-SD 4.02Å; F152-M157 HydrophobicContact CZ-CG 4.46Å; F152-M157 PolarHBondContact O-N 3.15Å
153M87.1Confident82.4Confident10 Ų1029.4 Ų29.45%0.04916%0.162CC..Iπ-helixtrans-55.9-42.9174.7-75.7-171.9-82.700111.3V108 I111 P149 F150 M157 L158 F172 T224V108-M153 HydrophobicContact CG2-CG 4.24Å; I111-M153 HydrophobicContact CG2-CE 4.38Å; P149-M153 HydrophobicContact CB-CE 4.31Å; P149-M153 WeakPolarHBondContact O-CG 3.49Å; P149-M153 PolarHBondContact O-N 3.04Å; F150-M153 HydrophobicContact CD1-CE 3.59Å; F150-M153 HydrophobicContact CE1-CE 4Å; F150-M153 HydrophobicContact CG-CE 4.5Å; M153-M157 HydrophobicContact CB-SD 4.5Å; M153-M157 HydrophobicContact CG-SD 3.83Å; M153-M157 WeakPolarHBondContact O-CB 3.06Å; M153-M157 PolarHBondContact O-N 3.35Å; M153-L158 WeakPolarHBondContact O-CG 3.44Å; M153-L158 PolarHBondContact O-N 3.13Å; M153-F172 HydrophobicContact CB-CE2 4.42Å; M153-F172 HydrophobicContact CB-CZ 4.11Å; M153-F172 HydrophobicContact CG-CE2 4.16Å; M153-F172 HydrophobicContact CG-CZ 4.28Å; M153-F172 HydrophobicContact SD-CE2 3.7Å; M153-F172 HydrophobicContact SD-CZ 3.81Å; M153-T224 HydrophobicContact CB-CG2 4.27Å
154R84.9Confident82Confident49 Ų4932.8 Ų32.819%0.18517%0.173CC..Iπ-helixtrans-71.1-46.3179.8-173.6171.571.393.9-1.2113.9F150 H151 F152 E220 D227F150-R154 VanDerWaalsContact O-CB 3.27Å; F150-R154 WeakPolarHBondContact O-CB 3.44Å; F150-R154 PolarHBondContact O-N 2.93Å; H151-R154 PolarHBondContact O-N 3.25Å; F152-R154 PolarHBondContact O-N 2.86Å; R154-E220 IonicContact CZ-OE1 2.58Å; R154-E220 IonicContact CZ-OE2 3.66Å; R154-E220 VanDerWaalsContact CZ-OE2 3.24Å; R154-E220 IonicContact NE-OE2 3.78Å; R154-E220 PolarHBondContact NE-OE2 3.2Å; R154-E220 IonicContact NH2-OE1 2.96Å; R154-E220 PolarHBondContact NH2-OE1 3.28Å; R154-E220 IonicContact NH2-OE2 2.75Å; R154-E220 PolarHBondContact NH2-OE2 3.01Å; R154-D227 WeakPolarHBondContact CD-OD2 3.11Å; R154-D227 HydrophobicContact CG-CB 4.46Å; R154-D227 WeakPolarHBondContact CG-OD2 3.19Å; R154-D227 IonicContact NH1-OD2 2.96Å
155S81.6Confident81.6Confident45 Ų4533.8 Ų33.832%0.31518%0.178SC..Iπ-helixtrans-86.8-29.2-171.255.90000114.4H151 F152 P159H151-S155 WeakPolarHBondContact O-CB 3.32Å; H151-S155 PolarHBondContact O-N 3.07Å; H151-S155 PolarHBondContact O-OG 3.45Å; F152-S155 PolarHBondContact O-N 3.15Å; S155-P159 WeakPolarHBondContact O-CG 3.42Å
156K81.9Confident81.5Confident29 Ų2936.1 Ų36.113%0.12619%0.189CC..Iπ-helixtrans-117.7-42-176-67.4-166169.3-162.10113.8F38 E39 D40 F152 A160F38-K156 HydrophobicContact CB-CD 4.07Å; F38-K156 HydrophobicContact CD1-CB 4.46Å; E39-K156 PolarHBondContact O-NZ 2.82Å; D40-K156 IonicContact OD1-NZ 3.77Å; D40-K156 PolarHBondContact OD1-NZ 2.81Å; F152-K156 HydrophobicContact CD2-CB 3.86Å; F152-K156 HydrophobicContact CD2-CD 3.86Å; F152-K156 HydrophobicContact CD2-CG 4.12Å; F152-K156 HydrophobicContact CE2-CB 3.72Å; F152-K156 HydrophobicContact CE2-CD 3.64Å; F152-K156 HydrophobicContact CE2-CG 4.15Å; F152-K156 HydrophobicContact CZ-CB 4.44Å; F152-K156 PolarHBondContact O-N 3.49Å; K156-A160 WeakPolarHBondContact O-CB 3.37Å; K156-A160 PolarHBondContact O-N 3.39Å
157M83.2Confident81.4Confident0 Ų037.4 Ų37.40%019%0.185CC..Iπ-helixtrans-77-43.3-177.3-64.4-178.166.700113.9L51 V54 V108 F152 M153 A160L51-M157 HydrophobicContact CD1-CB 4.27Å; L51-M157 HydrophobicContact CD1-CE 3.85Å; L51-M157 HydrophobicContact CD1-CG 4.48Å; V54-M157 HydrophobicContact CG1-CE 4.05Å; V108-M157 HydrophobicContact CG1-SD 4.25Å; V108-M157 HydrophobicContact CG2-SD 3.87Å; F152-M157 HydrophobicContact CD1-CG 4.31Å; F152-M157 HydrophobicContact CD1-SD 4.31Å; F152-M157 HydrophobicContact CE1-CG 3.9Å; F152-M157 HydrophobicContact CE1-SD 4.02Å; F152-M157 HydrophobicContact CZ-CG 4.46Å; F152-M157 PolarHBondContact O-N 3.15Å; M153-M157 HydrophobicContact CB-SD 4.5Å; M153-M157 HydrophobicContact CG-SD 3.83Å; M153-M157 WeakPolarHBondContact O-CB 3.06Å; M153-M157 PolarHBondContact O-N 3.35Å; M157-A160 PolarHBondContact O-N 3.48Å
158L82.4Confident81.4Confident23 Ų2335.7 Ų35.712%0.1218%0.175CC..THydrogen-bonded Turntrans-60.3-49178.3-69.6175.9000112.4M153 A160 G161 L162 F172 D227 F228M153-L158 WeakPolarHBondContact O-CG 3.44Å; M153-L158 PolarHBondContact O-N 3.13Å; L158-A160 VanDerWaalsContact C-N 3.32Å; L158-A160 PolarHBondContact O-N 3.02Å; L158-G161 PolarHBondContact O-N 3.04Å; L158-L162 HydrophobicContact CD2-CD2 3.66Å; L158-F172 HydrophobicContact CD2-CE1 4.49Å; L158-D227 HydrophobicContact CD1-CB 3.52Å; L158-F228 HydrophobicContact CD2-CB 4.06Å; L158-F228 HydrophobicContact CD2-CD2 3.76Å; L158-F228 HydrophobicContact CD2-CG 4.4Å
159P78.8Confident81.4Confident58 Ų5832.7 Ų32.738%0.37716%0.163SC..THydrogen-bonded Turntrans-71.9-24-179.8-15.831.9000113.3A42 S155 G161A42-P159 HydrophobicContact CB-CB 3.76Å; A42-P159 HydrophobicContact CB-CG 4.22Å; S155-P159 WeakPolarHBondContact O-CG 3.42Å; P159-G161 PolarHBondContact O-N 3.16Å
160A70.4Confident81.2Confident2 Ų238.9 Ų38.92%0.01719%0.187CC..THydrogen-bonded Turntrans-66.80.6176.700000114.5F38 N47 L51 K156 M157 L158F38-A160 HydrophobicContact CE1-CB 4.42Å; N47-A160 HydrophobicContact CB-CB 4.08Å; L51-A160 HydrophobicContact CB-CB 4.4Å; L51-A160 HydrophobicContact CD2-CB 4.2Å; K156-A160 WeakPolarHBondContact O-CB 3.37Å; K156-A160 PolarHBondContact O-N 3.39Å; M157-A160 PolarHBondContact O-N 3.48Å; L158-A160 VanDerWaalsContact C-N 3.32Å; L158-A160 PolarHBondContact O-N 3.02Å
161G74Confident81Confident24 Ų2439.1 Ų39.125%0.24719%0.187CC..THydrogen-bonded Turntrans105.928171.700000115.2L51 L158 P159 L163 R164L51-G161 VanDerWaalsContact CD2-C 3.47Å; L158-G161 PolarHBondContact O-N 3.04Å; P159-G161 PolarHBondContact O-N 3.16Å; G161-L163 PolarHBondContact O-N 3.31Å; G161-L163 VanDerWaalsContact O-N 3.14Å; G161-R164 WeakPolarHBondContact O-CB 3.44Å; G161-R164 PolarHBondContact O-N 3.36Å
162L76.6Confident81.1Confident0 Ų036 Ų360%017%0.173CC..G310 helixtrans-57.3-30.8178.7-173.274.6000112.9L51 L55 L158 R164 F168 F172 F228L51-L162 HydrophobicContact CD1-CD1 4.2Å; L51-L162 HydrophobicContact CD2-CB 4.06Å; L51-L162 HydrophobicContact CD2-CD1 4.47Å; L55-L162 HydrophobicContact CD1-CD1 3.78Å; L55-L162 HydrophobicContact CD2-CD1 3.98Å; L55-L162 HydrophobicContact CG-CD1 4.4Å; L158-L162 HydrophobicContact CD2-CD2 3.66Å; L162-R164 PolarHBondContact O-N 3Å; L162-F168 HydrophobicContact CD1-CB 4.16Å; L162-F168 WeakPolarHBondContact O-CB 3.35Å; L162-F172 HydrophobicContact CD1-CB 4.28Å; L162-F172 HydrophobicContact CD1-CD2 4.35Å; L162-F172 HydrophobicContact CD1-CG 4.45Å; L162-F172 HydrophobicContact CD2-CB 3.85Å; L162-F172 HydrophobicContact CD2-CD1 3.63Å; L162-F172 HydrophobicContact CD2-CD2 3.74Å; L162-F172 HydrophobicContact CD2-CE1 4Å; L162-F172 HydrophobicContact CD2-CE2 4.13Å; L162-F172 HydrophobicContact CD2-CG 3.47Å; L162-F172 VanDerWaalsContact CD2-CG 3.47Å; L162-F172 HydrophobicContact CD2-CZ 4.24Å; L162-F172 HydrophobicContact CG-CB 4.46Å; L162-F228 HydrophobicContact CD2-CD2 3.85Å; L162-F228 HydrophobicContact CD2-CE2 3.73Å
163L71.4Confident81.1Confident45 Ų4536.8 Ų36.824%0.23618%0.177CC..G310 helixtrans-82.16179.2-59176.9000113.9G161 V169 F228 A231 P233G161-L163 PolarHBondContact O-N 3.31Å; G161-L163 VanDerWaalsContact O-N 3.14Å; L163-V169 HydrophobicContact CD2-CG2 3.95Å; L163-F228 HydrophobicContact CD2-CD2 4.27Å; L163-F228 HydrophobicContact CD2-CE2 4.21Å; L163-A231 HydrophobicContact CD1-CB 4.08Å; L163-P233 HydrophobicContact CB-CG 3.89Å; L163-P233 HydrophobicContact CD1-CG 4.42Å
164R75.8Confident81Confident124 Ų12438.1 Ų38.147%0.46819%0.187SC..G310 helixtrans-73.2-33-178.6179.8179.6168.5-135.9-8.9113.2D10 G161 L162 M234D10-R164 IonicContact OD1-NH1 3.51Å; D10-R164 PolarHBondContact OD1-NH1 3.24Å; D10-R164 IonicContact OD2-CZ 3.24Å; D10-R164 IonicContact OD2-NH1 3.8Å; D10-R164 PolarHBondContact OD2-NH1 2.88Å; D10-R164 IonicContact OD2-NH2 2.78Å; D10-R164 PolarHBondContact OD2-NH2 3.25Å; G161-R164 WeakPolarHBondContact O-CB 3.44Å; G161-R164 PolarHBondContact O-N 3.36Å; L162-R164 PolarHBondContact O-N 3Å; R164-M234 WeakPolarHBondContact O-CE 3.27Å
165D77.9Confident81Confident20 Ų2036.4 Ų36.411%0.10718%0.182CC..  trans-130.2140.4-175.2-168.5-19.3000110.9Y14 F167 F168 V169Y14-D165 VanDerWaalsContact CE1-OD2 3.32Å; Y14-D165 WeakPolarHBondContact CE1-OD2 3.48Å; Y14-D165 VanDerWaalsContact CZ-OD2 3.23Å; Y14-D165 PolarHBondContact OH-OD2 2.92Å; D165-F167 VanDerWaalsContact C-N 3.3Å; D165-F167 PolarHBondContact O-N 3.46Å; D165-F167 PolarHBondContact OD1-N 3.18Å; D165-F167 VanDerWaalsContact OD1-N 3.1Å; D165-F168 HydrophobicContact CB-CB 4.37Å; D165-F168 HydrophobicContact CB-CD1 4.33Å; D165-F168 HydrophobicContact CB-CD2 3.51Å; D165-F168 HydrophobicContact CB-CE2 3.74Å; D165-F168 HydrophobicContact CB-CG 3.82Å; D165-F168 HydrophobicContact CB-CZ 4.25Å; D165-F168 PolarHBondContact O-N 3.44Å; D165-V169 WeakPolarHBondContact O-CG2 3.31Å; D165-V169 PolarHBondContact O-N 3.39Å
166E82.2Confident81.3Confident61 Ų6134.7 Ų34.729%0.28517%0.169SC..Hα-helixtrans-58.5-40.2176.6170.4169.7-158.600111.9F168 V169 R170 M234 L236E166-F168 PolarHBondContact O-N 3.41Å; E166-V169 PolarHBondContact O-N 2.87Å; E166-R170 HydrophobicContact CG-CG 4.34Å; E166-R170 WeakPolarHBondContact O-CB 3.29Å; E166-R170 WeakPolarHBondContact O-CG 3.31Å; E166-R170 PolarHBondContact O-N 3.18Å; E166-R170 IonicContact OE1-CZ 2.77Å; E166-R170 IonicContact OE1-NE 2.89Å; E166-R170 PolarHBondContact OE1-NE 3.34Å; E166-R170 IonicContact OE1-NH2 2.59Å; E166-R170 PolarHBondContact OE1-NH2 3.06Å; E166-M234 HydrophobicContact CB-CE 4.35Å; E166-L236 HydrophobicContact CB-CD1 4.39Å; E166-L236 HydrophobicContact CG-CD1 3.9Å; E166-L236 HydrophobicContact CG-CD2 3.91Å; E166-L236 WeakPolarHBondContact OE1-CD2 3.49Å
167F83.2Confident81.5Confident105 Ų10534.1 Ų34.146%0.46117%0.168SC..Hα-helixtrans-64.9-41.1-180-70.9-82.6000111.9F13 Y14 D165 V169 R170 R171F13-F167 HydrophobicContact CE1-CB 3.56Å; F13-F167 HydrophobicContact CE1-CG 4.38Å; F13-F167 HydrophobicContact CZ-CB 3.82Å; Y14-F167 AromaticContact CE1-CD2 3.97Å; Y14-F167 HydrophobicContact CE1-CD2 3.97Å; Y14-F167 HydrophobicContact CE1-CE2 4.45Å; D165-F167 VanDerWaalsContact C-N 3.3Å; D165-F167 PolarHBondContact O-N 3.46Å; D165-F167 PolarHBondContact OD1-N 3.18Å; D165-F167 VanDerWaalsContact OD1-N 3.1Å; F167-V169 PolarHBondContact O-N 3.34Å; F167-R170 PolarHBondContact O-N 3.4Å; F167-R171 PolarHBondContact O-N 3.45Å
168F84.8Confident81.6Confident3 Ų335 Ų351%0.01317%0.172CC..Hα-helixtrans-60.5-46.4175.5-60.9-16.5000111.6F13 P52 L55 L162 D165 E166 R171 F172F13-F168 HydrophobicContact CB-CE1 4.28Å; F13-F168 HydrophobicContact CD1-CD1 4.04Å; F13-F168 AromaticContact CD1-CE1 3.4Å; F13-F168 HydrophobicContact CD1-CE1 3.4Å; F13-F168 VanDerWaalsContact CD1-CE1 3.4Å; F13-F168 HydrophobicContact CD1-CZ 4.39Å; F13-F168 HydrophobicContact CD2-CD1 4.26Å; F13-F168 AromaticContact CD2-CE1 3.89Å; F13-F168 HydrophobicContact CD2-CE1 3.89Å; F13-F168 AromaticContact CE1-CD1 3.69Å; F13-F168 HydrophobicContact CE1-CD1 3.69Å; F13-F168 AromaticContact CE1-CE1 3.55Å; F13-F168 HydrophobicContact CE1-CE1 3.55Å; F13-F168 AromaticContact CE2-CD1 3.94Å; F13-F168 HydrophobicContact CE2-CD1 3.94Å; F13-F168 HydrophobicContact CE2-CE1 4.04Å; F13-F168 HydrophobicContact CG-CD1 4.3Å; F13-F168 AromaticContact CG-CE1 3.57Å; F13-F168 HydrophobicContact CG-CE1 3.57Å; F13-F168 AromaticContact CZ-CD1 3.65Å; F13-F168 HydrophobicContact CZ-CD1 3.65Å; F13-F168 AromaticContact CZ-CE1 3.88Å; F13-F168 HydrophobicContact CZ-CE1 3.88Å; P52-F168 HydrophobicContact CB-CE1 4.3Å; P52-F168 HydrophobicContact CB-CZ 3.84Å; P52-F168 HydrophobicContact CG-CE2 4.24Å; P52-F168 HydrophobicContact CG-CZ 3.81Å; L55-F168 HydrophobicContact CD1-CB 3.61Å; L55-F168 HydrophobicContact CD1-CD1 3.3Å; L55-F168 HydrophobicContact CD1-CD2 4.02Å; L55-F168 HydrophobicContact CD1-CE1 3.92Å; L55-F168 HydrophobicContact CD1-CG 3.36Å; L162-F168 HydrophobicContact CD1-CB 4.16Å; L162-F168 WeakPolarHBondContact O-CB 3.35Å; D165-F168 HydrophobicContact CB-CB 4.37Å; D165-F168 HydrophobicContact CB-CD1 4.33Å; D165-F168 HydrophobicContact CB-CD2 3.51Å; D165-F168 HydrophobicContact CB-CE2 3.74Å; D165-F168 HydrophobicContact CB-CG 3.82Å; D165-F168 HydrophobicContact CB-CZ 4.25Å; D165-F168 PolarHBondContact O-N 3.44Å; E166-F168 PolarHBondContact O-N 3.41Å; F168-R171 PolarHBondContact O-N 3.37Å; F168-F172 WeakPolarHBondContact O-CB 3.44Å; F168-F172 PolarHBondContact O-N 3.02Å
169V84.4Confident81.7Confident12 Ų1234.7 Ų34.77%0.07317%0.17CC..Hα-helixtrans-63-46.1179178.10000110.5L163 D165 E166 F167 R171 F172 H173 F228 L236 L238L163-V169 HydrophobicContact CD2-CG2 3.95Å; D165-V169 WeakPolarHBondContact O-CG2 3.31Å; D165-V169 PolarHBondContact O-N 3.39Å; E166-V169 PolarHBondContact O-N 2.87Å; F167-V169 PolarHBondContact O-N 3.34Å; V169-R171 PolarHBondContact O-N 3.34Å; V169-F172 PolarHBondContact O-N 2.86Å; V169-H173 VanDerWaalsContact O-CB 3.28Å; V169-H173 WeakPolarHBondContact O-CB 3.23Å; V169-H173 PolarHBondContact O-N 3.34Å; V169-F228 HydrophobicContact CB-CZ 4.47Å; V169-F228 HydrophobicContact CG1-CE2 4.17Å; V169-F228 HydrophobicContact CG1-CZ 3.71Å; V169-F228 WeakPolarHBondContact O-CZ 3.44Å; V169-L236 HydrophobicContact CB-CD1 4.27Å; V169-L236 HydrophobicContact CG1-CD1 4.02Å; V169-L238 HydrophobicContact CG1-CD1 3.71Å
170R84.1Confident82.1Confident131 Ų13132.2 Ų32.249%0.49415%0.153SC..Hα-helixtrans-63.4-42.3179.4-73.6177.4177.5-157.5-0.1112.4E166 F167 H173 S174E166-R170 HydrophobicContact CG-CG 4.34Å; E166-R170 WeakPolarHBondContact O-CB 3.29Å; E166-R170 WeakPolarHBondContact O-CG 3.31Å; E166-R170 PolarHBondContact O-N 3.18Å; E166-R170 IonicContact OE1-CZ 2.77Å; E166-R170 IonicContact OE1-NE 2.89Å; E166-R170 PolarHBondContact OE1-NE 3.34Å; E166-R170 IonicContact OE1-NH2 2.59Å; E166-R170 PolarHBondContact OE1-NH2 3.06Å; F167-R170 PolarHBondContact O-N 3.4Å; R170-H173 WeakPolarHBondContact O-CB 3.39Å; R170-H173 PolarHBondContact O-N 2.98Å; R170-S174 PolarHBondContact O-N 3.39Å
171R84Confident82.8Confident8 Ų833.8 Ų33.83%0.0316%0.163CC..Hα-helixtrans-65.9-45.7178.3-174.860177.9143.510.6112.1L58 E59 D62 F167 F168 V169 H173 S174 I175 E178L58-R171 PolarHBondContact O-NH2 3.02Å; E59-R171 VanDerWaalsContact CD-CD 3.49Å; E59-R171 HydrophobicContact CG-CG 4.47Å; E59-R171 WeakPolarHBondContact OE1-CB 3.45Å; E59-R171 WeakPolarHBondContact OE1-CD 3.44Å; E59-R171 WeakPolarHBondContact OE1-CG 3.29Å; E59-R171 IonicContact OE1-NE 3.95Å; E59-R171 IonicContact OE2-NE 2.82Å; D62-R171 VanDerWaalsContact CG-CZ 3.47Å; D62-R171 IonicContact OD1-NH1 3.99Å; D62-R171 IonicContact OD2-CZ 3.02Å; D62-R171 IonicContact OD2-NE 3.8Å; D62-R171 IonicContact OD2-NH1 2.7Å; D62-R171 PolarHBondContact OD2-NH1 3.35Å; D62-R171 IonicContact OD2-NH2 3.74Å; F167-R171 PolarHBondContact O-N 3.45Å; F168-R171 PolarHBondContact O-N 3.37Å; V169-R171 PolarHBondContact O-N 3.34Å; R171-H173 VanDerWaalsContact C-N 3.3Å; R171-H173 PolarHBondContact O-N 3.25Å; R171-S174 WeakPolarHBondContact O-CA 3.45Å; R171-S174 VanDerWaalsContact O-CB 3.29Å; R171-S174 WeakPolarHBondContact O-CB 3.32Å; R171-S174 PolarHBondContact O-N 2.75Å; R171-S174 VanDerWaalsContact O-N 3.07Å; R171-I175 HydrophobicContact CG-CD1 4.45Å; R171-I175 WeakPolarHBondContact O-CG1 3.45Å; R171-I175 PolarHBondContact O-N 2.91Å; R171-E178 IonicContact NH1-OE1 2.58Å
172F87.1Confident83.2Confident1 Ų134.9 Ų34.90%0.00416%0.163CC..Hα-helixtrans-64.4-36.9177.6-164.9-98.3000112.3M153 L158 L162 F168 V169 I175 I176 T224 F228M153-F172 HydrophobicContact CB-CE2 4.42Å; M153-F172 HydrophobicContact CB-CZ 4.11Å; M153-F172 HydrophobicContact CG-CE2 4.16Å; M153-F172 HydrophobicContact CG-CZ 4.28Å; M153-F172 HydrophobicContact SD-CE2 3.7Å; M153-F172 HydrophobicContact SD-CZ 3.81Å; L158-F172 HydrophobicContact CD2-CE1 4.49Å; L162-F172 HydrophobicContact CD1-CB 4.28Å; L162-F172 HydrophobicContact CD1-CD2 4.35Å; L162-F172 HydrophobicContact CD1-CG 4.45Å; L162-F172 HydrophobicContact CD2-CB 3.85Å; L162-F172 HydrophobicContact CD2-CD1 3.63Å; L162-F172 HydrophobicContact CD2-CD2 3.74Å; L162-F172 HydrophobicContact CD2-CE1 4Å; L162-F172 HydrophobicContact CD2-CE2 4.13Å; L162-F172 HydrophobicContact CD2-CG 3.47Å; L162-F172 VanDerWaalsContact CD2-CG 3.47Å; L162-F172 HydrophobicContact CD2-CZ 4.24Å; L162-F172 HydrophobicContact CG-CB 4.46Å; F168-F172 WeakPolarHBondContact O-CB 3.44Å; F168-F172 PolarHBondContact O-N 3.02Å; V169-F172 PolarHBondContact O-N 2.86Å; F172-I175 PolarHBondContact O-N 3.44Å; F172-I176 HydrophobicContact CD1-CD1 3.86Å; F172-I176 HydrophobicContact CD1-CG1 4.45Å; F172-I176 HydrophobicContact CE1-CD1 3.67Å; F172-I176 HydrophobicContact CE1-CG1 4.32Å; F172-I176 PolarHBondContact O-N 2.96Å; F172-T224 HydrophobicContact CE1-CG2 4.46Å; F172-T224 HydrophobicContact CZ-CG2 4.3Å; F172-F228 HydrophobicContact CB-CE2 4.05Å; F172-F228 HydrophobicContact CB-CZ 4.16Å; F172-F228 HydrophobicContact CD1-CD1 4.2Å; F172-F228 AromaticContact CD1-CD2 3.47Å; F172-F228 HydrophobicContact CD1-CD2 3.47Å; F172-F228 VanDerWaalsContact CD1-CD2 3.47Å; F172-F228 HydrophobicContact CD1-CE1 4.18Å; F172-F228 AromaticContact CD1-CE2 3.44Å; F172-F228 HydrophobicContact CD1-CE2 3.44Å; F172-F228 VanDerWaalsContact CD1-CE2 3.44Å; F172-F228 AromaticContact CD1-CG 3.86Å; F172-F228 HydrophobicContact CD1-CG 3.86Å; F172-F228 AromaticContact CD1-CZ 3.8Å; F172-F228 HydrophobicContact CD1-CZ 3.8Å; F172-F228 HydrophobicContact CE1-CB 4.33Å; F172-F228 AromaticContact CE1-CD2 3.81Å; F172-F228 HydrophobicContact CE1-CD2 3.81Å; F172-F228 HydrophobicContact CE1-CE2 4.25Å; F172-F228 AromaticContact CE1-CG 3.98Å; F172-F228 HydrophobicContact CE1-CG 3.98Å; F172-F228 HydrophobicContact CG-CD2 4.48Å; F172-F228 HydrophobicContact CG-CE2 4.12Å; F172-F228 HydrophobicContact CG-CZ 4.47Å
173H87.9Confident83.6Confident22 Ų2235.9 Ų35.910%0.10217%0.167CC..Hα-helixtrans-58-46169.2176.378.8000111.6V169 R170 R171 I175 I176 V177 F228 Y229 L238V169-H173 VanDerWaalsContact O-CB 3.28Å; V169-H173 WeakPolarHBondContact O-CB 3.23Å; V169-H173 PolarHBondContact O-N 3.34Å; R170-H173 WeakPolarHBondContact O-CB 3.39Å; R170-H173 PolarHBondContact O-N 2.98Å; R171-H173 VanDerWaalsContact C-N 3.3Å; R171-H173 PolarHBondContact O-N 3.25Å; H173-I175 VanDerWaalsContact C-N 3.33Å; H173-I175 PolarHBondContact O-N 3.22Å; H173-I176 PolarHBondContact O-N 3.49Å; H173-V177 VanDerWaalsContact O-CG2 3.32Å; H173-V177 WeakPolarHBondContact O-CG2 3.25Å; H173-V177 PolarHBondContact O-N 3.2Å; H173-F228 HydrophobicContact CB-CE1 4.12Å; H173-F228 HydrophobicContact CB-CZ 4.29Å; H173-Y229 PolarHBondContact CE1-OH 3.49Å; H173-Y229 AromaticContact ND1-CE1 3.66Å; H173-Y229 AromaticContact ND1-CZ 3.59Å; H173-Y229 PolarHBondContact ND1-OH 3.46Å; H173-L238 HydrophobicContact CB-CD1 3.96Å; H173-L238 PolarHBondContact CE1-O 2.92Å
174S84.2Confident84.2Confident39 Ų3937.4 Ų37.427%0.27318%0.18SC..Hα-helixtrans-56.4-46.8176.7-158.90000111.6R170 R171 I176 V177 E178R170-S174 PolarHBondContact O-N 3.39Å; R171-S174 WeakPolarHBondContact O-CA 3.45Å; R171-S174 VanDerWaalsContact O-CB 3.29Å; R171-S174 WeakPolarHBondContact O-CB 3.32Å; R171-S174 PolarHBondContact O-N 2.75Å; R171-S174 VanDerWaalsContact O-N 3.07Å; S174-I176 PolarHBondContact O-N 3.46Å; S174-V177 PolarHBondContact O-N 2.88Å; S174-V177 VanDerWaalsContact O-N 3.15Å; S174-E178 WeakPolarHBondContact O-CB 3.27Å; S174-E178 VanDerWaalsContact O-CG 3.25Å; S174-E178 WeakPolarHBondContact O-CG 3.38Å; S174-E178 PolarHBondContact O-N 3.39Å; S174-E178 PolarHBondContact OG-OE1 2.87Å
175I85.3Confident84.7Confident13 Ų1338.3 Ų38.37%0.06719%0.193CC..Hα-helixtrans-59.1-45.2179.4-66.9166.5000111.8L58 V112 R171 F172 H173 M179L58-I175 HydrophobicContact CB-CD1 4.45Å; L58-I175 HydrophobicContact CD1-CD1 3.9Å; V112-I175 HydrophobicContact CG2-CD1 4.32Å; V112-I175 HydrophobicContact CG2-CG1 4.39Å; V112-I175 HydrophobicContact CG2-CG2 3.71Å; R171-I175 HydrophobicContact CG-CD1 4.45Å; R171-I175 WeakPolarHBondContact O-CG1 3.45Å; R171-I175 PolarHBondContact O-N 2.91Å; F172-I175 PolarHBondContact O-N 3.44Å; H173-I175 VanDerWaalsContact C-N 3.33Å; H173-I175 PolarHBondContact O-N 3.22Å; I175-M179 WeakPolarHBondContact O-CB 3.15Å; I175-M179 PolarHBondContact O-N 2.95Å
176I87.4Confident85.2Confident8 Ų838.1 Ų38.14%0.04119%0.191CC..Hα-helixtrans-63.1-44.4177.2-67.7173.8000110.7F172 H173 S174 I180 I225 F228 F242F172-I176 HydrophobicContact CD1-CD1 3.86Å; F172-I176 HydrophobicContact CD1-CG1 4.45Å; F172-I176 HydrophobicContact CE1-CD1 3.67Å; F172-I176 HydrophobicContact CE1-CG1 4.32Å; F172-I176 PolarHBondContact O-N 2.96Å; H173-I176 PolarHBondContact O-N 3.49Å; S174-I176 PolarHBondContact O-N 3.46Å; I176-I180 HydrophobicContact CG2-CD1 3.84Å; I176-I180 VanDerWaalsContact O-CG1 3.32Å; I176-I180 WeakPolarHBondContact O-CG1 3.3Å; I176-I180 PolarHBondContact O-N 2.96Å; I176-I225 HydrophobicContact CG2-CG1 4.2Å; I176-F228 HydrophobicContact CD1-CD1 4.02Å; I176-F228 HydrophobicContact CD1-CE1 4.5Å; I176-F228 HydrophobicContact CD1-CG 4.44Å; I176-F242 HydrophobicContact CG2-CZ 4.47Å
177V87.3Confident85.4Confident18 Ų1836 Ų3611%0.10918%0.181CC..Hα-helixtrans-64.5-50.7-179.5171.90000110.6H173 S174 M179 I180 T181 L264H173-V177 VanDerWaalsContact O-CG2 3.32Å; H173-V177 WeakPolarHBondContact O-CG2 3.25Å; H173-V177 PolarHBondContact O-N 3.2Å; S174-V177 PolarHBondContact O-N 2.88Å; S174-V177 VanDerWaalsContact O-N 3.15Å; V177-M179 VanDerWaalsContact C-N 3.34Å; V177-M179 PolarHBondContact O-N 3.21Å; V177-I180 PolarHBondContact O-N 3.06Å; V177-T181 HydrophobicContact CG1-CG2 4.08Å; V177-T181 WeakPolarHBondContact O-CB 3.32Å; V177-T181 VanDerWaalsContact O-CG2 3.32Å; V177-T181 WeakPolarHBondContact O-CG2 3.44Å; V177-T181 PolarHBondContact O-N 2.9Å; V177-T181 PolarHBondContact O-OG1 3.18Å; V177-L264 HydrophobicContact CG1-CD1 4.19Å; V177-L264 HydrophobicContact CG1-CD2 4.41Å; V177-L264 HydrophobicContact CG2-CD1 4.04Å; V177-L264 HydrophobicContact CG2-CD2 4.3Å
178E83.8Confident85.5Confident18 Ų1837.4 Ų37.48%0.08419%0.188CC..Hα-helixtrans-53.8-49.7178.2-75.9167.7-143.300111.1S115 R171 S174 I180 T181 L182S115-E178 PolarHBondContact OG-OE2 2.85Å; R171-E178 IonicContact NH1-OE1 2.58Å; S174-E178 WeakPolarHBondContact O-CB 3.27Å; S174-E178 VanDerWaalsContact O-CG 3.25Å; S174-E178 WeakPolarHBondContact O-CG 3.38Å; S174-E178 PolarHBondContact O-N 3.39Å; S174-E178 PolarHBondContact OG-OE1 2.87Å; E178-I180 PolarHBondContact O-N 3.1Å; E178-T181 PolarHBondContact O-N 3.29Å; E178-T181 PolarHBondContact O-OG1 2.83Å; E178-L182 HydrophobicContact CB-CD1 4.24Å; E178-L182 VanDerWaalsContact O-CB 3.22Å; E178-L182 WeakPolarHBondContact O-CB 3.48Å; E178-L182 WeakPolarHBondContact O-CG 3.36Å; E178-L182 PolarHBondContact O-N 2.92Å
179M85.5Confident85.5Confident17 Ų1740.5 Ų40.58%0.08420%0.202CC..Hα-helixtrans-59.7-43.7179.5-179.4-175.964.400112.6I111 F150 I175 V177 F183 L221I111-M179 HydrophobicContact CG1-SD 4.42Å; F150-M179 HydrophobicContact CE1-CE 3.66Å; F150-M179 HydrophobicContact CE1-SD 3.54Å; F150-M179 VanDerWaalsContact CE1-SD 3.54Å; F150-M179 HydrophobicContact CZ-CE 4.07Å; F150-M179 HydrophobicContact CZ-SD 3.6Å; F150-M179 VanDerWaalsContact CZ-SD 3.6Å; I175-M179 WeakPolarHBondContact O-CB 3.15Å; I175-M179 PolarHBondContact O-N 2.95Å; V177-M179 VanDerWaalsContact C-N 3.34Å; V177-M179 PolarHBondContact O-N 3.21Å; M179-F183 PolarHBondContact O-N 3.12Å; M179-L221 HydrophobicContact CE-CD1 3.33Å; M179-L221 HydrophobicContact CE-CD2 4.39Å; M179-L221 HydrophobicContact CE-CG 4.5Å
180I86.9Confident85.6Confident5 Ų540.1 Ų40.13%0.02620%0.2CC..Hα-helixtrans-71.3-39.3179.8-65.9169.4000111.1I176 V177 E178 I225 F242 L264 F267I176-I180 HydrophobicContact CG2-CD1 3.84Å; I176-I180 VanDerWaalsContact O-CG1 3.32Å; I176-I180 WeakPolarHBondContact O-CG1 3.3Å; I176-I180 PolarHBondContact O-N 2.96Å; V177-I180 PolarHBondContact O-N 3.06Å; E178-I180 PolarHBondContact O-N 3.1Å; I180-I225 HydrophobicContact CD1-CD1 4.13Å; I180-F242 HydrophobicContact CD1-CE1 4.35Å; I180-L264 HydrophobicContact CB-CD2 4.15Å; I180-L264 HydrophobicContact CD1-CD2 4.23Å; I180-L264 HydrophobicContact CG2-CD2 3.97Å; I180-F267 HydrophobicContact CD1-CD1 4.13Å; I180-F267 HydrophobicContact CD1-CE1 4.12Å; I180-F267 HydrophobicContact CD1-CG 4.39Å; I180-F267 HydrophobicContact CD1-CZ 4.35Å; I180-F267 HydrophobicContact CG2-CB 3.6Å; I180-F267 HydrophobicContact CG2-CD1 4.4Å; I180-F267 HydrophobicContact CG2-CD2 4.03Å; I180-F267 HydrophobicContact CG2-CG 3.75Å
181T84.5Confident85.6Confident35 Ų3534.8 Ų34.822%0.21518%0.18CC..Hα-helixtrans-82.5-35.9-173.560.50000113.9V177 E178 T260 L264V177-T181 HydrophobicContact CG1-CG2 4.08Å; V177-T181 WeakPolarHBondContact O-CB 3.32Å; V177-T181 VanDerWaalsContact O-CG2 3.32Å; V177-T181 WeakPolarHBondContact O-CG2 3.44Å; V177-T181 PolarHBondContact O-N 2.9Å; V177-T181 PolarHBondContact O-OG1 3.18Å; E178-T181 PolarHBondContact O-N 3.29Å; E178-T181 PolarHBondContact O-OG1 2.83Å; T181-T260 HydrophobicContact CG2-CG2 4.28Å; T181-L264 HydrophobicContact CG2-CD2 4.31Å; T181-L264 HydrophobicContact CG2-CG 4.29Å
182L82.2Confident85.5Confident47 Ų4738.9 Ų38.925%0.24620%0.2CC..Hα-helixtrans-84.3-31.5-178-64.1174.2000112.1L119 E178 P184L119-L182 HydrophobicContact CD2-CD1 4.36Å; L119-L182 HydrophobicContact CG-CD1 4.24Å; E178-L182 HydrophobicContact CB-CD1 4.24Å; E178-L182 VanDerWaalsContact O-CB 3.22Å; E178-L182 WeakPolarHBondContact O-CB 3.48Å; E178-L182 WeakPolarHBondContact O-CG 3.36Å; E178-L182 PolarHBondContact O-N 2.92Å; L182-P184 VanDerWaalsContact O-CD 3.3Å; L182-P184 WeakPolarHBondContact O-CD 3.49Å
183F86.3Confident85.3Confident22 Ų2241.7 Ų41.710%0.09621%0.213CC..  trans-120.950.8-174.8-55.6-77.3000114.6P114 E137 F141 M179 L185 K186 I187P114-F183 HydrophobicContact CB-CE1 4.19Å; P114-F183 HydrophobicContact CB-CE2 3.94Å; P114-F183 HydrophobicContact CB-CZ 3.53Å; P114-F183 WeakPolarHBondContact O-CZ 3.45Å; E137-F183 WeakPolarHBondContact OE2-CE1 3.42Å; F141-F183 HydrophobicContact CE2-CB 4.48Å; F141-F183 AromaticContact CE2-CD1 3.67Å; F141-F183 HydrophobicContact CE2-CD1 3.67Å; F141-F183 HydrophobicContact CE2-CD2 4.13Å; F141-F183 AromaticContact CE2-CE1 3.84Å; F141-F183 HydrophobicContact CE2-CE1 3.84Å; F141-F183 HydrophobicContact CE2-CE2 4.28Å; F141-F183 AromaticContact CE2-CG 3.82Å; F141-F183 HydrophobicContact CE2-CG 3.82Å; F141-F183 HydrophobicContact CE2-CZ 4.15Å; F141-F183 HydrophobicContact CZ-CB 4.11Å; F141-F183 AromaticContact CZ-CD1 3.98Å; F141-F183 HydrophobicContact CZ-CD1 3.98Å; F141-F183 AromaticContact CZ-CD2 3.62Å; F141-F183 HydrophobicContact CZ-CD2 3.62Å; F141-F183 HydrophobicContact CZ-CE1 4.32Å; F141-F183 AromaticContact CZ-CE2 3.98Å; F141-F183 HydrophobicContact CZ-CE2 3.98Å; F141-F183 AromaticContact CZ-CG 3.61Å; F141-F183 HydrophobicContact CZ-CG 3.61Å; F141-F183 HydrophobicContact CZ-CZ 4.32Å; M179-F183 PolarHBondContact O-N 3.12Å; F183-L185 PolarHBondContact O-N 3.16Å; F183-K186 HydrophobicContact CB-CB 4.2Å; F183-K186 PolarHBondContact O-N 3.32Å; F183-K186 VanDerWaalsContact O-N 3.15Å; F183-I187 PolarHBondContact O-N 3.32Å
184P84.4Confident84.9Confident76 Ų7640.7 Ų40.749%0.49421%0.209SC..Hα-helixtrans-64.1-27.6-176.727.7-35.6000113.3L182 K188L182-P184 VanDerWaalsContact O-CD 3.3Å; L182-P184 WeakPolarHBondContact O-CD 3.49Å; P184-K188 WeakPolarHBondContact O-CB 3.31Å; P184-K188 PolarHBondContact O-N 3.11Å
185L86.3Confident84.5Confident144 Ų14440.9 Ų40.975%0.75421%0.207SC*.Hα-helixtrans-68.5-41.1176.2-65.7178.7000111.7F183 K188 E189F183-L185 PolarHBondContact O-N 3.16Å; L185-K188 WeakPolarHBondContact O-CB 3.43Å; L185-K188 PolarHBondContact O-N 3.44Å; L185-E189 PolarHBondContact O-N 3.23Å
186K86.4Confident84.1Confident16 Ų1646.3 Ų46.37%0.0723%0.232CC..Hα-helixtrans-66.3-41.6176.7-161.573.5-175.9176.30110.9D138 F141 D142 F183 K188 E189 L190D138-K186 IonicContact OD1-NZ 3.53Å; F141-K186 HydrophobicContact CB-CD 4.48Å; F141-K186 HydrophobicContact CD1-CG 4.27Å; F141-K186 HydrophobicContact CD2-CG 4.46Å; F141-K186 HydrophobicContact CG-CD 4.43Å; F141-K186 HydrophobicContact CG-CG 4.23Å; D142-K186 IonicContact OD1-NZ 3.09Å; D142-K186 PolarHBondContact OD1-NZ 2.92Å; D142-K186 VanDerWaalsContact OD1-NZ 3.12Å; F183-K186 HydrophobicContact CB-CB 4.2Å; F183-K186 PolarHBondContact O-N 3.32Å; F183-K186 VanDerWaalsContact O-N 3.15Å; K186-K188 VanDerWaalsContact C-N 3.29Å; K186-K188 PolarHBondContact O-N 3.14Å; K186-E189 VanDerWaalsContact CD-OE2 3.31Å; K186-E189 WeakPolarHBondContact CD-OE2 3.14Å; K186-E189 WeakPolarHBondContact CE-OE2 3.48Å; K186-E189 IonicContact NZ-OE1 3.09Å; K186-E189 IonicContact NZ-OE2 3.92Å; K186-E189 PolarHBondContact NZ-OE2 2.99Å; K186-E189 WeakPolarHBondContact O-CA 3.31Å; K186-E189 VanDerWaalsContact O-CB 3.31Å; K186-E189 WeakPolarHBondContact O-CB 3.02Å; K186-E189 PolarHBondContact O-N 2.89Å; K186-E189 VanDerWaalsContact O-N 3.1Å; K186-L190 WeakPolarHBondContact O-CG 3.32Å; K186-L190 PolarHBondContact O-N 3.02Å
187I86.9Confident83.3Confident15 Ų1546.6 Ų46.68%0.07724%0.235CC..Hα-helixtrans-60.3-40174.1-59.9-57000111.8F183 L190 R191 F218 L221 F267F183-I187 PolarHBondContact O-N 3.32Å; I187-L190 HydrophobicContact CD1-CD1 4.36Å; I187-L190 PolarHBondContact O-N 3.49Å; I187-R191 PolarHBondContact O-N 3.09Å; I187-R191 VanDerWaalsContact O-N 3.08Å; I187-F218 HydrophobicContact CG2-CD2 4.41Å; I187-F218 HydrophobicContact CG2-CE2 4.01Å; I187-L221 HydrophobicContact CD1-CD2 3.75Å; I187-F267 HydrophobicContact CG2-CD2 3.87Å; I187-F267 HydrophobicContact CG2-CE2 3.78Å
188K85.5Confident82.4Confident135 Ų13545.9 Ų45.959%0.58723%0.23SC*.Hα-helixtrans-65.2-39.5174-171.5-179.7178.5-176.90111.9P184 L185 K186 R191 M192P184-K188 WeakPolarHBondContact O-CB 3.31Å; P184-K188 PolarHBondContact O-N 3.11Å; L185-K188 WeakPolarHBondContact O-CB 3.43Å; L185-K188 PolarHBondContact O-N 3.44Å; K186-K188 VanDerWaalsContact C-N 3.29Å; K186-K188 PolarHBondContact O-N 3.14Å; K188-R191 PolarHBondContact O-N 3.38Å; K188-M192 HydrophobicContact CG-CE 4.42Å; K188-M192 WeakPolarHBondContact O-CG 3.47Å; K188-M192 PolarHBondContact O-N 3.19Å
189E86.2Confident81.5Confident68 Ų6849.6 Ų49.632%0.31826%0.258SS..Hα-helixtrans-59.7-49.6173.6-165.5-166.9164.600111.5L185 K186 R191 M192 Q193L185-E189 PolarHBondContact O-N 3.23Å; K186-E189 VanDerWaalsContact CD-OE2 3.31Å; K186-E189 WeakPolarHBondContact CD-OE2 3.14Å; K186-E189 WeakPolarHBondContact CE-OE2 3.48Å; K186-E189 IonicContact NZ-OE1 3.09Å; K186-E189 IonicContact NZ-OE2 3.92Å; K186-E189 PolarHBondContact NZ-OE2 2.99Å; K186-E189 WeakPolarHBondContact O-CA 3.31Å; K186-E189 VanDerWaalsContact O-CB 3.31Å; K186-E189 WeakPolarHBondContact O-CB 3.02Å; K186-E189 PolarHBondContact O-N 2.89Å; K186-E189 VanDerWaalsContact O-N 3.1Å; E189-R191 PolarHBondContact O-N 2.7Å; E189-M192 PolarHBondContact O-N 2.82Å; E189-Q193 WeakPolarHBondContact O-CG 3.47Å; E189-Q193 PolarHBondContact O-N 3.23Å; E189-Q193 PolarHBondContact OE1-NE2 3Å
190L85.6Confident80.3Confident5 Ų555.6 Ų55.63%0.02629%0.29CS..Hα-helixtrans-57.7-36176.6-64.6-179.6000112L145 K186 I187 F194 H217 F218L145-L190 HydrophobicContact CD1-CD2 3.87Å; L145-L190 HydrophobicContact CD2-CD2 4.43Å; K186-L190 WeakPolarHBondContact O-CG 3.32Å; K186-L190 PolarHBondContact O-N 3.02Å; I187-L190 HydrophobicContact CD1-CD1 4.36Å; I187-L190 PolarHBondContact O-N 3.49Å; L190-F194 WeakPolarHBondContact O-CB 3.23Å; L190-F194 PolarHBondContact O-N 3.06Å; L190-F194 VanDerWaalsContact O-N 3.11Å; L190-H217 HydrophobicContact CD1-CB 4.43Å; L190-H217 HydrophobicContact CD2-CB 3.98Å; L190-F218 HydrophobicContact CB-CB 4.11Å; L190-F218 HydrophobicContact CB-CD2 4.44Å
191R83.3Confident78.8Confident19 Ų1957.5 Ų57.57%0.07230%0.304CS..Hα-helixtrans-69.3-44.2174.917853.5-172.8-97.2-3.3112.3I187 K188 E189 F194 D195 F218 S271 E273 N274I187-R191 PolarHBondContact O-N 3.09Å; I187-R191 VanDerWaalsContact O-N 3.08Å; K188-R191 PolarHBondContact O-N 3.38Å; E189-R191 PolarHBondContact O-N 2.7Å; R191-F194 WeakPolarHBondContact O-CB 3.47Å; R191-F194 PolarHBondContact O-N 3.42Å; R191-D195 IonicContact CZ-OD1 3.43Å; R191-D195 IonicContact CZ-OD2 2.96Å; R191-D195 VanDerWaalsContact NE-CG 3.33Å; R191-D195 IonicContact NE-OD1 2.71Å; R191-D195 PolarHBondContact NE-OD1 3.35Å; R191-D195 IonicContact NE-OD2 3.22Å; R191-D195 PolarHBondContact NE-OD2 2.92Å; R191-D195 IonicContact NH2-OD1 2.86Å; R191-D195 IonicContact NH2-OD2 3.96Å; R191-D195 PolarHBondContact O-N 3.13Å; R191-F218 HydrophobicContact CB-CD1 4.5Å; R191-F218 HydrophobicContact CB-CD2 3.95Å; R191-F218 HydrophobicContact CB-CE2 4.03Å; R191-F218 HydrophobicContact CB-CG 4.2Å; R191-F218 HydrophobicContact CB-CZ 4.35Å; R191-F218 HydrophobicContact CG-CE1 4.49Å; R191-F218 HydrophobicContact CG-CZ 4.48Å; R191-S271 PolarHBondContact NH1-O 3.31Å; R191-E273 PolarHBondContact NH2-O 3.41Å; R191-N274 PolarHBondContact NH2-O 3.33Å
192M83.6Confident77.4Confident94 Ų9462.7 Ų62.746%0.46333%0.331SS..Hα-helixtrans-62.6-43.5177.6-69.2-176.7-58.600111.3K188 E189 F194 D195 E196K188-M192 HydrophobicContact CG-CE 4.42Å; K188-M192 WeakPolarHBondContact O-CG 3.47Å; K188-M192 PolarHBondContact O-N 3.19Å; E189-M192 PolarHBondContact O-N 2.82Å; M192-F194 VanDerWaalsContact C-N 3.29Å; M192-F194 PolarHBondContact O-N 3.33Å; M192-D195 PolarHBondContact O-N 3.31Å; M192-E196 WeakPolarHBondContact O-CG 3.45Å; M192-E196 PolarHBondContact O-N 2.73Å
193Q82.3Confident76Confident60 Ų6066.2 Ų66.228%0.2834%0.342SS..Hα-helixtrans-58.8-40.6174.5-70175.41.100111.7E189 S197E189-Q193 WeakPolarHBondContact O-CG 3.47Å; E189-Q193 PolarHBondContact O-N 3.23Å; E189-Q193 PolarHBondContact OE1-NE2 3Å; Q193-S197 WeakPolarHBondContact O-CB 3.46Å; Q193-S197 PolarHBondContact O-N 3.1Å
194F79.6Confident74.2Confident0 Ų071.3 Ų71.30%037%0.37CS..Hα-helixtrans-64-48.7174.9177.7-98.2000111.9L190 R191 M192 E196 S197 V198 F218 R219 V278 L279L190-F194 WeakPolarHBondContact O-CB 3.23Å; L190-F194 PolarHBondContact O-N 3.06Å; L190-F194 VanDerWaalsContact O-N 3.11Å; R191-F194 WeakPolarHBondContact O-CB 3.47Å; R191-F194 PolarHBondContact O-N 3.42Å; M192-F194 VanDerWaalsContact C-N 3.29Å; M192-F194 PolarHBondContact O-N 3.33Å; F194-E196 VanDerWaalsContact C-N 3.3Å; F194-E196 PolarHBondContact O-N 3.49Å; F194-S197 PolarHBondContact O-N 3.23Å; F194-S197 VanDerWaalsContact O-N 3.14Å; F194-S197 PolarHBondContact O-OG 3.34Å; F194-V198 HydrophobicContact CD1-CG2 4.26Å; F194-V198 HydrophobicContact CD2-CG2 4.45Å; F194-V198 HydrophobicContact CE1-CG2 3.8Å; F194-V198 HydrophobicContact CE2-CG2 4.01Å; F194-V198 HydrophobicContact CZ-CG2 3.67Å; F194-V198 WeakPolarHBondContact O-CG2 3.31Å; F194-V198 PolarHBondContact O-N 3.31Å; F194-F218 HydrophobicContact CB-CB 4.31Å; F194-R219 HydrophobicContact CD2-CB 4.47Å; F194-R219 HydrophobicContact CE2-CB 4.13Å; F194-V278 HydrophobicContact CZ-CG1 4.25Å; F194-L279 HydrophobicContact CE1-CB 4.07Å; F194-L279 HydrophobicContact CE1-CD1 3.94Å; F194-L279 HydrophobicContact CE1-CG 4.41Å; F194-L279 HydrophobicContact CZ-CB 4.48Å; F194-L279 HydrophobicContact CZ-CD1 4.17Å
195D75.4Confident72.6Confident44 Ų4469.5 Ų69.524%0.23537%0.365CS..Hα-helixtrans-63.8-35.2-179.5-68.8-23.7000112.1R191 M192 S199R191-D195 IonicContact CZ-OD1 3.43Å; R191-D195 IonicContact CZ-OD2 2.96Å; R191-D195 VanDerWaalsContact NE-CG 3.33Å; R191-D195 IonicContact NE-OD1 2.71Å; R191-D195 PolarHBondContact NE-OD1 3.35Å; R191-D195 IonicContact NE-OD2 3.22Å; R191-D195 PolarHBondContact NE-OD2 2.92Å; R191-D195 IonicContact NH2-OD1 2.86Å; R191-D195 IonicContact NH2-OD2 3.96Å; R191-D195 PolarHBondContact O-N 3.13Å; M192-D195 PolarHBondContact O-N 3.31Å; D195-S199 WeakPolarHBondContact O-CB 3.43Å; D195-S199 PolarHBondContact O-N 2.94Å; D195-S199 VanDerWaalsContact O-N 3.1Å; D195-S199 PolarHBondContact O-OG 3.14Å
196E76.2Confident71Confident127 Ų12763.4 Ų63.459%0.59333%0.333SS*.Hα-helixtrans-65.6-43.1171.7-74.5-178.8-179.200112M192 F194 V198 S199 N200M192-E196 WeakPolarHBondContact O-CG 3.45Å; M192-E196 PolarHBondContact O-N 2.73Å; F194-E196 VanDerWaalsContact C-N 3.3Å; F194-E196 PolarHBondContact O-N 3.49Å; E196-V198 VanDerWaalsContact C-N 3.35Å; E196-V198 PolarHBondContact O-N 3.44Å; E196-S199 PolarHBondContact O-N 2.78Å; E196-N200 WeakPolarHBondContact O-CB 3.22Å; E196-N200 PolarHBondContact O-N 2.97Å; E196-N200 VanDerWaalsContact O-N 3.12Å; E196-N200 PolarHBondContact O-ND2 2.64Å
197S71.3Confident69.2Low14 Ų1467 Ų6710%0.09835%0.352CS..Hα-helixtrans-62.4-41.117875.70000112.2Q193 F194 S199 N200 S201Q193-S197 WeakPolarHBondContact O-CB 3.46Å; Q193-S197 PolarHBondContact O-N 3.1Å; F194-S197 PolarHBondContact O-N 3.23Å; F194-S197 VanDerWaalsContact O-N 3.14Å; F194-S197 PolarHBondContact O-OG 3.34Å; S197-S199 VanDerWaalsContact C-N 3.33Å; S197-S199 PolarHBondContact O-N 3.06Å; S197-N200 PolarHBondContact O-N 3.12Å; S197-S201 PolarHBondContact O-N 2.88Å; S197-S201 PolarHBondContact O-OG 3.02Å
198V67.7Low67.3Low3 Ų370.9 Ų70.92%0.01838%0.381CS..Hα-helixtrans-69.3-31.7177.2175.80000111.6F194 E196 Y203 I206 T276F194-V198 HydrophobicContact CD1-CG2 4.26Å; F194-V198 HydrophobicContact CD2-CG2 4.45Å; F194-V198 HydrophobicContact CE1-CG2 3.8Å; F194-V198 HydrophobicContact CE2-CG2 4.01Å; F194-V198 HydrophobicContact CZ-CG2 3.67Å; F194-V198 WeakPolarHBondContact O-CG2 3.31Å; F194-V198 PolarHBondContact O-N 3.31Å; E196-V198 VanDerWaalsContact C-N 3.35Å; E196-V198 PolarHBondContact O-N 3.44Å; V198-Y203 HydrophobicContact CG1-CE1 4Å; V198-I206 HydrophobicContact CB-CD1 4.36Å; V198-I206 HydrophobicContact CG1-CD1 4.45Å; V198-I206 HydrophobicContact CG2-CD1 4.09Å; V198-T276 HydrophobicContact CG1-CG2 4.24Å
199S66.2Low65.1Low95 Ų9566.8 Ų66.866%0.66437%0.369SS*.Hα-helixtrans-73.4-28.2177.9-59.30000113.1D195 E196 S197D195-S199 WeakPolarHBondContact O-CB 3.43Å; D195-S199 PolarHBondContact O-N 2.94Å; D195-S199 VanDerWaalsContact O-N 3.1Å; D195-S199 PolarHBondContact O-OG 3.14Å; E196-S199 PolarHBondContact O-N 2.78Å; S197-S199 VanDerWaalsContact C-N 3.33Å; S197-S199 PolarHBondContact O-N 3.06Å
200N59Low63Low143 Ų14367.5 Ų67.577%0.76539%0.387SS*.Hα-helixtrans-95.1-11.6-174-72.7-24.8000114.7E196 S197E196-N200 WeakPolarHBondContact O-CB 3.22Å; E196-N200 PolarHBondContact O-N 2.97Å; E196-N200 VanDerWaalsContact O-N 3.12Å; E196-N200 PolarHBondContact O-ND2 2.64Å; S197-N200 PolarHBondContact O-N 3.12Å
201S56.4Low61Low45 Ų4573 Ų7332%0.31542%0.416SS..SBendtrans-113.5145.6-173.950.60000112.4S197 Y203 I206S197-S201 PolarHBondContact O-N 2.88Å; S197-S201 PolarHBondContact O-OG 3.02Å; S201-Y203 PolarHBondContact O-N 2.58Å; S201-I206 WeakPolarHBondContact OG-CD1 3.34Å; S201-I206 WeakPolarHBondContact OG-CG1 3.15Å
202D54.2Low59.4Low144 Ų14476.8 Ų76.877%0.7744%0.441SS*.  trans-59120.3169.1-85.2-28000108.4N204 G205D202-N204 PolarHBondContact O-N 2.87Å; D202-G205 PolarHBondContact O-N 3.01Å
203Y52.8Low58Low122 Ų12277.6 Ų77.648%0.47845%0.448SS..Hα-helixtrans-46.5-31.5-176.9-83.1-85.4000114V198 S201 L207 V278V198-Y203 HydrophobicContact CG1-CE1 4Å; S201-Y203 PolarHBondContact O-N 2.58Å; Y203-L207 WeakPolarHBondContact O-CD1 3.23Å; Y203-V278 HydrophobicContact CD1-CG2 4.36Å
204N48.8Very low56.5Low129 Ų12979 Ų7969%0.6946%0.46SS*.Hα-helixtrans-72.7-24.4178.7-69.5-20.1000114D202 S208D202-N204 PolarHBondContact O-N 2.87Å; N204-S208 WeakPolarHBondContact O-CB 3.49Å; N204-S208 PolarHBondContact O-N 2.94Å; N204-S208 PolarHBondContact O-OG 3.29Å
205G51.2Low55.6Low37 Ų3784 Ų8438%0.38148%0.484SS..Hα-helixtrans-68.8-45.417600000112.2D202 L207 S208 S209D202-G205 PolarHBondContact O-N 3.01Å; G205-L207 VanDerWaalsContact C-N 3.25Å; G205-L207 PolarHBondContact O-N 3.16Å; G205-S208 PolarHBondContact O-N 3.42Å; G205-S208 PolarHBondContact O-OG 3.03Å; G205-S209 PolarHBondContact O-N 3.35Å; G205-S209 VanDerWaalsContact O-N 3.17Å; G205-S209 PolarHBondContact O-OG 3.31Å
206I51.5Low55.6Low17 Ų1783.1 Ų83.19%0.08748%0.481CS..Hα-helixtrans-67.2-26.4-177.7-45.2174.8000112.4V198 S201 V278V198-I206 HydrophobicContact CB-CD1 4.36Å; V198-I206 HydrophobicContact CG1-CD1 4.45Å; V198-I206 HydrophobicContact CG2-CD1 4.09Å; S201-I206 WeakPolarHBondContact OG-CD1 3.34Å; S201-I206 WeakPolarHBondContact OG-CG1 3.15Å; I206-V278 HydrophobicContact CG2-CG1 4.42Å
207L50.1Low55.9Low92 Ų9278 Ų7848%0.48246%0.457SS..Hα-helixtrans-84.3-26.1178.9-82.2154.4000113.3Y203 G205 M402Y203-L207 WeakPolarHBondContact O-CD1 3.23Å; G205-L207 VanDerWaalsContact C-N 3.25Å; G205-L207 PolarHBondContact O-N 3.16Å; L207-M402 HydrophobicContact CD1-CE 3.93Å; L207-M402 HydrophobicContact CD2-CE 4.16Å; L207-M402 HydrophobicContact CG-CE 4.45Å
208S46Very low56.7Low96 Ų9677.5 Ų77.567%0.67145%0.453SS*.Hα-helixtrans-98.7-25.8-172.253.90000113.7N204 G205 A210N204-S208 WeakPolarHBondContact O-CB 3.49Å; N204-S208 PolarHBondContact O-N 2.94Å; N204-S208 PolarHBondContact O-OG 3.29Å; G205-S208 PolarHBondContact O-N 3.42Å; G205-S208 PolarHBondContact O-OG 3.03Å; S208-A210 VanDerWaalsContact C-N 3.31Å; S208-A210 PolarHBondContact O-N 3.16Å
209S39.4Very low57.5Low49 Ų4979.2 Ų79.234%0.34346%0.459SS..  trans-82.478.5169.763.10000110.4G205 D211G205-S209 PolarHBondContact O-N 3.35Å; G205-S209 VanDerWaalsContact O-N 3.17Å; G205-S209 PolarHBondContact O-OG 3.31Å; S209-D211 PolarHBondContact O-N 2.78Å
210A41.9Very low58.5Low83 Ų8375.9 Ų75.969%0.68643%0.433SS*.SBendtrans-54.4117149.700000106.4S208S208-A210 VanDerWaalsContact C-N 3.31Å; S208-A210 PolarHBondContact O-N 3.16Å
211D45Very low59.9Low119 Ų11969.2 Ų69.264%0.63640%0.397SS*.SBendtrans66.6101.1178.5-45.3-36.2000114.5S209S209-D211 PolarHBondContact O-N 2.78Å
212T47.7Very low61.5Low99 Ų9967 Ų6761%0.60738%0.382SS*.  trans175.5-21.2134.331.40000117.5K148 T214K148-T212 PolarHBondContact NZ-O 2.86Å; T212-T214 PolarHBondContact O-N 3.49Å
213D54.4Low63.1Low112 Ų11262.5 Ų62.560%0.59935%0.354SS*.  trans-78.8127.6-169.7-83.1-19.4000115.4Q215D213-Q215 PolarHBondContact O-N 3.48Å
214T51.5Low64.8Low88 Ų8856.8 Ų56.854%0.5433%0.332SS..THydrogen-bonded Turntrans-65.21.8-179.143.60000114.8T212 H217T212-T214 PolarHBondContact O-N 3.49Å; T214-H217 PolarHBondContact O-CD2 3.38Å; T214-H217 PolarHBondContact O-NE2 2.99Å
215Q61.4Low66.8Low106 Ų10650.7 Ų50.750%0.49530%0.299SS..THydrogen-bonded Turntrans-112.52.6-173.7-63.1-171.4-9.800114.3D213D213-Q215 PolarHBondContact O-N 3.48Å
216C74Confident68.6Low26 Ų2651.6 Ų51.618%0.17629%0.291CS..  trans-96.724.9-177.5-75.30000114.6F218 R219 E220C216-F218 VanDerWaalsContact C-N 3.34Å; C216-F218 PolarHBondContact O-N 2.91Å; C216-R219 HydrophobicContact CB-CB 4.41Å; C216-R219 WeakPolarHBondContact O-CB 3.44Å; C216-R219 PolarHBondContact O-N 2.87Å; C216-R219 VanDerWaalsContact O-N 3.11Å; C216-E220 PolarHBondContact O-N 2.91Å
217H83.9Confident70.2Confident20 Ų2052.9 Ų52.99%0.09330%0.298CS..Hα-helixtrans-59.2-39.7-175.4-67-56.4000113.9L145 L190 T214 R219 E220 L221L145-H217 HydrophobicContact CD2-CB 4.14Å; L145-H217 PolarHBondContact O-CE1 2.7Å; L190-H217 HydrophobicContact CD1-CB 4.43Å; L190-H217 HydrophobicContact CD2-CB 3.98Å; T214-H217 PolarHBondContact O-CD2 3.38Å; T214-H217 PolarHBondContact O-NE2 2.99Å; H217-R219 VanDerWaalsContact C-N 3.32Å; H217-R219 PolarHBondContact O-N 2.91Å; H217-E220 PolarHBondContact O-N 3.14Å; H217-L221 PolarHBondContact O-N 3.07Å
218F87.7Confident72Confident3 Ų348.7 Ų48.71%0.01328%0.276CS..Hα-helixtrans-62.9-39.2176.8-174.1-98.6000112.2I187 L190 R191 F194 C216 L221 L222 F267 L279I187-F218 HydrophobicContact CG2-CD2 4.41Å; I187-F218 HydrophobicContact CG2-CE2 4.01Å; L190-F218 HydrophobicContact CB-CB 4.11Å; L190-F218 HydrophobicContact CB-CD2 4.44Å; R191-F218 HydrophobicContact CB-CD1 4.5Å; R191-F218 HydrophobicContact CB-CD2 3.95Å; R191-F218 HydrophobicContact CB-CE2 4.03Å; R191-F218 HydrophobicContact CB-CG 4.2Å; R191-F218 HydrophobicContact CB-CZ 4.35Å; R191-F218 HydrophobicContact CG-CE1 4.49Å; R191-F218 HydrophobicContact CG-CZ 4.48Å; F194-F218 HydrophobicContact CB-CB 4.31Å; C216-F218 VanDerWaalsContact C-N 3.34Å; C216-F218 PolarHBondContact O-N 2.91Å; F218-L221 WeakPolarHBondContact O-CB 3.47Å; F218-L221 PolarHBondContact O-N 3.43Å; F218-L222 HydrophobicContact CD1-CD1 4.31Å; F218-L222 HydrophobicContact CD1-CG 4.49Å; F218-L222 HydrophobicContact CE1-CD1 3.8Å; F218-L222 HydrophobicContact CE1-CD2 4.38Å; F218-L222 HydrophobicContact CE1-CG 4.1Å; F218-L222 HydrophobicContact CZ-CD1 4.49Å; F218-L222 HydrophobicContact CZ-CD2 4.29Å; F218-L222 HydrophobicContact CZ-CG 4.47Å; F218-L222 PolarHBondContact O-N 3.41Å; F218-L222 VanDerWaalsContact O-N 3.14Å; F218-F267 HydrophobicContact CE2-CE2 4.16Å; F218-L279 HydrophobicContact CD1-CD1 4.14Å; F218-L279 HydrophobicContact CE1-CD1 4.2Å; F218-L279 HydrophobicContact CE1-CD2 4.05Å
219R85.2Confident74Confident38 Ų3844.7 Ų44.714%0.14325%0.246CC..Hα-helixtrans-65.5-44.2176.4-173-174.8-171.6-173.14.7111.4F194 C216 H217 L221 L222 R223 D282F194-R219 HydrophobicContact CD2-CB 4.47Å; F194-R219 HydrophobicContact CE2-CB 4.13Å; C216-R219 HydrophobicContact CB-CB 4.41Å; C216-R219 WeakPolarHBondContact O-CB 3.44Å; C216-R219 PolarHBondContact O-N 2.87Å; C216-R219 VanDerWaalsContact O-N 3.11Å; H217-R219 VanDerWaalsContact C-N 3.32Å; H217-R219 PolarHBondContact O-N 2.91Å; R219-L221 VanDerWaalsContact C-N 3.32Å; R219-L221 PolarHBondContact O-N 3.45Å; R219-L222 PolarHBondContact O-N 2.96Å; R219-R223 WeakPolarHBondContact O-CG 3.33Å; R219-R223 PolarHBondContact O-N 3.44Å; R219-R223 VanDerWaalsContact O-N 3.09Å; R219-D282 WeakPolarHBondContact CG-OD2 3.48Å; R219-D282 IonicContact CZ-OD2 2.75Å; R219-D282 IonicContact NE-OD2 3.24Å; R219-D282 PolarHBondContact NE-OD2 2.87Å; R219-D282 IonicContact NH2-OD2 3.53Å; R219-D282 PolarHBondContact NH2-OD2 2.88Å
220E86.1Confident75.9Confident26 Ų2645.8 Ų45.812%0.12125%0.254CS..Hα-helixtrans-64-37.5176.1-71.8-59.9121.200111.8F150 H151 R154 C216 H217 L222 R223 T224F150-E220 HydrophobicContact CB-CB 3.8Å; H151-E220 IonicContact CD2-OE2 3.17Å; R154-E220 IonicContact CZ-OE1 2.58Å; R154-E220 IonicContact CZ-OE2 3.66Å; R154-E220 VanDerWaalsContact CZ-OE2 3.24Å; R154-E220 IonicContact NE-OE2 3.78Å; R154-E220 PolarHBondContact NE-OE2 3.2Å; R154-E220 IonicContact NH2-OE1 2.96Å; R154-E220 PolarHBondContact NH2-OE1 3.28Å; R154-E220 IonicContact NH2-OE2 2.75Å; R154-E220 PolarHBondContact NH2-OE2 3.01Å; C216-E220 PolarHBondContact O-N 2.91Å; H217-E220 PolarHBondContact O-N 3.14Å; E220-L222 PolarHBondContact O-N 3.04Å; E220-R223 CarbonylContact O-C 3.29Å; E220-R223 PolarHBondContact O-N 2.9Å; E220-R223 WeakPolarHBondContact OE1-CD 3.3Å; E220-R223 IonicContact OE1-CZ 3.82Å; E220-R223 IonicContact OE1-NH1 3.55Å; E220-R223 PolarHBondContact OE1-NH1 3.48Å; E220-T224 PolarHBondContact O-N 3.21Å; E220-T224 PolarHBondContact O-OG1 3.33Å
221L89.2Confident77Confident2 Ų244.8 Ų44.81%0.0125%0.246CC..Hα-helixtrans-57.7-49172.6174.361.9000112.1F150 M179 I187 H217 F218 R219 R223 T224 I225 F267F150-L221 HydrophobicContact CD1-CD1 4.11Å; F150-L221 HydrophobicContact CD2-CB 4.47Å; F150-L221 HydrophobicContact CE1-CD1 3.85Å; F150-L221 HydrophobicContact CG-CB 4.47Å; F150-L221 HydrophobicContact CZ-CD1 4.33Å; M179-L221 HydrophobicContact CE-CD1 3.33Å; M179-L221 HydrophobicContact CE-CD2 4.39Å; M179-L221 HydrophobicContact CE-CG 4.5Å; I187-L221 HydrophobicContact CD1-CD2 3.75Å; H217-L221 PolarHBondContact O-N 3.07Å; F218-L221 WeakPolarHBondContact O-CB 3.47Å; F218-L221 PolarHBondContact O-N 3.43Å; R219-L221 VanDerWaalsContact C-N 3.32Å; R219-L221 PolarHBondContact O-N 3.45Å; L221-R223 VanDerWaalsContact C-N 3.25Å; L221-R223 PolarHBondContact O-N 3.25Å; L221-T224 PolarHBondContact O-N 2.89Å; L221-I225 HydrophobicContact CD1-CD1 4.24Å; L221-I225 HydrophobicContact CD1-CG1 4.44Å; L221-I225 HydrophobicContact CG-CD1 4.28Å; L221-I225 WeakPolarHBondContact O-CG1 3.25Å; L221-I225 PolarHBondContact O-N 3.26Å; L221-F267 HydrophobicContact CD2-CE2 4.4Å
222L88.7Confident78.3Confident0 Ų040.5 Ų40.50%022%0.223CC..Hα-helixtrans-60-37.4176.8-64.5-177.5000111.9F218 R219 E220 R226 F267 L279 M286F218-L222 HydrophobicContact CD1-CD1 4.31Å; F218-L222 HydrophobicContact CD1-CG 4.49Å; F218-L222 HydrophobicContact CE1-CD1 3.8Å; F218-L222 HydrophobicContact CE1-CD2 4.38Å; F218-L222 HydrophobicContact CE1-CG 4.1Å; F218-L222 HydrophobicContact CZ-CD1 4.49Å; F218-L222 HydrophobicContact CZ-CD2 4.29Å; F218-L222 HydrophobicContact CZ-CG 4.47Å; F218-L222 PolarHBondContact O-N 3.41Å; F218-L222 VanDerWaalsContact O-N 3.14Å; R219-L222 PolarHBondContact O-N 2.96Å; E220-L222 PolarHBondContact O-N 3.04Å; L222-R226 WeakPolarHBondContact O-CB 3.44Å; L222-R226 PolarHBondContact O-N 3.45Å; L222-F267 HydrophobicContact CD2-CZ 3.91Å; L222-L279 HydrophobicContact CD1-CD1 3.55Å; L222-L279 HydrophobicContact CD1-CG 4.11Å; L222-M286 HydrophobicContact CD2-CE 4.43Å; L222-M286 HydrophobicContact CD2-SD 3.48Å; L222-M286 WeakPolarHBondContact CD2-SD 3.35Å
223R88.5Confident79.2Confident48 Ų4838.9 Ų38.918%0.18121%0.214CC..Hα-helixtrans-70.7-37.1177-69.2170.4169-175.3-11.8112.8R219 E220 L221 R226 D227 D282R219-R223 WeakPolarHBondContact O-CG 3.33Å; R219-R223 PolarHBondContact O-N 3.44Å; R219-R223 VanDerWaalsContact O-N 3.09Å; E220-R223 CarbonylContact O-C 3.29Å; E220-R223 PolarHBondContact O-N 2.9Å; E220-R223 WeakPolarHBondContact OE1-CD 3.3Å; E220-R223 IonicContact OE1-CZ 3.82Å; E220-R223 IonicContact OE1-NH1 3.55Å; E220-R223 PolarHBondContact OE1-NH1 3.48Å; L221-R223 VanDerWaalsContact C-N 3.25Å; L221-R223 PolarHBondContact O-N 3.25Å; R223-R226 WeakPolarHBondContact O-CB 3.12Å; R223-R226 PolarHBondContact O-N 3.43Å; R223-D227 WeakPolarHBondContact O-CB 3.34Å; R223-D227 VanDerWaalsContact O-CG 3.32Å; R223-D227 PolarHBondContact O-N 2.94Å; R223-D282 IonicContact CZ-OD1 3.91Å; R223-D282 IonicContact NE-OD1 3.52Å; R223-D282 PolarHBondContact NE-OD1 2.78Å; R223-D282 IonicContact NE-OD2 3.33Å; R223-D282 IonicContact NH2-OD1 3.84Å; R223-D282 IonicContact NH2-OD2 3.95Å
224T88.1Confident79.8Confident3 Ų337.3 Ų37.32%0.01820%0.204CC..Hα-helixtrans-63.5-43.8173.6-52.80000110.5F150 M153 F172 E220 L221 F228F150-T224 PolarHBondContact O-OG1 2.97Å; F150-T224 VanDerWaalsContact O-OG1 3.12Å; M153-T224 HydrophobicContact CB-CG2 4.27Å; F172-T224 HydrophobicContact CE1-CG2 4.46Å; F172-T224 HydrophobicContact CZ-CG2 4.3Å; E220-T224 PolarHBondContact O-N 3.21Å; E220-T224 PolarHBondContact O-OG1 3.33Å; L221-T224 PolarHBondContact O-N 2.89Å; T224-F228 VanDerWaalsContact O-CB 3.26Å; T224-F228 WeakPolarHBondContact O-CB 3.27Å; T224-F228 PolarHBondContact O-N 3.33Å
225I90.4Very high80.8Confident0 Ų039.2 Ų39.20%021%0.211CC..Hα-helixtrans-61.2-47.4173.1-64.8170.7000109.8I176 I180 L221 D227 F228 Y229 F267 M286 L290I176-I225 HydrophobicContact CG2-CG1 4.2Å; I180-I225 HydrophobicContact CD1-CD1 4.13Å; L221-I225 HydrophobicContact CD1-CD1 4.24Å; L221-I225 HydrophobicContact CD1-CG1 4.44Å; L221-I225 HydrophobicContact CG-CD1 4.28Å; L221-I225 WeakPolarHBondContact O-CG1 3.25Å; L221-I225 PolarHBondContact O-N 3.26Å; I225-D227 PolarHBondContact O-N 3.03Å; I225-F228 PolarHBondContact O-N 3.02Å; I225-Y229 HydrophobicContact CG2-CD2 3.7Å; I225-Y229 HydrophobicContact CG2-CE2 3.83Å; I225-Y229 WeakPolarHBondContact O-CD2 3.48Å; I225-Y229 PolarHBondContact O-N 3.47Å; I225-Y229 VanDerWaalsContact O-N 3.17Å; I225-F267 HydrophobicContact CD1-CE1 3.81Å; I225-F267 HydrophobicContact CD1-CZ 3.91Å; I225-M286 HydrophobicContact CB-CG 4.09Å; I225-M286 HydrophobicContact CB-SD 4.42Å; I225-M286 HydrophobicContact CD1-SD 4.33Å; I225-M286 HydrophobicContact CG2-CG 3.54Å; I225-M286 HydrophobicContact CG2-SD 3.98Å; I225-L290 HydrophobicContact CG2-CD2 4.36Å
226R89.2Confident81.5Confident57 Ų5735.9 Ų35.922%0.21520%0.196CC..Hα-helixtrans-52.2-57.1177178.8-163.468.8-165.11.7111.6L222 R223 S230 D282 A285 M286 S289L222-R226 WeakPolarHBondContact O-CB 3.44Å; L222-R226 PolarHBondContact O-N 3.45Å; R223-R226 WeakPolarHBondContact O-CB 3.12Å; R223-R226 PolarHBondContact O-N 3.43Å; R226-S230 WeakPolarHBondContact O-CB 3.43Å; R226-S230 PolarHBondContact O-N 3.36Å; R226-D282 IonicContact NH1-OD1 2.69Å; R226-A285 VanDerWaalsContact CD-CB 3.42Å; R226-A285 HydrophobicContact CG-CB 4.03Å; R226-M286 HydrophobicContact CB-CB 4.46Å; R226-S289 WeakPolarHBondContact CA-OG 3.49Å; R226-S289 WeakPolarHBondContact O-CB 3.37Å; R226-S289 PolarHBondContact O-OG 2.79Å
227D85.7Confident81.7Confident43 Ų4336.6 Ų36.623%0.2320%0.198CC..Hα-helixtrans-68.9-37.4-171.6-66.5-14.4000111.4R154 L158 R223 I225 S230R154-D227 WeakPolarHBondContact CD-OD2 3.11Å; R154-D227 HydrophobicContact CG-CB 4.46Å; R154-D227 WeakPolarHBondContact CG-OD2 3.19Å; R154-D227 IonicContact NH1-OD2 2.96Å; L158-D227 HydrophobicContact CD1-CB 3.52Å; R223-D227 WeakPolarHBondContact O-CB 3.34Å; R223-D227 VanDerWaalsContact O-CG 3.32Å; R223-D227 PolarHBondContact O-N 2.94Å; I225-D227 PolarHBondContact O-N 3.03Å; D227-S230 PolarHBondContact O-OG 2.98Å
228F87.8Confident81.5Confident5 Ų537.1 Ų37.12%0.02220%0.202CC..Hα-helixtrans-65.5-46.9178.7178.9-111.7000113.7L158 L162 L163 V169 F172 H173 I176 T224 I225 S230L158-F228 HydrophobicContact CD2-CB 4.06Å; L158-F228 HydrophobicContact CD2-CD2 3.76Å; L158-F228 HydrophobicContact CD2-CG 4.4Å; L162-F228 HydrophobicContact CD2-CD2 3.85Å; L162-F228 HydrophobicContact CD2-CE2 3.73Å; L163-F228 HydrophobicContact CD2-CD2 4.27Å; L163-F228 HydrophobicContact CD2-CE2 4.21Å; V169-F228 HydrophobicContact CB-CZ 4.47Å; V169-F228 HydrophobicContact CG1-CE2 4.17Å; V169-F228 HydrophobicContact CG1-CZ 3.71Å; V169-F228 WeakPolarHBondContact O-CZ 3.44Å; F172-F228 HydrophobicContact CB-CE2 4.05Å; F172-F228 HydrophobicContact CB-CZ 4.16Å; F172-F228 HydrophobicContact CD1-CD1 4.2Å; F172-F228 AromaticContact CD1-CD2 3.47Å; F172-F228 HydrophobicContact CD1-CD2 3.47Å; F172-F228 VanDerWaalsContact CD1-CD2 3.47Å; F172-F228 HydrophobicContact CD1-CE1 4.18Å; F172-F228 AromaticContact CD1-CE2 3.44Å; F172-F228 HydrophobicContact CD1-CE2 3.44Å; F172-F228 VanDerWaalsContact CD1-CE2 3.44Å; F172-F228 AromaticContact CD1-CG 3.86Å; F172-F228 HydrophobicContact CD1-CG 3.86Å; F172-F228 AromaticContact CD1-CZ 3.8Å; F172-F228 HydrophobicContact CD1-CZ 3.8Å; F172-F228 HydrophobicContact CE1-CB 4.33Å; F172-F228 AromaticContact CE1-CD2 3.81Å; F172-F228 HydrophobicContact CE1-CD2 3.81Å; F172-F228 HydrophobicContact CE1-CE2 4.25Å; F172-F228 AromaticContact CE1-CG 3.98Å; F172-F228 HydrophobicContact CE1-CG 3.98Å; F172-F228 HydrophobicContact CG-CD2 4.48Å; F172-F228 HydrophobicContact CG-CE2 4.12Å; F172-F228 HydrophobicContact CG-CZ 4.47Å; H173-F228 HydrophobicContact CB-CE1 4.12Å; H173-F228 HydrophobicContact CB-CZ 4.29Å; I176-F228 HydrophobicContact CD1-CD1 4.02Å; I176-F228 HydrophobicContact CD1-CE1 4.5Å; I176-F228 HydrophobicContact CD1-CG 4.44Å; T224-F228 VanDerWaalsContact O-CB 3.26Å; T224-F228 WeakPolarHBondContact O-CB 3.27Å; T224-F228 PolarHBondContact O-N 3.33Å; I225-F228 PolarHBondContact O-N 3.02Å; F228-S230 VanDerWaalsContact C-N 3.33Å; F228-S230 PolarHBondContact O-N 3.35Å
229Y87.3Confident81.3Confident11 Ų1137 Ų374%0.04320%0.202CC..Hα-helixtrans-82.4-8.4-178.7-65.5-75.8000113.9H173 I225 A231 L238 A239 F242 L290H173-Y229 PolarHBondContact CE1-OH 3.49Å; H173-Y229 AromaticContact ND1-CE1 3.66Å; H173-Y229 AromaticContact ND1-CZ 3.59Å; H173-Y229 PolarHBondContact ND1-OH 3.46Å; I225-Y229 HydrophobicContact CG2-CD2 3.7Å; I225-Y229 HydrophobicContact CG2-CE2 3.83Å; I225-Y229 WeakPolarHBondContact O-CD2 3.48Å; I225-Y229 PolarHBondContact O-N 3.47Å; I225-Y229 VanDerWaalsContact O-N 3.17Å; Y229-A231 PolarHBondContact O-N 2.99Å; Y229-L238 HydrophobicContact CE1-CB 4.24Å; Y229-A239 HydrophobicContact CD1-CB 4.04Å; Y229-F242 HydrophobicContact CE1-CE2 4.35Å; Y229-F242 AromaticContact CE2-CE2 3.82Å; Y229-F242 HydrophobicContact CE2-CE2 3.82Å; Y229-F242 HydrophobicContact CE2-CZ 4.03Å; Y229-F242 AromaticContact CZ-CE2 3.61Å; Y229-F242 WeakPolarHBondContact OH-CE2 3.36Å; Y229-L290 HydrophobicContact CD1-CD2 4.37Å; Y229-L290 HydrophobicContact CD2-CD2 3.65Å; Y229-L290 HydrophobicContact CE2-CD2 4.11Å; Y229-L290 HydrophobicContact CG-CD2 3.84Å
230S80.3Confident81Confident73 Ų7339.1 Ų39.151%0.5121%0.212SC..THydrogen-bonded Turntrans-60.1-37.7-169.964.60000115.2R226 D227 F228R226-S230 WeakPolarHBondContact O-CB 3.43Å; R226-S230 PolarHBondContact O-N 3.36Å; D227-S230 PolarHBondContact O-OG 2.98Å; F228-S230 VanDerWaalsContact C-N 3.33Å; F228-S230 PolarHBondContact O-N 3.35Å
231A65.5Low80.7Confident62 Ų6239.2 Ų39.251%0.51221%0.214SC..THydrogen-bonded Turntrans-104.5-11.1-167.900000114.7L163 Y229 P233L163-A231 HydrophobicContact CD1-CB 4.08Å; Y229-A231 PolarHBondContact O-N 2.99Å; A231-P233 WeakPolarHBondContact O-CA 3.5Å; A231-P233 VanDerWaalsContact O-CD 3.31Å; A231-P233 WeakPolarHBondContact O-CD 3.44Å
232N72Confident80.5Confident28 Ų2839.1 Ų39.115%0.1521%0.214CC..  trans13.659.5-172.2-170.618.8000115M234 N235 L236 C292N232-M234 PolarHBondContact O-N 3.28Å; N232-M234 VanDerWaalsContact O-N 3.13Å; N232-N235 PolarHBondContact O-N 3.43Å; N232-N235 PolarHBondContact OD1-N 3.27Å; N232-L236 PolarHBondContact OD1-N 3.1Å; N232-C292 HydrophobicContact CB-CB 4.11Å
233P66.3Low80Confident66 Ų6639.6 Ų39.643%0.42922%0.216SC..THydrogen-bonded Turntrans-70-20.3-164.623.9-30.8000113.2L163 A231L163-P233 HydrophobicContact CB-CG 3.89Å; L163-P233 HydrophobicContact CD1-CG 4.42Å; A231-P233 WeakPolarHBondContact O-CA 3.5Å; A231-P233 VanDerWaalsContact O-CD 3.31Å; A231-P233 WeakPolarHBondContact O-CD 3.44Å
234M67.8Low79Confident79 Ų7939.1 Ų39.139%0.38922%0.22SC..THydrogen-bonded Turntrans-101.74.7-176.4-64.1-74.4-14500113.1R164 E166 N232 L236R164-M234 WeakPolarHBondContact O-CE 3.27Å; E166-M234 HydrophobicContact CB-CE 4.35Å; N232-M234 PolarHBondContact O-N 3.28Å; N232-M234 VanDerWaalsContact O-N 3.13Å; M234-L236 HydrophobicContact CB-CD1 3.93Å; M234-L236 HydrophobicContact CB-CD2 4.16Å; M234-L236 HydrophobicContact CB-CG 3.66Å; M234-L236 PolarHBondContact O-N 3.4Å; M234-L236 VanDerWaalsContact O-N 3.14Å
235N71.3Confident77.6Confident128 Ų12842.8 Ų42.868%0.68424%0.241SC*.  trans48.238.9-177.5-75.3-25.1000114.4N232 D237N232-N235 PolarHBondContact O-N 3.43Å; N232-N235 PolarHBondContact OD1-N 3.27Å; N235-D237 PolarHBondContact O-N 3.36Å
236L76.6Confident75.7Confident35 Ų3545.3 Ų45.318%0.18327%0.268CS..  trans-78.1-6.8-174.6-62.3174.8000113.8E166 V169 N232 M234 L238E166-L236 HydrophobicContact CB-CD1 4.39Å; E166-L236 HydrophobicContact CG-CD1 3.9Å; E166-L236 HydrophobicContact CG-CD2 3.91Å; E166-L236 WeakPolarHBondContact OE1-CD2 3.49Å; V169-L236 HydrophobicContact CB-CD1 4.27Å; V169-L236 HydrophobicContact CG1-CD1 4.02Å; N232-L236 PolarHBondContact OD1-N 3.1Å; M234-L236 HydrophobicContact CB-CD1 3.93Å; M234-L236 HydrophobicContact CB-CD2 4.16Å; M234-L236 HydrophobicContact CB-CG 3.66Å; M234-L236 PolarHBondContact O-N 3.4Å; M234-L236 VanDerWaalsContact O-N 3.14Å; L236-L238 HydrophobicContact CB-CD1 4.2Å; L236-L238 HydrophobicContact CB-CD2 4.36Å; L236-L238 HydrophobicContact CB-CG 3.78Å; L236-L238 HydrophobicContact CD1-CD1 4.21Å; L236-L238 PolarHBondContact O-N 3.33Å
237D77.2Confident73.4Confident41 Ų4149.2 Ų49.222%0.21929%0.289CS..  trans50.529.8-178.4-75.8-16.9000114.4N235 A239 K240 S293N235-D237 PolarHBondContact O-N 3.36Å; D237-A239 PolarHBondContact O-N 2.81Å; D237-K240 HydrophobicContact CB-CD 4.19Å; D237-K240 WeakPolarHBondContact O-CB 3.39Å; D237-K240 VanDerWaalsContact O-CD 3.28Å; D237-K240 WeakPolarHBondContact O-CD 3.34Å; D237-K240 WeakPolarHBondContact O-CG 3.32Å; D237-K240 PolarHBondContact O-N 2.97Å; D237-S293 WeakPolarHBondContact OD1-CB 3.24Å; D237-S293 PolarHBondContact OD1-OG 3.28Å; D237-S293 VanDerWaalsContact OD1-OG 3.09Å
238L81.4Confident71Confident31 Ų3155.9 Ų55.916%0.16232%0.318CS..G310 helixtrans-63.6-30.7-178.4-63176.9000112.4V169 H173 Y229 L236 K240 T241V169-L238 HydrophobicContact CG1-CD1 3.71Å; H173-L238 HydrophobicContact CB-CD1 3.96Å; H173-L238 PolarHBondContact CE1-O 2.92Å; Y229-L238 HydrophobicContact CE1-CB 4.24Å; L236-L238 HydrophobicContact CB-CD1 4.2Å; L236-L238 HydrophobicContact CB-CD2 4.36Å; L236-L238 HydrophobicContact CB-CG 3.78Å; L236-L238 HydrophobicContact CD1-CD1 4.21Å; L236-L238 PolarHBondContact O-N 3.33Å; L238-K240 PolarHBondContact O-N 2.89Å; L238-K240 VanDerWaalsContact O-N 3.13Å; L238-T241 PolarHBondContact O-N 3.49Å; L238-T241 PolarHBondContact O-OG1 3.43Å
239A82.8Confident68.4Low1 Ų163.5 Ų63.51%0.00836%0.359CS..G310 helixtrans-63.7-17.3179.100000113.7Y229 D237 T241 F242 L290Y229-A239 HydrophobicContact CD1-CB 4.04Å; D237-A239 PolarHBondContact O-N 2.81Å; A239-T241 PolarHBondContact O-N 2.73Å; A239-F242 WeakPolarHBondContact O-CB 3.33Å; A239-F242 PolarHBondContact O-N 2.83Å; A239-L290 HydrophobicContact CB-CB 4.45Å; A239-L290 HydrophobicContact CB-CD2 3.94Å; A239-L290 VanDerWaalsContact CB-O 3.31Å; A239-L290 WeakPolarHBondContact CB-O 3.33Å
240K79.2Confident65.6Low83 Ų8368.3 Ų68.336%0.36139%0.39SS..G310 helixtrans-62-30.5178.778.6-167.5165.5-169.80112.8D237 L238 F242 F243 C244D237-K240 HydrophobicContact CB-CD 4.19Å; D237-K240 WeakPolarHBondContact O-CB 3.39Å; D237-K240 VanDerWaalsContact O-CD 3.28Å; D237-K240 WeakPolarHBondContact O-CD 3.34Å; D237-K240 WeakPolarHBondContact O-CG 3.32Å; D237-K240 PolarHBondContact O-N 2.97Å; L238-K240 PolarHBondContact O-N 2.89Å; L238-K240 VanDerWaalsContact O-N 3.13Å; K240-F242 PolarHBondContact O-N 2.88Å; K240-F243 PolarHBondContact O-N 2.83Å; K240-F243 VanDerWaalsContact O-N 3.08Å; K240-C244 PolarHBondContact O-N 3.39Å; K240-C244 PolarHBondContact O-SG 2.89Å
241T80.2Confident63.2Low28 Ų2874 Ų7417%0.17241%0.405CS..G310 helixtrans-60.7-28.3-176.558.20000112.1L238 A239 F243 N261L238-T241 PolarHBondContact O-N 3.49Å; L238-T241 PolarHBondContact O-OG1 3.43Å; A239-T241 PolarHBondContact O-N 2.73Å; T241-F243 VanDerWaalsContact C-N 3.33Å; T241-F243 PolarHBondContact O-N 3.46Å; T241-N261 PolarHBondContact O-OD1 3.29Å
242F83.4Confident61.6Low0 Ų078 Ų780%042%0.423CS..G310 helixtrans-65.4-29.9176.9-80-93000113.9I176 I180 Y229 A239 K240 L264 F265 F267 I268 L290I176-F242 HydrophobicContact CG2-CZ 4.47Å; I180-F242 HydrophobicContact CD1-CE1 4.35Å; Y229-F242 HydrophobicContact CE1-CE2 4.35Å; Y229-F242 AromaticContact CE2-CE2 3.82Å; Y229-F242 HydrophobicContact CE2-CE2 3.82Å; Y229-F242 HydrophobicContact CE2-CZ 4.03Å; Y229-F242 AromaticContact CZ-CE2 3.61Å; Y229-F242 WeakPolarHBondContact OH-CE2 3.36Å; A239-F242 WeakPolarHBondContact O-CB 3.33Å; A239-F242 PolarHBondContact O-N 2.83Å; K240-F242 PolarHBondContact O-N 2.88Å; F242-L264 HydrophobicContact CD1-CB 4.22Å; F242-L264 HydrophobicContact CD1-CD2 4.41Å; F242-L264 HydrophobicContact CE1-CD2 4.04Å; F242-L264 HydrophobicContact CZ-CD2 4.29Å; F242-F265 WeakPolarHBondContact O-CA 3.26Å; F242-F265 PolarHBondContact O-N 3.46Å; F242-F267 HydrophobicContact CE1-CD1 4.47Å; F242-I268 HydrophobicContact CB-CD1 3.64Å; F242-I268 HydrophobicContact CD1-CD1 4.05Å; F242-I268 HydrophobicContact CD1-CG1 4.3Å; F242-I268 HydrophobicContact CG-CD1 4.34Å; F242-I268 VanDerWaalsContact O-CD1 3.29Å; F242-I268 WeakPolarHBondContact O-CD1 3.34Å; F242-L290 HydrophobicContact CB-CD1 4.45Å; F242-L290 HydrophobicContact CD1-CD1 4.21Å; F242-L290 HydrophobicContact CD1-CD2 4.47Å; F242-L290 HydrophobicContact CD2-CD2 3.73Å; F242-L290 HydrophobicContact CE2-CD2 4Å; F242-L290 HydrophobicContact CG-CD1 4.23Å; F242-L290 HydrophobicContact CG-CD2 3.99Å; F242-L290 HydrophobicContact CZ-CD2 4.47Å
243F80.3Confident59.8Low10 Ų1080.9 Ų80.94%0.04445%0.451CS..THydrogen-bonded Turntrans-109.4-1.9-174-57.3-73.2000114.6K240 T241 V245 I268 L287 L290 R299 C300 A303K240-F243 PolarHBondContact O-N 2.83Å; K240-F243 VanDerWaalsContact O-N 3.08Å; T241-F243 VanDerWaalsContact C-N 3.33Å; T241-F243 PolarHBondContact O-N 3.46Å; F243-V245 PolarHBondContact O-N 3.3Å; F243-I268 HydrophobicContact CD1-CD1 3.8Å; F243-I268 HydrophobicContact CE1-CD1 3.57Å; F243-I268 HydrophobicContact CE1-CG2 4.48Å; F243-I268 HydrophobicContact CZ-CD1 4.11Å; F243-L287 HydrophobicContact CE1-CD2 4.17Å; F243-L287 HydrophobicContact CZ-CD2 4.03Å; F243-L290 HydrophobicContact CE2-CB 3.82Å; F243-L290 HydrophobicContact CZ-CB 4.04Å; F243-L290 HydrophobicContact CZ-CD1 4.3Å; F243-R299 HydrophobicContact CB-CB 3.56Å; F243-R299 HydrophobicContact CG-CB 4.27Å; F243-C300 HydrophobicContact CD2-CB 4.43Å; F243-C300 HydrophobicContact CE1-CB 4.11Å; F243-C300 HydrophobicContact CE2-CB 3.94Å; F243-C300 HydrophobicContact CZ-CB 3.77Å; F243-A303 HydrophobicContact CD1-CB 4.22Å
244C66.6Low58.8Low38 Ų3883.8 Ų83.826%0.25746%0.457SS..  trans-75.4118.8-178.6-74.80000111.9K240 N261K240-C244 PolarHBondContact O-N 3.39Å; K240-C244 PolarHBondContact O-SG 2.89Å; C244-N261 HydrophobicContact CB-CB 4.31Å
245V58.4Low57.9Low79 Ų7985 Ų8548%0.47947%0.469SS..  trans-124.7120.2167.9-173.90000107.6F243 E247 F265F243-V245 PolarHBondContact O-N 3.3Å; V245-E247 PolarHBondContact O-N 3.23Å; V245-F265 HydrophobicContact CG2-CB 3.97Å; V245-F265 HydrophobicContact CG2-CD1 3.54Å; V245-F265 HydrophobicContact CG2-CD2 3.89Å; V245-F265 HydrophobicContact CG2-CE1 3.94Å; V245-F265 HydrophobicContact CG2-CE2 4.25Å; V245-F265 HydrophobicContact CG2-CG 3.51Å; V245-F265 HydrophobicContact CG2-CZ 4.28Å
246G51.1Low57Low54 Ų5482.3 Ų82.356%0.55746%0.455SS*.  trans-22.2107.3-167.300000118.1
247E40.1Very low55.9Low139 Ų13983 Ų8365%0.6547%0.465SS*.  trans-83.6138.2160.3-86.9175.1-17600110.5V245 N249 R299V245-E247 PolarHBondContact O-N 3.23Å; E247-N249 PolarHBondContact O-N 3.27Å; E247-R299 IonicContact OE1-CZ 3.32Å; E247-R299 IonicContact OE1-NH1 3.66Å; E247-R299 PolarHBondContact OE1-NH1 3.23Å; E247-R299 IonicContact OE1-NH2 2.92Å; E247-R299 PolarHBondContact OE1-NH2 3.4Å; E247-R299 IonicContact OE2-CZ 3.48Å; E247-R299 IonicContact OE2-NH2 3.75Å; E247-R299 PolarHBondContact OE2-NH2 2.82Å
248Q35.5Very low55Low183 Ų18385.5 Ų85.586%0.85548%0.478SS*.SBendtrans-74.428.7-160.1-65.8176.2-2100116.1V250Q248-V250 PolarHBondContact O-N 2.73Å
249N32.6Very low54.3Low165 Ų16590.6 Ų90.688%0.88250%0.499SS*.  trans-94.986.8173.9-78.4-11.4000111.2E247E247-N249 PolarHBondContact O-N 3.27Å
250V28.9Very low53.5Low112 Ų11292.6 Ų92.668%0.67951%0.511SS*.  trans-60.4145.1173.8177.40000111.1Q248Q248-V250 PolarHBondContact O-N 2.73Å
251F29.9Very low53.1Low191 Ų19190.6 Ų90.684%0.83850%0.504SS*.SBendtrans104102.3173.9-60.6-71.9000114
252V33Very low52.8Low147 Ų14792 Ų9289%0.89151%0.51SS*.SBendtrans104.8-8.6164.1-1660000118.3K254V252-K254 PolarHBondContact O-N 2.89Å
253A32.7Very low52.5Low89 Ų8993 Ų9374%0.73652%0.521SS*.  trans-73.9114.5170.700000111.6T255A253-T255 PolarHBondContact O-N 3.39Å
254K45.8Very low52.7Low126 Ų12692.6 Ų92.655%0.54852%0.519SS..  trans-46129.4173.9-73.8-170.5176.5-165.40109.6D68 V252 D256 A257D68-K254 IonicContact OD1-NZ 3.64Å; D68-K254 PolarHBondContact OD1-NZ 3.34Å; D68-K254 IonicContact OD2-NZ 2.83Å; D68-K254 PolarHBondContact OD2-NZ 2.93Å; V252-K254 PolarHBondContact O-N 2.89Å; K254-D256 PolarHBondContact O-N 3.06Å; K254-A257 PolarHBondContact O-N 3.25Å
255T48.5Very low53.4Low104 Ų10492.8 Ų92.864%0.63852%0.515SS*.Hα-helixtrans-50.1-26.9-17735.60000114.3A253 L258A253-T255 PolarHBondContact O-N 3.39Å; T255-L258 PolarHBondContact O-N 3.06Å
256D52.3Low54.6Low73 Ų7395.5 Ų95.539%0.3952%0.52SS..Hα-helixtrans-81.7-29.1-175.7-55.3-54.8000113.2K254 L258 K259 T260K254-D256 PolarHBondContact O-N 3.06Å; D256-L258 PolarHBondContact O-N 3.36Å; D256-K259 PolarHBondContact O-N 3.08Å; D256-K259 VanDerWaalsContact O-N 3.16Å; D256-K259 IonicContact OD1-NZ 3Å; D256-K259 PolarHBondContact OD1-NZ 3.44Å; D256-T260 WeakPolarHBondContact O-CG2 3.2Å; D256-T260 PolarHBondContact O-N 3.2Å; D256-T260 PolarHBondContact O-OG1 2.61Å
257A55.4Low56.3Low48 Ų4893.5 Ų93.540%0.39750%0.497SS..Hα-helixtrans-62.5-27.6171.100000112.1K254 T260 N261K254-A257 PolarHBondContact O-N 3.25Å; A257-T260 WeakPolarHBondContact CA-OG1 3.4Å; A257-T260 PolarHBondContact O-OG1 3.2Å; A257-N261 WeakPolarHBondContact O-CB 3.49Å; A257-N261 PolarHBondContact O-N 3.17Å; A257-N261 PolarHBondContact O-ND2 3.34Å
258L57.7Low58.4Low94 Ų9487 Ų8749%0.49247%0.466SS..Hα-helixtrans-76-39.9176.3-156109.2000111.6T255 D256 I262T255-L258 PolarHBondContact O-N 3.06Å; D256-L258 PolarHBondContact O-N 3.36Å; L258-I262 HydrophobicContact CD2-CD1 3.82Å; L258-I262 HydrophobicContact CG-CD1 4.26Å; L258-I262 WeakPolarHBondContact O-CD1 3.46Å; L258-I262 WeakPolarHBondContact O-CG1 3.48Å; L258-I262 PolarHBondContact O-N 3.25Å; L258-I262 VanDerWaalsContact O-N 3.12Å
259K65.4Low60.4Low139 Ų13983.6 Ų83.660%0.60445%0.446SS*.Hα-helixtrans-65.1-43.9177.9-67.5177.4-168.1152.80111.5D256 I262 G263D256-K259 PolarHBondContact O-N 3.08Å; D256-K259 VanDerWaalsContact O-N 3.16Å; D256-K259 IonicContact OD1-NZ 3Å; D256-K259 PolarHBondContact OD1-NZ 3.44Å; K259-I262 PolarHBondContact O-N 2.86Å; K259-G263 PolarHBondContact O-N 3.01Å
260T66.8Low62.6Low43 Ų4378.2 Ų78.226%0.26442%0.424SS..Hα-helixtrans-62.5-48.9179.151.20000111.3T181 D256 A257 I262 G263 L264T181-T260 HydrophobicContact CG2-CG2 4.28Å; D256-T260 WeakPolarHBondContact O-CG2 3.2Å; D256-T260 PolarHBondContact O-N 3.2Å; D256-T260 PolarHBondContact O-OG1 2.61Å; A257-T260 WeakPolarHBondContact CA-OG1 3.4Å; A257-T260 PolarHBondContact O-OG1 3.2Å; T260-I262 VanDerWaalsContact C-N 3.34Å; T260-I262 PolarHBondContact O-N 3.49Å; T260-G263 WeakPolarHBondContact O-CA 3.23Å; T260-G263 PolarHBondContact O-N 3.23Å; T260-L264 WeakPolarHBondContact O-CG 3.47Å; T260-L264 PolarHBondContact O-N 3.15Å
261N70.1Confident65Low40 Ų4073 Ų7321%0.21439%0.392CS..Hα-helixtrans-58.4-42.5177-73.2-20.5000112.6T241 C244 A257 G263 L264 F265T241-N261 PolarHBondContact O-OD1 3.29Å; C244-N261 HydrophobicContact CB-CB 4.31Å; A257-N261 WeakPolarHBondContact O-CB 3.49Å; A257-N261 PolarHBondContact O-N 3.17Å; A257-N261 PolarHBondContact O-ND2 3.34Å; N261-G263 VanDerWaalsContact C-N 3.32Å; N261-G263 PolarHBondContact O-N 3.19Å; N261-L264 PolarHBondContact O-N 3.49Å; N261-F265 PolarHBondContact O-N 3.45Å
262I74.1Confident67.2Low59 Ų5964.2 Ų64.230%0.30336%0.355SS..Hα-helixtrans-63.6-39.1175.2-68.3165.5000111.2L258 K259 T260 K266L258-I262 HydrophobicContact CD2-CD1 3.82Å; L258-I262 HydrophobicContact CG-CD1 4.26Å; L258-I262 WeakPolarHBondContact O-CD1 3.46Å; L258-I262 WeakPolarHBondContact O-CG1 3.48Å; L258-I262 PolarHBondContact O-N 3.25Å; L258-I262 VanDerWaalsContact O-N 3.12Å; K259-I262 PolarHBondContact O-N 2.86Å; T260-I262 VanDerWaalsContact C-N 3.34Å; T260-I262 PolarHBondContact O-N 3.49Å; I262-K266 HydrophobicContact CG2-CD 4.08Å; I262-K266 HydrophobicContact CG2-CG 4.5Å; I262-K266 WeakPolarHBondContact O-CB 3.08Å; I262-K266 VanDerWaalsContact O-CG 3.24Å; I262-K266 WeakPolarHBondContact O-CG 3.43Å; I262-K266 PolarHBondContact O-N 3.38Å
263G78.3Confident68.9Low21 Ų2161.4 Ų61.422%0.21633%0.332CS..Hα-helixtrans-62.2-46.4176.500000112.6K259 T260 N261 K266 F267K259-G263 PolarHBondContact O-N 3.01Å; T260-G263 WeakPolarHBondContact O-CA 3.23Å; T260-G263 PolarHBondContact O-N 3.23Å; N261-G263 VanDerWaalsContact C-N 3.32Å; N261-G263 PolarHBondContact O-N 3.19Å; G263-K266 WeakPolarHBondContact O-CB 3.48Å; G263-K266 PolarHBondContact O-N 2.99Å; G263-F267 PolarHBondContact O-N 2.98Å
264L84.6Confident70.4Confident1 Ų162.4 Ų62.41%0.00533%0.325CS..Hα-helixtrans-66.1-42178.8-63.3173.2000112.5V177 I180 T181 F242 T260 N261 K266 F267 I268V177-L264 HydrophobicContact CG1-CD1 4.19Å; V177-L264 HydrophobicContact CG1-CD2 4.41Å; V177-L264 HydrophobicContact CG2-CD1 4.04Å; V177-L264 HydrophobicContact CG2-CD2 4.3Å; I180-L264 HydrophobicContact CB-CD2 4.15Å; I180-L264 HydrophobicContact CD1-CD2 4.23Å; I180-L264 HydrophobicContact CG2-CD2 3.97Å; T181-L264 HydrophobicContact CG2-CD2 4.31Å; T181-L264 HydrophobicContact CG2-CG 4.29Å; F242-L264 HydrophobicContact CD1-CB 4.22Å; F242-L264 HydrophobicContact CD1-CD2 4.41Å; F242-L264 HydrophobicContact CE1-CD2 4.04Å; F242-L264 HydrophobicContact CZ-CD2 4.29Å; T260-L264 WeakPolarHBondContact O-CG 3.47Å; T260-L264 PolarHBondContact O-N 3.15Å; N261-L264 PolarHBondContact O-N 3.49Å; L264-K266 VanDerWaalsContact C-N 3.33Å; L264-K266 PolarHBondContact O-N 3.1Å; L264-F267 WeakPolarHBondContact O-CB 3.3Å; L264-F267 PolarHBondContact O-N 2.82Å; L264-F267 VanDerWaalsContact O-N 3.16Å; L264-I268 PolarHBondContact O-N 2.83Å; L264-I268 VanDerWaalsContact O-N 3.12Å
265F81.6Confident71.4Confident42 Ų4257.3 Ų57.318%0.18430%0.303CS..Hα-helixtrans-64.9-39175.7-174.7-102.6000111.9F242 V245 N261 F267 I268 R269 A303 F307F242-F265 WeakPolarHBondContact O-CA 3.26Å; F242-F265 PolarHBondContact O-N 3.46Å; V245-F265 HydrophobicContact CG2-CB 3.97Å; V245-F265 HydrophobicContact CG2-CD1 3.54Å; V245-F265 HydrophobicContact CG2-CD2 3.89Å; V245-F265 HydrophobicContact CG2-CE1 3.94Å; V245-F265 HydrophobicContact CG2-CE2 4.25Å; V245-F265 HydrophobicContact CG2-CG 3.51Å; V245-F265 HydrophobicContact CG2-CZ 4.28Å; N261-F265 PolarHBondContact O-N 3.45Å; F265-F267 VanDerWaalsContact C-N 3.3Å; F265-F267 PolarHBondContact O-N 2.89Å; F265-I268 PolarHBondContact O-N 2.9Å; F265-R269 PolarHBondContact O-N 2.95Å; F265-R269 VanDerWaalsContact O-N 3.1Å; F265-A303 HydrophobicContact CE2-CB 4.03Å; F265-F307 HydrophobicContact CZ-CE1 4.42Å
266K81.9Confident72.3Confident135 Ų13553.5 Ų53.559%0.58728%0.28SS*.Hα-helixtrans-61.6-37.9172.4-78.2174.3-178.9176.60111.8I262 G263 L264 R269 A270I262-K266 HydrophobicContact CG2-CD 4.08Å; I262-K266 HydrophobicContact CG2-CG 4.5Å; I262-K266 WeakPolarHBondContact O-CB 3.08Å; I262-K266 VanDerWaalsContact O-CG 3.24Å; I262-K266 WeakPolarHBondContact O-CG 3.43Å; I262-K266 PolarHBondContact O-N 3.38Å; G263-K266 WeakPolarHBondContact O-CB 3.48Å; G263-K266 PolarHBondContact O-N 2.99Å; L264-K266 VanDerWaalsContact C-N 3.33Å; L264-K266 PolarHBondContact O-N 3.1Å; K266-R269 PolarHBondContact O-N 3.12Å; K266-A270 VanDerWaalsContact O-CB 3.23Å; K266-A270 WeakPolarHBondContact O-CB 3.35Å; K266-A270 PolarHBondContact O-N 2.64Å
267F87.1Confident72.9Confident13 Ų1350.9 Ų50.96%0.05727%0.267CS..Hα-helixtrans-61.5-45.7175.1166.9-100000112.3I180 I187 F218 L221 L222 I225 F242 G263 L264 F265 R269 A270 S271 M286I180-F267 HydrophobicContact CD1-CD1 4.13Å; I180-F267 HydrophobicContact CD1-CE1 4.12Å; I180-F267 HydrophobicContact CD1-CG 4.39Å; I180-F267 HydrophobicContact CD1-CZ 4.35Å; I180-F267 HydrophobicContact CG2-CB 3.6Å; I180-F267 HydrophobicContact CG2-CD1 4.4Å; I180-F267 HydrophobicContact CG2-CD2 4.03Å; I180-F267 HydrophobicContact CG2-CG 3.75Å; I187-F267 HydrophobicContact CG2-CD2 3.87Å; I187-F267 HydrophobicContact CG2-CE2 3.78Å; F218-F267 HydrophobicContact CE2-CE2 4.16Å; L221-F267 HydrophobicContact CD2-CE2 4.4Å; L222-F267 HydrophobicContact CD2-CZ 3.91Å; I225-F267 HydrophobicContact CD1-CE1 3.81Å; I225-F267 HydrophobicContact CD1-CZ 3.91Å; F242-F267 HydrophobicContact CE1-CD1 4.47Å; G263-F267 PolarHBondContact O-N 2.98Å; L264-F267 WeakPolarHBondContact O-CB 3.3Å; L264-F267 PolarHBondContact O-N 2.82Å; L264-F267 VanDerWaalsContact O-N 3.16Å; F265-F267 VanDerWaalsContact C-N 3.3Å; F265-F267 PolarHBondContact O-N 2.89Å; F267-R269 VanDerWaalsContact C-N 3.3Å; F267-R269 PolarHBondContact O-N 3.12Å; F267-A270 PolarHBondContact O-N 3Å; F267-S271 VanDerWaalsContact O-CB 3.3Å; F267-S271 WeakPolarHBondContact O-CB 3.44Å; F267-S271 PolarHBondContact O-N 3.05Å; F267-S271 PolarHBondContact O-OG 2.83Å; F267-M286 HydrophobicContact CE1-SD 4.27Å
268I84.2Confident73.5Confident2 Ų248.8 Ų48.81%0.0125%0.25CC..Hα-helixtrans-60.3-43.1176.4-68.6165.3000111.2F242 F243 L264 F265 A272 Y283 L287F242-I268 HydrophobicContact CB-CD1 3.64Å; F242-I268 HydrophobicContact CD1-CD1 4.05Å; F242-I268 HydrophobicContact CD1-CG1 4.3Å; F242-I268 HydrophobicContact CG-CD1 4.34Å; F242-I268 VanDerWaalsContact O-CD1 3.29Å; F242-I268 WeakPolarHBondContact O-CD1 3.34Å; F243-I268 HydrophobicContact CD1-CD1 3.8Å; F243-I268 HydrophobicContact CE1-CD1 3.57Å; F243-I268 HydrophobicContact CE1-CG2 4.48Å; F243-I268 HydrophobicContact CZ-CD1 4.11Å; L264-I268 PolarHBondContact O-N 2.83Å; L264-I268 VanDerWaalsContact O-N 3.12Å; F265-I268 PolarHBondContact O-N 2.9Å; I268-A272 PolarHBondContact O-N 2.93Å; I268-Y283 WeakPolarHBondContact CG2-OH 3.49Å; I268-Y283 PolarHBondContact O-OH 2.86Å; I268-L287 HydrophobicContact CG2-CD2 4.16Å
269R78.2Confident74.4Confident112 Ų11244.3 Ų44.342%0.42323%0.226SC..Hα-helixtrans-66.1-50.6178.8-178.4175.9173.9163.11.7111.8F265 K266 F267 S271 A272 E273 F307F265-R269 PolarHBondContact O-N 2.95Å; F265-R269 VanDerWaalsContact O-N 3.1Å; K266-R269 PolarHBondContact O-N 3.12Å; F267-R269 VanDerWaalsContact C-N 3.3Å; F267-R269 PolarHBondContact O-N 3.12Å; R269-S271 PolarHBondContact O-N 3.38Å; R269-A272 WeakPolarHBondContact O-CB 3.13Å; R269-A272 PolarHBondContact O-N 3.21Å; R269-E273 PolarHBondContact O-N 3.48Å; R269-F307 HydrophobicContact CG-CE1 4.37Å
270A79Confident75.1Confident51 Ų5138 Ų3842%0.42120%0.198SC..Hα-helixtrans-61.6-34.118000000112K266 F267 A272 E273K266-A270 VanDerWaalsContact O-CB 3.23Å; K266-A270 WeakPolarHBondContact O-CB 3.35Å; K266-A270 PolarHBondContact O-N 2.64Å; F267-A270 PolarHBondContact O-N 3Å; A270-A272 VanDerWaalsContact C-N 3.26Å; A270-A272 PolarHBondContact O-N 3.37Å; A270-E273 PolarHBondContact O-N 2.84Å
271S79.8Confident75.7Confident2 Ų237.3 Ų37.31%0.01420%0.195CC..Hα-helixtrans-65.5-29.2175.1-59.90000112.9R191 F267 R269R191-S271 PolarHBondContact NH1-O 3.31Å; F267-S271 VanDerWaalsContact O-CB 3.3Å; F267-S271 WeakPolarHBondContact O-CB 3.44Å; F267-S271 PolarHBondContact O-N 3.05Å; F267-S271 PolarHBondContact O-OG 2.83Å; R269-S271 PolarHBondContact O-N 3.38Å
272A74.8Confident76.3Confident7 Ų735.9 Ų35.96%0.05819%0.188CC..Hα-helixtrans-85.8-10.6179.400000114.3I268 R269 A270 M275 Y283I268-A272 PolarHBondContact O-N 2.93Å; R269-A272 WeakPolarHBondContact O-CB 3.13Å; R269-A272 PolarHBondContact O-N 3.21Å; A270-A272 VanDerWaalsContact C-N 3.26Å; A270-A272 PolarHBondContact O-N 3.37Å; A272-M275 WeakPolarHBondContact O-CG 3.42Å; A272-Y283 HydrophobicContact CB-CE1 4.31Å; A272-Y283 HydrophobicContact CB-CE2 4.27Å
273E68.2Low76.9Confident89 Ų8933.2 Ų33.242%0.41617%0.174SC..THydrogen-bonded Turntrans-71.4128.4177.7-70.1176.2-172.900109.5R191 R269 A270 M275R191-E273 PolarHBondContact NH2-O 3.41Å; R269-E273 PolarHBondContact O-N 3.48Å; A270-E273 PolarHBondContact O-N 2.84Å; E273-M275 PolarHBondContact O-N 3.22Å
274N64.2Low77.3Confident110 Ų11032.3 Ų32.359%0.58816%0.164SC*.THydrogen-bonded Turntrans48.747.4179.3-62-27.2000115.5R191 T276R191-N274 PolarHBondContact NH2-O 3.33Å; N274-T276 PolarHBondContact O-N 2.63Å
275M67.9Low77.4Confident18 Ų1833.4 Ų33.49%0.08917%0.173CC..  trans-62.7133.3-178.9-65.3-142.1-66.900113.8A272 E273 F280 Y283A272-M275 WeakPolarHBondContact O-CG 3.42Å; E273-M275 PolarHBondContact O-N 3.22Å; M275-F280 HydrophobicContact CE-CD2 3.66Å; M275-F280 HydrophobicContact CE-CE2 4.31Å; M275-F280 HydrophobicContact CE-CG 4.49Å; M275-Y283 HydrophobicContact CE-CD1 3.52Å; M275-Y283 HydrophobicContact CE-CE1 4.06Å; M275-Y283 HydrophobicContact CE-CG 4.05Å; M275-Y283 HydrophobicContact SD-CD1 3.65Å; M275-Y283 HydrophobicContact SD-CD2 4.13Å; M275-Y283 HydrophobicContact SD-CE1 4.28Å; M275-Y283 HydrophobicContact SD-CG 3.55Å; M275-Y283 VanDerWaalsContact SD-CG 3.55Å
276T67.4Low77.8Confident24 Ų2431.4 Ų31.415%0.14717%0.165CC..  trans-83.1156.5169.2600000111.2V198 N274 V278 L279 F280V198-T276 HydrophobicContact CG1-CG2 4.24Å; N274-T276 PolarHBondContact O-N 2.63Å; T276-V278 PolarHBondContact O-N 3.24Å; T276-L279 PolarHBondContact O-N 3.4Å; T276-L279 VanDerWaalsContact O-N 3.13Å; T276-F280 PolarHBondContact O-N 3.04Å; T276-F280 VanDerWaalsContact O-N 3.12Å
277P63.9Low78.1Confident18 Ų1825.1 Ų25.112%0.11714%0.137CC..Hα-helixtrans-54-36.7176.1-21.125.9000113.6L279 F280 W319 M402P277-L279 VanDerWaalsContact C-N 3.33Å; P277-L279 PolarHBondContact O-N 3.23Å; P277-F280 PolarHBondContact O-N 3.36Å; P277-W319 HydrophobicContact CB-CE3 4.11Å; P277-W319 HydrophobicContact CB-CH2 4.12Å; P277-W319 HydrophobicContact CB-CZ3 3.53Å; P277-W319 HydrophobicContact CG-CD2 4.39Å; P277-W319 HydrophobicContact CG-CE3 3.56Å; P277-W319 HydrophobicContact CG-CH2 4.36Å; P277-W319 HydrophobicContact CG-CZ3 3.54Å; P277-M402 HydrophobicContact CB-CE 4.14Å; P277-M402 HydrophobicContact CB-SD 3.59Å; P277-M402 VanDerWaalsContact CB-SD 3.59Å
278V68.2Low78.3Confident5 Ų526 Ų263%0.0314%0.144CC..Hα-helixtrans-65-38.3-178.8-176.90000111.4F194 Y203 I206 T276 M402F194-V278 HydrophobicContact CZ-CG1 4.25Å; Y203-V278 HydrophobicContact CD1-CG2 4.36Å; I206-V278 HydrophobicContact CG2-CG1 4.42Å; T276-V278 PolarHBondContact O-N 3.24Å; V278-M402 HydrophobicContact CG2-CE 4Å
279L77.9Confident78.4Confident0 Ų026.3 Ų26.30%015%0.146CC..Hα-helixtrans-83.8-24.8-177.9-164.772.3000113F194 F218 L222 T276 P277 C281 D282 Y283F194-L279 HydrophobicContact CE1-CB 4.07Å; F194-L279 HydrophobicContact CE1-CD1 3.94Å; F194-L279 HydrophobicContact CE1-CG 4.41Å; F194-L279 HydrophobicContact CZ-CB 4.48Å; F194-L279 HydrophobicContact CZ-CD1 4.17Å; F218-L279 HydrophobicContact CD1-CD1 4.14Å; F218-L279 HydrophobicContact CE1-CD1 4.2Å; F218-L279 HydrophobicContact CE1-CD2 4.05Å; L222-L279 HydrophobicContact CD1-CD1 3.55Å; L222-L279 HydrophobicContact CD1-CG 4.11Å; T276-L279 PolarHBondContact O-N 3.4Å; T276-L279 VanDerWaalsContact O-N 3.13Å; P277-L279 VanDerWaalsContact C-N 3.33Å; P277-L279 PolarHBondContact O-N 3.23Å; L279-C281 VanDerWaalsContact C-N 3.33Å; L279-C281 PolarHBondContact O-N 3.26Å; L279-D282 PolarHBondContact O-N 3.43Å; L279-Y283 WeakPolarHBondContact O-CB 3.46Å; L279-Y283 PolarHBondContact O-N 3.44Å
280F78.5Confident78.9Confident5 Ų521 Ų212%0.02213%0.126CC..Hα-helixtrans-54-47.7-176-179.6-89.8000112.4M275 T276 P277 Y283 M284 W319 L370 A406M275-F280 HydrophobicContact CE-CD2 3.66Å; M275-F280 HydrophobicContact CE-CE2 4.31Å; M275-F280 HydrophobicContact CE-CG 4.49Å; T276-F280 PolarHBondContact O-N 3.04Å; T276-F280 VanDerWaalsContact O-N 3.12Å; P277-F280 PolarHBondContact O-N 3.36Å; F280-Y283 PolarHBondContact O-N 3.29Å; F280-M284 HydrophobicContact CD1-CG 4.08Å; F280-M284 HydrophobicContact CD2-CE 4.22Å; F280-M284 HydrophobicContact CE1-CE 4.35Å; F280-M284 HydrophobicContact CE1-CG 3.67Å; F280-M284 HydrophobicContact CE2-CE 3.35Å; F280-M284 HydrophobicContact CE2-CG 4.17Å; F280-M284 HydrophobicContact CG-CG 4.5Å; F280-M284 HydrophobicContact CZ-CE 3.43Å; F280-M284 VanDerWaalsContact CZ-CE 3.43Å; F280-M284 HydrophobicContact CZ-CG 3.72Å; F280-M284 HydrophobicContact CZ-SD 4.33Å; F280-M284 WeakPolarHBondContact O-CB 3.45Å; F280-M284 WeakPolarHBondContact O-CG 3.05Å; F280-M284 PolarHBondContact O-N 3.49Å; F280-W319 HydrophobicContact CB-CH2 4Å; F280-W319 HydrophobicContact CB-CZ2 4.28Å; F280-W319 HydrophobicContact CD2-CH2 4.21Å; F280-W319 AromaticContact CD2-CZ2 3.98Å; F280-W319 HydrophobicContact CD2-CZ2 3.98Å; F280-W319 HydrophobicContact CG-CH2 4.12Å; F280-W319 HydrophobicContact CG-CZ2 4.32Å; F280-L370 HydrophobicContact CE2-CD2 3.94Å; F280-L370 HydrophobicContact CZ-CD2 3.76Å; F280-A406 HydrophobicContact CD1-CB 3.83Å; F280-A406 HydrophobicContact CE1-CB 3.92Å
281C80.2Confident79.2Confident30 Ų3018.5 Ų18.520%0.20311%0.106CC..Hα-helixtrans-64.2-43.7-179.2-63.20000112.1L279 A285L279-C281 VanDerWaalsContact C-N 3.33Å; L279-C281 PolarHBondContact O-N 3.26Å; C281-A285 VanDerWaalsContact O-CB 3.23Å; C281-A285 WeakPolarHBondContact O-CB 3.42Å; C281-A285 PolarHBondContact O-N 2.84Å
282D83.2Confident79.4Confident10 Ų1019.1 Ų19.15%0.05311%0.11CC..Hα-helixtrans-67.7-38.2179-68.8-60000111R219 R223 R226 L279 M286R219-D282 WeakPolarHBondContact CG-OD2 3.48Å; R219-D282 IonicContact CZ-OD2 2.75Å; R219-D282 IonicContact NE-OD2 3.24Å; R219-D282 PolarHBondContact NE-OD2 2.87Å; R219-D282 IonicContact NH2-OD2 3.53Å; R219-D282 PolarHBondContact NH2-OD2 2.88Å; R223-D282 IonicContact CZ-OD1 3.91Å; R223-D282 IonicContact NE-OD1 3.52Å; R223-D282 PolarHBondContact NE-OD1 2.78Å; R223-D282 IonicContact NE-OD2 3.33Å; R223-D282 IonicContact NH2-OD1 3.84Å; R223-D282 IonicContact NH2-OD2 3.95Å; R226-D282 IonicContact NH1-OD1 2.69Å; L279-D282 PolarHBondContact O-N 3.43Å; D282-M286 WeakPolarHBondContact O-CB 3.44Å; D282-M286 PolarHBondContact O-N 3.1Å
283Y86Confident79.8Confident3 Ų319.2 Ų19.21%0.01211%0.11CC..Hα-helixtrans-66.2-46.7175179.5-98.3000112.7I268 A272 M275 L279 F280 A285 M286 L287I268-Y283 WeakPolarHBondContact CG2-OH 3.49Å; I268-Y283 PolarHBondContact O-OH 2.86Å; A272-Y283 HydrophobicContact CB-CE1 4.31Å; A272-Y283 HydrophobicContact CB-CE2 4.27Å; M275-Y283 HydrophobicContact CE-CD1 3.52Å; M275-Y283 HydrophobicContact CE-CE1 4.06Å; M275-Y283 HydrophobicContact CE-CG 4.05Å; M275-Y283 HydrophobicContact SD-CD1 3.65Å; M275-Y283 HydrophobicContact SD-CD2 4.13Å; M275-Y283 HydrophobicContact SD-CE1 4.28Å; M275-Y283 HydrophobicContact SD-CG 3.55Å; M275-Y283 VanDerWaalsContact SD-CG 3.55Å; L279-Y283 WeakPolarHBondContact O-CB 3.46Å; L279-Y283 PolarHBondContact O-N 3.44Å; F280-Y283 PolarHBondContact O-N 3.29Å; Y283-A285 VanDerWaalsContact C-N 3.31Å; Y283-A285 PolarHBondContact O-N 3.22Å; Y283-M286 HydrophobicContact CD2-CE 3.96Å; Y283-M286 HydrophobicContact CE2-CE 3.92Å; Y283-M286 WeakPolarHBondContact O-CB 3.35Å; Y283-M286 PolarHBondContact O-N 3.18Å; Y283-L287 HydrophobicContact CD1-CD1 4.02Å; Y283-L287 HydrophobicContact CD1-CG 4.4Å; Y283-L287 HydrophobicContact CE1-CD1 3.34Å; Y283-L287 HydrophobicContact CE1-CG 3.97Å; Y283-L287 PolarHBondContact O-N 2.66Å
284M87.2Confident80.6Confident1 Ų117.9 Ų17.91%0.00511%0.11CC..Hα-helixtrans-63.7-39.3176.9-73.8-60.4171.900111.6F280 L287 T288 L370 L413F280-M284 HydrophobicContact CD1-CG 4.08Å; F280-M284 HydrophobicContact CD2-CE 4.22Å; F280-M284 HydrophobicContact CE1-CE 4.35Å; F280-M284 HydrophobicContact CE1-CG 3.67Å; F280-M284 HydrophobicContact CE2-CE 3.35Å; F280-M284 HydrophobicContact CE2-CG 4.17Å; F280-M284 HydrophobicContact CG-CG 4.5Å; F280-M284 HydrophobicContact CZ-CE 3.43Å; F280-M284 VanDerWaalsContact CZ-CE 3.43Å; F280-M284 HydrophobicContact CZ-CG 3.72Å; F280-M284 HydrophobicContact CZ-SD 4.33Å; F280-M284 WeakPolarHBondContact O-CB 3.45Å; F280-M284 WeakPolarHBondContact O-CG 3.05Å; F280-M284 PolarHBondContact O-N 3.49Å; M284-L287 PolarHBondContact O-N 2.99Å; M284-L287 HydrophobicContact SD-CD1 4.47Å; M284-T288 WeakPolarHBondContact O-CB 3.41Å; M284-T288 PolarHBondContact O-N 3.29Å; M284-T288 PolarHBondContact O-OG1 2.85Å; M284-L370 HydrophobicContact CE-CD1 3.74Å; M284-L370 HydrophobicContact CE-CD2 4.16Å; M284-L413 HydrophobicContact SD-CD2 3.79Å
285A86Confident81.4Confident25 Ų2518.2 Ų18.221%0.20711%0.108CC..Hα-helixtrans-65.1-40.1175.500000111.8R226 C281 Y283 T288 S289R226-A285 VanDerWaalsContact CD-CB 3.42Å; R226-A285 HydrophobicContact CG-CB 4.03Å; C281-A285 VanDerWaalsContact O-CB 3.23Å; C281-A285 WeakPolarHBondContact O-CB 3.42Å; C281-A285 PolarHBondContact O-N 2.84Å; Y283-A285 VanDerWaalsContact C-N 3.31Å; Y283-A285 PolarHBondContact O-N 3.22Å; A285-T288 WeakPolarHBondContact O-CB 3.39Å; A285-T288 PolarHBondContact O-N 2.91Å; A285-S289 PolarHBondContact O-N 3.44Å
286M90.5Very high82.2Confident0 Ų017.3 Ų17.30%010%0.104CC..Hα-helixtrans-61.4-45.4172.1-176.8-15869.800111.9L222 I225 R226 F267 D282 Y283 T288 S289 L290L222-M286 HydrophobicContact CD2-CE 4.43Å; L222-M286 HydrophobicContact CD2-SD 3.48Å; L222-M286 WeakPolarHBondContact CD2-SD 3.35Å; I225-M286 HydrophobicContact CB-CG 4.09Å; I225-M286 HydrophobicContact CB-SD 4.42Å; I225-M286 HydrophobicContact CD1-SD 4.33Å; I225-M286 HydrophobicContact CG2-CG 3.54Å; I225-M286 HydrophobicContact CG2-SD 3.98Å; R226-M286 HydrophobicContact CB-CB 4.46Å; F267-M286 HydrophobicContact CE1-SD 4.27Å; D282-M286 WeakPolarHBondContact O-CB 3.44Å; D282-M286 PolarHBondContact O-N 3.1Å; Y283-M286 HydrophobicContact CD2-CE 3.96Å; Y283-M286 HydrophobicContact CE2-CE 3.92Å; Y283-M286 WeakPolarHBondContact O-CB 3.35Å; Y283-M286 PolarHBondContact O-N 3.18Å; M286-T288 VanDerWaalsContact C-N 3.27Å; M286-T288 PolarHBondContact O-N 3.5Å; M286-S289 PolarHBondContact O-N 3.44Å; M286-S289 PolarHBondContact O-OG 3.15Å; M286-L290 HydrophobicContact CE-CD1 4.2Å; M286-L290 HydrophobicContact CG-CD1 4.19Å; M286-L290 WeakPolarHBondContact O-CG 3.23Å; M286-L290 PolarHBondContact O-N 3.27Å
287L88.8Confident83.1Confident2 Ų216.2 Ų16.21%0.0110%0.097CC..Hα-helixtrans-62.5-37175.4-71.7-177.3000112.1F243 I268 Y283 M284 S289 L290 A291 L304 L413F243-L287 HydrophobicContact CE1-CD2 4.17Å; F243-L287 HydrophobicContact CZ-CD2 4.03Å; I268-L287 HydrophobicContact CG2-CD2 4.16Å; Y283-L287 HydrophobicContact CD1-CD1 4.02Å; Y283-L287 HydrophobicContact CD1-CG 4.4Å; Y283-L287 HydrophobicContact CE1-CD1 3.34Å; Y283-L287 HydrophobicContact CE1-CG 3.97Å; Y283-L287 PolarHBondContact O-N 2.66Å; M284-L287 PolarHBondContact O-N 2.99Å; M284-L287 HydrophobicContact SD-CD1 4.47Å; L287-S289 VanDerWaalsContact C-N 3.32Å; L287-S289 PolarHBondContact O-N 2.69Å; L287-L290 PolarHBondContact O-N 2.96Å; L287-A291 WeakPolarHBondContact O-CB 3.37Å; L287-A291 PolarHBondContact O-N 3.32Å; L287-L304 HydrophobicContact CD1-CD2 4.2Å; L287-L413 HydrophobicContact CB-CD1 3.91Å; L287-L413 HydrophobicContact CB-CD2 4.26Å; L287-L413 HydrophobicContact CD1-CD2 4.29Å
288T89.5Confident84.1Confident32 Ų3217.4 Ų17.420%0.19610%0.101CC..Hα-helixtrans-62.1-41.1177.6-560000110.9M284 A285 M286 A291 K412 L413 A416M284-T288 WeakPolarHBondContact O-CB 3.41Å; M284-T288 PolarHBondContact O-N 3.29Å; M284-T288 PolarHBondContact O-OG1 2.85Å; A285-T288 WeakPolarHBondContact O-CB 3.39Å; A285-T288 PolarHBondContact O-N 2.91Å; M286-T288 VanDerWaalsContact C-N 3.27Å; M286-T288 PolarHBondContact O-N 3.5Å; T288-A291 PolarHBondContact O-N 2.89Å; T288-K412 HydrophobicContact CG2-CB 4.34Å; T288-L413 WeakPolarHBondContact OG1-CA 3.32Å; T288-L413 WeakPolarHBondContact OG1-CB 3.33Å; T288-L413 PolarHBondContact OG1-N 3.33Å; T288-A416 HydrophobicContact CG2-CB 3.82Å
289S87.3Confident84.8Confident8 Ų820.9 Ų20.96%0.05611%0.114CC..Hα-helixtrans-72-31.8176.873.70000113.1R226 A285 M286 L287 A291 C292R226-S289 WeakPolarHBondContact CA-OG 3.49Å; R226-S289 WeakPolarHBondContact O-CB 3.37Å; R226-S289 PolarHBondContact O-OG 2.79Å; A285-S289 PolarHBondContact O-N 3.44Å; M286-S289 PolarHBondContact O-N 3.44Å; M286-S289 PolarHBondContact O-OG 3.15Å; L287-S289 VanDerWaalsContact C-N 3.32Å; L287-S289 PolarHBondContact O-N 2.69Å; S289-A291 VanDerWaalsContact C-N 3.32Å; S289-C292 WeakPolarHBondContact O-CB 3.47Å
290L88.7Confident85.2Confident0 Ų020.9 Ų20.90%011%0.114CC..Hα-helixtrans-73.9-23.6175.8-68.3172.6000112.6I225 Y229 A239 F242 F243 M286 L287 C292 A296I225-L290 HydrophobicContact CG2-CD2 4.36Å; Y229-L290 HydrophobicContact CD1-CD2 4.37Å; Y229-L290 HydrophobicContact CD2-CD2 3.65Å; Y229-L290 HydrophobicContact CE2-CD2 4.11Å; Y229-L290 HydrophobicContact CG-CD2 3.84Å; A239-L290 HydrophobicContact CB-CB 4.45Å; A239-L290 HydrophobicContact CB-CD2 3.94Å; A239-L290 VanDerWaalsContact CB-O 3.31Å; A239-L290 WeakPolarHBondContact CB-O 3.33Å; F242-L290 HydrophobicContact CB-CD1 4.45Å; F242-L290 HydrophobicContact CD1-CD1 4.21Å; F242-L290 HydrophobicContact CD1-CD2 4.47Å; F242-L290 HydrophobicContact CD2-CD2 3.73Å; F242-L290 HydrophobicContact CE2-CD2 4Å; F242-L290 HydrophobicContact CG-CD1 4.23Å; F242-L290 HydrophobicContact CG-CD2 3.99Å; F242-L290 HydrophobicContact CZ-CD2 4.47Å; F243-L290 HydrophobicContact CE2-CB 3.82Å; F243-L290 HydrophobicContact CZ-CB 4.04Å; F243-L290 HydrophobicContact CZ-CD1 4.3Å; M286-L290 HydrophobicContact CE-CD1 4.2Å; M286-L290 HydrophobicContact CG-CD1 4.19Å; M286-L290 WeakPolarHBondContact O-CG 3.23Å; M286-L290 PolarHBondContact O-N 3.27Å; L287-L290 PolarHBondContact O-N 2.96Å; L290-C292 PolarHBondContact O-N 3.2Å; L290-A296 WeakPolarHBondContact O-CB 3.48Å
291A85.9Confident85.5Confident0 Ų020.9 Ų20.90%011%0.114CC..  trans-81.239176.800000113.2L287 T288 S289 C300 L413 M417 H420L287-A291 WeakPolarHBondContact O-CB 3.37Å; L287-A291 PolarHBondContact O-N 3.32Å; T288-A291 PolarHBondContact O-N 2.89Å; S289-A291 VanDerWaalsContact C-N 3.32Å; A291-C300 HydrophobicContact CB-CB 4.5Å; A291-L413 HydrophobicContact CB-CD1 4.44Å; A291-M417 HydrophobicContact CB-CG 4.28Å; A291-H420 PolarHBondContact O-CD2 3.11Å
292C83.8Confident85.6Confident14 Ų1422.5 Ų22.510%0.09512%0.121CC..  trans-87.92.4-170.161.80000115.9N232 S289 L290 H420N232-C292 HydrophobicContact CB-CB 4.11Å; S289-C292 WeakPolarHBondContact O-CB 3.47Å; L290-C292 PolarHBondContact O-N 3.2Å; C292-H420 PolarHBondContact O-CE1 3.42Å
293S81.9Confident85.3Confident9 Ų922.6 Ų22.66%0.06312%0.122CC..SBendtrans-143.1162.917880.20000112.3D237 Q295 A296 S297D237-S293 WeakPolarHBondContact OD1-CB 3.24Å; D237-S293 PolarHBondContact OD1-OG 3.28Å; D237-S293 VanDerWaalsContact OD1-OG 3.09Å; S293-Q295 PolarHBondContact O-N 3.01Å; S293-A296 PolarHBondContact O-N 3.37Å; S293-A296 WeakPolarHBondContact OG-CB 3.48Å; S293-A296 PolarHBondContact OG-N 3.41Å; S293-S297 WeakPolarHBondContact O-CB 3.43Å; S293-S297 PolarHBondContact O-N 3.17Å
294S84.7Confident85Confident61 Ų6122.8 Ų22.843%0.42712%0.124SC..Hα-helixtrans-57.9-39.7-178.7-175.80000112Q298 H420 N421S294-Q298 WeakPolarHBondContact O-CB 3.17Å; S294-Q298 PolarHBondContact O-N 2.97Å; S294-Q298 VanDerWaalsContact O-N 3.1Å; S294-H420 WeakPolarHBondContact CA-O 3.26Å; S294-H420 VanDerWaalsContact CB-O 3.26Å; S294-H420 WeakPolarHBondContact CB-O 3.4Å; S294-H420 PolarHBondContact OG-O 3.26Å; S294-N421 PolarHBondContact O-ND2 3.04Å
295Q83Confident84.5Confident117 Ų11724.3 Ų24.355%0.54713%0.133SC..Hα-helixtrans-73.9-47.4178.5-65.7-1767.500111.3S293 S297 Q298 R299S293-Q295 PolarHBondContact O-N 3.01Å; Q295-S297 VanDerWaalsContact C-N 3.3Å; Q295-S297 PolarHBondContact O-N 3.4Å; Q295-Q298 PolarHBondContact O-N 3.21Å; Q295-R299 VanDerWaalsContact O-CG 3.24Å; Q295-R299 WeakPolarHBondContact O-CG 3.18Å; Q295-R299 PolarHBondContact O-N 2.8Å
296A84.2Confident83.5Confident0 Ų025.7 Ų25.70%014%0.144CC..Hα-helixtrans-62.8-38.9179.400000111.6L290 S293 R299 C300L290-A296 WeakPolarHBondContact O-CB 3.48Å; S293-A296 PolarHBondContact O-N 3.37Å; S293-A296 WeakPolarHBondContact OG-CB 3.48Å; S293-A296 PolarHBondContact OG-N 3.41Å; A296-R299 PolarHBondContact O-N 3.49Å; A296-C300 WeakPolarHBondContact O-CB 3.37Å; A296-C300 PolarHBondContact O-N 3.32Å
297S85.5Confident82.2Confident0 Ų026.9 Ų26.90%015%0.15CC..Hα-helixtrans-61.5-47.3172.7165.40000112.3S293 Q295 R299 C300 F301 M417S293-S297 WeakPolarHBondContact O-CB 3.43Å; S293-S297 PolarHBondContact O-N 3.17Å; Q295-S297 VanDerWaalsContact C-N 3.3Å; Q295-S297 PolarHBondContact O-N 3.4Å; S297-R299 VanDerWaalsContact C-N 3.34Å; S297-R299 PolarHBondContact O-N 3.19Å; S297-C300 PolarHBondContact O-N 3.35Å; S297-F301 WeakPolarHBondContact O-CB 3.49Å; S297-F301 PolarHBondContact O-N 3.02Å; S297-M417 VanDerWaalsContact OG-CA 3.23Å; S297-M417 WeakPolarHBondContact OG-CA 3.49Å; S297-M417 PolarHBondContact OG-O 2.97Å
298Q86.2Confident80.3Confident43 Ų4328.8 Ų28.820%0.20116%0.163CC..Hα-helixtrans-57.6-49.1176.1-171.864.339.900110.6S294 Q295 C300 F301 D302 N421S294-Q298 WeakPolarHBondContact O-CB 3.17Å; S294-Q298 PolarHBondContact O-N 2.97Å; S294-Q298 VanDerWaalsContact O-N 3.1Å; Q295-Q298 PolarHBondContact O-N 3.21Å; Q298-C300 PolarHBondContact O-N 3.4Å; Q298-F301 WeakPolarHBondContact O-CB 3.19Å; Q298-F301 PolarHBondContact O-N 3.07Å; Q298-D302 PolarHBondContact NE2-OD1 3.14Å; Q298-D302 WeakPolarHBondContact O-CB 3.47Å; Q298-D302 PolarHBondContact O-N 3.17Å; Q298-N421 WeakPolarHBondContact CB-ND2 3.28Å; Q298-N421 PolarHBondContact OE1-ND2 3.29Å
299R82.3Confident78.2Confident79 Ų7931.3 Ų31.330%0.29818%0.182SC..Hα-helixtrans-68.9-35.2-177.4-61.7-68.4-173.6168.60.1112.2F243 E247 Q295 A296 S297 D302 A303F243-R299 HydrophobicContact CB-CB 3.56Å; F243-R299 HydrophobicContact CG-CB 4.27Å; E247-R299 IonicContact OE1-CZ 3.32Å; E247-R299 IonicContact OE1-NH1 3.66Å; E247-R299 PolarHBondContact OE1-NH1 3.23Å; E247-R299 IonicContact OE1-NH2 2.92Å; E247-R299 PolarHBondContact OE1-NH2 3.4Å; E247-R299 IonicContact OE2-CZ 3.48Å; E247-R299 IonicContact OE2-NH2 3.75Å; E247-R299 PolarHBondContact OE2-NH2 2.82Å; Q295-R299 VanDerWaalsContact O-CG 3.24Å; Q295-R299 WeakPolarHBondContact O-CG 3.18Å; Q295-R299 PolarHBondContact O-N 2.8Å; A296-R299 PolarHBondContact O-N 3.49Å; S297-R299 VanDerWaalsContact C-N 3.34Å; S297-R299 PolarHBondContact O-N 3.19Å; R299-D302 PolarHBondContact O-N 3.01Å; R299-A303 VanDerWaalsContact O-CB 3.23Å; R299-A303 WeakPolarHBondContact O-CB 3.27Å; R299-A303 PolarHBondContact O-N 3.19Å
300C86.1Confident75.7Confident0 Ų039.8 Ų39.80%021%0.214CC..Hα-helixtrans-63.3-46.8172.2-173.60000110.6F243 A291 A296 S297 Q298 A303 L304F243-C300 HydrophobicContact CD2-CB 4.43Å; F243-C300 HydrophobicContact CE1-CB 4.11Å; F243-C300 HydrophobicContact CE2-CB 3.94Å; F243-C300 HydrophobicContact CZ-CB 3.77Å; A291-C300 HydrophobicContact CB-CB 4.5Å; A296-C300 WeakPolarHBondContact O-CB 3.37Å; A296-C300 PolarHBondContact O-N 3.32Å; S297-C300 PolarHBondContact O-N 3.35Å; Q298-C300 PolarHBondContact O-N 3.4Å; C300-A303 PolarHBondContact O-N 3.19Å; C300-L304 WeakPolarHBondContact O-CB 3.1Å; C300-L304 VanDerWaalsContact O-CG 3.27Å; C300-L304 WeakPolarHBondContact O-CG 3.26Å; C300-L304 PolarHBondContact O-N 3.43Å
301F85.2Confident73.1Confident4 Ų446.5 Ų46.52%0.01826%0.255CS..Hα-helixtrans-58.7-49.9174176.3-96.4000111.3S297 Q298 A303 L304 V305 L367 M417 V424 I427 I428 W434S297-F301 WeakPolarHBondContact O-CB 3.49Å; S297-F301 PolarHBondContact O-N 3.02Å; Q298-F301 WeakPolarHBondContact O-CB 3.19Å; Q298-F301 PolarHBondContact O-N 3.07Å; F301-A303 VanDerWaalsContact C-N 3.32Å; F301-A303 PolarHBondContact O-N 3.21Å; F301-L304 PolarHBondContact O-N 3.22Å; F301-V305 HydrophobicContact CD1-CG2 4.18Å; F301-V305 HydrophobicContact CD2-CG2 4.37Å; F301-V305 HydrophobicContact CE1-CG2 3.8Å; F301-V305 HydrophobicContact CE2-CG2 4.01Å; F301-V305 HydrophobicContact CG-CG2 4.45Å; F301-V305 HydrophobicContact CZ-CG2 3.7Å; F301-V305 WeakPolarHBondContact O-CB 3.38Å; F301-V305 VanDerWaalsContact O-CG2 3.3Å; F301-V305 WeakPolarHBondContact O-CG2 3.4Å; F301-V305 PolarHBondContact O-N 3.09Å; F301-L367 HydrophobicContact CD2-CD1 3.57Å; F301-L367 HydrophobicContact CE2-CD1 3.72Å; F301-M417 HydrophobicContact CB-SD 4.13Å; F301-V424 HydrophobicContact CB-CG1 4.1Å; F301-V424 HydrophobicContact CB-CG2 3.97Å; F301-V424 HydrophobicContact CD1-CG2 4.3Å; F301-V424 HydrophobicContact CD2-CG1 3.63Å; F301-V424 HydrophobicContact CE2-CG1 4.2Å; F301-V424 HydrophobicContact CG-CG1 3.87Å; F301-V424 HydrophobicContact CG-CG2 4.07Å; F301-I427 HydrophobicContact CE1-CD1 4.24Å; F301-I427 HydrophobicContact CE1-CG2 4.22Å; F301-I427 HydrophobicContact CZ-CB 4.31Å; F301-I427 HydrophobicContact CZ-CG2 3.63Å; F301-I428 HydrophobicContact CD2-CD1 4.39Å; F301-I428 HydrophobicContact CE2-CD1 4.28Å; F301-I428 HydrophobicContact CE2-CG1 3.95Å; F301-W434 HydrophobicContact CE2-CH2 4.01Å; F301-W434 HydrophobicContact CE2-CZ3 4.2Å; F301-W434 HydrophobicContact CZ-CH2 4.18Å
302D81.9Confident70.6Confident65 Ų6554.6 Ų54.635%0.34829%0.293SS..Hα-helixtrans-61.9-39.2178.8-66.9-22.2000111.4Q298 R299 V305 A306Q298-D302 PolarHBondContact NE2-OD1 3.14Å; Q298-D302 WeakPolarHBondContact O-CB 3.47Å; Q298-D302 PolarHBondContact O-N 3.17Å; R299-D302 PolarHBondContact O-N 3.01Å; D302-V305 PolarHBondContact O-N 3.38Å; D302-A306 WeakPolarHBondContact O-CA 3.45Å; D302-A306 WeakPolarHBondContact O-CB 3.34Å; D302-A306 PolarHBondContact O-N 3.09Å
303A77.8Confident68.3Low11 Ų1155.3 Ų55.39%0.09130%0.298CS..Hα-helixtrans-63.1-46.7175.300000111.5F243 F265 R299 C300 F301 V305 A306 F307F243-A303 HydrophobicContact CD1-CB 4.22Å; F265-A303 HydrophobicContact CE2-CB 4.03Å; R299-A303 VanDerWaalsContact O-CB 3.23Å; R299-A303 WeakPolarHBondContact O-CB 3.27Å; R299-A303 PolarHBondContact O-N 3.19Å; C300-A303 PolarHBondContact O-N 3.19Å; F301-A303 VanDerWaalsContact C-N 3.32Å; F301-A303 PolarHBondContact O-N 3.21Å; A303-V305 VanDerWaalsContact C-N 3.31Å; A303-V305 PolarHBondContact O-N 3.44Å; A303-A306 PolarHBondContact O-N 2.87Å; A303-F307 WeakPolarHBondContact O-CD2 3.16Å; A303-F307 WeakPolarHBondContact O-CG 3.32Å; A303-F307 PolarHBondContact O-N 2.79Å; A303-F307 VanDerWaalsContact O-N 3.07Å
304L78.7Confident66.1Low7 Ų765.1 Ų65.14%0.03733%0.333CS..Hα-helixtrans-69.1-27.2179.3-66.4169.7000113.3L287 C300 F301 F307 L367 L413 M417L287-L304 HydrophobicContact CD1-CD2 4.2Å; C300-L304 WeakPolarHBondContact O-CB 3.1Å; C300-L304 VanDerWaalsContact O-CG 3.27Å; C300-L304 WeakPolarHBondContact O-CG 3.26Å; C300-L304 PolarHBondContact O-N 3.43Å; F301-L304 PolarHBondContact O-N 3.22Å; L304-F307 HydrophobicContact CD2-CD2 4.38Å; L304-F307 HydrophobicContact CD2-CE2 4.26Å; L304-L367 HydrophobicContact CB-CD1 3.92Å; L304-L367 HydrophobicContact CB-CG 3.81Å; L304-L367 HydrophobicContact CD1-CD1 4.47Å; L304-L367 HydrophobicContact CD1-CD2 4.42Å; L304-L367 HydrophobicContact CD1-CG 4.29Å; L304-L367 PolarHBondContact O-N 2.82Å; L304-L413 HydrophobicContact CD1-CD2 4.02Å; L304-M417 HydrophobicContact CD1-SD 4.39Å
305V76.7Confident63.9Low34 Ų3467 Ų6721%0.20633%0.331CS..Hα-helixtrans-80.6-44.3171.3174.70000111.1F301 D302 A303 F307 S308 L367F301-V305 HydrophobicContact CD1-CG2 4.18Å; F301-V305 HydrophobicContact CD2-CG2 4.37Å; F301-V305 HydrophobicContact CE1-CG2 3.8Å; F301-V305 HydrophobicContact CE2-CG2 4.01Å; F301-V305 HydrophobicContact CG-CG2 4.45Å; F301-V305 HydrophobicContact CZ-CG2 3.7Å; F301-V305 WeakPolarHBondContact O-CB 3.38Å; F301-V305 VanDerWaalsContact O-CG2 3.3Å; F301-V305 WeakPolarHBondContact O-CG2 3.4Å; F301-V305 PolarHBondContact O-N 3.09Å; D302-V305 PolarHBondContact O-N 3.38Å; A303-V305 VanDerWaalsContact C-N 3.31Å; A303-V305 PolarHBondContact O-N 3.44Å; V305-F307 PolarHBondContact O-N 3.23Å; V305-S308 WeakPolarHBondContact O-CA 3.37Å; V305-S308 WeakPolarHBondContact O-CB 3.36Å; V305-S308 PolarHBondContact O-N 3.19Å; V305-S308 PolarHBondContact O-OG 2.96Å; V305-L367 HydrophobicContact CG2-CD1 4.04Å
306A65.3Low62Low53 Ų5362.3 Ų62.344%0.43831%0.311SS..Hα-helixtrans-66.4-24.4-177.200000112.6D302 A303 S308 S309D302-A306 WeakPolarHBondContact O-CA 3.45Å; D302-A306 WeakPolarHBondContact O-CB 3.34Å; D302-A306 PolarHBondContact O-N 3.09Å; A303-A306 PolarHBondContact O-N 2.87Å; A306-S308 PolarHBondContact O-N 2.95Å; A306-S309 PolarHBondContact O-N 3.28Å; A306-S309 PolarHBondContact O-OG 2.89Å
307F62.8Low60.1Low26 Ų2663.7 Ų63.711%0.11432%0.318CS..THydrogen-bonded Turntrans-55.1-13.5165.7-66.6-36.2000113.4F265 R269 A303 L304 V305 N364 T366F265-F307 HydrophobicContact CZ-CE1 4.42Å; R269-F307 HydrophobicContact CG-CE1 4.37Å; A303-F307 WeakPolarHBondContact O-CD2 3.16Å; A303-F307 WeakPolarHBondContact O-CG 3.32Å; A303-F307 PolarHBondContact O-N 2.79Å; A303-F307 VanDerWaalsContact O-N 3.07Å; L304-F307 HydrophobicContact CD2-CD2 4.38Å; L304-F307 HydrophobicContact CD2-CE2 4.26Å; V305-F307 PolarHBondContact O-N 3.23Å; F307-N364 HydrophobicContact CB-CB 3.99Å; F307-N364 HydrophobicContact CD1-CB 4.09Å; F307-N364 WeakPolarHBondContact CD1-ND2 3.27Å; F307-N364 HydrophobicContact CD2-CB 4.29Å; F307-N364 VanDerWaalsContact CE1-ND2 3.33Å; F307-N364 WeakPolarHBondContact CE1-ND2 3.23Å; F307-N364 HydrophobicContact CG-CB 3.88Å; F307-T366 HydrophobicContact CB-CG2 3.74Å
308S48.1Very low58.2Low42 Ų4268 Ų6829%0.29433%0.334SS..THydrogen-bonded Turntrans-89.8-12.4174.977.50000116.3V305 A306 Y310V305-S308 WeakPolarHBondContact O-CA 3.37Å; V305-S308 WeakPolarHBondContact O-CB 3.36Å; V305-S308 PolarHBondContact O-N 3.19Å; V305-S308 PolarHBondContact O-OG 2.96Å; A306-S308 PolarHBondContact O-N 2.95Å; S308-Y310 VanDerWaalsContact C-N 3.29Å; S308-Y310 PolarHBondContact O-N 3.47Å
309S45.7Very low56.5Low85 Ų8569.6 Ų69.659%0.59434%0.338SS*.  trans-80.4-3.7-170.863.30000114.9A306A306-S309 PolarHBondContact O-N 3.28Å; A306-S309 PolarHBondContact O-OG 2.89Å
310Y35.5Very low54.9Low186 Ų18667 Ų6773%0.72933%0.33SS*.SBendtrans-94.5109.4168.2-82.5-92.8000110.1S308 E312S308-Y310 VanDerWaalsContact C-N 3.29Å; S308-Y310 PolarHBondContact O-N 3.47Å; Y310-E312 PolarHBondContact O-N 3.27Å
311V33.6Very low53.1Low141 Ų14171.8 Ų71.886%0.85535%0.349SS*.THydrogen-bonded Turntrans-55.991.4178.2178.80000110
312E33.5Very low51.2Low170 Ų17073.7 Ų73.779%0.79436%0.363SS*.THydrogen-bonded Turntrans177.56.9154.5-102.6171.8-162.500115.4Y310 R314Y310-E312 PolarHBondContact O-N 3.27Å; E312-R314 VanDerWaalsContact C-N 3.27Å; E312-R314 PolarHBondContact O-N 3.5Å
313C36.1Very low49.5Very low29 Ų2974.2 Ų74.220%0.19636%0.362CS..  trans-78.951.1-172.6-1250000115.3R315 S316 Q363 H369C313-R315 VanDerWaalsContact C-N 3.25Å; C313-R315 PolarHBondContact O-N 2.81Å; C313-S316 PolarHBondContact SG-OG 3.45Å; C313-Q363 PolarHBondContact SG-O 3.07Å; C313-Q363 VanDerWaalsContact SG-O 3.39Å; C313-H369 PolarHBondContact O-NE2 3.37Å; C313-H369 VanDerWaalsContact O-NE2 3.09Å
314R35.6Very low48.1Very low215 Ų21574.5 Ų74.581%0.81136%0.362SS*.SBendtrans-81.86.2168.7-84.5-168.5-177.8-170.61.7113.5E312E312-R314 VanDerWaalsContact C-N 3.27Å; E312-R314 PolarHBondContact O-N 3.5Å
315R38.5Very low46.4Very low101 Ų10177.4 Ų77.438%0.38138%0.378SS..  trans-127.15.1-160.7-68.7-176175.9168.94.3117.8C313 L362C313-R315 VanDerWaalsContact C-N 3.25Å; C313-R315 PolarHBondContact O-N 2.81Å; R315-L362 VanDerWaalsContact O-CD2 3.27Å; R315-L362 WeakPolarHBondContact O-CD2 3.23Å
316S42.5Very low44.8Very low18 Ų1881.3 Ų81.313%0.12639%0.393CS..  trans-116.692.8-169.547.40000116C313 Q363 H369C313-S316 PolarHBondContact SG-OG 3.45Å; S316-Q363 WeakPolarHBondContact CB-O 3.24Å; S316-Q363 PolarHBondContact OG-O 3.37Å; S316-H369 PolarHBondContact OG-CE1 3.36Å; S316-H369 PolarHBondContact OG-ND1 2.69Å
317M45.5Very low43.8Very low28 Ų2880.7 Ų80.714%0.13839%0.386CS..  trans171.535.2148-90.1-116.2-78.300109.1W319 L320 Y321 H369 L370 A373M317-W319 PolarHBondContact O-N 3.46Å; M317-L320 HydrophobicContact CE-CB 4.36Å; M317-L320 HydrophobicContact CE-CD2 3.85Å; M317-L320 PolarHBondContact O-N 2.76Å; M317-L320 HydrophobicContact SD-CB 3.9Å; M317-L320 HydrophobicContact SD-CD1 4.33Å; M317-L320 HydrophobicContact SD-CD2 4.4Å; M317-L320 HydrophobicContact SD-CG 4.44Å; M317-Y321 WeakPolarHBondContact O-CB 3.43Å; M317-Y321 PolarHBondContact O-N 3.47Å; M317-H369 HydrophobicContact CG-CB 4.29Å; M317-L370 HydrophobicContact CE-CD2 3.66Å; M317-L370 HydrophobicContact CE-CG 4.3Å; M317-L370 HydrophobicContact SD-CD2 4.3Å; M317-A373 HydrophobicContact CE-CB 3.48Å; M317-A373 VanDerWaalsContact CE-CB 3.48Å
318R44.7Very low42.7Very low90 Ų9081 Ų8134%0.3439%0.393SS..Hα-helixtrans-61.2-29.7-175.8-82.8-173.7-179.9153.42112.7S322 H347R318-S322 WeakPolarHBondContact O-CA 3.31Å; R318-S322 WeakPolarHBondContact O-CB 3.43Å; R318-S322 PolarHBondContact O-N 3.23Å; R318-H347 PolarHBondContact NH2-CD2 3.12Å; R318-H347 VanDerWaalsContact NH2-CD2 3.26Å; R318-H347 PolarHBondContact NH2-NE2 3.34Å
319W50.5Low42.4Very low77 Ų7781.5 Ų81.529%0.29240%0.4SS..Hα-helixtrans-73-40.1176.970.5-95.2000111.9P277 F280 M317 Y321 S322 F323P277-W319 HydrophobicContact CB-CE3 4.11Å; P277-W319 HydrophobicContact CB-CH2 4.12Å; P277-W319 HydrophobicContact CB-CZ3 3.53Å; P277-W319 HydrophobicContact CG-CD2 4.39Å; P277-W319 HydrophobicContact CG-CE3 3.56Å; P277-W319 HydrophobicContact CG-CH2 4.36Å; P277-W319 HydrophobicContact CG-CZ3 3.54Å; F280-W319 HydrophobicContact CB-CH2 4Å; F280-W319 HydrophobicContact CB-CZ2 4.28Å; F280-W319 HydrophobicContact CD2-CH2 4.21Å; F280-W319 AromaticContact CD2-CZ2 3.98Å; F280-W319 HydrophobicContact CD2-CZ2 3.98Å; F280-W319 HydrophobicContact CG-CH2 4.12Å; F280-W319 HydrophobicContact CG-CZ2 4.32Å; M317-W319 PolarHBondContact O-N 3.46Å; W319-Y321 VanDerWaalsContact C-N 3.31Å; W319-S322 PolarHBondContact O-N 2.79Å; W319-F323 WeakPolarHBondContact O-CA 3.49Å; W319-F323 WeakPolarHBondContact O-CB 3.21Å; W319-F323 PolarHBondContact O-N 3.22Å
320L48.4Very low42.1Very low25 Ų2586.4 Ų86.413%0.13141%0.411CS..Hα-helixtrans-68.6-38.6176.3-157.1116.3000109.7M317 I324 A373M317-L320 HydrophobicContact CE-CB 4.36Å; M317-L320 HydrophobicContact CE-CD2 3.85Å; M317-L320 PolarHBondContact O-N 2.76Å; M317-L320 HydrophobicContact SD-CB 3.9Å; M317-L320 HydrophobicContact SD-CD1 4.33Å; M317-L320 HydrophobicContact SD-CD2 4.4Å; M317-L320 HydrophobicContact SD-CG 4.44Å; L320-I324 HydrophobicContact CD2-CD1 3.61Å; L320-I324 HydrophobicContact CG-CD1 4.06Å; L320-I324 VanDerWaalsContact O-CB 3.25Å; L320-I324 WeakPolarHBondContact O-CB 3.42Å; L320-I324 VanDerWaalsContact O-CD1 3.3Å; L320-I324 WeakPolarHBondContact O-CD1 3.02Å; L320-I324 WeakPolarHBondContact O-CG1 3.42Å; L320-I324 PolarHBondContact O-N 2.84Å; L320-A373 HydrophobicContact CD2-CB 3.83Å
321Y48.1Very low42.2Very low100 Ų10083.5 Ų83.539%0.39240%0.404SS..Hα-helixtrans-68.9-35.8174.7-153.7-100.7000113.5M317 W319 N325 K376M317-Y321 WeakPolarHBondContact O-CB 3.43Å; M317-Y321 PolarHBondContact O-N 3.47Å; W319-Y321 VanDerWaalsContact C-N 3.31Å; Y321-N325 VanDerWaalsContact CD1-ND2 3.32Å; Y321-N325 WeakPolarHBondContact CD1-ND2 3.34Å; Y321-N325 WeakPolarHBondContact CE1-ND2 3.47Å; Y321-N325 VanDerWaalsContact O-CB 3.29Å; Y321-N325 WeakPolarHBondContact O-CB 3.38Å; Y321-N325 PolarHBondContact O-N 3.49Å; Y321-N325 PolarHBondContact O-ND2 3.44Å; Y321-K376 HydrophobicContact CD2-CD 4.41Å; Y321-K376 HydrophobicContact CE2-CB 4.06Å; Y321-K376 HydrophobicContact CE2-CD 3.28Å; Y321-K376 HydrophobicContact CE2-CG 4.3Å; Y321-K376 VanDerWaalsContact OH-CD 3.31Å; Y321-K376 WeakPolarHBondContact OH-CD 3.46Å; Y321-K376 PolarHBondContact OH-NZ 3.23Å
322S46.1Very low42.4Very low45 Ų4581.6 Ų81.632%0.31539%0.393SS..Hα-helixtrans-74.6-43.5175.5-165.10000109.9R318 W319 I324 N325 E326R318-S322 WeakPolarHBondContact O-CA 3.31Å; R318-S322 WeakPolarHBondContact O-CB 3.43Å; R318-S322 PolarHBondContact O-N 3.23Å; W319-S322 PolarHBondContact O-N 2.79Å; S322-I324 PolarHBondContact O-N 3.49Å; S322-N325 CarbonylContact O-C 3.36Å; S322-N325 PolarHBondContact O-N 2.89Å; S322-N325 VanDerWaalsContact O-N 3.11Å; S322-E326 WeakPolarHBondContact O-CA 3.23Å; S322-E326 WeakPolarHBondContact O-CB 3.39Å; S322-E326 VanDerWaalsContact O-CG 3.32Å; S322-E326 WeakPolarHBondContact O-CG 3.43Å; S322-E326 PolarHBondContact O-N 2.73Å; S322-E326 PolarHBondContact OG-OE2 2.8Å
323F46.5Very low42.3Very low76 Ų7677.3 Ų77.333%0.33339%0.394SS..Hα-helixtrans-61.2-46.6177.3-166.5-93.5000111.3W319 N325 S327 M402 E403W319-F323 WeakPolarHBondContact O-CA 3.49Å; W319-F323 WeakPolarHBondContact O-CB 3.21Å; W319-F323 PolarHBondContact O-N 3.22Å; F323-N325 VanDerWaalsContact C-N 3.3Å; F323-N325 PolarHBondContact O-N 2.88Å; F323-S327 VanDerWaalsContact O-CB 3.28Å; F323-S327 WeakPolarHBondContact O-CB 3.18Å; F323-S327 PolarHBondContact O-N 3.5Å; F323-S327 PolarHBondContact O-OG 3.12Å; F323-M402 HydrophobicContact CZ-SD 4.32Å; F323-E403 HydrophobicContact CD1-CG 3.89Å; F323-E403 HydrophobicContact CE1-CG 3.76Å
324I47.7Very low42.1Very low17 Ų1786.2 Ų86.29%0.08742%0.424CS..Hα-helixtrans-64.8-30.1175.1-68.9166.3000112.2L320 S322 S327 Y377L320-I324 HydrophobicContact CD2-CD1 3.61Å; L320-I324 HydrophobicContact CG-CD1 4.06Å; L320-I324 VanDerWaalsContact O-CB 3.25Å; L320-I324 WeakPolarHBondContact O-CB 3.42Å; L320-I324 VanDerWaalsContact O-CD1 3.3Å; L320-I324 WeakPolarHBondContact O-CD1 3.02Å; L320-I324 WeakPolarHBondContact O-CG1 3.42Å; L320-I324 PolarHBondContact O-N 2.84Å; S322-I324 PolarHBondContact O-N 3.49Å; I324-S327 PolarHBondContact O-OG 2.69Å; I324-Y377 HydrophobicContact CD1-CD2 3.86Å; I324-Y377 HydrophobicContact CG1-CD2 4.09Å; I324-Y377 HydrophobicContact CG1-CE2 4.42Å; I324-Y377 HydrophobicContact CG2-CD2 3.77Å; I324-Y377 HydrophobicContact CG2-CE2 4.3Å
325N43.7Very low41.9Very low68 Ų6885.8 Ų85.836%0.36443%0.428SS..Hα-helixtrans-93.5-27.1179.5-77.6-50.6000114.2Y321 S322 F323 A329Y321-N325 VanDerWaalsContact CD1-ND2 3.32Å; Y321-N325 WeakPolarHBondContact CD1-ND2 3.34Å; Y321-N325 WeakPolarHBondContact CE1-ND2 3.47Å; Y321-N325 VanDerWaalsContact O-CB 3.29Å; Y321-N325 WeakPolarHBondContact O-CB 3.38Å; Y321-N325 PolarHBondContact O-N 3.49Å; Y321-N325 PolarHBondContact O-ND2 3.44Å; S322-N325 CarbonylContact O-C 3.36Å; S322-N325 PolarHBondContact O-N 2.89Å; S322-N325 VanDerWaalsContact O-N 3.11Å; F323-N325 VanDerWaalsContact C-N 3.3Å; F323-N325 PolarHBondContact O-N 2.88Å; N325-A329 PolarHBondContact O-N 3.2Å
326E42.6Very low41.4Very low115 Ų11585.4 Ų85.454%0.53745%0.446SS..Hα-helixtrans-81.6-33.2178.7-77.6175.7140.900110.4S322 A328 A329 F330S322-E326 WeakPolarHBondContact O-CA 3.23Å; S322-E326 WeakPolarHBondContact O-CB 3.39Å; S322-E326 VanDerWaalsContact O-CG 3.32Å; S322-E326 WeakPolarHBondContact O-CG 3.43Å; S322-E326 PolarHBondContact O-N 2.73Å; S322-E326 PolarHBondContact OG-OE2 2.8Å; E326-A328 PolarHBondContact O-N 2.83Å; E326-A329 PolarHBondContact O-N 3.37Å; E326-F330 PolarHBondContact O-N 3.38Å
327S44.7Very low40.9Very low41 Ų4189.8 Ų89.829%0.28748%0.477SS..THydrogen-bonded Turntrans-60.7-33.8167.965.70000111.4F323 I324 E403F323-S327 VanDerWaalsContact O-CB 3.28Å; F323-S327 WeakPolarHBondContact O-CB 3.18Å; F323-S327 PolarHBondContact O-N 3.5Å; F323-S327 PolarHBondContact O-OG 3.12Å; I324-S327 PolarHBondContact O-OG 2.69Å; S327-E403 PolarHBondContact OG-OE1 3.43Å
328A40Very low40.1Very low32 Ų3293.8 Ų93.826%0.26451%0.508SS..THydrogen-bonded Turntrans-76.5-21.4172.600000114.6E326 M397E326-A328 PolarHBondContact O-N 2.83Å; A328-M397 HydrophobicContact CB-CE 3.95Å
329A40Very low39.3Very low53 Ų5393.8 Ų93.844%0.43853%0.527SS..THydrogen-bonded Turntrans-88.3-28.6-18000000113N325 E326 E331 T332N325-A329 PolarHBondContact O-N 3.2Å; E326-A329 PolarHBondContact O-N 3.37Å; A329-E331 VanDerWaalsContact C-N 3.27Å; A329-E331 PolarHBondContact O-N 3.19Å; A329-T332 PolarHBondContact O-N 3.15Å; A329-T332 VanDerWaalsContact O-N 3.17Å; A329-T332 PolarHBondContact O-OG1 3Å
330F40.3Very low38.3Very low188 Ų18897.2 Ų97.283%0.82555%0.55SS**THydrogen-bonded Turntrans-65.9-21.8-172.8-124.2-93.2000114.7E326E326-F330 PolarHBondContact O-N 3.38Å
331E38.2Very low37.3Very low125 Ų125106.4 Ų106.458%0.58459%0.585SS**THydrogen-bonded Turntrans-88.5-7.6178.4-68.9-172.8154.600113.7A329 G333A329-E331 VanDerWaalsContact C-N 3.27Å; A329-E331 PolarHBondContact O-N 3.19Å; E331-G333 VanDerWaalsContact C-N 3.3Å; E331-G333 PolarHBondContact O-N 3.29Å
332T37.2Very low36.3Very low101 Ų101103.8 Ų103.862%0.6259%0.588SS**SBendtrans-90.732.9178.8630000114.1A329 R334A329-T332 PolarHBondContact O-N 3.15Å; A329-T332 VanDerWaalsContact O-N 3.17Å; A329-T332 PolarHBondContact O-OG1 3Å; T332-R334 PolarHBondContact O-N 3.44Å
333G32Very low35.4Very low79 Ų79110.2 Ų110.281%0.81462%0.615SS**  trans5119.6157.200000118.5E331E331-G333 VanDerWaalsContact C-N 3.3Å; E331-G333 PolarHBondContact O-N 3.29Å
334R30.7Very low34.6Very low217 Ų217110.9 Ų110.982%0.81963%0.626SS**  trans-128.6124.2179.3-74.1-175177179.60.7109.1T332T332-R334 PolarHBondContact O-N 3.44Å
335F31.5Very low33.8Very low206 Ų206112.4 Ų112.490%0.90463%0.633SS**  trans93.474.5-178.7-58.9-76.6000116.2
336A28.5Very low33.1Very low92 Ų92115.5 Ų115.576%0.7665%0.649SS**  trans-79.2156.3146.900000110.5
337S32.2Very low32.6Very low111 Ų111112.5 Ų112.578%0.77664%0.635SS**  trans81.4102.2168.882.90000118.9
338S28Very low31.9Very low111 Ų111116.5 Ų116.578%0.77666%0.662SS**  34135.6128.5630000120.6
339A27.5Very low31.7Very low91 Ų91119.1 Ų119.175%0.75267%0.671SS**  trans88.2108.1156.400000117.1
340L29.7Very low31.5Very low148 Ų148125 Ų12578%0.77570%0.695SS**  trans152.2109.6140.2-81.9155.5000108
341Y28.2Very low31.3Very low218 Ų218124.1 Ų124.186%0.85570%0.699SS**  50.2106.1103.2-88.1-94.9000113.4
342G26.9Very low31.1Very low45 Ų45120.6 Ų120.646%0.46470%0.697SS.*  trans54.778.4149.100000115.9V344G342-V344 PolarHBondContact O-N 3.27Å
343M28.2Very low30.8Very low180 Ų180121.9 Ų121.989%0.88770%0.699SS**  trans-88.298.9162-77.1176.9122.900107.9
344V29Very low30.7Very low91 Ų91128.2 Ų128.255%0.55270%0.698SS**  5585.286.7-176.30000109.8G342 L346 L355G342-V344 PolarHBondContact O-N 3.27Å; V344-L346 PolarHBondContact O-N 3.47Å; V344-L355 HydrophobicContact CG1-CD2 3.94Å
345I31.4Very low30.7Very low49 Ų49124.4 Ų124.425%0.25169%0.693SS.*  trans-62.8108.4169-68165.2000107.9
346L28.5Very low30.9Very low133 Ų133117.3 Ų117.370%0.69667%0.666SS**  trans-88.8103.6165.9-72.6166.8000108.3V344 I353V344-L346 PolarHBondContact O-N 3.47Å; L346-I353 HydrophobicContact CD2-CG2 4.33Å
347H31.1Very low31Very low51 Ų51118 Ų11824%0.23666%0.663CS.*  trans-87.4124.7162.9-121.3-58000107.7R318 D349R318-H347 PolarHBondContact NH2-CD2 3.12Å; R318-H347 VanDerWaalsContact NH2-CD2 3.26Å; R318-H347 PolarHBondContact NH2-NE2 3.34Å; H347-D349 IonicContact CE1-OD1 2.86Å; H347-D349 IonicContact ND1-OD1 3.65Å; H347-D349 PolarHBondContact ND1-OD1 3.16Å
348C30.8Very low30.7Very low125 Ų125121.9 Ų121.985%0.84567%0.666SS**  trans-109.394.4165.9-142.60000106.5
349D36.2Very low30.9Very low88 Ų88120.1 Ų120.147%0.47167%0.666SS.*  trans-104.9156.2160.6-67.41.8000106.1H347 D351 G352H347-D349 IonicContact CE1-OD1 2.86Å; H347-D349 IonicContact ND1-OD1 3.65Å; H347-D349 PolarHBondContact ND1-OD1 3.16Å; D349-D351 PolarHBondContact O-N 3.47Å; D349-G352 PolarHBondContact O-N 3.46Å
350D36.4Very low31.4Very low176 Ų176118.3 Ų118.394%0.94165%0.647SS**THydrogen-bonded Turntrans-55.9-7.1-172.2-67.3-40.4000115.5
351D36.2Very low31.7Very low169 Ų169119.4 Ų119.490%0.90465%0.648SS**THydrogen-bonded Turntrans-114.714.6-173.9-74.5-37.3000116.1D349D349-D351 PolarHBondContact O-N 3.47Å
352G33Very low32.2Very low52 Ų52113.3 Ų113.354%0.53663%0.63SS.*  trans100.5162.4167.600000117.2D349 R354D349-G352 PolarHBondContact O-N 3.46Å; G352-R354 PolarHBondContact O-N 2.96Å
353I30.9Very low33.3Very low128 Ų128115.1 Ų115.166%0.65663%0.627SS**  trans-78.4117.9-163.3-55.9169.5000111.5L346L346-I353 HydrophobicContact CD2-CG2 4.33Å
354R30.6Very low34.5Very low211 Ų211107.1 Ų107.180%0.79659%0.588SS**  trans-119.6131.1167.8-76.1-173.4177.8-175.41.2112G352G352-R354 PolarHBondContact O-N 2.96Å
355L30.6Very low36.1Very low138 Ų138103.8 Ų103.872%0.72357%0.568SS**  trans-77.8128.4174.3-72.3155.8000110.7V344V344-L355 HydrophobicContact CG1-CD2 3.94Å
356V34.1Very low37.9Very low56 Ų56101.5 Ų101.534%0.33956%0.556SS.*  trans-117.2132174.2-177.90000110.1
357P31Very low40.2Very low108 Ų10895.2 Ų95.270%0.70152%0.523SS*.  trans-75.6154.4-176.122.8-20.8000113.8G359P357-G359 PolarHBondContact O-N 3.34Å
358K27.4Very low42.2Very low192 Ų19298.2 Ų98.284%0.83553%0.532SS*.SBendtrans-52.3121174.5-72.8-179.5173.7-176.60110.5
359G32.6Very low44Very low74 Ų7493.9 Ų93.976%0.76350%0.5SS*.  trans153-6.2176.800000116.5P357 Q361P357-G359 PolarHBondContact O-N 3.34Å; G359-Q361 PolarHBondContact O-N 3.03Å
360S35.9Very low45.9Very low53 Ų5390 Ų9037%0.37148%0.479SS..  trans-80.8110.7178.560.40000111.5L362S360-L362 PolarHBondContact O-N 3.04Å
361Q36.2Very low48Very low170 Ų17081.9 Ų81.979%0.79444%0.436SS*.  trans-50.5120.9171.7-62.1-168.6-7.500110.8G359 Q363G359-Q361 PolarHBondContact O-N 3.03Å; Q361-Q363 PolarHBondContact O-N 3.48Å
362L39.5Very low49.9Very low91 Ų9178.6 Ų78.648%0.47641%0.414SS..  trans-81.4109.6175-85151000108.6R315 S360R315-L362 VanDerWaalsContact O-CD2 3.27Å; R315-L362 WeakPolarHBondContact O-CD2 3.23Å; S360-L362 PolarHBondContact O-N 3.04Å
363Q50.2Low51.7Low83 Ų8376.6 Ų76.639%0.38839%0.393SS..  trans-88.5135.9178.7-70179.6-5.500111.7C313 S316 Q361C313-Q363 PolarHBondContact SG-O 3.07Å; C313-Q363 VanDerWaalsContact SG-O 3.39Å; S316-Q363 WeakPolarHBondContact CB-O 3.24Å; S316-Q363 PolarHBondContact OG-O 3.37Å; Q361-Q363 PolarHBondContact O-N 3.48Å
364N53.7Low54Low12 Ų1270.9 Ų70.96%0.06436%0.364CS..  trans6.2135.8172.5-56.8-0.9000120.3F307 T366F307-N364 HydrophobicContact CB-CB 3.99Å; F307-N364 HydrophobicContact CD1-CB 4.09Å; F307-N364 WeakPolarHBondContact CD1-ND2 3.27Å; F307-N364 HydrophobicContact CD2-CB 4.29Å; F307-N364 VanDerWaalsContact CE1-ND2 3.33Å; F307-N364 WeakPolarHBondContact CE1-ND2 3.23Å; F307-N364 HydrophobicContact CG-CB 3.88Å; N364-T366 PolarHBondContact O-N 2.82Å
365C62Low56.3Low20 Ų2063.6 Ų63.614%0.13534%0.34CS..  trans-63.5125.5169-168.30000110.6
366T69.6Low58.3Low2 Ų261 Ų611%0.01232%0.323CS..  trans-117.7156.4179.576.30000110.5F307 N364 R368 H369 L370F307-T366 HydrophobicContact CB-CG2 3.74Å; N364-T366 PolarHBondContact O-N 2.82Å; T366-R368 PolarHBondContact O-N 3.49Å; T366-H369 WeakPolarHBondContact O-CB 3.24Å; T366-H369 PolarHBondContact O-N 2.71Å; T366-H369 PolarHBondContact OG1-CE1 3.04Å; T366-H369 PolarHBondContact OG1-N 2.94Å; T366-H369 PolarHBondContact OG1-ND1 3.49Å; T366-L370 PolarHBondContact O-N 3Å
367L76.9Confident60.2Low1 Ų159 Ų591%0.00531%0.31CS..Hα-helixtrans-55.8-37.5174.9-81.2168.9000112.6F301 L304 V305 H369 L370 F371 F410 M417 W434F301-L367 HydrophobicContact CD2-CD1 3.57Å; F301-L367 HydrophobicContact CE2-CD1 3.72Å; L304-L367 HydrophobicContact CB-CD1 3.92Å; L304-L367 HydrophobicContact CB-CG 3.81Å; L304-L367 HydrophobicContact CD1-CD1 4.47Å; L304-L367 HydrophobicContact CD1-CD2 4.42Å; L304-L367 HydrophobicContact CD1-CG 4.29Å; L304-L367 PolarHBondContact O-N 2.82Å; V305-L367 HydrophobicContact CG2-CD1 4.04Å; L367-H369 VanDerWaalsContact C-N 3.32Å; L367-H369 PolarHBondContact O-N 2.88Å; L367-L370 PolarHBondContact O-N 3.17Å; L367-F371 HydrophobicContact CB-CD2 4.45Å; L367-F371 HydrophobicContact CB-CE2 4.46Å; L367-F371 HydrophobicContact CD2-CE2 4.16Å; L367-F371 VanDerWaalsContact O-CD2 3.22Å; L367-F371 WeakPolarHBondContact O-CD2 3.47Å; L367-F371 PolarHBondContact O-N 2.87Å; L367-F410 HydrophobicContact CD2-CE2 3.83Å; L367-F410 HydrophobicContact CD2-CZ 4.17Å; L367-M417 HydrophobicContact CD2-CE 4.34Å; L367-W434 HydrophobicContact CB-CH2 4.28Å; L367-W434 HydrophobicContact CB-CZ2 4.3Å; L367-W434 HydrophobicContact CD1-CH2 4.41Å
368R71.8Confident62.3Low113 Ų11353.8 Ų53.843%0.42628%0.276SS..Hα-helixtrans-61-40.9177.2-176.1-179.3-78.1133.3-6.2111.6T366 H372 E433T366-R368 PolarHBondContact O-N 3.49Å; R368-H372 VanDerWaalsContact O-CB 3.28Å; R368-H372 WeakPolarHBondContact O-CB 3.27Å; R368-H372 PolarHBondContact O-N 3.14Å; R368-H372 VanDerWaalsContact O-N 3.07Å; R368-E433 IonicContact CZ-OE2 2.85Å; R368-E433 IonicContact NE-OE2 2.68Å; R368-E433 IonicContact NH2-OE2 2.73Å; R368-E433 PolarHBondContact NH2-OE2 3.18Å; R368-E433 VanDerWaalsContact NH2-OE2 3.09Å
369H69.4Low64.6Low35 Ų3547.1 Ų47.116%0.16225%0.251CS..Hα-helixtrans-66.1-39.7177.4-60.8135.7000112C313 S316 M317 T366 L367 A373C313-H369 PolarHBondContact O-NE2 3.37Å; C313-H369 VanDerWaalsContact O-NE2 3.09Å; S316-H369 PolarHBondContact OG-CE1 3.36Å; S316-H369 PolarHBondContact OG-ND1 2.69Å; M317-H369 HydrophobicContact CG-CB 4.29Å; T366-H369 WeakPolarHBondContact O-CB 3.24Å; T366-H369 PolarHBondContact O-N 2.71Å; T366-H369 PolarHBondContact OG1-CE1 3.04Å; T366-H369 PolarHBondContact OG1-N 2.94Å; T366-H369 PolarHBondContact OG1-ND1 3.49Å; L367-H369 VanDerWaalsContact C-N 3.32Å; L367-H369 PolarHBondContact O-N 2.88Å; H369-A373 WeakPolarHBondContact O-CB 3.37Å; H369-A373 PolarHBondContact O-N 3.05Å
370L77.1Confident66.5Low6 Ų645.5 Ų45.53%0.03122%0.224CC..Hα-helixtrans-68.2-46.2179.6-68162.6000112.1F280 M284 M317 T366 L367 A373 L374 F410F280-L370 HydrophobicContact CE2-CD2 3.94Å; F280-L370 HydrophobicContact CZ-CD2 3.76Å; M284-L370 HydrophobicContact CE-CD1 3.74Å; M284-L370 HydrophobicContact CE-CD2 4.16Å; M317-L370 HydrophobicContact CE-CD2 3.66Å; M317-L370 HydrophobicContact CE-CG 4.3Å; M317-L370 HydrophobicContact SD-CD2 4.3Å; T366-L370 PolarHBondContact O-N 3Å; L367-L370 PolarHBondContact O-N 3.17Å; L370-A373 PolarHBondContact O-N 3.21Å; L370-L374 PolarHBondContact O-N 3.28Å; L370-F410 HydrophobicContact CB-CD1 4.27Å; L370-F410 HydrophobicContact CB-CD2 4.27Å; L370-F410 HydrophobicContact CB-CE1 3.69Å; L370-F410 HydrophobicContact CB-CE2 3.71Å; L370-F410 HydrophobicContact CB-CZ 3.37Å; L370-F410 HydrophobicContact CD1-CD2 3.75Å; L370-F410 HydrophobicContact CD1-CE2 3.48Å; L370-F410 VanDerWaalsContact CD1-CE2 3.48Å; L370-F410 HydrophobicContact CD1-CZ 4.09Å; L370-F410 HydrophobicContact CD2-CD2 4.43Å; L370-F410 HydrophobicContact CG-CD2 4.38Å; L370-F410 HydrophobicContact CG-CE2 4.12Å; L370-F410 HydrophobicContact CG-CZ 4.28Å
371F79.8Confident68.3Low6 Ų644 Ų443%0.02621%0.211CC..Hα-helixtrans-64.5-41.9176.2-78.3-65.5000112.7L367 A373 L374 D375 F410 I414 I428 W434 C436L367-F371 HydrophobicContact CB-CD2 4.45Å; L367-F371 HydrophobicContact CB-CE2 4.46Å; L367-F371 HydrophobicContact CD2-CE2 4.16Å; L367-F371 VanDerWaalsContact O-CD2 3.22Å; L367-F371 WeakPolarHBondContact O-CD2 3.47Å; L367-F371 PolarHBondContact O-N 2.87Å; F371-A373 VanDerWaalsContact C-N 3.28Å; F371-A373 PolarHBondContact O-N 2.87Å; F371-L374 HydrophobicContact CD1-CD1 4.48Å; F371-L374 WeakPolarHBondContact O-CB 3.48Å; F371-L374 PolarHBondContact O-N 2.77Å; F371-D375 PolarHBondContact O-N 3Å; F371-F410 HydrophobicContact CD2-CZ 4.5Å; F371-F410 HydrophobicContact CE1-CZ 4.41Å; F371-F410 HydrophobicContact CE2-CZ 4.32Å; F371-F410 HydrophobicContact CZ-CZ 4.27Å; F371-I414 HydrophobicContact CE1-CD1 3.71Å; F371-I414 HydrophobicContact CZ-CD1 3.59Å; F371-I414 HydrophobicContact CZ-CG1 4.24Å; F371-I428 HydrophobicContact CZ-CG2 4.1Å; F371-W434 HydrophobicContact CB-CB 4.08Å; F371-W434 HydrophobicContact CB-CG 4.1Å; F371-W434 HydrophobicContact CD1-CB 4.33Å; F371-W434 HydrophobicContact CD2-CB 4.16Å; F371-W434 AromaticContact CD2-CD2 3.54Å; F371-W434 HydrophobicContact CD2-CD2 3.54Å; F371-W434 AromaticContact CD2-CE3 3.68Å; F371-W434 HydrophobicContact CD2-CE3 3.68Å; F371-W434 AromaticContact CD2-CG 3.78Å; F371-W434 HydrophobicContact CD2-CG 3.78Å; F371-W434 HydrophobicContact CD2-CZ3 4.27Å; F371-W434 AromaticContact CE2-CD2 3.86Å; F371-W434 HydrophobicContact CE2-CD2 3.86Å; F371-W434 AromaticContact CE2-CE3 3.45Å; F371-W434 HydrophobicContact CE2-CE3 3.45Å; F371-W434 VanDerWaalsContact CE2-CE3 3.45Å; F371-W434 HydrophobicContact CE2-CG 4.44Å; F371-W434 HydrophobicContact CE2-CH2 4.44Å; F371-W434 AromaticContact CE2-CZ3 3.8Å; F371-W434 HydrophobicContact CE2-CZ3 3.8Å; F371-W434 HydrophobicContact CG-CB 3.95Å; F371-W434 HydrophobicContact CG-CD2 4.24Å; F371-W434 AromaticContact CG-CG 3.99Å; F371-W434 HydrophobicContact CG-CG 3.99Å; F371-W434 HydrophobicContact CZ-CE3 4.17Å; F371-C436 HydrophobicContact CE1-CB 4.09Å
372H75.8Confident69.9Low99 Ų9939.8 Ų39.846%0.45819%0.188SC..Hα-helixtrans-64.8-33.5175.8177.3-89.7000112.2R368 K376R368-H372 VanDerWaalsContact O-CB 3.28Å; R368-H372 WeakPolarHBondContact O-CB 3.27Å; R368-H372 PolarHBondContact O-N 3.14Å; R368-H372 VanDerWaalsContact O-N 3.07Å; H372-K376 WeakPolarHBondContact CE1-CE 3.48Å; H372-K376 WeakPolarHBondContact NE2-CE 3.28Å; H372-K376 WeakPolarHBondContact O-CG 3.42Å; H372-K376 PolarHBondContact O-N 3Å; H372-K376 VanDerWaalsContact O-N 3.14Å
373A71.9Confident71.4Confident11 Ų1143.3 Ų43.39%0.09120%0.195CC..Hα-helixtrans-67.5-40.5172.600000112.2M317 L320 H369 L370 F371 Y377M317-A373 HydrophobicContact CE-CB 3.48Å; M317-A373 VanDerWaalsContact CE-CB 3.48Å; L320-A373 HydrophobicContact CD2-CB 3.83Å; H369-A373 WeakPolarHBondContact O-CB 3.37Å; H369-A373 PolarHBondContact O-N 3.05Å; L370-A373 PolarHBondContact O-N 3.21Å; F371-A373 VanDerWaalsContact C-N 3.28Å; F371-A373 PolarHBondContact O-N 2.87Å; A373-Y377 VanDerWaalsContact O-CB 3.29Å; A373-Y377 WeakPolarHBondContact O-CB 3.49Å; A373-Y377 PolarHBondContact O-N 2.91Å
374L79Confident72.2Confident8 Ų840.9 Ų40.94%0.04219%0.186CC..Hα-helixtrans-62.7-42.8173.6-72.6-176.2000112.7L370 F371 Y377 A378 I407 F410 L411 V439 L440L370-L374 PolarHBondContact O-N 3.28Å; F371-L374 HydrophobicContact CD1-CD1 4.48Å; F371-L374 WeakPolarHBondContact O-CB 3.48Å; F371-L374 PolarHBondContact O-N 2.77Å; L374-Y377 WeakPolarHBondContact O-CB 3.31Å; L374-Y377 PolarHBondContact O-N 2.94Å; L374-A378 WeakPolarHBondContact O-CB 3.38Å; L374-A378 PolarHBondContact O-N 3.23Å; L374-I407 HydrophobicContact CD2-CG1 4.14Å; L374-I407 HydrophobicContact CD2-CG2 3.77Å; L374-F410 HydrophobicContact CD1-CD1 3.74Å; L374-F410 HydrophobicContact CD1-CE1 3.48Å; L374-F410 VanDerWaalsContact CD1-CE1 3.48Å; L374-F410 HydrophobicContact CG-CD1 4.2Å; L374-F410 HydrophobicContact CG-CE1 4.11Å; L374-L411 HydrophobicContact CD1-CD2 4.46Å; L374-V439 HydrophobicContact CB-CG1 4.04Å; L374-L440 HydrophobicContact CD1-CD2 4.44Å
375D78.7Confident72.7Confident57 Ų5743.6 Ų43.631%0.30520%0.198SC..Hα-helixtrans-61-48.6178.5-179.640000111.1F371 Y377 A378 V379 V439F371-D375 PolarHBondContact O-N 3Å; D375-Y377 VanDerWaalsContact C-N 3.28Å; D375-Y377 PolarHBondContact O-N 2.94Å; D375-A378 WeakPolarHBondContact O-CB 3.38Å; D375-A378 PolarHBondContact O-N 3.28Å; D375-V379 WeakPolarHBondContact O-CG2 3.35Å; D375-V379 PolarHBondContact O-N 3.04Å; D375-V439 HydrophobicContact CB-CG1 4.39Å; D375-V439 HydrophobicContact CB-CG2 3.86Å; D375-V439 WeakPolarHBondContact OD1-CG2 3.28Å
376K72.3Confident72.8Confident83 Ų8349.8 Ų49.836%0.36123%0.225SC..Hα-helixtrans-63.9-33.8175.7-70.9-160.5166.2-172.70113.1Y321 H372 H380Y321-K376 HydrophobicContact CD2-CD 4.41Å; Y321-K376 HydrophobicContact CE2-CB 4.06Å; Y321-K376 HydrophobicContact CE2-CD 3.28Å; Y321-K376 HydrophobicContact CE2-CG 4.3Å; Y321-K376 VanDerWaalsContact OH-CD 3.31Å; Y321-K376 WeakPolarHBondContact OH-CD 3.46Å; Y321-K376 PolarHBondContact OH-NZ 3.23Å; H372-K376 WeakPolarHBondContact CE1-CE 3.48Å; H372-K376 WeakPolarHBondContact NE2-CE 3.28Å; H372-K376 WeakPolarHBondContact O-CG 3.42Å; H372-K376 PolarHBondContact O-N 3Å; H372-K376 VanDerWaalsContact O-N 3.14Å; K376-H380 WeakPolarHBondContact O-CB 3.19Å; K376-H380 PolarHBondContact O-N 3.42Å
377Y74.4Confident72.3Confident14 Ų1455.6 Ų55.66%0.05526%0.256CS..Hα-helixtrans-66.2-42.4173.7-174-109.4000112I324 A373 L374 D375 V379 H380 I381 M399 I407I324-Y377 HydrophobicContact CD1-CD2 3.86Å; I324-Y377 HydrophobicContact CG1-CD2 4.09Å; I324-Y377 HydrophobicContact CG1-CE2 4.42Å; I324-Y377 HydrophobicContact CG2-CD2 3.77Å; I324-Y377 HydrophobicContact CG2-CE2 4.3Å; A373-Y377 VanDerWaalsContact O-CB 3.29Å; A373-Y377 WeakPolarHBondContact O-CB 3.49Å; A373-Y377 PolarHBondContact O-N 2.91Å; L374-Y377 WeakPolarHBondContact O-CB 3.31Å; L374-Y377 PolarHBondContact O-N 2.94Å; D375-Y377 VanDerWaalsContact C-N 3.28Å; D375-Y377 PolarHBondContact O-N 2.94Å; Y377-V379 VanDerWaalsContact C-N 3.34Å; Y377-V379 PolarHBondContact O-N 2.74Å; Y377-H380 WeakPolarHBondContact O-CB 3.45Å; Y377-H380 PolarHBondContact O-N 3.5Å; Y377-H380 VanDerWaalsContact O-N 3.12Å; Y377-I381 HydrophobicContact CD1-CD1 3.64Å; Y377-I381 HydrophobicContact CD1-CG1 4.39Å; Y377-I381 HydrophobicContact CE1-CD1 3.09Å; Y377-I381 HydrophobicContact CE1-CG1 3.96Å; Y377-I381 HydrophobicContact CE2-CD1 4.33Å; Y377-I381 HydrophobicContact CE2-CG1 4.34Å; Y377-I381 HydrophobicContact CG-CD1 4.44Å; Y377-I381 VanDerWaalsContact CZ-CD1 3.47Å; Y377-I381 PolarHBondContact O-N 3.45Å; Y377-M399 HydrophobicContact CE1-SD 4.23Å; Y377-M399 WeakPolarHBondContact OH-CG 3.29Å; Y377-M399 PolarHBondContact OH-SD 3.49Å; Y377-I407 HydrophobicContact CD1-CD1 3.59Å; Y377-I407 HydrophobicContact CE1-CD1 3.34Å; Y377-I407 HydrophobicContact CG-CD1 4.31Å
378A74.4Confident71.2Confident0 Ų059.2 Ų59.20%027%0.273CS..Hα-helixtrans-60.5-43.3175.700000111.9L374 D375 H380 R382 V439 Q442 I443L374-A378 WeakPolarHBondContact O-CB 3.38Å; L374-A378 PolarHBondContact O-N 3.23Å; D375-A378 WeakPolarHBondContact O-CB 3.38Å; D375-A378 PolarHBondContact O-N 3.28Å; A378-H380 VanDerWaalsContact C-N 3.31Å; A378-H380 PolarHBondContact O-N 3.17Å; A378-R382 WeakPolarHBondContact O-CG 3.48Å; A378-R382 PolarHBondContact O-N 3.31Å; A378-V439 HydrophobicContact CB-CG1 4.17Å; A378-Q442 HydrophobicContact CB-CB 4.3Å; A378-I443 HydrophobicContact CB-CD1 4.16Å; A378-I443 HydrophobicContact CB-CG1 3.6Å
379V76.1Confident70Confident51 Ų5157.4 Ų57.431%0.30929%0.29SS..Hα-helixtrans-63.5-38.2174.5175.30000111.3D375 Y377 R383D375-V379 WeakPolarHBondContact O-CG2 3.35Å; D375-V379 PolarHBondContact O-N 3.04Å; Y377-V379 VanDerWaalsContact C-N 3.34Å; Y377-V379 PolarHBondContact O-N 2.74Å; V379-R383 WeakPolarHBondContact O-CG 3.39Å; V379-R383 PolarHBondContact O-N 3.2Å; V379-R383 VanDerWaalsContact O-N 3.13Å
380H73Confident68.8Low41 Ų4160.2 Ų60.219%0.1932%0.319CS..Hα-helixtrans-64.7-52.5177.9-17582.5000111.9K376 Y377 A378 R382 R383 V384K376-H380 WeakPolarHBondContact O-CB 3.19Å; K376-H380 PolarHBondContact O-N 3.42Å; Y377-H380 WeakPolarHBondContact O-CB 3.45Å; Y377-H380 PolarHBondContact O-N 3.5Å; Y377-H380 VanDerWaalsContact O-N 3.12Å; A378-H380 VanDerWaalsContact C-N 3.31Å; A378-H380 PolarHBondContact O-N 3.17Å; H380-R382 VanDerWaalsContact C-N 3.28Å; H380-R382 PolarHBondContact O-N 2.89Å; H380-R383 PolarHBondContact O-N 3.18Å; H380-R383 VanDerWaalsContact O-N 3.13Å; H380-V384 WeakPolarHBondContact O-CG2 3.4Å; H380-V384 PolarHBondContact O-N 3.33Å
381I72.5Confident67Low21 Ų2163.6 Ų63.611%0.10834%0.343CS..Hα-helixtrans-56.7-44179.1-65.6166.8000110.9Y377 R383 V384 E385 C446 V448Y377-I381 HydrophobicContact CD1-CD1 3.64Å; Y377-I381 HydrophobicContact CD1-CG1 4.39Å; Y377-I381 HydrophobicContact CE1-CD1 3.09Å; Y377-I381 HydrophobicContact CE1-CG1 3.96Å; Y377-I381 HydrophobicContact CE2-CD1 4.33Å; Y377-I381 HydrophobicContact CE2-CG1 4.34Å; Y377-I381 HydrophobicContact CG-CD1 4.44Å; Y377-I381 VanDerWaalsContact CZ-CD1 3.47Å; Y377-I381 PolarHBondContact O-N 3.45Å; I381-R383 PolarHBondContact O-N 3.4Å; I381-V384 WeakPolarHBondContact O-CB 3.08Å; I381-V384 PolarHBondContact O-N 2.92Å; I381-V384 VanDerWaalsContact O-N 3.14Å; I381-E385 HydrophobicContact CG2-CG 4.48Å; I381-E385 PolarHBondContact O-N 2.87Å; I381-C446 HydrophobicContact CG2-CB 3.54Å; I381-V448 HydrophobicContact CD1-CG1 4.32Å
382R70.3Confident65Low82 Ų8272.5 Ų72.531%0.30939%0.385SS..Hα-helixtrans-62-40.8178.9-77.9179.2164.2-161.3-12113.3A378 H380 V384 E385 Q386 Q442 S445A378-R382 WeakPolarHBondContact O-CG 3.48Å; A378-R382 PolarHBondContact O-N 3.31Å; H380-R382 VanDerWaalsContact C-N 3.28Å; H380-R382 PolarHBondContact O-N 2.89Å; R382-V384 VanDerWaalsContact C-N 3.29Å; R382-V384 PolarHBondContact O-N 3.5Å; R382-E385 PolarHBondContact O-N 2.76Å; R382-Q386 WeakPolarHBondContact O-CB 3.29Å; R382-Q386 VanDerWaalsContact O-CG 3.26Å; R382-Q386 WeakPolarHBondContact O-CG 3.47Å; R382-Q386 PolarHBondContact O-N 3.38Å; R382-Q442 VanDerWaalsContact CZ-CB 3.44Å; R382-Q442 VanDerWaalsContact NH1-CG 3.31Å; R382-Q442 VanDerWaalsContact NH2-CG 3.33Å; R382-S445 PolarHBondContact NH2-OG 3.2Å
383R70.6Confident63.2Low164 Ų16476.1 Ų76.162%0.61940%0.402SS*.Hα-helixtrans-64-37.9175.6-75.7177.9-177177.12.3111.2V379 H380 I381 N387V379-R383 WeakPolarHBondContact O-CG 3.39Å; V379-R383 PolarHBondContact O-N 3.2Å; V379-R383 VanDerWaalsContact O-N 3.13Å; H380-R383 PolarHBondContact O-N 3.18Å; H380-R383 VanDerWaalsContact O-N 3.13Å; I381-R383 PolarHBondContact O-N 3.4Å; R383-N387 WeakPolarHBondContact O-CB 3.39Å; R383-N387 PolarHBondContact O-N 3.04Å; R383-N387 VanDerWaalsContact O-N 3.14Å; R383-N387 PolarHBondContact O-ND2 3.43Å; R383-N387 VanDerWaalsContact O-ND2 3.17Å
384V66.7Low61.4Low33 Ų3378 Ų7820%0.242%0.422CS..Hα-helixtrans-65.7-46.9177175.50000110.7H380 I381 R382 Q386 N387 Q388 M397H380-V384 WeakPolarHBondContact O-CG2 3.4Å; H380-V384 PolarHBondContact O-N 3.33Å; I381-V384 WeakPolarHBondContact O-CB 3.08Å; I381-V384 PolarHBondContact O-N 2.92Å; I381-V384 VanDerWaalsContact O-N 3.14Å; R382-V384 VanDerWaalsContact C-N 3.29Å; R382-V384 PolarHBondContact O-N 3.5Å; V384-Q386 PolarHBondContact O-N 3.26Å; V384-N387 PolarHBondContact O-N 3.17Å; V384-Q388 WeakPolarHBondContact O-CG 3.32Å; V384-Q388 PolarHBondContact O-N 3.46Å; V384-Q388 VanDerWaalsContact O-N 3.09Å; V384-M397 HydrophobicContact CG1-CB 4.32Å; V384-M397 HydrophobicContact CG1-SD 4.09Å; V384-M397 HydrophobicContact CG2-SD 4.24Å
385E65.7Low59.5Low69 Ų6982.6 Ų82.632%0.32245%0.451SS..Hα-helixtrans-62.5-42177.1-75-170155.900113I381 R382 N387 Q388 C446 S447I381-E385 HydrophobicContact CG2-CG 4.48Å; I381-E385 PolarHBondContact O-N 2.87Å; R382-E385 PolarHBondContact O-N 2.76Å; E385-N387 VanDerWaalsContact C-N 3.26Å; E385-N387 PolarHBondContact O-N 3.29Å; E385-Q388 PolarHBondContact O-N 3.32Å; E385-C446 VanDerWaalsContact OE1-CA 3.28Å; E385-C446 WeakPolarHBondContact OE1-CA 3.29Å; E385-C446 WeakPolarHBondContact OE1-CB 3.43Å; E385-S447 PolarHBondContact OE1-N 2.89Å; E385-S447 PolarHBondContact OE1-OG 3.38Å
386Q63.9Low57.8Low149 Ų14987.9 Ų87.970%0.69647%0.471SS*.Hα-helixtrans-63.2-32.9177.4-74.5176.2-1.100112.3R382 V384R382-Q386 WeakPolarHBondContact O-CB 3.29Å; R382-Q386 VanDerWaalsContact O-CG 3.26Å; R382-Q386 WeakPolarHBondContact O-CG 3.47Å; R382-Q386 PolarHBondContact O-N 3.38Å; V384-Q386 PolarHBondContact O-N 3.26Å
387N58.8Low56.7Low124 Ų12487 Ų8766%0.66347%0.469SS*.Hα-helixtrans-80.8-25179.3-70.8-20.3000113.3R383 V384 E385 G389R383-N387 WeakPolarHBondContact O-CB 3.39Å; R383-N387 PolarHBondContact O-N 3.04Å; R383-N387 VanDerWaalsContact O-N 3.14Å; R383-N387 PolarHBondContact O-ND2 3.43Å; R383-N387 VanDerWaalsContact O-ND2 3.17Å; V384-N387 PolarHBondContact O-N 3.17Å; E385-N387 VanDerWaalsContact C-N 3.26Å; E385-N387 PolarHBondContact O-N 3.29Å; N387-G389 VanDerWaalsContact C-N 3.27Å; N387-G389 PolarHBondContact O-N 3.2Å
388Q53.3Low55.7Low77 Ų7794.3 Ų94.336%0.3650%0.504SS..Hα-helixtrans-73.1-16.4178.6-75.7178.89.700113.4V384 E385 A390V384-Q388 WeakPolarHBondContact O-CG 3.32Å; V384-Q388 PolarHBondContact O-N 3.46Å; V384-Q388 VanDerWaalsContact O-N 3.09Å; E385-Q388 PolarHBondContact O-N 3.32Å; Q388-A390 PolarHBondContact O-N 2.93Å
389G47.6Very low55.1Low75 Ų7595.9 Ų95.977%0.77351%0.511SS*.THydrogen-bonded Turntrans-70.9-3.6177.300000116.3N387N387-G389 VanDerWaalsContact C-N 3.27Å; N387-G389 PolarHBondContact O-N 3.2Å
390A44.1Very low54.7Low95 Ų9595.2 Ų95.279%0.78551%0.509SS*.THydrogen-bonded Turntrans-121.43.6-170.100000116Q388Q388-A390 PolarHBondContact O-N 2.93Å
391S39.3Very low54.5Low77 Ų7799.3 Ų99.354%0.53854%0.537SS..  trans-136.4119.6-177.9175.30000111.7H393S391-H393 PolarHBondContact O-N 3.46Å
392E38Very low54.3Low192 Ų19299.7 Ų99.790%0.89754%0.539SS*.THydrogen-bonded Turntrans-64.74.1-179.7-67.9-178.9151.400114.5
393H37.7Very low54.2Low175 Ų17596.6 Ų96.681%0.8153%0.528SS*.THydrogen-bonded Turntrans-13731-176.7-72.567.6000113.8S391 V395S391-H393 PolarHBondContact O-N 3.46Å; H393-V395 PolarHBondContact O-N 3.42Å
394G33.5Very low54.4Low51 Ų5189.9 Ų89.953%0.52651%0.505SS..  trans-79116-177.700000114.5K396G394-K396 PolarHBondContact O-N 2.86Å
395V39Very low54.8Low105 Ų10590.4 Ų90.464%0.63651%0.513SS*.  trans-56.3125.9165.2177.40000108.8H393 M397H393-V395 PolarHBondContact O-N 3.42Å; V395-M397 PolarHBondContact O-N 3.39Å; V395-M397 VanDerWaalsContact O-N 3.13Å
396K43.6Very low55.3Low168 Ų16887.6 Ų87.673%0.7350%0.501SS*.  trans-63.4110.6172.1-95.4-178.4173.2179.70108.3G394 E398G394-K396 PolarHBondContact O-N 2.86Å; K396-E398 PolarHBondContact O-N 3.39Å; K396-E398 VanDerWaalsContact O-N 3.1Å
397M48.3Very low56.1Low65 Ų6581.4 Ų81.432%0.3247%0.473SS..  trans-68.6105.2170.1-158.4-179.7-176.600108.5A328 V384 V395A328-M397 HydrophobicContact CB-CE 3.95Å; V384-M397 HydrophobicContact CG1-CB 4.32Å; V384-M397 HydrophobicContact CG1-SD 4.09Å; V384-M397 HydrophobicContact CG2-SD 4.24Å; V395-M397 PolarHBondContact O-N 3.39Å; V395-M397 VanDerWaalsContact O-N 3.13Å
398E53.4Low57.4Low167 Ų16776.5 Ų76.578%0.7845%0.447SS*.PPolyproline II helixtrans-86.2129.5175.2-67.7-176165.800109.3K396 S400K396-E398 PolarHBondContact O-N 3.39Å; K396-E398 VanDerWaalsContact O-N 3.1Å; E398-S400 PolarHBondContact O-N 3.01Å
399M62Low58.9Low32 Ų3273.3 Ų73.316%0.15843%0.434CS..PPolyproline II helixtrans-57.7132.7173.4176.7173.143.400108.9Y377 E403 T404 I407 V448 P449 L452Y377-M399 HydrophobicContact CE1-SD 4.23Å; Y377-M399 WeakPolarHBondContact OH-CG 3.29Å; Y377-M399 PolarHBondContact OH-SD 3.49Å; M399-E403 HydrophobicContact CG-CB 3.71Å; M399-E403 HydrophobicContact SD-CB 4.07Å; M399-T404 HydrophobicContact CE-CG2 3.71Å; M399-T404 WeakPolarHBondContact CE-OG1 3.48Å; M399-T404 WeakPolarHBondContact CG-OG1 3.47Å; M399-T404 PolarHBondContact SD-OG1 3.49Å; M399-I407 HydrophobicContact SD-CD1 4.2Å; M399-V448 HydrophobicContact CE-CG1 4.48Å; M399-P449 HydrophobicContact CE-CB 4.49Å; M399-P449 HydrophobicContact CE-CG 3.54Å; M399-L452 HydrophobicContact CE-CB 4.22Å; M399-L452 HydrophobicContact CE-CD2 3.44Å; M399-L452 VanDerWaalsContact CE-CD2 3.44Å; M399-L452 HydrophobicContact CE-CG 4.45Å; M399-L452 HydrophobicContact SD-CD2 4.14Å
400S67Low60.7Low37 Ų3770 Ų7026%0.25940%0.398SS..PPolyproline II helixtrans-61.1147.1178.868.80000110.4E398 M402 E403 T404E398-S400 PolarHBondContact O-N 3.01Å; S400-M402 PolarHBondContact O-N 3.39Å; S400-E403 WeakPolarHBondContact CB-OE2 3.35Å; S400-E403 PolarHBondContact N-OE2 2.89Å; S400-E403 PolarHBondContact O-N 3.33Å; S400-E403 VanDerWaalsContact OG-CB 3.27Å; S400-E403 WeakPolarHBondContact OG-CB 3.2Å; S400-E403 WeakPolarHBondContact OG-CG 3.43Å; S400-E403 PolarHBondContact OG-N 3.04Å; S400-E403 VanDerWaalsContact OG-N 3.09Å; S400-E403 PolarHBondContact OG-OE2 3.04Å; S400-T404 PolarHBondContact O-N 2.95Å; S400-T404 PolarHBondContact O-OG1 3.26Å
401T69.1Low62.9Low127 Ų12765.5 Ų65.578%0.77936%0.36SS*.Hα-helixtrans-57.5-32.9177.551.70000111.5A405T401-A405 VanDerWaalsContact O-CB 3.25Å; T401-A405 WeakPolarHBondContact O-CB 3.46Å; T401-A405 PolarHBondContact O-N 2.93Å
402M67.4Low65.2Low30 Ų3067.4 Ų67.415%0.14836%0.359CS..Hα-helixtrans-72.6-42.8176.9-174.1175.4-101.700112.8L207 P277 V278 F323 S400 T404 A405 A406L207-M402 HydrophobicContact CD1-CE 3.93Å; L207-M402 HydrophobicContact CD2-CE 4.16Å; L207-M402 HydrophobicContact CG-CE 4.45Å; P277-M402 HydrophobicContact CB-CE 4.14Å; P277-M402 HydrophobicContact CB-SD 3.59Å; P277-M402 VanDerWaalsContact CB-SD 3.59Å; V278-M402 HydrophobicContact CG2-CE 4Å; F323-M402 HydrophobicContact CZ-SD 4.32Å; S400-M402 PolarHBondContact O-N 3.39Å; M402-T404 VanDerWaalsContact C-N 3.33Å; M402-T404 PolarHBondContact O-N 3.42Å; M402-A405 PolarHBondContact O-N 3.42Å; M402-A406 WeakPolarHBondContact O-CB 3.32Å; M402-A406 PolarHBondContact O-N 3.31Å
403E69Low67.7Low17 Ų1758.3 Ų58.38%0.07932%0.317CS..Hα-helixtrans-59.9-46.3173.4-80.5156.5161.200110.8F323 S327 M399 S400 A405 A406 I407F323-E403 HydrophobicContact CD1-CG 3.89Å; F323-E403 HydrophobicContact CE1-CG 3.76Å; S327-E403 PolarHBondContact OG-OE1 3.43Å; M399-E403 HydrophobicContact CG-CB 3.71Å; M399-E403 HydrophobicContact SD-CB 4.07Å; S400-E403 WeakPolarHBondContact CB-OE2 3.35Å; S400-E403 PolarHBondContact N-OE2 2.89Å; S400-E403 PolarHBondContact O-N 3.33Å; S400-E403 VanDerWaalsContact OG-CB 3.27Å; S400-E403 WeakPolarHBondContact OG-CB 3.2Å; S400-E403 WeakPolarHBondContact OG-CG 3.43Å; S400-E403 PolarHBondContact OG-N 3.04Å; S400-E403 VanDerWaalsContact OG-N 3.09Å; S400-E403 PolarHBondContact OG-OE2 3.04Å; E403-A405 VanDerWaalsContact C-N 3.33Å; E403-A405 PolarHBondContact O-N 3.45Å; E403-A406 PolarHBondContact O-N 3.4Å; E403-I407 WeakPolarHBondContact O-CG1 3.09Å; E403-I407 PolarHBondContact O-N 2.6Å
404T75Confident70.2Confident22 Ų2250 Ų5014%0.13528%0.278CS..Hα-helixtrans-57.3-49.5176.4-500000110.4M399 S400 M402 A406 I407 V408 P449 L452M399-T404 HydrophobicContact CE-CG2 3.71Å; M399-T404 WeakPolarHBondContact CE-OG1 3.48Å; M399-T404 WeakPolarHBondContact CG-OG1 3.47Å; M399-T404 PolarHBondContact SD-OG1 3.49Å; S400-T404 PolarHBondContact O-N 2.95Å; S400-T404 PolarHBondContact O-OG1 3.26Å; M402-T404 VanDerWaalsContact C-N 3.33Å; M402-T404 PolarHBondContact O-N 3.42Å; T404-A406 PolarHBondContact O-N 2.92Å; T404-I407 PolarHBondContact O-N 3.22Å; T404-V408 HydrophobicContact CG2-CG2 4.27Å; T404-V408 VanDerWaalsContact O-CB 3.25Å; T404-V408 WeakPolarHBondContact O-CB 3.19Å; T404-V408 WeakPolarHBondContact O-CG2 3.32Å; T404-V408 PolarHBondContact O-N 2.93Å; T404-P449 HydrophobicContact CG2-CB 4.35Å; T404-P449 HydrophobicContact CG2-CG 4.4Å; T404-L452 HydrophobicContact CG2-CB 4.33Å
405A75.7Confident72.9Confident45 Ų4551.3 Ų51.337%0.37227%0.267SS..Hα-helixtrans-62.8-41.3-179.800000112.2T401 M402 E403 S409T401-A405 VanDerWaalsContact O-CB 3.25Å; T401-A405 WeakPolarHBondContact O-CB 3.46Å; T401-A405 PolarHBondContact O-N 2.93Å; M402-A405 PolarHBondContact O-N 3.42Å; E403-A405 VanDerWaalsContact C-N 3.33Å; E403-A405 PolarHBondContact O-N 3.45Å; A405-S409 VanDerWaalsContact O-CB 3.29Å; A405-S409 WeakPolarHBondContact O-CB 3.3Å; A405-S409 PolarHBondContact O-N 2.71Å; A405-S409 PolarHBondContact O-OG 3.35Å
406A74.8Confident75.2Confident10 Ų1047 Ų478%0.08324%0.242CC..Hα-helixtrans-63.8-50.1178.600000111.1F280 M402 E403 T404 V408 S409 F410F280-A406 HydrophobicContact CD1-CB 3.83Å; F280-A406 HydrophobicContact CE1-CB 3.92Å; M402-A406 WeakPolarHBondContact O-CB 3.32Å; M402-A406 PolarHBondContact O-N 3.31Å; E403-A406 PolarHBondContact O-N 3.4Å; T404-A406 PolarHBondContact O-N 2.92Å; A406-V408 PolarHBondContact O-N 3.35Å; A406-S409 PolarHBondContact O-N 2.91Å; A406-S409 PolarHBondContact O-OG 3.07Å; A406-F410 PolarHBondContact O-N 3.28Å; A406-F410 VanDerWaalsContact O-N 3.07Å
407I82.4Confident77.4Confident18 Ų1839 Ų399%0.09221%0.208CC..Hα-helixtrans-63.5-45.5178.8-63169.6000110.5L374 Y377 M399 E403 T404 S409 F410 L411 L452L374-I407 HydrophobicContact CD2-CG1 4.14Å; L374-I407 HydrophobicContact CD2-CG2 3.77Å; Y377-I407 HydrophobicContact CD1-CD1 3.59Å; Y377-I407 HydrophobicContact CE1-CD1 3.34Å; Y377-I407 HydrophobicContact CG-CD1 4.31Å; M399-I407 HydrophobicContact SD-CD1 4.2Å; E403-I407 WeakPolarHBondContact O-CG1 3.09Å; E403-I407 PolarHBondContact O-N 2.6Å; T404-I407 PolarHBondContact O-N 3.22Å; I407-S409 VanDerWaalsContact C-N 3.31Å; I407-S409 PolarHBondContact O-N 3.25Å; I407-F410 PolarHBondContact O-N 3.04Å; I407-F410 VanDerWaalsContact O-N 3.15Å; I407-L411 HydrophobicContact CG2-CD1 4.01Å; I407-L411 HydrophobicContact CG2-CG 4.21Å; I407-L411 WeakPolarHBondContact O-CG 3.1Å; I407-L411 PolarHBondContact O-N 3.5Å; I407-L452 HydrophobicContact CB-CD1 4.12Å; I407-L452 HydrophobicContact CG2-CD1 3.37Å; I407-L452 HydrophobicContact CG2-CD2 4.47Å
408V85.4Confident79.4Confident22 Ų2235.9 Ų35.913%0.13319%0.192CC..Hα-helixtrans-59.6-42.2177.2168.80000111.2T404 A406 F410 L411 K412 L452 A455T404-V408 HydrophobicContact CG2-CG2 4.27Å; T404-V408 VanDerWaalsContact O-CB 3.25Å; T404-V408 WeakPolarHBondContact O-CB 3.19Å; T404-V408 WeakPolarHBondContact O-CG2 3.32Å; T404-V408 PolarHBondContact O-N 2.93Å; A406-V408 PolarHBondContact O-N 3.35Å; V408-F410 VanDerWaalsContact C-N 3.3Å; V408-F410 PolarHBondContact O-N 3.21Å; V408-L411 PolarHBondContact O-N 3.41Å; V408-K412 HydrophobicContact CG1-CD 4.1Å; V408-K412 HydrophobicContact CG1-CG 4.4Å; V408-K412 WeakPolarHBondContact O-CB 3.07Å; V408-K412 VanDerWaalsContact O-CG 3.29Å; V408-K412 WeakPolarHBondContact O-CG 3.19Å; V408-K412 PolarHBondContact O-N 2.98Å; V408-L452 HydrophobicContact CG2-CB 4.2Å; V408-L452 HydrophobicContact CG2-CD1 4.13Å; V408-A455 HydrophobicContact CG1-CB 4.23Å; V408-A455 HydrophobicContact CG2-CB 4.18Å
409S83.6Confident80.9Confident10 Ų1029.8 Ų29.87%0.0717%0.165CC..Hα-helixtrans-62.7-36.9177.473.40000112.4A405 A406 I407 L413A405-S409 VanDerWaalsContact O-CB 3.29Å; A405-S409 WeakPolarHBondContact O-CB 3.3Å; A405-S409 PolarHBondContact O-N 2.71Å; A405-S409 PolarHBondContact O-OG 3.35Å; A406-S409 PolarHBondContact O-N 2.91Å; A406-S409 PolarHBondContact O-OG 3.07Å; I407-S409 VanDerWaalsContact C-N 3.31Å; I407-S409 PolarHBondContact O-N 3.25Å; S409-L413 PolarHBondContact O-N 3.27Å
410F86.6Confident82Confident4 Ų432.5 Ų32.52%0.01818%0.177CC..Hα-helixtrans-70.9-43175.3176.4-128000112.6L367 L370 F371 L374 A406 I407 V408 K412 L413 I414L367-F410 HydrophobicContact CD2-CE2 3.83Å; L367-F410 HydrophobicContact CD2-CZ 4.17Å; L370-F410 HydrophobicContact CB-CD1 4.27Å; L370-F410 HydrophobicContact CB-CD2 4.27Å; L370-F410 HydrophobicContact CB-CE1 3.69Å; L370-F410 HydrophobicContact CB-CE2 3.71Å; L370-F410 HydrophobicContact CB-CZ 3.37Å; L370-F410 HydrophobicContact CD1-CD2 3.75Å; L370-F410 HydrophobicContact CD1-CE2 3.48Å; L370-F410 VanDerWaalsContact CD1-CE2 3.48Å; L370-F410 HydrophobicContact CD1-CZ 4.09Å; L370-F410 HydrophobicContact CD2-CD2 4.43Å; L370-F410 HydrophobicContact CG-CD2 4.38Å; L370-F410 HydrophobicContact CG-CE2 4.12Å; L370-F410 HydrophobicContact CG-CZ 4.28Å; F371-F410 HydrophobicContact CD2-CZ 4.5Å; F371-F410 HydrophobicContact CE1-CZ 4.41Å; F371-F410 HydrophobicContact CE2-CZ 4.32Å; F371-F410 HydrophobicContact CZ-CZ 4.27Å; L374-F410 HydrophobicContact CD1-CD1 3.74Å; L374-F410 HydrophobicContact CD1-CE1 3.48Å; L374-F410 VanDerWaalsContact CD1-CE1 3.48Å; L374-F410 HydrophobicContact CG-CD1 4.2Å; L374-F410 HydrophobicContact CG-CE1 4.11Å; A406-F410 PolarHBondContact O-N 3.28Å; A406-F410 VanDerWaalsContact O-N 3.07Å; I407-F410 PolarHBondContact O-N 3.04Å; I407-F410 VanDerWaalsContact O-N 3.15Å; V408-F410 VanDerWaalsContact C-N 3.3Å; V408-F410 PolarHBondContact O-N 3.21Å; F410-K412 VanDerWaalsContact C-N 3.31Å; F410-K412 PolarHBondContact O-N 3.4Å; F410-L413 WeakPolarHBondContact O-CB 3.19Å; F410-L413 PolarHBondContact O-N 2.87Å; F410-I414 HydrophobicContact CD1-CD1 4.14Å; F410-I414 HydrophobicContact CD2-CD1 4.45Å; F410-I414 HydrophobicContact CE1-CD1 3.59Å; F410-I414 HydrophobicContact CE2-CD1 3.92Å; F410-I414 HydrophobicContact CE2-CG1 4Å; F410-I414 HydrophobicContact CZ-CD1 3.47Å; F410-I414 VanDerWaalsContact CZ-CD1 3.47Å; F410-I414 HydrophobicContact CZ-CG1 4.04Å; F410-I414 PolarHBondContact O-N 3.11Å
411L89.4Confident82.9Confident1 Ų131.1 Ų31.11%0.00517%0.167CC..Hα-helixtrans-64.1-36.7176.5-66.6177.9000112L374 I407 V408 L413 I414 R415 L440 L452 A455 I456 V459L374-L411 HydrophobicContact CD1-CD2 4.46Å; I407-L411 HydrophobicContact CG2-CD1 4.01Å; I407-L411 HydrophobicContact CG2-CG 4.21Å; I407-L411 WeakPolarHBondContact O-CG 3.1Å; I407-L411 PolarHBondContact O-N 3.5Å; V408-L411 PolarHBondContact O-N 3.41Å; L411-L413 VanDerWaalsContact C-N 3.32Å; L411-L413 PolarHBondContact O-N 3.06Å; L411-I414 HydrophobicContact CD2-CD1 4.3Å; L411-I414 PolarHBondContact O-N 3.21Å; L411-R415 WeakPolarHBondContact O-CB 3.41Å; L411-R415 PolarHBondContact O-N 3Å; L411-L440 HydrophobicContact CD2-CD1 4.48Å; L411-L440 HydrophobicContact CD2-CD2 3.57Å; L411-L452 HydrophobicContact CD1-CD1 3.58Å; L411-A455 HydrophobicContact CB-CB 4.1Å; L411-A455 HydrophobicContact CD1-CB 3.95Å; L411-I456 HydrophobicContact CD1-CG1 3.59Å; L411-V459 HydrophobicContact CB-CG2 4.17Å; L411-V459 HydrophobicContact CD2-CG2 4.37Å; L411-V459 WeakPolarHBondContact O-CG2 3.49Å
412K89.4Confident83.7Confident118 Ų11826.6 Ų26.651%0.51315%0.146SC..Hα-helixtrans-60.6-39.7173-76.6178.2177-174.30112.2T288 V408 F410 R415 A416T288-K412 HydrophobicContact CG2-CB 4.34Å; V408-K412 HydrophobicContact CG1-CD 4.1Å; V408-K412 HydrophobicContact CG1-CG 4.4Å; V408-K412 WeakPolarHBondContact O-CB 3.07Å; V408-K412 VanDerWaalsContact O-CG 3.29Å; V408-K412 WeakPolarHBondContact O-CG 3.19Å; V408-K412 PolarHBondContact O-N 2.98Å; F410-K412 VanDerWaalsContact C-N 3.31Å; F410-K412 PolarHBondContact O-N 3.4Å; K412-R415 PolarHBondContact O-N 3.05Å; K412-A416 WeakPolarHBondContact O-CB 3.36Å; K412-A416 PolarHBondContact O-N 2.62Å
413L89.6Confident84.6Confident0 Ų029 Ų290%016%0.162CC..Hα-helixtrans-64.4-45.2173.7178.862.6000111.8M284 L287 T288 A291 L304 S409 F410 L411 R415 A416 M417M284-L413 HydrophobicContact SD-CD2 3.79Å; L287-L413 HydrophobicContact CB-CD1 3.91Å; L287-L413 HydrophobicContact CB-CD2 4.26Å; L287-L413 HydrophobicContact CD1-CD2 4.29Å; T288-L413 WeakPolarHBondContact OG1-CA 3.32Å; T288-L413 WeakPolarHBondContact OG1-CB 3.33Å; T288-L413 PolarHBondContact OG1-N 3.33Å; A291-L413 HydrophobicContact CB-CD1 4.44Å; L304-L413 HydrophobicContact CD1-CD2 4.02Å; S409-L413 PolarHBondContact O-N 3.27Å; F410-L413 WeakPolarHBondContact O-CB 3.19Å; F410-L413 PolarHBondContact O-N 2.87Å; L411-L413 VanDerWaalsContact C-N 3.32Å; L411-L413 PolarHBondContact O-N 3.06Å; L413-R415 VanDerWaalsContact C-N 3.34Å; L413-R415 PolarHBondContact O-N 3.36Å; L413-A416 PolarHBondContact O-N 3.36Å; L413-M417 HydrophobicContact CD1-CG 4.33Å; L413-M417 HydrophobicContact CD1-SD 4.48Å; L413-M417 HydrophobicContact CG-CE 4.1Å; L413-M417 HydrophobicContact CG-SD 4.45Å; L413-M417 WeakPolarHBondContact O-CG 3.33Å; L413-M417 PolarHBondContact O-N 3.03Å
414I89.7Confident85.4Confident0 Ų028.1 Ų28.10%016%0.158CC..Hα-helixtrans-58.5-47.6176.1-68.4168.1000110.7F371 F410 L411 M417 C418 I428 V459F371-I414 HydrophobicContact CE1-CD1 3.71Å; F371-I414 HydrophobicContact CZ-CD1 3.59Å; F371-I414 HydrophobicContact CZ-CG1 4.24Å; F410-I414 HydrophobicContact CD1-CD1 4.14Å; F410-I414 HydrophobicContact CD2-CD1 4.45Å; F410-I414 HydrophobicContact CE1-CD1 3.59Å; F410-I414 HydrophobicContact CE2-CD1 3.92Å; F410-I414 HydrophobicContact CE2-CG1 4Å; F410-I414 HydrophobicContact CZ-CD1 3.47Å; F410-I414 VanDerWaalsContact CZ-CD1 3.47Å; F410-I414 HydrophobicContact CZ-CG1 4.04Å; F410-I414 PolarHBondContact O-N 3.11Å; L411-I414 HydrophobicContact CD2-CD1 4.3Å; L411-I414 PolarHBondContact O-N 3.21Å; I414-M417 HydrophobicContact CG1-CE 4.46Å; I414-M417 PolarHBondContact O-N 3.31Å; I414-C418 WeakPolarHBondContact O-CB 3.23Å; I414-C418 PolarHBondContact O-N 2.78Å; I414-C418 PolarHBondContact O-SG 3.48Å; I414-I428 HydrophobicContact CG2-CD1 4.48Å; I414-V459 HydrophobicContact CB-CG2 4.35Å; I414-V459 HydrophobicContact CG2-CG1 3.85Å; I414-V459 HydrophobicContact CG2-CG2 4.2Å
415R90.8Very high86.1Confident79 Ų7928.1 Ų28.130%0.29816%0.155SC..Hα-helixtrans-55.6-53.3177-177.6-158.2179.5151.46.9110.7L411 K412 L413 M417 C418 D419 D458 V459 A462L411-R415 WeakPolarHBondContact O-CB 3.41Å; L411-R415 PolarHBondContact O-N 3Å; K412-R415 PolarHBondContact O-N 3.05Å; L413-R415 VanDerWaalsContact C-N 3.34Å; L413-R415 PolarHBondContact O-N 3.36Å; R415-M417 VanDerWaalsContact C-N 3.34Å; R415-M417 PolarHBondContact O-N 3.37Å; R415-C418 PolarHBondContact O-N 3.36Å; R415-D419 WeakPolarHBondContact CG-OD2 3.14Å; R415-D419 IonicContact NE-OD2 3.43Å; R415-D419 PolarHBondContact NE-OD2 3.49Å; R415-D419 VanDerWaalsContact O-CB 3.31Å; R415-D419 WeakPolarHBondContact O-CB 3.28Å; R415-D419 PolarHBondContact O-N 2.83Å; R415-D458 HydrophobicContact CG-CB 4.43Å; R415-D458 IonicContact CZ-OD1 2.67Å; R415-D458 IonicContact CZ-OD2 3.48Å; R415-D458 VanDerWaalsContact NH1-CB 3.34Å; R415-D458 IonicContact NH1-OD1 2.9Å; R415-D458 PolarHBondContact NH1-OD1 2.91Å; R415-D458 IonicContact NH1-OD2 3.9Å; R415-D458 PolarHBondContact NH1-OD2 3.35Å; R415-D458 IonicContact NH2-OD1 3.09Å; R415-V459 HydrophobicContact CB-CG2 4.08Å; R415-A462 HydrophobicContact CG-CB 4.35Å
416A87.5Confident86.6Confident14 Ų1430.6 Ų30.612%0.11616%0.159CC..Hα-helixtrans-57.8-45.1-179.500000112T288 K412 L413 C418 D419 H420T288-A416 HydrophobicContact CG2-CB 3.82Å; K412-A416 WeakPolarHBondContact O-CB 3.36Å; K412-A416 PolarHBondContact O-N 2.62Å; L413-A416 PolarHBondContact O-N 3.36Å; A416-C418 PolarHBondContact O-N 3.43Å; A416-D419 PolarHBondContact O-N 2.86Å; A416-H420 PolarHBondContact O-CD2 3.07Å; A416-H420 PolarHBondContact O-N 2.9Å
417M89.7Confident87.1Confident0 Ų032.1 Ų32.10%017%0.165CC..Hα-helixtrans-63.4-42.7177.5-68.3-174.6-59.900112.7A291 S297 F301 L304 L367 L413 I414 R415 N421 V424 I428A291-M417 HydrophobicContact CB-CG 4.28Å; S297-M417 VanDerWaalsContact OG-CA 3.23Å; S297-M417 WeakPolarHBondContact OG-CA 3.49Å; S297-M417 PolarHBondContact OG-O 2.97Å; F301-M417 HydrophobicContact CB-SD 4.13Å; L304-M417 HydrophobicContact CD1-SD 4.39Å; L367-M417 HydrophobicContact CD2-CE 4.34Å; L413-M417 HydrophobicContact CD1-CG 4.33Å; L413-M417 HydrophobicContact CD1-SD 4.48Å; L413-M417 HydrophobicContact CG-CE 4.1Å; L413-M417 HydrophobicContact CG-SD 4.45Å; L413-M417 WeakPolarHBondContact O-CG 3.33Å; L413-M417 PolarHBondContact O-N 3.03Å; I414-M417 HydrophobicContact CG1-CE 4.46Å; I414-M417 PolarHBondContact O-N 3.31Å; R415-M417 VanDerWaalsContact C-N 3.34Å; R415-M417 PolarHBondContact O-N 3.37Å; M417-N421 PolarHBondContact O-N 3.08Å; M417-V424 HydrophobicContact CB-CG1 4.03Å; M417-I428 HydrophobicContact CE-CD1 4.38Å
418C90Very high87.3Confident0 Ų031.2 Ų31.20%016%0.161CC..Hα-helixtrans-71.3-31.5179.2-66.60000112.7I414 R415 A416 R425 A462I414-C418 WeakPolarHBondContact O-CB 3.23Å; I414-C418 PolarHBondContact O-N 2.78Å; I414-C418 PolarHBondContact O-SG 3.48Å; R415-C418 PolarHBondContact O-N 3.36Å; A416-C418 PolarHBondContact O-N 3.43Å; C418-R425 HydrophobicContact CB-CB 4.12Å; C418-R425 HydrophobicContact CB-CG 4.07Å; C418-R425 VanDerWaalsContact O-CZ 3.25Å; C418-R425 PolarHBondContact O-NE 2.95Å; C418-R425 PolarHBondContact O-NH2 3.38Å; C418-A462 HydrophobicContact CB-CB 3.82Å
419D85.5Confident87.2Confident40 Ų4032.1 Ų32.121%0.21416%0.163CC..Hα-helixtrans-68.7-42.6-178.4-85.7-22.9000112R415 A416 A462 K465R415-D419 WeakPolarHBondContact CG-OD2 3.14Å; R415-D419 IonicContact NE-OD2 3.43Å; R415-D419 PolarHBondContact NE-OD2 3.49Å; R415-D419 VanDerWaalsContact O-CB 3.31Å; R415-D419 WeakPolarHBondContact O-CB 3.28Å; R415-D419 PolarHBondContact O-N 2.83Å; A416-D419 PolarHBondContact O-N 2.86Å; D419-A462 WeakPolarHBondContact OD1-CA 3.24Å; D419-A462 WeakPolarHBondContact OD1-CB 3.45Å; D419-K465 VanDerWaalsContact CG-NZ 3.27Å; D419-K465 VanDerWaalsContact OD1-CE 3.28Å; D419-K465 WeakPolarHBondContact OD1-CE 3.34Å; D419-K465 IonicContact OD1-NZ 3.76Å; D419-K465 PolarHBondContact OD1-NZ 3.38Å; D419-K465 IonicContact OD2-NZ 2.75Å
420H83.7Confident87.1Confident88 Ų8835.2 Ų35.241%0.40718%0.184SC..Hα-helixtrans-87.6-21.9-176.2-67.7-67.7000114.4A291 C292 S294 A416A291-H420 PolarHBondContact O-CD2 3.11Å; C292-H420 PolarHBondContact O-CE1 3.42Å; S294-H420 WeakPolarHBondContact CA-O 3.26Å; S294-H420 VanDerWaalsContact CB-O 3.26Å; S294-H420 WeakPolarHBondContact CB-O 3.4Å; S294-H420 PolarHBondContact OG-O 3.26Å; A416-H420 PolarHBondContact O-CD2 3.07Å; A416-H420 PolarHBondContact O-N 2.9Å
421N86.4Confident86.8Confident9 Ų939.1 Ų39.15%0.04820%0.199CC..  trans-134.6115.7-175.9-170.9-38.1000112.8S294 Q298 M417 V423 V424 R425S294-N421 PolarHBondContact O-ND2 3.04Å; Q298-N421 WeakPolarHBondContact CB-ND2 3.28Å; Q298-N421 PolarHBondContact OE1-ND2 3.29Å; M417-N421 PolarHBondContact O-N 3.08Å; N421-V423 PolarHBondContact O-N 3.11Å; N421-V423 WeakPolarHBondContact OD1-CA 3.23Å; N421-V423 WeakPolarHBondContact OD1-CB 3.34Å; N421-V423 PolarHBondContact OD1-N 2.73Å; N421-V424 HydrophobicContact CB-CB 4.17Å; N421-V424 HydrophobicContact CB-CG2 3.96Å; N421-V424 PolarHBondContact OD1-N 3.02Å; N421-R425 PolarHBondContact O-N 3.36Å
422G86.1Confident85.9Confident32 Ų3244.3 Ų44.333%0.3323%0.231SC..Hα-helixtrans-65.1-33.7178.300000114.3R425 E426G422-R425 WeakPolarHBondContact O-CB 3.1Å; G422-R425 PolarHBondContact O-N 2.98Å; G422-E426 WeakPolarHBondContact O-CG 3.49Å; G422-E426 PolarHBondContact O-N 3.42Å
423V87Confident85.1Confident79 Ų7944.9 Ų44.948%0.47924%0.235SC..Hα-helixtrans-68.8-45179-177.80000110.6N421 R425 E426 I427N421-V423 PolarHBondContact O-N 3.11Å; N421-V423 WeakPolarHBondContact OD1-CA 3.23Å; N421-V423 WeakPolarHBondContact OD1-CB 3.34Å; N421-V423 PolarHBondContact OD1-N 2.73Å; V423-R425 VanDerWaalsContact C-N 3.28Å; V423-R425 PolarHBondContact O-N 3.1Å; V423-E426 PolarHBondContact O-N 3.22Å; V423-I427 HydrophobicContact CG1-CD1 3.87Å; V423-I427 HydrophobicContact CG1-CG1 4.48Å; V423-I427 VanDerWaalsContact O-CG1 3.27Å; V423-I427 WeakPolarHBondContact O-CG1 3.43Å; V423-I427 PolarHBondContact O-N 3.41Å
424V86.1Confident84.5Confident0 Ų045.6 Ų45.60%024%0.238CC..Hα-helixtrans-60.7-42176.1176.80000110.7F301 M417 N421 I427 I428F301-V424 HydrophobicContact CB-CG1 4.1Å; F301-V424 HydrophobicContact CB-CG2 3.97Å; F301-V424 HydrophobicContact CD1-CG2 4.3Å; F301-V424 HydrophobicContact CD2-CG1 3.63Å; F301-V424 HydrophobicContact CE2-CG1 4.2Å; F301-V424 HydrophobicContact CG-CG1 3.87Å; F301-V424 HydrophobicContact CG-CG2 4.07Å; M417-V424 HydrophobicContact CB-CG1 4.03Å; N421-V424 HydrophobicContact CB-CB 4.17Å; N421-V424 HydrophobicContact CB-CG2 3.96Å; N421-V424 PolarHBondContact OD1-N 3.02Å; V424-I427 PolarHBondContact O-N 3.39Å; V424-I428 HydrophobicContact CG1-CD1 3.59Å; V424-I428 HydrophobicContact CG1-CG1 4.25Å; V424-I428 WeakPolarHBondContact O-CG1 3.34Å; V424-I428 PolarHBondContact O-N 3.36Å
425R89.4Confident84Confident22 Ų2250.3 Ų50.38%0.08326%0.26CS..Hα-helixtrans-58.5-47.4175.8-171.2-167.7-54.2159.82.6112.1C418 N421 G422 V423 I428 F429 A462 F463 T466C418-R425 HydrophobicContact CB-CB 4.12Å; C418-R425 HydrophobicContact CB-CG 4.07Å; C418-R425 VanDerWaalsContact O-CZ 3.25Å; C418-R425 PolarHBondContact O-NE 2.95Å; C418-R425 PolarHBondContact O-NH2 3.38Å; N421-R425 PolarHBondContact O-N 3.36Å; G422-R425 WeakPolarHBondContact O-CB 3.1Å; G422-R425 PolarHBondContact O-N 2.98Å; V423-R425 VanDerWaalsContact C-N 3.28Å; V423-R425 PolarHBondContact O-N 3.1Å; R425-I428 PolarHBondContact O-N 3.26Å; R425-F429 VanDerWaalsContact O-CB 3.25Å; R425-F429 WeakPolarHBondContact O-CB 3.15Å; R425-F429 PolarHBondContact O-N 3.3Å; R425-A462 WeakPolarHBondContact CD-O 3.26Å; R425-A462 PolarHBondContact NE-O 3.21Å; R425-A462 VanDerWaalsContact NE-O 3.09Å; R425-F463 HydrophobicContact CG-CD1 3.75Å; R425-F463 HydrophobicContact CG-CE1 4.36Å; R425-T466 PolarHBondContact NH1-OG1 2.9Å; R425-T466 VanDerWaalsContact NH1-OG1 3.17Å
426E86Confident83.6Confident96 Ų9646.7 Ų46.745%0.44925%0.247SC..Hα-helixtrans-62.2-42.9176.5-73.6179.5-178.800112.1G422 V423 F429 S430 Y469G422-E426 WeakPolarHBondContact O-CG 3.49Å; G422-E426 PolarHBondContact O-N 3.42Å; V423-E426 PolarHBondContact O-N 3.22Å; E426-F429 PolarHBondContact O-N 3.4Å; E426-S430 WeakPolarHBondContact O-CB 3.2Å; E426-S430 PolarHBondContact O-N 3.43Å; E426-S430 PolarHBondContact O-OG 3.18Å; E426-Y469 HydrophobicContact CG-CE2 4.04Å
427I85.4Confident83.4Confident42 Ų4247 Ų4722%0.21525%0.248CC..Hα-helixtrans-65.3-45179.6-65.5166.6000111F301 V423 V424 F429 R431F301-I427 HydrophobicContact CE1-CD1 4.24Å; F301-I427 HydrophobicContact CE1-CG2 4.22Å; F301-I427 HydrophobicContact CZ-CB 4.31Å; F301-I427 HydrophobicContact CZ-CG2 3.63Å; V423-I427 HydrophobicContact CG1-CD1 3.87Å; V423-I427 HydrophobicContact CG1-CG1 4.48Å; V423-I427 VanDerWaalsContact O-CG1 3.27Å; V423-I427 WeakPolarHBondContact O-CG1 3.43Å; V423-I427 PolarHBondContact O-N 3.41Å; V424-I427 PolarHBondContact O-N 3.39Å; I427-F429 VanDerWaalsContact C-N 3.35Å; I427-R431 HydrophobicContact CG2-CG 4.11Å; I427-R431 VanDerWaalsContact O-CB 3.23Å; I427-R431 WeakPolarHBondContact O-CB 3.49Å; I427-R431 WeakPolarHBondContact O-CG 3.45Å; I427-R431 PolarHBondContact O-N 2.8Å; I427-R431 VanDerWaalsContact O-N 3.12Å
428I85.8Confident83Confident0 Ų050.7 Ų50.70%027%0.267CS..Hα-helixtrans-65.9-39.3179.2-67.9169.9000110.9F301 F371 I414 M417 V424 R425 W434 F463F301-I428 HydrophobicContact CD2-CD1 4.39Å; F301-I428 HydrophobicContact CE2-CD1 4.28Å; F301-I428 HydrophobicContact CE2-CG1 3.95Å; F371-I428 HydrophobicContact CZ-CG2 4.1Å; I414-I428 HydrophobicContact CG2-CD1 4.48Å; M417-I428 HydrophobicContact CE-CD1 4.38Å; V424-I428 HydrophobicContact CG1-CD1 3.59Å; V424-I428 HydrophobicContact CG1-CG1 4.25Å; V424-I428 WeakPolarHBondContact O-CG1 3.34Å; V424-I428 PolarHBondContact O-N 3.36Å; R425-I428 PolarHBondContact O-N 3.26Å; I428-W434 HydrophobicContact CG1-CZ3 4.01Å; I428-F463 HydrophobicContact CB-CE1 4.46Å; I428-F463 HydrophobicContact CG2-CE1 4.06Å; I428-F463 HydrophobicContact CG2-CZ 3.85Å
429F84.4Confident82.7Confident41 Ų4150.9 Ų50.918%0.1827%0.268CS..Hα-helixtrans-72-43.1-179.4-169.6-89.1000113R425 E426 I427 T437 F463 Y469 M473R425-F429 VanDerWaalsContact O-CB 3.25Å; R425-F429 WeakPolarHBondContact O-CB 3.15Å; R425-F429 PolarHBondContact O-N 3.3Å; E426-F429 PolarHBondContact O-N 3.4Å; I427-F429 VanDerWaalsContact C-N 3.35Å; F429-T437 HydrophobicContact CD2-CG2 3.75Å; F429-T437 HydrophobicContact CE2-CG2 3.41Å; F429-T437 VanDerWaalsContact CE2-CG2 3.41Å; F429-T437 HydrophobicContact CZ-CG2 4.06Å; F429-F463 HydrophobicContact CB-CD1 4.41Å; F429-F463 HydrophobicContact CB-CE1 4.39Å; F429-F463 HydrophobicContact CD2-CB 4.16Å; F429-F463 HydrophobicContact CD2-CD1 4.06Å; F429-F463 AromaticContact CD2-CD2 3.94Å; F429-F463 HydrophobicContact CD2-CD2 3.94Å; F429-F463 HydrophobicContact CD2-CE1 4.47Å; F429-F463 HydrophobicContact CD2-CE2 4.35Å; F429-F463 AromaticContact CD2-CG 3.81Å; F429-F463 HydrophobicContact CD2-CG 3.81Å; F429-F463 HydrophobicContact CE2-CB 4.41Å; F429-F463 HydrophobicContact CE2-CD2 4.36Å; F429-F463 HydrophobicContact CE2-CG 4.4Å; F429-Y469 HydrophobicContact CB-CD2 4.4Å; F429-Y469 HydrophobicContact CB-CE2 4.02Å; F429-Y469 AromaticContact CD1-CD1 3.48Å; F429-Y469 HydrophobicContact CD1-CD1 3.48Å; F429-Y469 VanDerWaalsContact CD1-CD1 3.48Å; F429-Y469 HydrophobicContact CD1-CD2 4.22Å; F429-Y469 AromaticContact CD1-CE1 3.25Å; F429-Y469 HydrophobicContact CD1-CE1 3.25Å; F429-Y469 HydrophobicContact CD1-CE2 4.05Å; F429-Y469 AromaticContact CD1-CG 3.98Å; F429-Y469 HydrophobicContact CD1-CG 3.98Å; F429-Y469 AromaticContact CD1-CZ 3.58Å; F429-Y469 HydrophobicContact CD2-CD1 4.49Å; F429-Y469 HydrophobicContact CD2-CD2 4.32Å; F429-Y469 HydrophobicContact CD2-CG 4.24Å; F429-Y469 AromaticContact CE1-CD1 3.28Å; F429-Y469 HydrophobicContact CE1-CD1 3.28Å; F429-Y469 AromaticContact CE1-CE1 3.46Å; F429-Y469 HydrophobicContact CE1-CE1 3.46Å; F429-Y469 VanDerWaalsContact CE1-CE1 3.46Å; F429-Y469 AromaticContact CE1-CG 3.95Å; F429-Y469 HydrophobicContact CE1-CG 3.95Å; F429-Y469 HydrophobicContact CE2-CD1 4.33Å; F429-Y469 HydrophobicContact CE2-CG 4.19Å; F429-Y469 HydrophobicContact CG-CD1 4.1Å; F429-Y469 HydrophobicContact CG-CD2 4.05Å; F429-Y469 HydrophobicContact CG-CE1 4.04Å; F429-Y469 HydrophobicContact CG-CE2 4.01Å; F429-Y469 HydrophobicContact CG-CG 4.12Å; F429-Y469 AromaticContact CG-CZ 4Å; F429-Y469 AromaticContact CZ-CD1 3.75Å; F429-Y469 HydrophobicContact CZ-CD1 3.75Å; F429-Y469 HydrophobicContact CZ-CE1 4.36Å; F429-Y469 HydrophobicContact CZ-CG 4.06Å; F429-M473 HydrophobicContact CE2-CE 3.47Å; F429-M473 VanDerWaalsContact CE2-CE 3.47Å; F429-M473 HydrophobicContact CZ-CE 3.8Å
430S80.7Confident82.7Confident74 Ų7449 Ų4952%0.51726%0.258SS..Hα-helixtrans-85.3-18.8-173.463.30000114.5E426 T432E426-S430 WeakPolarHBondContact O-CB 3.2Å; E426-S430 PolarHBondContact O-N 3.43Å; E426-S430 PolarHBondContact O-OG 3.18Å; S430-T432 PolarHBondContact O-N 3.07Å
431R79.9Confident82.7Confident87 Ų8746.3 Ų46.333%0.32825%0.247SC..  trans-68.3106-179-87.8-177.8-179.9-162.85.2111.6I427 E433 W434I427-R431 HydrophobicContact CG2-CG 4.11Å; I427-R431 VanDerWaalsContact O-CB 3.23Å; I427-R431 WeakPolarHBondContact O-CB 3.49Å; I427-R431 WeakPolarHBondContact O-CG 3.45Å; I427-R431 PolarHBondContact O-N 2.8Å; I427-R431 VanDerWaalsContact O-N 3.12Å; R431-E433 VanDerWaalsContact C-N 3.31Å; R431-E433 PolarHBondContact O-N 3.31Å; R431-W434 HydrophobicContact CB-CD2 4.38Å; R431-W434 HydrophobicContact CB-CE3 4.22Å; R431-W434 VanDerWaalsContact NH1-CH2 3.33Å; R431-W434 PolarHBondContact O-N 3.19Å
432T70.9Confident82.3Confident109 Ų10948 Ų4867%0.66925%0.254SS*.G310 helixtrans-60.7-35.4178.253.10000112.9S430 W434 H435S430-T432 PolarHBondContact O-N 3.07Å; T432-W434 PolarHBondContact O-N 3.08Å; T432-W434 VanDerWaalsContact O-N 3.09Å; T432-H435 PolarHBondContact O-CD2 3.35Å; T432-H435 PolarHBondContact O-CE1 3.4Å; T432-H435 VanDerWaalsContact O-CG 3.25Å; T432-H435 PolarHBondContact O-N 3.21Å; T432-H435 PolarHBondContact O-ND1 3.4Å; T432-H435 PolarHBondContact O-NE2 3.41Å
433E72.9Confident82.1Confident131 Ų13146.5 Ų46.561%0.61224%0.239SC*.G310 helixtrans-56.2-29.8-179.6-70.5-176.9-168.800114.3R368 R431R368-E433 IonicContact CZ-OE2 2.85Å; R368-E433 IonicContact NE-OE2 2.68Å; R368-E433 IonicContact NH2-OE2 2.73Å; R368-E433 PolarHBondContact NH2-OE2 3.18Å; R368-E433 VanDerWaalsContact NH2-OE2 3.09Å; R431-E433 VanDerWaalsContact C-N 3.31Å; R431-E433 PolarHBondContact O-N 3.31Å
434W77.4Confident81.8Confident14 Ų1443 Ų435%0.05322%0.217CC..G310 helixtrans-96.3-17.6-174.1-60.8-15.6000113F301 L367 F371 I428 R431 T432 C436F301-W434 HydrophobicContact CE2-CH2 4.01Å; F301-W434 HydrophobicContact CE2-CZ3 4.2Å; F301-W434 HydrophobicContact CZ-CH2 4.18Å; L367-W434 HydrophobicContact CB-CH2 4.28Å; L367-W434 HydrophobicContact CB-CZ2 4.3Å; L367-W434 HydrophobicContact CD1-CH2 4.41Å; F371-W434 HydrophobicContact CB-CB 4.08Å; F371-W434 HydrophobicContact CB-CG 4.1Å; F371-W434 HydrophobicContact CD1-CB 4.33Å; F371-W434 HydrophobicContact CD2-CB 4.16Å; F371-W434 AromaticContact CD2-CD2 3.54Å; F371-W434 HydrophobicContact CD2-CD2 3.54Å; F371-W434 AromaticContact CD2-CE3 3.68Å; F371-W434 HydrophobicContact CD2-CE3 3.68Å; F371-W434 AromaticContact CD2-CG 3.78Å; F371-W434 HydrophobicContact CD2-CG 3.78Å; F371-W434 HydrophobicContact CD2-CZ3 4.27Å; F371-W434 AromaticContact CE2-CD2 3.86Å; F371-W434 HydrophobicContact CE2-CD2 3.86Å; F371-W434 AromaticContact CE2-CE3 3.45Å; F371-W434 HydrophobicContact CE2-CE3 3.45Å; F371-W434 VanDerWaalsContact CE2-CE3 3.45Å; F371-W434 HydrophobicContact CE2-CG 4.44Å; F371-W434 HydrophobicContact CE2-CH2 4.44Å; F371-W434 AromaticContact CE2-CZ3 3.8Å; F371-W434 HydrophobicContact CE2-CZ3 3.8Å; F371-W434 HydrophobicContact CG-CB 3.95Å; F371-W434 HydrophobicContact CG-CD2 4.24Å; F371-W434 AromaticContact CG-CG 3.99Å; F371-W434 HydrophobicContact CG-CG 3.99Å; F371-W434 HydrophobicContact CZ-CE3 4.17Å; I428-W434 HydrophobicContact CG1-CZ3 4.01Å; R431-W434 HydrophobicContact CB-CD2 4.38Å; R431-W434 HydrophobicContact CB-CE3 4.22Å; R431-W434 VanDerWaalsContact NH1-CH2 3.33Å; R431-W434 PolarHBondContact O-N 3.19Å; T432-W434 PolarHBondContact O-N 3.08Å; T432-W434 VanDerWaalsContact O-N 3.09Å; W434-C436 PolarHBondContact O-N 3.13Å
435H78.5Confident81.4Confident99 Ų9945.3 Ų45.346%0.45823%0.233SC..  trans43.538.1-177.3-65.5-73000113.4T432 T437 D438 V439T432-H435 PolarHBondContact O-CD2 3.35Å; T432-H435 PolarHBondContact O-CE1 3.4Å; T432-H435 VanDerWaalsContact O-CG 3.25Å; T432-H435 PolarHBondContact O-N 3.21Å; T432-H435 PolarHBondContact O-ND1 3.4Å; T432-H435 PolarHBondContact O-NE2 3.41Å; H435-T437 PolarHBondContact O-N 3.27Å; H435-D438 HydrophobicContact CB-CB 4.44Å; H435-D438 IonicContact ND1-OD2 3.47Å; H435-D438 PolarHBondContact O-N 3.04Å; H435-D438 VanDerWaalsContact O-N 3.09Å; H435-V439 HydrophobicContact CB-CG2 4.16Å; H435-V439 WeakPolarHBondContact O-CG2 3.43Å; H435-V439 PolarHBondContact O-N 3.48Å
436C83.3Confident80.7Confident3 Ų344.3 Ų44.32%0.0223%0.23CC..Hα-helixtrans-55.3-48.9-165.4-179.50000112.5F371 W434 D438 L440F371-C436 HydrophobicContact CE1-CB 4.09Å; W434-C436 PolarHBondContact O-N 3.13Å; C436-D438 PolarHBondContact O-N 2.98Å; C436-L440 WeakPolarHBondContact O-CB 3.5Å; C436-L440 WeakPolarHBondContact O-CG 3.48Å; C436-L440 PolarHBondContact O-N 2.97Å
437T82.3Confident80.1Confident22 Ų2244.2 Ų44.214%0.13524%0.239CC..Hα-helixtrans-61.1-43.9179.450.80000112.3F429 H435 L441 M473F429-T437 HydrophobicContact CD2-CG2 3.75Å; F429-T437 HydrophobicContact CE2-CG2 3.41Å; F429-T437 VanDerWaalsContact CE2-CG2 3.41Å; F429-T437 HydrophobicContact CZ-CG2 4.06Å; H435-T437 PolarHBondContact O-N 3.27Å; T437-L441 WeakPolarHBondContact O-CB 3.25Å; T437-L441 PolarHBondContact O-N 3.46Å; T437-M473 HydrophobicContact CG2-CE 4.22Å
438D81.9Confident79.7Confident76 Ų7643.1 Ų43.141%0.40624%0.235SC..Hα-helixtrans-66.2-54.4-179.3-60.6-34000109.1H435 C436 L440 L441 Q442H435-D438 HydrophobicContact CB-CB 4.44Å; H435-D438 IonicContact ND1-OD2 3.47Å; H435-D438 PolarHBondContact O-N 3.04Å; H435-D438 VanDerWaalsContact O-N 3.09Å; C436-D438 PolarHBondContact O-N 2.98Å; D438-L440 VanDerWaalsContact C-N 3.35Å; D438-L440 PolarHBondContact O-N 3.36Å; D438-L441 CarbonylContact O-C 3.5Å; D438-L441 PolarHBondContact O-N 3.4Å; D438-L441 VanDerWaalsContact O-N 3.1Å; D438-Q442 WeakPolarHBondContact O-CG 3.38Å; D438-Q442 PolarHBondContact O-N 3.12Å
439V84Confident79.4Confident4 Ų445.6 Ų45.62%0.02425%0.251CS..Hα-helixtrans-54.7-47.6-179.6174.40000111.8L374 D375 A378 H435 L441 Q442 I443L374-V439 HydrophobicContact CB-CG1 4.04Å; D375-V439 HydrophobicContact CB-CG1 4.39Å; D375-V439 HydrophobicContact CB-CG2 3.86Å; D375-V439 WeakPolarHBondContact OD1-CG2 3.28Å; A378-V439 HydrophobicContact CB-CG1 4.17Å; H435-V439 HydrophobicContact CB-CG2 4.16Å; H435-V439 WeakPolarHBondContact O-CG2 3.43Å; H435-V439 PolarHBondContact O-N 3.48Å; V439-L441 PolarHBondContact O-N 2.68Å; V439-Q442 WeakPolarHBondContact O-CB 3.37Å; V439-Q442 PolarHBondContact O-N 2.91Å; V439-I443 HydrophobicContact CG1-CD1 4.2Å; V439-I443 WeakPolarHBondContact O-CG1 3.19Å; V439-I443 PolarHBondContact O-N 3.01Å
440L85.5Confident79.1Confident2 Ų246.7 Ų46.71%0.0126%0.263CS..Hα-helixtrans-65.6-38.9179-67.6-177.7000112.3L374 L411 C436 D438 Q442 I443 L444 I456 V459 F460L374-L440 HydrophobicContact CD1-CD2 4.44Å; L411-L440 HydrophobicContact CD2-CD1 4.48Å; L411-L440 HydrophobicContact CD2-CD2 3.57Å; C436-L440 WeakPolarHBondContact O-CB 3.5Å; C436-L440 WeakPolarHBondContact O-CG 3.48Å; C436-L440 PolarHBondContact O-N 2.97Å; D438-L440 VanDerWaalsContact C-N 3.35Å; D438-L440 PolarHBondContact O-N 3.36Å; L440-Q442 VanDerWaalsContact C-N 3.33Å; L440-I443 PolarHBondContact O-N 3.41Å; L440-L444 WeakPolarHBondContact O-CB 3.19Å; L440-L444 PolarHBondContact O-N 2.83Å; L440-I456 HydrophobicContact CB-CG2 3.96Å; L440-I456 HydrophobicContact CD2-CG1 4.3Å; L440-V459 HydrophobicContact CD1-CB 4.42Å; L440-V459 HydrophobicContact CD1-CG1 3.88Å; L440-F460 HydrophobicContact CB-CE1 3.89Å; L440-F460 HydrophobicContact CB-CZ 3.8Å; L440-F460 HydrophobicContact CD1-CE1 4.1Å
441L81.8Confident79.1Confident31 Ų3145 Ų4516%0.16226%0.258CS..Hα-helixtrans-67.7-35.6175.5-169.2119.6000111.7T437 D438 V439 L444 S445 F460 L476T437-L441 WeakPolarHBondContact O-CB 3.25Å; T437-L441 PolarHBondContact O-N 3.46Å; D438-L441 CarbonylContact O-C 3.5Å; D438-L441 PolarHBondContact O-N 3.4Å; D438-L441 VanDerWaalsContact O-N 3.1Å; V439-L441 PolarHBondContact O-N 2.68Å; L441-L444 PolarHBondContact O-N 3.38Å; L441-S445 WeakPolarHBondContact O-CB 3.46Å; L441-S445 PolarHBondContact O-N 2.84Å; L441-S445 PolarHBondContact O-OG 3.31Å; L441-F460 HydrophobicContact CB-CZ 4.42Å; L441-L476 HydrophobicContact CD1-CB 3.94Å; L441-L476 HydrophobicContact CD1-CD1 4.36Å; L441-L476 HydrophobicContact CD1-CD2 4.38Å; L441-L476 HydrophobicContact CD1-CG 4.46Å
442Q78.2Confident79.3Confident44 Ų4440.9 Ų40.921%0.20624%0.243CC..Hα-helixtrans-61.8-44.8173.8-66.6-172.331.600111.1A378 R382 D438 V439 L440 S445 C446A378-Q442 HydrophobicContact CB-CB 4.3Å; R382-Q442 VanDerWaalsContact CZ-CB 3.44Å; R382-Q442 VanDerWaalsContact NH1-CG 3.31Å; R382-Q442 VanDerWaalsContact NH2-CG 3.33Å; D438-Q442 WeakPolarHBondContact O-CG 3.38Å; D438-Q442 PolarHBondContact O-N 3.12Å; V439-Q442 WeakPolarHBondContact O-CB 3.37Å; V439-Q442 PolarHBondContact O-N 2.91Å; L440-Q442 VanDerWaalsContact C-N 3.33Å; Q442-S445 PolarHBondContact O-N 3.39Å; Q442-S445 PolarHBondContact O-OG 2.88Å; Q442-C446 PolarHBondContact O-SG 2.85Å
443I82Confident80Confident1 Ų135.8 Ų35.81%0.00521%0.211CC..Hα-helixtrans-65.1-44.4176.2-63.2167.8000110.5A378 V439 L440 S445 C446 V448 L452 I456A378-I443 HydrophobicContact CB-CD1 4.16Å; A378-I443 HydrophobicContact CB-CG1 3.6Å; V439-I443 HydrophobicContact CG1-CD1 4.2Å; V439-I443 WeakPolarHBondContact O-CG1 3.19Å; V439-I443 PolarHBondContact O-N 3.01Å; L440-I443 PolarHBondContact O-N 3.41Å; I443-S445 VanDerWaalsContact C-N 3.26Å; I443-S445 PolarHBondContact O-N 2.95Å; I443-C446 WeakPolarHBondContact O-CB 3.31Å; I443-C446 PolarHBondContact O-N 3.15Å; I443-V448 HydrophobicContact CG2-CG1 3.88Å; I443-V448 HydrophobicContact CG2-CG2 4.4Å; I443-V448 WeakPolarHBondContact O-CG2 3.48Å; I443-L452 HydrophobicContact CG2-CD2 4.1Å; I443-I456 HydrophobicContact CB-CD1 4.01Å; I443-I456 HydrophobicContact CG2-CD1 3.65Å
444L81Confident80.6Confident5 Ų530.8 Ų30.83%0.02619%0.19CC..Hα-helixtrans-62.9-31.6180-169.867.1000112.8L440 L441 C446 A453 I456 L457 F460 K482 I483L440-L444 WeakPolarHBondContact O-CB 3.19Å; L440-L444 PolarHBondContact O-N 2.83Å; L441-L444 PolarHBondContact O-N 3.38Å; L444-C446 VanDerWaalsContact C-N 3.26Å; L444-C446 PolarHBondContact O-N 3.3Å; L444-A453 HydrophobicContact CD1-CB 3.78Å; L444-I456 HydrophobicContact CB-CD1 4.48Å; L444-I456 HydrophobicContact CB-CG2 4.35Å; L444-I456 HydrophobicContact CD1-CG2 4.49Å; L444-I456 HydrophobicContact CD2-CG2 4.44Å; L444-L457 HydrophobicContact CD2-CD2 4.05Å; L444-F460 HydrophobicContact CD2-CE2 4.09Å; L444-K482 WeakPolarHBondContact O-CD 3.25Å; L444-K482 PolarHBondContact O-NZ 3.11Å; L444-I483 HydrophobicContact CD2-CD1 3.86Å; L444-I483 HydrophobicContact CD2-CG1 4.46Å
445S77.2Confident81Confident48 Ų4830.5 Ų30.534%0.33619%0.191SC..Hα-helixtrans-68.6-20.4175.665.10000114.1R382 L441 Q442 I443R382-S445 PolarHBondContact NH2-OG 3.2Å; L441-S445 WeakPolarHBondContact O-CB 3.46Å; L441-S445 PolarHBondContact O-N 2.84Å; L441-S445 PolarHBondContact O-OG 3.31Å; Q442-S445 PolarHBondContact O-N 3.39Å; Q442-S445 PolarHBondContact O-OG 2.88Å; I443-S445 VanDerWaalsContact C-N 3.26Å; I443-S445 PolarHBondContact O-N 2.95Å
446C76.3Confident81.5Confident2 Ų225.8 Ų25.81%0.01417%0.169CC..SBendtrans-87.3173.2178.5-53.20000112I381 E385 Q442 I443 L444 V448 K482I381-C446 HydrophobicContact CG2-CB 3.54Å; E385-C446 VanDerWaalsContact OE1-CA 3.28Å; E385-C446 WeakPolarHBondContact OE1-CA 3.29Å; E385-C446 WeakPolarHBondContact OE1-CB 3.43Å; Q442-C446 PolarHBondContact O-SG 2.85Å; I443-C446 WeakPolarHBondContact O-CB 3.31Å; I443-C446 PolarHBondContact O-N 3.15Å; L444-C446 VanDerWaalsContact C-N 3.26Å; L444-C446 PolarHBondContact O-N 3.3Å; C446-V448 PolarHBondContact O-N 2.74Å; C446-V448 VanDerWaalsContact O-N 3.08Å; C446-K482 PolarHBondContact O-NZ 3Å
447S73.5Confident81.7Confident93 Ų9325.7 Ų25.765%0.6517%0.168SC*.  trans-79.678.6173.967.80000111.3E385E385-S447 PolarHBondContact OE1-N 2.89Å; E385-S447 PolarHBondContact OE1-OG 3.38Å
448V76.1Confident82Confident20 Ų2025.6 Ų25.612%0.12117%0.167CC..  trans-100.4151.9175.6-89.40000112.6I381 M399 I443 C446 L452I381-V448 HydrophobicContact CD1-CG1 4.32Å; M399-V448 HydrophobicContact CE-CG1 4.48Å; I443-V448 HydrophobicContact CG2-CG1 3.88Å; I443-V448 HydrophobicContact CG2-CG2 4.4Å; I443-V448 WeakPolarHBondContact O-CG2 3.48Å; C446-V448 PolarHBondContact O-N 2.74Å; C446-V448 VanDerWaalsContact O-N 3.08Å; V448-L452 HydrophobicContact CB-CD2 4.05Å; V448-L452 HydrophobicContact CB-CG 4.49Å; V448-L452 HydrophobicContact CG1-CD2 3.6Å; V448-L452 HydrophobicContact CG1-CG 4.49Å
449P79.7Confident82.3Confident51 Ų5122 Ų2233%0.33115%0.147SC..  trans-54.9146.7173.1-26.237.6000112.4M399 T404 G451 L452 A453M399-P449 HydrophobicContact CE-CB 4.49Å; M399-P449 HydrophobicContact CE-CG 3.54Å; T404-P449 HydrophobicContact CG2-CB 4.35Å; T404-P449 HydrophobicContact CG2-CG 4.4Å; P449-G451 VanDerWaalsContact C-N 3.27Å; P449-G451 PolarHBondContact O-N 3.35Å; P449-L452 PolarHBondContact O-N 2.92Å; P449-A453 PolarHBondContact O-N 2.76Å; P449-A453 VanDerWaalsContact O-N 3.13Å
450S78.6Confident82.7Confident64 Ų6421.9 Ų21.945%0.44815%0.146SC..Hα-helixtrans-54.7-41.3-177.254.50000112.6L452 A453 V454S450-L452 VanDerWaalsContact C-N 3.32Å; S450-L452 PolarHBondContact O-N 3.31Å; S450-A453 PolarHBondContact O-N 2.99Å; S450-V454 WeakPolarHBondContact O-CG2 3.18Å; S450-V454 PolarHBondContact O-N 3.27Å
451G79.9Confident82.8Confident40 Ų4022 Ų2241%0.41215%0.148SC..Hα-helixtrans-60.4-36.9178.100000114.1P449 A455P449-G451 VanDerWaalsContact C-N 3.27Å; P449-G451 PolarHBondContact O-N 3.35Å; G451-A455 PolarHBondContact O-N 2.7Å
452L84.5Confident83.2Confident0 Ų020.5 Ų20.50%014%0.14CC..Hα-helixtrans-72.3-43.2175.117657.6000111.2M399 T404 I407 V408 L411 I443 V448 P449 S450 V454 A455 I456M399-L452 HydrophobicContact CE-CB 4.22Å; M399-L452 HydrophobicContact CE-CD2 3.44Å; M399-L452 VanDerWaalsContact CE-CD2 3.44Å; M399-L452 HydrophobicContact CE-CG 4.45Å; M399-L452 HydrophobicContact SD-CD2 4.14Å; T404-L452 HydrophobicContact CG2-CB 4.33Å; I407-L452 HydrophobicContact CB-CD1 4.12Å; I407-L452 HydrophobicContact CG2-CD1 3.37Å; I407-L452 HydrophobicContact CG2-CD2 4.47Å; V408-L452 HydrophobicContact CG2-CB 4.2Å; V408-L452 HydrophobicContact CG2-CD1 4.13Å; L411-L452 HydrophobicContact CD1-CD1 3.58Å; I443-L452 HydrophobicContact CG2-CD2 4.1Å; V448-L452 HydrophobicContact CB-CD2 4.05Å; V448-L452 HydrophobicContact CB-CG 4.49Å; V448-L452 HydrophobicContact CG1-CD2 3.6Å; V448-L452 HydrophobicContact CG1-CG 4.49Å; P449-L452 PolarHBondContact O-N 2.92Å; S450-L452 VanDerWaalsContact C-N 3.32Å; S450-L452 PolarHBondContact O-N 3.31Å; L452-V454 VanDerWaalsContact C-N 3.33Å; L452-V454 PolarHBondContact O-N 3.38Å; L452-A455 PolarHBondContact O-N 3.42Å; L452-I456 HydrophobicContact CD1-CD1 4.32Å; L452-I456 HydrophobicContact CD1-CG1 4.37Å; L452-I456 HydrophobicContact CG-CD1 4.2Å; L452-I456 WeakPolarHBondContact O-CG1 3.35Å; L452-I456 PolarHBondContact O-N 2.78Å
453A85Confident83.7Confident1 Ų118.4 Ų18.41%0.00813%0.13CC..Hα-helixtrans-62.5-39.6179.200000112.3L444 P449 S450 I456 L457 L508L444-A453 HydrophobicContact CD1-CB 3.78Å; P449-A453 PolarHBondContact O-N 2.76Å; P449-A453 VanDerWaalsContact O-N 3.13Å; S450-A453 PolarHBondContact O-N 2.99Å; A453-I456 PolarHBondContact O-N 3.15Å; A453-L457 VanDerWaalsContact O-CG 3.32Å; A453-L457 WeakPolarHBondContact O-CG 2.93Å; A453-L457 PolarHBondContact O-N 3.42Å; A453-L508 HydrophobicContact CB-CD1 3.33Å
454V85.7Confident84Confident27 Ų2718.4 Ų18.416%0.16413%0.13CC..Hα-helixtrans-63.7-44.4173.4174.70000111.2S450 L452 I456 L457 D458 P507S450-V454 WeakPolarHBondContact O-CG2 3.18Å; S450-V454 PolarHBondContact O-N 3.27Å; L452-V454 VanDerWaalsContact C-N 3.33Å; L452-V454 PolarHBondContact O-N 3.38Å; V454-I456 VanDerWaalsContact C-N 3.27Å; V454-I456 PolarHBondContact O-N 3.38Å; V454-L457 PolarHBondContact O-N 3.31Å; V454-L457 VanDerWaalsContact O-N 3.13Å; V454-D458 WeakPolarHBondContact O-CB 3.09Å; V454-D458 PolarHBondContact O-N 3.49Å; V454-P507 VanDerWaalsContact CG2-C 3.42Å; V454-P507 HydrophobicContact CG2-CB 3.93Å; V454-P507 WeakPolarHBondContact CG2-O 3.46Å
455A86.3Confident84.3Confident8 Ų821.1 Ų21.17%0.06614%0.142CC..Hα-helixtrans-61.3-35.1177.400000112.7V408 L411 G451 L452 V459V408-A455 HydrophobicContact CG1-CB 4.23Å; V408-A455 HydrophobicContact CG2-CB 4.18Å; L411-A455 HydrophobicContact CB-CB 4.1Å; L411-A455 HydrophobicContact CD1-CB 3.95Å; G451-A455 PolarHBondContact O-N 2.7Å; L452-A455 PolarHBondContact O-N 3.42Å; A455-V459 WeakPolarHBondContact O-CG2 3.24Å; A455-V459 PolarHBondContact O-N 3.05Å
456I88.4Confident84.7Confident0 Ų020 Ų200%013%0.133CC..Hα-helixtrans-66.4-47.8172.8-66.9169.3000110.9L411 L440 I443 L444 L452 A453 V454 D458 V459 F460L411-I456 HydrophobicContact CD1-CG1 3.59Å; L440-I456 HydrophobicContact CB-CG2 3.96Å; L440-I456 HydrophobicContact CD2-CG1 4.3Å; I443-I456 HydrophobicContact CB-CD1 4.01Å; I443-I456 HydrophobicContact CG2-CD1 3.65Å; L444-I456 HydrophobicContact CB-CD1 4.48Å; L444-I456 HydrophobicContact CB-CG2 4.35Å; L444-I456 HydrophobicContact CD1-CG2 4.49Å; L444-I456 HydrophobicContact CD2-CG2 4.44Å; L452-I456 HydrophobicContact CD1-CD1 4.32Å; L452-I456 HydrophobicContact CD1-CG1 4.37Å; L452-I456 HydrophobicContact CG-CD1 4.2Å; L452-I456 WeakPolarHBondContact O-CG1 3.35Å; L452-I456 PolarHBondContact O-N 2.78Å; A453-I456 PolarHBondContact O-N 3.15Å; V454-I456 VanDerWaalsContact C-N 3.27Å; V454-I456 PolarHBondContact O-N 3.38Å; I456-D458 VanDerWaalsContact C-N 3.27Å; I456-D458 PolarHBondContact O-N 3.29Å; I456-V459 WeakPolarHBondContact O-CB 3.4Å; I456-V459 PolarHBondContact O-N 3.17Å; I456-V459 VanDerWaalsContact O-N 3.16Å; I456-F460 HydrophobicContact CG2-CD2 4.23Å; I456-F460 HydrophobicContact CG2-CE2 3.77Å; I456-F460 HydrophobicContact CG2-CZ 3.94Å; I456-F460 PolarHBondContact O-N 2.7Å
457L87.7Confident85Confident1 Ų122.3 Ų22.31%0.00515%0.149CC..Hα-helixtrans-62.2-36.5178.7-70.4167.5000111.7L444 A453 V454 V459 F460 A461 F477 L508 I512 V515L444-L457 HydrophobicContact CD2-CD2 4.05Å; A453-L457 VanDerWaalsContact O-CG 3.32Å; A453-L457 WeakPolarHBondContact O-CG 2.93Å; A453-L457 PolarHBondContact O-N 3.42Å; V454-L457 PolarHBondContact O-N 3.31Å; V454-L457 VanDerWaalsContact O-N 3.13Å; L457-V459 VanDerWaalsContact C-N 3.35Å; L457-V459 PolarHBondContact O-N 2.94Å; L457-F460 HydrophobicContact CD2-CD2 4.39Å; L457-F460 CarbonylContact O-C 3.59Å; L457-F460 WeakPolarHBondContact O-CA 3.2Å; L457-F460 WeakPolarHBondContact O-CB 3.36Å; L457-F460 PolarHBondContact O-N 3.36Å; L457-F460 VanDerWaalsContact O-N 3.15Å; L457-A461 PolarHBondContact O-N 3.44Å; L457-F477 HydrophobicContact CD2-CE1 4.4Å; L457-F477 HydrophobicContact CD2-CE2 4.36Å; L457-F477 HydrophobicContact CD2-CZ 3.65Å; L457-L508 HydrophobicContact CD1-CD1 3.93Å; L457-L508 HydrophobicContact CD1-CG 4Å; L457-I512 HydrophobicContact CD1-CG1 3.95Å; L457-I512 HydrophobicContact CD2-CG1 4.49Å; L457-V515 HydrophobicContact CB-CG2 4.28Å; L457-V515 HydrophobicContact CD2-CG2 4.4Å; L457-V515 WeakPolarHBondContact O-CG2 3.4Å
458D88.1Confident85.5Confident20 Ų2020.7 Ų20.711%0.10714%0.138CC..Hα-helixtrans-64.8-36.4175.1-76.8-33.9000112.8R415 V454 I456 A461 A462 N514R415-D458 HydrophobicContact CG-CB 4.43Å; R415-D458 IonicContact CZ-OD1 2.67Å; R415-D458 IonicContact CZ-OD2 3.48Å; R415-D458 VanDerWaalsContact NH1-CB 3.34Å; R415-D458 IonicContact NH1-OD1 2.9Å; R415-D458 PolarHBondContact NH1-OD1 2.91Å; R415-D458 IonicContact NH1-OD2 3.9Å; R415-D458 PolarHBondContact NH1-OD2 3.35Å; R415-D458 IonicContact NH2-OD1 3.09Å; V454-D458 WeakPolarHBondContact O-CB 3.09Å; V454-D458 PolarHBondContact O-N 3.49Å; I456-D458 VanDerWaalsContact C-N 3.27Å; I456-D458 PolarHBondContact O-N 3.29Å; D458-A461 PolarHBondContact O-N 3.39Å; D458-A462 PolarHBondContact O-N 2.94Å; D458-N514 PolarHBondContact OD1-ND2 3.43Å
459V89.8Confident86Confident0 Ų021.2 Ų21.20%014%0.138CC..Hα-helixtrans-65.7-40.2171.1172.30000110.7L411 I414 R415 L440 A455 I456 L457 A461 A462 F463L411-V459 HydrophobicContact CB-CG2 4.17Å; L411-V459 HydrophobicContact CD2-CG2 4.37Å; L411-V459 WeakPolarHBondContact O-CG2 3.49Å; I414-V459 HydrophobicContact CB-CG2 4.35Å; I414-V459 HydrophobicContact CG2-CG1 3.85Å; I414-V459 HydrophobicContact CG2-CG2 4.2Å; R415-V459 HydrophobicContact CB-CG2 4.08Å; L440-V459 HydrophobicContact CD1-CB 4.42Å; L440-V459 HydrophobicContact CD1-CG1 3.88Å; A455-V459 WeakPolarHBondContact O-CG2 3.24Å; A455-V459 PolarHBondContact O-N 3.05Å; I456-V459 WeakPolarHBondContact O-CB 3.4Å; I456-V459 PolarHBondContact O-N 3.17Å; I456-V459 VanDerWaalsContact O-N 3.16Å; L457-V459 VanDerWaalsContact C-N 3.35Å; L457-V459 PolarHBondContact O-N 2.94Å; V459-A461 VanDerWaalsContact C-N 3.32Å; V459-A461 PolarHBondContact O-N 3.22Å; V459-A462 WeakPolarHBondContact O-CB 3.43Å; V459-A462 PolarHBondContact O-N 3.41Å; V459-F463 HydrophobicContact CG1-CD2 4.2Å; V459-F463 HydrophobicContact CG1-CE2 3.57Å; V459-F463 HydrophobicContact CG1-CZ 3.76Å; V459-F463 PolarHBondContact O-N 3.34Å
460F90.8Very high86.3Confident1 Ų118.8 Ų18.80%0.00412%0.122CC..Hα-helixtrans-64.6-35173.4-66.5-20.6000112.7L440 L441 L444 I456 L457 A462 F463 A464 M473 F477 V515L440-F460 HydrophobicContact CB-CE1 3.89Å; L440-F460 HydrophobicContact CB-CZ 3.8Å; L440-F460 HydrophobicContact CD1-CE1 4.1Å; L441-F460 HydrophobicContact CB-CZ 4.42Å; L444-F460 HydrophobicContact CD2-CE2 4.09Å; I456-F460 HydrophobicContact CG2-CD2 4.23Å; I456-F460 HydrophobicContact CG2-CE2 3.77Å; I456-F460 HydrophobicContact CG2-CZ 3.94Å; I456-F460 PolarHBondContact O-N 2.7Å; L457-F460 HydrophobicContact CD2-CD2 4.39Å; L457-F460 CarbonylContact O-C 3.59Å; L457-F460 WeakPolarHBondContact O-CA 3.2Å; L457-F460 WeakPolarHBondContact O-CB 3.36Å; L457-F460 PolarHBondContact O-N 3.36Å; L457-F460 VanDerWaalsContact O-N 3.15Å; F460-A462 VanDerWaalsContact C-N 3.34Å; F460-F463 HydrophobicContact CD1-CD2 4.06Å; F460-F463 HydrophobicContact CD1-CE2 4.41Å; F460-F463 PolarHBondContact O-N 3.42Å; F460-A464 WeakPolarHBondContact O-CB 3.39Å; F460-A464 PolarHBondContact O-N 2.94Å; F460-M473 HydrophobicContact CB-SD 4.18Å; F460-M473 HydrophobicContact CD1-SD 3.92Å; F460-M473 HydrophobicContact CE1-SD 4.49Å; F460-M473 HydrophobicContact CG-SD 4.07Å; F460-F477 AromaticContact CD2-CE1 3.88Å; F460-F477 HydrophobicContact CD2-CE1 3.88Å; F460-F477 HydrophobicContact CD2-CZ 4.32Å; F460-F477 HydrophobicContact CE2-CE1 4.44Å; F460-V515 HydrophobicContact CB-CG2 4.08Å
461A89.2Confident86.6Confident5 Ų516.8 Ų16.84%0.04111%0.107CC..Hα-helixtrans-64.8-40.8174.100000110.8L457 D458 V459 F463 A464 K465 N514 V515 E518L457-A461 PolarHBondContact O-N 3.44Å; D458-A461 PolarHBondContact O-N 3.39Å; V459-A461 VanDerWaalsContact C-N 3.32Å; V459-A461 PolarHBondContact O-N 3.22Å; A461-F463 VanDerWaalsContact C-N 3.33Å; A461-F463 PolarHBondContact O-N 3.04Å; A461-A464 PolarHBondContact O-N 3.36Å; A461-K465 PolarHBondContact O-N 3.35Å; A461-N514 HydrophobicContact CB-CB 4.27Å; A461-V515 HydrophobicContact CB-CB 4.48Å; A461-V515 HydrophobicContact CB-CG2 3.87Å; A461-E518 HydrophobicContact CB-CG 4.4Å
462A88.9Confident86.8Confident0 Ų017 Ų170%010%0.102CC..Hα-helixtrans-61.4-39.6173.500000112.1R415 C418 D419 R425 D458 V459 F460 K465R415-A462 HydrophobicContact CG-CB 4.35Å; C418-A462 HydrophobicContact CB-CB 3.82Å; D419-A462 WeakPolarHBondContact OD1-CA 3.24Å; D419-A462 WeakPolarHBondContact OD1-CB 3.45Å; R425-A462 WeakPolarHBondContact CD-O 3.26Å; R425-A462 PolarHBondContact NE-O 3.21Å; R425-A462 VanDerWaalsContact NE-O 3.09Å; D458-A462 PolarHBondContact O-N 2.94Å; V459-A462 WeakPolarHBondContact O-CB 3.43Å; V459-A462 PolarHBondContact O-N 3.41Å; F460-A462 VanDerWaalsContact C-N 3.34Å; A462-K465 WeakPolarHBondContact O-CB 3.13Å
463F90Very high86.8Confident0 Ų017 Ų170%010%0.102CC..Hα-helixtrans-66.5-40.3173.2-64.9-35.8000113R425 I428 F429 V459 F460 A461 K465 T466 Y469R425-F463 HydrophobicContact CG-CD1 3.75Å; R425-F463 HydrophobicContact CG-CE1 4.36Å; I428-F463 HydrophobicContact CB-CE1 4.46Å; I428-F463 HydrophobicContact CG2-CE1 4.06Å; I428-F463 HydrophobicContact CG2-CZ 3.85Å; F429-F463 HydrophobicContact CB-CD1 4.41Å; F429-F463 HydrophobicContact CB-CE1 4.39Å; F429-F463 HydrophobicContact CD2-CB 4.16Å; F429-F463 HydrophobicContact CD2-CD1 4.06Å; F429-F463 AromaticContact CD2-CD2 3.94Å; F429-F463 HydrophobicContact CD2-CD2 3.94Å; F429-F463 HydrophobicContact CD2-CE1 4.47Å; F429-F463 HydrophobicContact CD2-CE2 4.35Å; F429-F463 AromaticContact CD2-CG 3.81Å; F429-F463 HydrophobicContact CD2-CG 3.81Å; F429-F463 HydrophobicContact CE2-CB 4.41Å; F429-F463 HydrophobicContact CE2-CD2 4.36Å; F429-F463 HydrophobicContact CE2-CG 4.4Å; V459-F463 HydrophobicContact CG1-CD2 4.2Å; V459-F463 HydrophobicContact CG1-CE2 3.57Å; V459-F463 HydrophobicContact CG1-CZ 3.76Å; V459-F463 PolarHBondContact O-N 3.34Å; F460-F463 HydrophobicContact CD1-CD2 4.06Å; F460-F463 HydrophobicContact CD1-CE2 4.41Å; F460-F463 PolarHBondContact O-N 3.42Å; A461-F463 VanDerWaalsContact C-N 3.33Å; A461-F463 PolarHBondContact O-N 3.04Å; F463-K465 PolarHBondContact O-N 2.93Å; F463-K465 VanDerWaalsContact O-N 3.09Å; F463-T466 PolarHBondContact O-N 2.92Å; F463-Y469 WeakPolarHBondContact O-CB 3.31Å
464A87.4Confident86.7Confident0 Ų017.3 Ų17.30%010%0.104CC..Hα-helixtrans-64.5-11.9-178.900000114.1F460 A461 T466 A470 E518 H522F460-A464 WeakPolarHBondContact O-CB 3.39Å; F460-A464 PolarHBondContact O-N 2.94Å; A461-A464 PolarHBondContact O-N 3.36Å; A464-T466 PolarHBondContact O-N 3.47Å; A464-A470 HydrophobicContact CB-CB 4.38Å; A464-A470 WeakPolarHBondContact O-CB 3.46Å; A464-E518 HydrophobicContact CB-CB 4.04Å; A464-H522 PolarHBondContact O-CD2 2.91Å; A464-H522 PolarHBondContact O-NE2 3.15Å
465K86.8Confident86.6Confident62 Ų6221.2 Ų21.227%0.2712%0.119SC..THydrogen-bonded Turntrans-62-18.9171.6-65.8-170.1175.6169.20113.6D419 A461 A462 F463 E518 H522D419-K465 VanDerWaalsContact CG-NZ 3.27Å; D419-K465 VanDerWaalsContact OD1-CE 3.28Å; D419-K465 WeakPolarHBondContact OD1-CE 3.34Å; D419-K465 IonicContact OD1-NZ 3.76Å; D419-K465 PolarHBondContact OD1-NZ 3.38Å; D419-K465 IonicContact OD2-NZ 2.75Å; A461-K465 PolarHBondContact O-N 3.35Å; A462-K465 WeakPolarHBondContact O-CB 3.13Å; F463-K465 PolarHBondContact O-N 2.93Å; F463-K465 VanDerWaalsContact O-N 3.09Å; K465-E518 HydrophobicContact CG-CG 4.23Å; K465-E518 WeakPolarHBondContact CG-OE2 3.38Å; K465-H522 PolarHBondContact O-CE1 3.06Å; K465-H522 PolarHBondContact O-NE2 3.47Å
466T86.7Confident86.1Confident26 Ų2622.9 Ų22.916%0.1613%0.127CC..SBendtrans-99.8131.3172.8-55.40000110R425 F463 A464 S468 Y469 A470R425-T466 PolarHBondContact NH1-OG1 2.9Å; R425-T466 VanDerWaalsContact NH1-OG1 3.17Å; F463-T466 PolarHBondContact O-N 2.92Å; A464-T466 PolarHBondContact O-N 3.47Å; T466-S468 PolarHBondContact O-N 3.31Å; T466-Y469 HydrophobicContact CG2-CD2 3.89Å; T466-Y469 HydrophobicContact CG2-CE2 4.06Å; T466-Y469 HydrophobicContact CG2-CG 4.32Å; T466-Y469 PolarHBondContact O-N 3.02Å; T466-Y469 VanDerWaalsContact O-N 3.11Å; T466-A470 PolarHBondContact O-N 3.48Å
467S82.4Confident85.6Confident49 Ų4923.3 Ų23.334%0.34313%0.128SC..Hα-helixtrans-56.1-49.2-17058.20000114.7Y469 A470 V471S467-Y469 VanDerWaalsContact C-N 3.26Å; S467-Y469 PolarHBondContact O-N 3.26Å; S467-A470 WeakPolarHBondContact O-CB 3.39Å; S467-A470 PolarHBondContact O-N 3.27Å; S467-V471 PolarHBondContact O-N 2.94Å
468S84.4Confident85Confident60 Ų6025.2 Ų25.242%0.4214%0.142SC..Hα-helixtrans-62.2-34.1179.460.10000112.7T466 S472T466-S468 PolarHBondContact O-N 3.31Å; S468-S472 PolarHBondContact O-N 2.93Å; S468-S472 PolarHBondContact O-OG 2.99Å
469Y86.3Confident84.4Confident31 Ų3128.7 Ų28.712%0.12216%0.164CC..Hα-helixtrans-78.1-34.4177.8-57-20.7000111.4E426 F429 F463 T466 S467 V471 S472 M473E426-Y469 HydrophobicContact CG-CE2 4.04Å; F429-Y469 HydrophobicContact CB-CD2 4.4Å; F429-Y469 HydrophobicContact CB-CE2 4.02Å; F429-Y469 AromaticContact CD1-CD1 3.48Å; F429-Y469 HydrophobicContact CD1-CD1 3.48Å; F429-Y469 VanDerWaalsContact CD1-CD1 3.48Å; F429-Y469 HydrophobicContact CD1-CD2 4.22Å; F429-Y469 AromaticContact CD1-CE1 3.25Å; F429-Y469 HydrophobicContact CD1-CE1 3.25Å; F429-Y469 HydrophobicContact CD1-CE2 4.05Å; F429-Y469 AromaticContact CD1-CG 3.98Å; F429-Y469 HydrophobicContact CD1-CG 3.98Å; F429-Y469 AromaticContact CD1-CZ 3.58Å; F429-Y469 HydrophobicContact CD2-CD1 4.49Å; F429-Y469 HydrophobicContact CD2-CD2 4.32Å; F429-Y469 HydrophobicContact CD2-CG 4.24Å; F429-Y469 AromaticContact CE1-CD1 3.28Å; F429-Y469 HydrophobicContact CE1-CD1 3.28Å; F429-Y469 AromaticContact CE1-CE1 3.46Å; F429-Y469 HydrophobicContact CE1-CE1 3.46Å; F429-Y469 VanDerWaalsContact CE1-CE1 3.46Å; F429-Y469 AromaticContact CE1-CG 3.95Å; F429-Y469 HydrophobicContact CE1-CG 3.95Å; F429-Y469 HydrophobicContact CE2-CD1 4.33Å; F429-Y469 HydrophobicContact CE2-CG 4.19Å; F429-Y469 HydrophobicContact CG-CD1 4.1Å; F429-Y469 HydrophobicContact CG-CD2 4.05Å; F429-Y469 HydrophobicContact CG-CE1 4.04Å; F429-Y469 HydrophobicContact CG-CE2 4.01Å; F429-Y469 HydrophobicContact CG-CG 4.12Å; F429-Y469 AromaticContact CG-CZ 4Å; F429-Y469 AromaticContact CZ-CD1 3.75Å; F429-Y469 HydrophobicContact CZ-CD1 3.75Å; F429-Y469 HydrophobicContact CZ-CE1 4.36Å; F429-Y469 HydrophobicContact CZ-CG 4.06Å; F463-Y469 WeakPolarHBondContact O-CB 3.31Å; T466-Y469 HydrophobicContact CG2-CD2 3.89Å; T466-Y469 HydrophobicContact CG2-CE2 4.06Å; T466-Y469 HydrophobicContact CG2-CG 4.32Å; T466-Y469 PolarHBondContact O-N 3.02Å; T466-Y469 VanDerWaalsContact O-N 3.11Å; S467-Y469 VanDerWaalsContact C-N 3.26Å; S467-Y469 PolarHBondContact O-N 3.26Å; Y469-V471 PolarHBondContact O-N 3.45Å; Y469-S472 CarbonylContact O-C 3.2Å; Y469-S472 WeakPolarHBondContact O-CB 3.45Å; Y469-S472 PolarHBondContact O-N 3.06Å; Y469-S472 VanDerWaalsContact O-N 3.16Å; Y469-M473 WeakPolarHBondContact O-CG 3.48Å; Y469-M473 PolarHBondContact O-N 3.42Å
470A85Confident83.6Confident0 Ų029.1 Ų29.10%017%0.166CC..Hα-helixtrans-56.2-51.5173.500000111.8A464 T466 S467 S472 M473 C474 A519 A525A464-A470 HydrophobicContact CB-CB 4.38Å; A464-A470 WeakPolarHBondContact O-CB 3.46Å; T466-A470 PolarHBondContact O-N 3.48Å; S467-A470 WeakPolarHBondContact O-CB 3.39Å; S467-A470 PolarHBondContact O-N 3.27Å; A470-S472 VanDerWaalsContact C-N 3.27Å; A470-S472 PolarHBondContact O-N 2.93Å; A470-M473 PolarHBondContact O-N 3.43Å; A470-M473 VanDerWaalsContact O-N 3.16Å; A470-C474 PolarHBondContact O-N 3.43Å; A470-C474 PolarHBondContact O-SG 3.4Å; A470-A519 HydrophobicContact CB-CB 4.3Å; A470-A525 HydrophobicContact CB-CB 4.06Å
471V84.5Confident82.6Confident21 Ų2134.5 Ų34.513%0.12720%0.2CC..Hα-helixtrans-60.7-39.4176.9178.40000110.9S467 Y469 C474 K475 E524 A525 F528S467-V471 PolarHBondContact O-N 2.94Å; Y469-V471 PolarHBondContact O-N 3.45Å; V471-C474 PolarHBondContact O-N 3.39Å; V471-K475 HydrophobicContact CG1-CD 4.31Å; V471-K475 WeakPolarHBondContact O-CB 3.45Å; V471-K475 VanDerWaalsContact O-CG 3.32Å; V471-K475 WeakPolarHBondContact O-CG 3.28Å; V471-K475 PolarHBondContact O-N 3.36Å; V471-E524 HydrophobicContact CG2-CB 3.87Å; V471-A525 HydrophobicContact CG2-CB 4.18Å; V471-F528 HydrophobicContact CG1-CD2 4.44Å; V471-F528 HydrophobicContact CG1-CG 4.43Å
472S84.6Confident81.7Confident44 Ų4437.4 Ų37.431%0.30821%0.211SC..Hα-helixtrans-65-41.2176.6-58.40000112S468 Y469 A470 K475 L476S468-S472 PolarHBondContact O-N 2.93Å; S468-S472 PolarHBondContact O-OG 2.99Å; Y469-S472 CarbonylContact O-C 3.2Å; Y469-S472 WeakPolarHBondContact O-CB 3.45Å; Y469-S472 PolarHBondContact O-N 3.06Å; Y469-S472 VanDerWaalsContact O-N 3.16Å; A470-S472 VanDerWaalsContact C-N 3.27Å; A470-S472 PolarHBondContact O-N 2.93Å; S472-K475 WeakPolarHBondContact O-CB 3.34Å; S472-K475 PolarHBondContact O-N 2.97Å; S472-L476 WeakPolarHBondContact O-CG 3.34Å; S472-L476 PolarHBondContact O-N 2.9Å
473M85.4Confident80.8Confident1 Ų137.7 Ų37.71%0.00521%0.213CC..Hα-helixtrans-65.3-43.1174.6-67.7-52.591.500111.5F429 T437 F460 Y469 A470 K475 L476 F477F429-M473 HydrophobicContact CE2-CE 3.47Å; F429-M473 VanDerWaalsContact CE2-CE 3.47Å; F429-M473 HydrophobicContact CZ-CE 3.8Å; T437-M473 HydrophobicContact CG2-CE 4.22Å; F460-M473 HydrophobicContact CB-SD 4.18Å; F460-M473 HydrophobicContact CD1-SD 3.92Å; F460-M473 HydrophobicContact CE1-SD 4.49Å; F460-M473 HydrophobicContact CG-SD 4.07Å; Y469-M473 WeakPolarHBondContact O-CG 3.48Å; Y469-M473 PolarHBondContact O-N 3.42Å; A470-M473 PolarHBondContact O-N 3.43Å; A470-M473 VanDerWaalsContact O-N 3.16Å; M473-K475 VanDerWaalsContact C-N 3.33Å; M473-K475 PolarHBondContact O-N 3.42Å; M473-L476 HydrophobicContact CE-CD1 3.44Å; M473-L476 VanDerWaalsContact CE-CD1 3.44Å; M473-L476 HydrophobicContact CE-CG 4.49Å; M473-L476 PolarHBondContact O-N 3.46Å; M473-L476 HydrophobicContact SD-CD1 4.23Å; M473-F477 VanDerWaalsContact O-CD1 3.25Å; M473-F477 WeakPolarHBondContact O-CD1 3.43Å; M473-F477 PolarHBondContact O-N 3.46Å
474C82.1Confident79.7Confident7 Ų740.1 Ų40.15%0.04723%0.225CC..Hα-helixtrans-61.4-40.3174.9-64.30000112A470 V471 F477 S478 F528 L529A470-C474 PolarHBondContact O-N 3.43Å; A470-C474 PolarHBondContact O-SG 3.4Å; V471-C474 PolarHBondContact O-N 3.39Å; C474-F477 PolarHBondContact O-N 2.9Å; C474-S478 PolarHBondContact O-N 3.31Å; C474-F528 HydrophobicContact CB-CD1 3.61Å; C474-F528 HydrophobicContact CB-CE1 3.78Å; C474-L529 HydrophobicContact CB-CD2 4.02Å; C474-L529 HydrophobicContact CB-CG 4.45Å
475K83.1Confident78.7Confident109 Ų10944 Ų4447%0.47425%0.252SS..Hα-helixtrans-60.9-46.5172.1-76170.3-179173.30111.4V471 S472 M473 F477 S478 T479 F528V471-K475 HydrophobicContact CG1-CD 4.31Å; V471-K475 WeakPolarHBondContact O-CB 3.45Å; V471-K475 VanDerWaalsContact O-CG 3.32Å; V471-K475 WeakPolarHBondContact O-CG 3.28Å; V471-K475 PolarHBondContact O-N 3.36Å; S472-K475 WeakPolarHBondContact O-CB 3.34Å; S472-K475 PolarHBondContact O-N 2.97Å; M473-K475 VanDerWaalsContact C-N 3.33Å; M473-K475 PolarHBondContact O-N 3.42Å; K475-F477 VanDerWaalsContact C-N 3.32Å; K475-F477 PolarHBondContact O-N 2.85Å; K475-S478 WeakPolarHBondContact O-CB 3.34Å; K475-S478 PolarHBondContact O-N 3.06Å; K475-S478 PolarHBondContact O-OG 3.04Å; K475-T479 PolarHBondContact O-N 3.23Å; K475-F528 HydrophobicContact CB-CZ 4.18Å; K475-F528 HydrophobicContact CD-CE2 4.37Å; K475-F528 HydrophobicContact CD-CZ 4.49Å; K475-F528 HydrophobicContact CG-CD2 4.46Å; K475-F528 HydrophobicContact CG-CE1 3.95Å; K475-F528 HydrophobicContact CG-CE2 3.58Å; K475-F528 HydrophobicContact CG-CZ 3.29Å
476L77.6Confident77.7Confident43 Ų4343.6 Ų43.623%0.22525%0.252CS..Hα-helixtrans-60.7-41.7176.5-71.3177.9000111.7L441 S472 M473 S478 T479 N480L441-L476 HydrophobicContact CD1-CB 3.94Å; L441-L476 HydrophobicContact CD1-CD1 4.36Å; L441-L476 HydrophobicContact CD1-CD2 4.38Å; L441-L476 HydrophobicContact CD1-CG 4.46Å; S472-L476 WeakPolarHBondContact O-CG 3.34Å; S472-L476 PolarHBondContact O-N 2.9Å; M473-L476 HydrophobicContact CE-CD1 3.44Å; M473-L476 VanDerWaalsContact CE-CD1 3.44Å; M473-L476 HydrophobicContact CE-CG 4.49Å; M473-L476 PolarHBondContact O-N 3.46Å; M473-L476 HydrophobicContact SD-CD1 4.23Å; L476-S478 VanDerWaalsContact C-N 3.26Å; L476-S478 PolarHBondContact O-N 3.31Å; L476-T479 PolarHBondContact O-N 3.5Å; L476-T479 PolarHBondContact O-OG1 2.71Å; L476-N480 PolarHBondContact O-N 2.86Å
477F77.8Confident76.6Confident9 Ų942.6 Ų42.64%0.03925%0.246CC..Hα-helixtrans-63-34.7177.7-80.428.3000111.6L457 F460 M473 C474 K475 T479 N480 I483 V515 M533L457-F477 HydrophobicContact CD2-CE1 4.4Å; L457-F477 HydrophobicContact CD2-CE2 4.36Å; L457-F477 HydrophobicContact CD2-CZ 3.65Å; F460-F477 AromaticContact CD2-CE1 3.88Å; F460-F477 HydrophobicContact CD2-CE1 3.88Å; F460-F477 HydrophobicContact CD2-CZ 4.32Å; F460-F477 HydrophobicContact CE2-CE1 4.44Å; M473-F477 VanDerWaalsContact O-CD1 3.25Å; M473-F477 WeakPolarHBondContact O-CD1 3.43Å; M473-F477 PolarHBondContact O-N 3.46Å; C474-F477 PolarHBondContact O-N 2.9Å; K475-F477 VanDerWaalsContact C-N 3.32Å; K475-F477 PolarHBondContact O-N 2.85Å; F477-T479 PolarHBondContact O-N 2.99Å; F477-N480 PolarHBondContact O-N 2.99Å; F477-I483 HydrophobicContact CB-CG2 4.5Å; F477-I483 HydrophobicContact CD1-CD1 3.82Å; F477-I483 HydrophobicContact CD2-CD1 4.35Å; F477-I483 HydrophobicContact CD2-CG2 4.11Å; F477-I483 HydrophobicContact CE1-CD1 3.94Å; F477-I483 HydrophobicContact CE2-CD1 4.45Å; F477-I483 HydrophobicContact CG-CD1 4.03Å; F477-I483 HydrophobicContact CG-CG2 4.36Å; F477-I483 HydrophobicContact CZ-CD1 4.24Å; F477-V515 HydrophobicContact CE1-CG1 4.45Å; F477-V515 HydrophobicContact CE2-CB 3.99Å; F477-V515 HydrophobicContact CE2-CG1 3.69Å; F477-V515 HydrophobicContact CE2-CG2 4.4Å; F477-V515 HydrophobicContact CZ-CB 4.02Å; F477-V515 HydrophobicContact CZ-CG1 3.62Å; F477-V515 HydrophobicContact CZ-CG2 4Å; F477-M533 HydrophobicContact CB-CE 4.01Å
478S73.5Confident75.4Confident41 Ų4141.6 Ų41.629%0.28724%0.244SC..Hα-helixtrans-67.8-13.9174.678.40000114.9C474 K475 L476 L484 M533C474-S478 PolarHBondContact O-N 3.31Å; K475-S478 WeakPolarHBondContact O-CB 3.34Å; K475-S478 PolarHBondContact O-N 3.06Å; K475-S478 PolarHBondContact O-OG 3.04Å; L476-S478 VanDerWaalsContact C-N 3.26Å; L476-S478 PolarHBondContact O-N 3.31Å; S478-L484 WeakPolarHBondContact O-CD1 3.42Å; S478-M533 WeakPolarHBondContact CA-SD 3.32Å; S478-M533 WeakPolarHBondContact CB-SD 3.4Å
479T75.6Confident73.6Confident94 Ų9443 Ų4358%0.57726%0.259SS*.Hα-helixtrans-101.7-19.2177.662.50000113.4K475 L476 F477 T481K475-T479 PolarHBondContact O-N 3.23Å; L476-T479 PolarHBondContact O-N 3.5Å; L476-T479 PolarHBondContact O-OG1 2.71Å; F477-T479 PolarHBondContact O-N 2.99Å; T479-T481 PolarHBondContact O-N 3.29Å
480N73.5Confident71.5Confident8 Ų848.2 Ų48.24%0.04328%0.279CS..  trans-84.9109-174.5-170.9-45.4000110.9L476 F477 K482 I483 L484L476-N480 PolarHBondContact O-N 2.86Å; F477-N480 PolarHBondContact O-N 2.99Å; N480-K482 VanDerWaalsContact C-N 3.28Å; N480-K482 PolarHBondContact O-N 3.48Å; N480-K482 WeakPolarHBondContact OD1-CB 3.32Å; N480-K482 PolarHBondContact OD1-N 2.83Å; N480-K482 VanDerWaalsContact OD1-N 3.07Å; N480-I483 HydrophobicContact CB-CB 4.22Å; N480-I483 HydrophobicContact CB-CD1 3.92Å; N480-I483 HydrophobicContact CB-CG1 4.05Å; N480-I483 PolarHBondContact O-N 3.34Å; N480-I483 PolarHBondContact OD1-N 3.23Å; N480-L484 WeakPolarHBondContact O-CG 3.43Å; N480-L484 PolarHBondContact O-N 3.28Å
481T70.2Confident69.4Low115 Ų11550.9 Ų50.971%0.70631%0.307SS*.Hα-helixtrans-59.6-34.3-176.953.10000113.6T479 S485T479-T481 PolarHBondContact O-N 3.29Å; T481-S485 WeakPolarHBondContact O-CB 3.4Å; T481-S485 PolarHBondContact O-N 3.27Å
482K70Confident67.1Low66 Ų6657.7 Ų57.729%0.28734%0.343SS..Hα-helixtrans-68.1-44.7178.5-167.1178.6-178.4-174.70110.9L444 C446 N480 S485 I486L444-K482 WeakPolarHBondContact O-CD 3.25Å; L444-K482 PolarHBondContact O-NZ 3.11Å; C446-K482 PolarHBondContact O-NZ 3Å; N480-K482 VanDerWaalsContact C-N 3.28Å; N480-K482 PolarHBondContact O-N 3.48Å; N480-K482 WeakPolarHBondContact OD1-CB 3.32Å; N480-K482 PolarHBondContact OD1-N 2.83Å; N480-K482 VanDerWaalsContact OD1-N 3.07Å; K482-S485 PolarHBondContact O-N 3.42Å; K482-S485 PolarHBondContact O-OG 3.24Å; K482-I486 WeakPolarHBondContact O-CG1 3.44Å; K482-I486 PolarHBondContact O-N 2.85Å
483I69Low65.1Low6 Ų660.3 Ų60.33%0.03136%0.357CS..Hα-helixtrans-66.5-45.1176.4-58.3177.8000110.2L444 F477 N480 S485 I486 L487L444-I483 HydrophobicContact CD2-CD1 3.86Å; L444-I483 HydrophobicContact CD2-CG1 4.46Å; F477-I483 HydrophobicContact CB-CG2 4.5Å; F477-I483 HydrophobicContact CD1-CD1 3.82Å; F477-I483 HydrophobicContact CD2-CD1 4.35Å; F477-I483 HydrophobicContact CD2-CG2 4.11Å; F477-I483 HydrophobicContact CE1-CD1 3.94Å; F477-I483 HydrophobicContact CE2-CD1 4.45Å; F477-I483 HydrophobicContact CG-CD1 4.03Å; F477-I483 HydrophobicContact CG-CG2 4.36Å; F477-I483 HydrophobicContact CZ-CD1 4.24Å; N480-I483 HydrophobicContact CB-CB 4.22Å; N480-I483 HydrophobicContact CB-CD1 3.92Å; N480-I483 HydrophobicContact CB-CG1 4.05Å; N480-I483 PolarHBondContact O-N 3.34Å; N480-I483 PolarHBondContact OD1-N 3.23Å; I483-S485 VanDerWaalsContact C-N 3.28Å; I483-S485 PolarHBondContact O-N 3.09Å; I483-I486 PolarHBondContact O-N 3.04Å; I483-L487 HydrophobicContact CG2-CD1 3.68Å; I483-L487 HydrophobicContact CG2-CG 4.02Å; I483-L487 WeakPolarHBondContact O-CG 3.42Å; I483-L487 PolarHBondContact O-N 3.04Å
484L67.2Low63.2Low51 Ų5167.8 Ų67.827%0.26740%0.396SS..Hα-helixtrans-59.6-36.9176.7-73.3174.8000113S478 N480 I486 L487 G488 M533S478-L484 WeakPolarHBondContact O-CD1 3.42Å; N480-L484 WeakPolarHBondContact O-CG 3.43Å; N480-L484 PolarHBondContact O-N 3.28Å; L484-I486 PolarHBondContact O-N 3.39Å; L484-L487 PolarHBondContact O-N 3.43Å; L484-G488 PolarHBondContact O-N 3.01Å; L484-G488 VanDerWaalsContact O-N 3.16Å; L484-M533 HydrophobicContact CD2-SD 3.8Å
485S66.7Low61.3Low80 Ų8072.1 Ų72.156%0.55942%0.424SS*.Hα-helixtrans-63.8-31.5176.175.30000112.6T481 K482 I483T481-S485 WeakPolarHBondContact O-CB 3.4Å; T481-S485 PolarHBondContact O-N 3.27Å; K482-S485 PolarHBondContact O-N 3.42Å; K482-S485 PolarHBondContact O-OG 3.24Å; I483-S485 VanDerWaalsContact C-N 3.28Å; I483-S485 PolarHBondContact O-N 3.09Å
486I66Low59.6Low54 Ų5468.9 Ų68.928%0.27742%0.418SS..Hα-helixtrans-84.6-36.4179.4-63.1172.8000111.1K482 I483 L484 G488 L508 I512 F539K482-I486 WeakPolarHBondContact O-CG1 3.44Å; K482-I486 PolarHBondContact O-N 2.85Å; I483-I486 PolarHBondContact O-N 3.04Å; L484-I486 PolarHBondContact O-N 3.39Å; I486-G488 PolarHBondContact O-N 3.31Å; I486-L508 HydrophobicContact CD1-CD2 3.13Å; I486-I512 HydrophobicContact CB-CD1 4.48Å; I486-I512 HydrophobicContact CG2-CD1 3.9Å; I486-F539 HydrophobicContact CG2-CE2 3.97Å; I486-F539 HydrophobicContact CG2-CZ 4.31Å; I486-F539 VanDerWaalsContact O-CD2 3.29Å; I486-F539 WeakPolarHBondContact O-CD2 3.24Å; I486-F539 WeakPolarHBondContact O-CE2 3.28Å
487L63.9Low58.1Low5 Ų569.8 Ų69.83%0.02642%0.421CS..Hα-helixtrans-69.4-10.5174.1-68.9175.1000113.4I483 L484 I512 M533 V536 F539I483-L487 HydrophobicContact CG2-CD1 3.68Å; I483-L487 HydrophobicContact CG2-CG 4.02Å; I483-L487 WeakPolarHBondContact O-CG 3.42Å; I483-L487 PolarHBondContact O-N 3.04Å; L484-L487 PolarHBondContact O-N 3.43Å; L487-I512 HydrophobicContact CD2-CG2 3.99Å; L487-M533 HydrophobicContact CD1-CE 4.33Å; L487-V536 HydrophobicContact CD1-CG2 3.93Å; L487-V536 HydrophobicContact CD2-CG2 4.3Å; L487-F539 HydrophobicContact CD2-CB 4Å; L487-F539 HydrophobicContact CD2-CD1 3.65Å; L487-F539 HydrophobicContact CD2-CD2 4.37Å; L487-F539 HydrophobicContact CD2-CE1 4.16Å; L487-F539 HydrophobicContact CD2-CG 3.75Å
488G56.8Low56.6Low28 Ų2876.2 Ų76.229%0.28945%0.452SS..  trans7993.7178.400000112.5L484 I486 Y490 S535L484-G488 PolarHBondContact O-N 3.01Å; L484-G488 VanDerWaalsContact O-N 3.16Å; I486-G488 PolarHBondContact O-N 3.31Å; G488-Y490 VanDerWaalsContact C-N 3.29Å; G488-Y490 PolarHBondContact O-N 3.45Å; G488-S535 WeakPolarHBondContact O-CB 3.31Å
489A47.8Very low55.5Low90 Ų9077.1 Ų77.174%0.74446%0.458SS*.  trans-67.592.1163.400000109G491A489-G491 PolarHBondContact O-N 2.88Å; A489-G491 VanDerWaalsContact O-N 3.08Å
490Y41Very low54.4Low140 Ų14077 Ų7755%0.54945%0.451SS..  trans-57.8109.3171.2-103.3-95.6000109.4G488 L538 Q542G488-Y490 VanDerWaalsContact C-N 3.29Å; G488-Y490 PolarHBondContact O-N 3.45Å; Y490-L538 HydrophobicContact CD1-CD1 4.32Å; Y490-L538 HydrophobicContact CD2-CB 4.34Å; Y490-L538 HydrophobicContact CD2-CD1 3.35Å; Y490-L538 HydrophobicContact CD2-CG 4.44Å; Y490-L538 HydrophobicContact CE1-CD1 4.34Å; Y490-L538 HydrophobicContact CE2-CB 3.78Å; Y490-L538 HydrophobicContact CE2-CD1 3.35Å; Y490-L538 HydrophobicContact CE2-CG 4.09Å; Y490-L538 HydrophobicContact CG-CD1 3.85Å; Y490-Q542 PolarHBondContact OH-OE1 3.45Å
491G40.7Very low53.4Low57 Ų5779.2 Ų79.259%0.58846%0.462SS*.SBendtrans-150.9-52.7178.200000111.9A489A489-G491 PolarHBondContact O-N 2.88Å; A489-G491 VanDerWaalsContact O-N 3.08Å
492N37.2Very low52.5Low163 Ų16381.9 Ų81.987%0.87247%0.467SS*.SBendtrans-162.120.5-168.3-88.5-37.5000118.5
493V41.2Very low52Low100 Ų10085.9 Ų85.961%0.60648%0.48SS*.  trans-13868.8-172-151.40000115.3P495 A496V493-P495 VanDerWaalsContact C-N 3.29Å; V493-A496 HydrophobicContact CB-CB 4.07Å; V493-A496 HydrophobicContact CG1-CB 3.4Å; V493-A496 PolarHBondContact O-N 2.99Å
494L45.7Very low51.8Low157 Ų15791.4 Ų91.482%0.82250%0.504SS*.Hα-helixtrans-52.6-35.7161.9-95.6143000114A496L494-A496 VanDerWaalsContact C-N 3.35Å; L494-A496 PolarHBondContact O-N 2.95Å
495P43.7Very low51.8Low98 Ų9889.8 Ų89.864%0.63650%0.496SS*.Hα-helixtrans-72.3-19.9-179.6-19.331.8000115.3V493V493-P495 VanDerWaalsContact C-N 3.29Å
496A46.4Very low51.9Low41 Ų4191 Ų9134%0.33950%0.496SS..Hα-helixtrans-84-21.4-178.600000112.6V493 L494 S499 Q500V493-A496 HydrophobicContact CB-CB 4.07Å; V493-A496 HydrophobicContact CG1-CB 3.4Å; V493-A496 PolarHBondContact O-N 2.99Å; L494-A496 VanDerWaalsContact C-N 3.35Å; L494-A496 PolarHBondContact O-N 2.95Å; A496-S499 PolarHBondContact O-N 3.06Å; A496-Q500 WeakPolarHBondContact O-CG 3.33Å; A496-Q500 PolarHBondContact O-N 3.25Å; A496-Q500 VanDerWaalsContact O-N 3.15Å
497M45.4Very low52.3Low62 Ų6291.3 Ų91.331%0.30550%0.502SS..Hα-helixtrans-64.8-40.2176.7-93.3-170.5142.700111.8S499 Q500 L501M497-S499 PolarHBondContact O-N 2.96Å; M497-Q500 PolarHBondContact O-N 3.4Å; M497-Q500 VanDerWaalsContact O-N 3.12Å; M497-L501 WeakPolarHBondContact O-CD1 3.49Å; M497-L501 WeakPolarHBondContact O-CG 3.22Å; M497-L501 PolarHBondContact O-N 2.86Å
498E47.7Very low53Low145 Ų14592.2 Ų92.268%0.67851%0.507SS*.Hα-helixtrans-61.7-44.9177.8-67.6-179.9165.800111.5Q500 L501E498-Q500 PolarHBondContact O-N 3.17Å; E498-L501 PolarHBondContact O-N 3.41Å
499S49.5Very low54.1Low59 Ų5991.1 Ų91.141%0.41349%0.494SS..Hα-helixtrans-65.1-23.7175.1147.50000114A496 M497A496-S499 PolarHBondContact O-N 3.06Å; M497-S499 PolarHBondContact O-N 2.96Å
500Q52.3Low55.7Low92 Ų9288.3 Ų88.343%0.4347%0.465SS..Hα-helixtrans-90.6-23.1176.8-72.9-152.41.300112.9A496 M497 E498 E502 R503 R547A496-Q500 WeakPolarHBondContact O-CG 3.33Å; A496-Q500 PolarHBondContact O-N 3.25Å; A496-Q500 VanDerWaalsContact O-N 3.15Å; M497-Q500 PolarHBondContact O-N 3.4Å; M497-Q500 VanDerWaalsContact O-N 3.12Å; E498-Q500 PolarHBondContact O-N 3.17Å; Q500-E502 VanDerWaalsContact C-N 3.31Å; Q500-R503 PolarHBondContact O-N 3.49Å; Q500-R547 PolarHBondContact O-NH2 2.75Å
501L52.5Low57.6Low55 Ų5581.7 Ų81.729%0.28844%0.439SS..Hα-helixtrans-68-30.5175.7-84.3151.5000112.2M497 E498 R503 R546 R547M497-L501 WeakPolarHBondContact O-CD1 3.49Å; M497-L501 WeakPolarHBondContact O-CG 3.22Å; M497-L501 PolarHBondContact O-N 2.86Å; E498-L501 PolarHBondContact O-N 3.41Å; L501-R503 VanDerWaalsContact C-N 3.29Å; L501-R503 PolarHBondContact O-N 3.23Å; L501-R546 HydrophobicContact CD2-CB 4.36Å; L501-R547 HydrophobicContact CD2-CG 4.11Å
502E52.4Low59.7Low171 Ų17179 Ų7980%0.79941%0.411SS*.THydrogen-bonded Turntrans-75.8-11.1177.3-67.2-178.7166.300114.4Q500Q500-E502 VanDerWaalsContact C-N 3.31Å
503R59.3Low62Low149 Ų14971.2 Ų71.256%0.56237%0.37SS*.SBendtrans-85.5135.4179.7-65.3-176.1-172.91692.6110.3Q500 L501Q500-R503 PolarHBondContact O-N 3.49Å; L501-R503 VanDerWaalsContact C-N 3.29Å; L501-R503 PolarHBondContact O-N 3.23Å
504K63.8Low64.1Low123 Ų12368.2 Ų68.254%0.53535%0.351SS..  trans-51.1143.5170.6-65.4-168.3-177.2-171.20110.4D506 E554K504-D506 PolarHBondContact O-N 2.82Å; K504-D506 VanDerWaalsContact O-N 3.13Å; K504-E554 HydrophobicContact CD-CG 3.8Å; K504-E554 VanDerWaalsContact CD-OE1 3.31Å; K504-E554 WeakPolarHBondContact CD-OE1 3.35Å; K504-E554 IonicContact NZ-OE1 3.79Å; K504-E554 PolarHBondContact NZ-OE1 3.33Å
505V67.4Low66Low16 Ų1660.9 Ų60.910%0.09731%0.312CS..  trans-62.4115.5-178.9179.90000110.1T509 F510 F553V505-T509 HydrophobicContact CG1-CG2 3.92Å; V505-F510 HydrophobicContact CG1-CD2 4.4Å; V505-F510 HydrophobicContact CG1-CE2 3.79Å; V505-F510 HydrophobicContact CG1-CZ 4.29Å; V505-F553 HydrophobicContact CB-CD1 4.35Å; V505-F553 HydrophobicContact CB-CE1 3.99Å; V505-F553 HydrophobicContact CG1-CE1 4.28Å; V505-F553 HydrophobicContact CG2-CD1 4.23Å; V505-F553 HydrophobicContact CG2-CE1 3.7Å; V505-F553 HydrophobicContact CG2-CE2 4.32Å; V505-F553 HydrophobicContact CG2-CZ 3.76Å
506D69.8Low68Low106 Ų10656.6 Ų56.657%0.56728%0.284SS*.  trans-64.6139.1177-72.6-36.9000110.5K504 L508 T509K504-D506 PolarHBondContact O-N 2.82Å; K504-D506 VanDerWaalsContact O-N 3.13Å; D506-L508 PolarHBondContact O-N 2.95Å; D506-T509 WeakPolarHBondContact O-CB 3.39Å; D506-T509 PolarHBondContact O-N 2.91Å; D506-T509 PolarHBondContact O-OG1 3.4Å
507P74.9Confident69.9Low60 Ų6054.9 Ų54.939%0.3927%0.269SS..Hα-helixtrans-50.9-30.6176.3-29.734.9000113.8V454 T509 F510V454-P507 VanDerWaalsContact CG2-C 3.42Å; V454-P507 HydrophobicContact CG2-CB 3.93Å; V454-P507 WeakPolarHBondContact CG2-O 3.46Å; P507-T509 PolarHBondContact O-N 3.3Å; P507-F510 WeakPolarHBondContact O-CB 3.41Å; P507-F510 PolarHBondContact O-N 3.17Å; P507-F510 VanDerWaalsContact O-N 3.16Å
508L78.5Confident71.9Confident25 Ų2553.2 Ų53.213%0.13126%0.26CS..Hα-helixtrans-58.3-32.9176.7-16394.5000112.9A453 L457 I486 D506 F510 G511 I512A453-L508 HydrophobicContact CB-CD1 3.33Å; L457-L508 HydrophobicContact CD1-CD1 3.93Å; L457-L508 HydrophobicContact CD1-CG 4Å; I486-L508 HydrophobicContact CD1-CD2 3.13Å; D506-L508 PolarHBondContact O-N 2.95Å; L508-F510 VanDerWaalsContact C-N 3.29Å; L508-F510 PolarHBondContact O-N 2.83Å; L508-G511 PolarHBondContact O-N 2.79Å; L508-I512 HydrophobicContact CD2-CD1 3.95Å; L508-I512 HydrophobicContact CG-CD1 4.35Å; L508-I512 WeakPolarHBondContact O-CG1 3.21Å; L508-I512 PolarHBondContact O-N 3.35Å
509T79.6Confident73.8Confident5 Ų546.3 Ų46.33%0.03123%0.228CC..Hα-helixtrans-57.5-43.8177.4-50.80000110.7V505 D506 P507 G511 I512 L513 F539 N544V505-T509 HydrophobicContact CG1-CG2 3.92Å; D506-T509 WeakPolarHBondContact O-CB 3.39Å; D506-T509 PolarHBondContact O-N 2.91Å; D506-T509 PolarHBondContact O-OG1 3.4Å; P507-T509 PolarHBondContact O-N 3.3Å; T509-G511 PolarHBondContact O-N 3.47Å; T509-I512 PolarHBondContact O-N 2.97Å; T509-L513 HydrophobicContact CG2-CD1 4.09Å; T509-L513 HydrophobicContact CG2-CG 4.45Å; T509-L513 WeakPolarHBondContact O-CG 3.19Å; T509-L513 PolarHBondContact O-N 3.47Å; T509-F539 HydrophobicContact CG2-CE1 4.49Å; T509-F539 HydrophobicContact CG2-CZ 3.88Å; T509-N544 WeakPolarHBondContact CG2-OD1 3.43Å
510F81.2Confident75.5Confident31 Ų3143.5 Ų43.514%0.13621%0.209CC..Hα-helixtrans-62.8-43.1177.7-65-88.6000112V505 P507 L508 I512 L513 N514 F553 D558 C562V505-F510 HydrophobicContact CG1-CD2 4.4Å; V505-F510 HydrophobicContact CG1-CE2 3.79Å; V505-F510 HydrophobicContact CG1-CZ 4.29Å; P507-F510 WeakPolarHBondContact O-CB 3.41Å; P507-F510 PolarHBondContact O-N 3.17Å; P507-F510 VanDerWaalsContact O-N 3.16Å; L508-F510 VanDerWaalsContact C-N 3.29Å; L508-F510 PolarHBondContact O-N 2.83Å; F510-I512 VanDerWaalsContact C-N 3.33Å; F510-I512 PolarHBondContact O-N 3.05Å; F510-L513 PolarHBondContact O-N 2.96Å; F510-N514 WeakPolarHBondContact O-CB 3.38Å; F510-N514 PolarHBondContact O-N 3.3Å; F510-F553 HydrophobicContact CZ-CD1 4.27Å; F510-F553 AromaticContact CZ-CE1 3.91Å; F510-F553 HydrophobicContact CZ-CE1 3.91Å; F510-D558 HydrophobicContact CE1-CB 4.49Å; F510-D558 VanDerWaalsContact CE1-O 3.23Å; F510-D558 WeakPolarHBondContact CE1-O 3.28Å; F510-D558 HydrophobicContact CZ-CB 3.9Å; F510-D558 WeakPolarHBondContact CZ-O 3.46Å; F510-C562 HydrophobicContact CD1-CB 4.32Å; F510-C562 HydrophobicContact CE1-CB 3.57Å; F510-C562 HydrophobicContact CZ-CB 4.11Å
511G80.3Confident77Confident0 Ų043.7 Ų43.70%021%0.205CC..Hα-helixtrans-59.6-43175.100000112.2L508 T509 N514 V515L508-G511 PolarHBondContact O-N 2.79Å; T509-G511 PolarHBondContact O-N 3.47Å; G511-N514 PolarHBondContact O-N 3.32Å; G511-V515 WeakPolarHBondContact O-CG2 3.03Å; G511-V515 PolarHBondContact O-N 3.07Å
512I84.2Confident78.5Confident0 Ų043 Ų430%020%0.201CC..Hα-helixtrans-66.6-45.7178.2-66170.8000110.7L457 I486 L487 L508 T509 F510 N514 V515 I516 F539L457-I512 HydrophobicContact CD1-CG1 3.95Å; L457-I512 HydrophobicContact CD2-CG1 4.49Å; I486-I512 HydrophobicContact CB-CD1 4.48Å; I486-I512 HydrophobicContact CG2-CD1 3.9Å; L487-I512 HydrophobicContact CD2-CG2 3.99Å; L508-I512 HydrophobicContact CD2-CD1 3.95Å; L508-I512 HydrophobicContact CG-CD1 4.35Å; L508-I512 WeakPolarHBondContact O-CG1 3.21Å; L508-I512 PolarHBondContact O-N 3.35Å; T509-I512 PolarHBondContact O-N 2.97Å; F510-I512 VanDerWaalsContact C-N 3.33Å; F510-I512 PolarHBondContact O-N 3.05Å; I512-N514 VanDerWaalsContact C-N 3.34Å; I512-N514 PolarHBondContact O-N 3.05Å; I512-V515 PolarHBondContact O-N 2.86Å; I512-I516 HydrophobicContact CG2-CD1 3.67Å; I512-I516 HydrophobicContact CG2-CG1 4.44Å; I512-I516 WeakPolarHBondContact O-CG1 3.4Å; I512-I516 PolarHBondContact O-N 3.28Å; I512-F539 HydrophobicContact CG2-CE1 3.9Å; I512-F539 HydrophobicContact CG2-CZ 4.49Å
513L85.4Confident79.7Confident0 Ų038 Ų380%018%0.177CC..Hα-helixtrans-62.5-39.2178.2-70.2174.7000112T509 F510 V515 I516 N517 F539 V540 L565 V566 I569T509-L513 HydrophobicContact CG2-CD1 4.09Å; T509-L513 HydrophobicContact CG2-CG 4.45Å; T509-L513 WeakPolarHBondContact O-CG 3.19Å; T509-L513 PolarHBondContact O-N 3.47Å; F510-L513 PolarHBondContact O-N 2.96Å; L513-V515 PolarHBondContact O-N 2.86Å; L513-I516 PolarHBondContact O-N 3.12Å; L513-N517 WeakPolarHBondContact O-CB 3.3Å; L513-N517 PolarHBondContact O-N 2.71Å; L513-F539 HydrophobicContact CD2-CE1 4.19Å; L513-V540 HydrophobicContact CD2-CG2 3.95Å; L513-L565 HydrophobicContact CB-CB 4.43Å; L513-L565 HydrophobicContact CB-CD1 4.27Å; L513-V566 HydrophobicContact CD1-CG2 4.01Å; L513-V566 HydrophobicContact CD2-CG2 4.28Å; L513-I569 HydrophobicContact CD2-CD1 4.06Å
514N85.4Confident80.6Confident38 Ų3836.9 Ų36.920%0.20318%0.178CC..Hα-helixtrans-60.3-44.7175.2-80.5-17.7000112.1D458 A461 F510 G511 I512 N517 E518 L565D458-N514 PolarHBondContact OD1-ND2 3.43Å; A461-N514 HydrophobicContact CB-CB 4.27Å; F510-N514 WeakPolarHBondContact O-CB 3.38Å; F510-N514 PolarHBondContact O-N 3.3Å; G511-N514 PolarHBondContact O-N 3.32Å; I512-N514 VanDerWaalsContact C-N 3.34Å; I512-N514 PolarHBondContact O-N 3.05Å; N514-N517 PolarHBondContact O-N 3.2Å; N514-E518 PolarHBondContact O-N 3.36Å; N514-E518 VanDerWaalsContact O-N 3.12Å; N514-L565 WeakPolarHBondContact OD1-CD1 3.43Å; N514-L565 WeakPolarHBondContact OD1-CD2 3.06Å
515V86.1Confident81.4Confident3 Ų331 Ų312%0.01815%0.153CC..Hα-helixtrans-64.6-43.4177.6179.30000111L457 F460 A461 F477 G511 I512 L513 E518 A519L457-V515 HydrophobicContact CB-CG2 4.28Å; L457-V515 HydrophobicContact CD2-CG2 4.4Å; L457-V515 WeakPolarHBondContact O-CG2 3.4Å; F460-V515 HydrophobicContact CB-CG2 4.08Å; A461-V515 HydrophobicContact CB-CB 4.48Å; A461-V515 HydrophobicContact CB-CG2 3.87Å; F477-V515 HydrophobicContact CE1-CG1 4.45Å; F477-V515 HydrophobicContact CE2-CB 3.99Å; F477-V515 HydrophobicContact CE2-CG1 3.69Å; F477-V515 HydrophobicContact CE2-CG2 4.4Å; F477-V515 HydrophobicContact CZ-CB 4.02Å; F477-V515 HydrophobicContact CZ-CG1 3.62Å; F477-V515 HydrophobicContact CZ-CG2 4Å; G511-V515 WeakPolarHBondContact O-CG2 3.03Å; G511-V515 PolarHBondContact O-N 3.07Å; I512-V515 PolarHBondContact O-N 2.86Å; L513-V515 PolarHBondContact O-N 2.86Å; V515-E518 PolarHBondContact O-N 3.44Å; V515-A519 WeakPolarHBondContact O-CB 3.26Å; V515-A519 PolarHBondContact O-N 3.27Å
516I85.5Confident81.9Confident7 Ų730.3 Ų30.34%0.03615%0.148CC..Hα-helixtrans-63.7-42.5177.5-65.2162.5000110.6I512 L513 E518 A519 V520 V536 V540 I569I512-I516 HydrophobicContact CG2-CD1 3.67Å; I512-I516 HydrophobicContact CG2-CG1 4.44Å; I512-I516 WeakPolarHBondContact O-CG1 3.4Å; I512-I516 PolarHBondContact O-N 3.28Å; L513-I516 PolarHBondContact O-N 3.12Å; I516-E518 VanDerWaalsContact C-N 3.35Å; I516-E518 PolarHBondContact O-N 3.2Å; I516-A519 PolarHBondContact O-N 3.09Å; I516-V520 HydrophobicContact CG2-CG2 3.96Å; I516-V520 WeakPolarHBondContact O-CB 3.41Å; I516-V520 VanDerWaalsContact O-CG2 3.28Å; I516-V520 WeakPolarHBondContact O-CG2 3.22Å; I516-V520 PolarHBondContact O-N 3.35Å; I516-V536 HydrophobicContact CD1-CG1 3.7Å; I516-V536 HydrophobicContact CG1-CG1 4.08Å; I516-V536 HydrophobicContact CG2-CG1 4.21Å; I516-V540 HydrophobicContact CD1-CG2 4.2Å; I516-V540 HydrophobicContact CG2-CG2 4.45Å; I516-I569 HydrophobicContact CB-CD1 4.24Å; I516-I569 HydrophobicContact CG2-CD1 3.97Å; I516-I569 HydrophobicContact CG2-CG1 4.31Å; I516-I569 HydrophobicContact CG2-CG2 4.13Å
517N87.4Confident82.2Confident5 Ų527.9 Ų27.93%0.02713%0.132CC..Hα-helixtrans-59.9-43.8178.8-170.651.2000111.9L513 N514 L565 E568 I569L513-N517 WeakPolarHBondContact O-CB 3.3Å; L513-N517 PolarHBondContact O-N 2.71Å; N514-N517 PolarHBondContact O-N 3.2Å; N517-L565 HydrophobicContact CB-CD2 4.12Å; N517-E568 PolarHBondContact ND2-OE1 2.69Å; N517-E568 VanDerWaalsContact ND2-OE1 3.14Å; N517-E568 WeakPolarHBondContact OD1-CG 3.41Å; N517-I569 HydrophobicContact CB-CD1 4.16Å; N517-I569 HydrophobicContact CB-CG1 3.81Å
518E87.8Confident82.4Confident28 Ų2826.6 Ų26.613%0.13112%0.12CC..Hα-helixtrans-71.3-34175.8-67.5-61.8164.200112.6A461 A464 K465 N514 V515 I516 R521A461-E518 HydrophobicContact CB-CG 4.4Å; A464-E518 HydrophobicContact CB-CB 4.04Å; K465-E518 HydrophobicContact CG-CG 4.23Å; K465-E518 WeakPolarHBondContact CG-OE2 3.38Å; N514-E518 PolarHBondContact O-N 3.36Å; N514-E518 VanDerWaalsContact O-N 3.12Å; V515-E518 PolarHBondContact O-N 3.44Å; I516-E518 VanDerWaalsContact C-N 3.35Å; I516-E518 PolarHBondContact O-N 3.2Å; E518-R521 PolarHBondContact O-N 3.27Å; E518-R521 IonicContact OE1-CZ 2.72Å; E518-R521 IonicContact OE1-NH1 3.77Å; E518-R521 PolarHBondContact OE1-NH1 3.48Å; E518-R521 IonicContact OE1-NH2 2.66Å; E518-R521 WeakPolarHBondContact OE2-CD 3.34Å; E518-R521 IonicContact OE2-CZ 3.02Å; E518-R521 IonicContact OE2-NE 3.45Å; E518-R521 IonicContact OE2-NH1 2.63Å; E518-R521 PolarHBondContact OE2-NH1 3.29Å
519A86.7Confident82.4Confident0 Ų025.6 Ų25.60%012%0.115CC..Hα-helixtrans-68.1-44.2177.400000112.6A470 V515 I516 R521 H522 A525A470-A519 HydrophobicContact CB-CB 4.3Å; V515-A519 WeakPolarHBondContact O-CB 3.26Å; V515-A519 PolarHBondContact O-N 3.27Å; I516-A519 PolarHBondContact O-N 3.09Å; A519-R521 PolarHBondContact O-N 3.33Å; A519-R521 VanDerWaalsContact O-N 3.14Å; A519-H522 PolarHBondContact O-N 3.01Å; A519-A525 HydrophobicContact CB-CB 4.38Å; A519-A525 VanDerWaalsContact O-CB 3.31Å; A519-A525 WeakPolarHBondContact O-CB 3.21Å
520V85.1Confident82Confident0 Ų026.7 Ų26.70%012%0.12CC..Hα-helixtrans-63.9-17.7-179.3167.50000112.5I516 H522 I526 L529 I569 T572 T573 K576I516-V520 HydrophobicContact CG2-CG2 3.96Å; I516-V520 WeakPolarHBondContact O-CB 3.41Å; I516-V520 VanDerWaalsContact O-CG2 3.28Å; I516-V520 WeakPolarHBondContact O-CG2 3.22Å; I516-V520 PolarHBondContact O-N 3.35Å; V520-H522 PolarHBondContact O-N 3.18Å; V520-H522 VanDerWaalsContact O-N 3.11Å; V520-I526 HydrophobicContact CB-CG1 4.34Å; V520-I526 HydrophobicContact CG1-CD1 4.05Å; V520-I526 HydrophobicContact CG1-CG1 4.03Å; V520-I526 HydrophobicContact CG2-CG1 4.47Å; V520-I526 VanDerWaalsContact O-CD1 3.26Å; V520-I526 WeakPolarHBondContact O-CD1 3.5Å; V520-L529 HydrophobicContact CG2-CD1 4.28Å; V520-I569 HydrophobicContact CG2-CG2 4.33Å; V520-T572 WeakPolarHBondContact CG1-OG1 3.05Å; V520-T573 HydrophobicContact CB-CG2 4.37Å; V520-T573 HydrophobicContact CG1-CG2 3.38Å; V520-T573 HydrophobicContact CG2-CG2 3.99Å; V520-K576 WeakPolarHBondContact O-CD 3.34Å
521R84.2Confident81.5Confident95 Ų9531.7 Ų31.736%0.35814%0.144SC..THydrogen-bonded Turntrans-63.8-12.3170.8-69.2176.6178.5172.5-0.3113.4E518 A519 E568 K576E518-R521 PolarHBondContact O-N 3.27Å; E518-R521 IonicContact OE1-CZ 2.72Å; E518-R521 IonicContact OE1-NH1 3.77Å; E518-R521 PolarHBondContact OE1-NH1 3.48Å; E518-R521 IonicContact OE1-NH2 2.66Å; E518-R521 WeakPolarHBondContact OE2-CD 3.34Å; E518-R521 IonicContact OE2-CZ 3.02Å; E518-R521 IonicContact OE2-NE 3.45Å; E518-R521 IonicContact OE2-NH1 2.63Å; E518-R521 PolarHBondContact OE2-NH1 3.29Å; A519-R521 PolarHBondContact O-N 3.33Å; A519-R521 VanDerWaalsContact O-N 3.14Å; R521-E568 IonicContact CZ-OE1 2.82Å; R521-E568 IonicContact NE-OE1 3.81Å; R521-E568 IonicContact NH2-OE1 3.58Å; R521-E568 PolarHBondContact NH2-OE1 3.12Å; R521-K576 WeakPolarHBondContact O-CE 3.18Å; R521-K576 PolarHBondContact O-NZ 3.02Å
522H84.4Confident81.2Confident42 Ų4237.5 Ų37.519%0.19417%0.169CC..SBendtrans-114.3127.1177.3-57.1-72.2000110.8A464 K465 A519 V520 E524 A525 I526A464-H522 PolarHBondContact O-CD2 2.91Å; A464-H522 PolarHBondContact O-NE2 3.15Å; K465-H522 PolarHBondContact O-CE1 3.06Å; K465-H522 PolarHBondContact O-NE2 3.47Å; A519-H522 PolarHBondContact O-N 3.01Å; V520-H522 PolarHBondContact O-N 3.18Å; V520-H522 VanDerWaalsContact O-N 3.11Å; H522-E524 VanDerWaalsContact C-N 3.35Å; H522-E524 PolarHBondContact O-N 3.16Å; H522-A525 HydrophobicContact CB-CB 4.39Å; H522-A525 PolarHBondContact O-N 3.32Å; H522-A525 VanDerWaalsContact O-N 3.17Å; H522-I526 PolarHBondContact O-N 2.73Å
523E76.5Confident80.7Confident66 Ų6637.9 Ų37.931%0.30817%0.171SC..Hα-helixtrans-60.4-41.6-177-82150.4-139.400113A525 I526 Y527 K576E523-A525 PolarHBondContact O-N 3.46Å; E523-I526 WeakPolarHBondContact O-CB 3.43Å; E523-I526 PolarHBondContact O-N 2.68Å; E523-I526 VanDerWaalsContact O-N 3.07Å; E523-Y527 HydrophobicContact CB-CD2 4.46Å; E523-Y527 HydrophobicContact CB-CE2 4.13Å; E523-Y527 WeakPolarHBondContact O-CD2 3.33Å; E523-Y527 PolarHBondContact O-N 3.24Å; E523-K576 HydrophobicContact CG-CB 3.89Å; E523-K576 HydrophobicContact CG-CD 4.19Å; E523-K576 HydrophobicContact CG-CG 4.11Å; E523-K576 IonicContact OE1-NZ 3.55Å; E523-K576 PolarHBondContact OE1-NZ 3.23Å
524E78.2Confident79.9Confident124 Ų12441.5 Ų41.558%0.57919%0.194SC*.Hα-helixtrans-56.2-37.7177.5-60.6-175.9164.600112.4V471 H522 F528V471-E524 HydrophobicContact CG2-CB 3.87Å; H522-E524 VanDerWaalsContact C-N 3.35Å; H522-E524 PolarHBondContact O-N 3.16Å; E524-F528 WeakPolarHBondContact O-CB 3.33Å; E524-F528 PolarHBondContact O-N 2.85Å; E524-F528 VanDerWaalsContact O-N 3.15Å
525A81.5Confident79Confident0 Ų040.7 Ų40.70%019%0.192CC..Hα-helixtrans-74.7-36.2178.200000111.9A470 V471 A519 H522 E523 F528 L529A470-A525 HydrophobicContact CB-CB 4.06Å; V471-A525 HydrophobicContact CG2-CB 4.18Å; A519-A525 HydrophobicContact CB-CB 4.38Å; A519-A525 VanDerWaalsContact O-CB 3.31Å; A519-A525 WeakPolarHBondContact O-CB 3.21Å; H522-A525 HydrophobicContact CB-CB 4.39Å; H522-A525 PolarHBondContact O-N 3.32Å; H522-A525 VanDerWaalsContact O-N 3.17Å; E523-A525 PolarHBondContact O-N 3.46Å; A525-F528 PolarHBondContact O-N 3.14Å; A525-L529 WeakPolarHBondContact O-CB 3.19Å; A525-L529 VanDerWaalsContact O-CG 3.27Å; A525-L529 WeakPolarHBondContact O-CG 3.43Å; A525-L529 PolarHBondContact O-N 2.9Å
526I77.5Confident78.5Confident1 Ų140.6 Ų40.61%0.00519%0.191CC..Hα-helixtrans-59.3-52.1173.3-62.6172.7000110V520 H522 E523 F528 L529 M530 K576 V577V520-I526 HydrophobicContact CB-CG1 4.34Å; V520-I526 HydrophobicContact CG1-CD1 4.05Å; V520-I526 HydrophobicContact CG1-CG1 4.03Å; V520-I526 HydrophobicContact CG2-CG1 4.47Å; V520-I526 VanDerWaalsContact O-CD1 3.26Å; V520-I526 WeakPolarHBondContact O-CD1 3.5Å; H522-I526 PolarHBondContact O-N 2.73Å; E523-I526 WeakPolarHBondContact O-CB 3.43Å; E523-I526 PolarHBondContact O-N 2.68Å; E523-I526 VanDerWaalsContact O-N 3.07Å; I526-F528 VanDerWaalsContact C-N 3.29Å; I526-F528 PolarHBondContact O-N 3.3Å; I526-L529 PolarHBondContact O-N 3.49Å; I526-L529 VanDerWaalsContact O-N 3.14Å; I526-M530 HydrophobicContact CG2-CG 4.15Å; I526-M530 HydrophobicContact CG2-SD 3.73Å; I526-M530 WeakPolarHBondContact O-CG 3.49Å; I526-M530 PolarHBondContact O-N 3.04Å; I526-K576 HydrophobicContact CD1-CB 3.6Å; I526-K576 HydrophobicContact CD1-CD 3.79Å; I526-K576 HydrophobicContact CD1-CG 4.32Å; I526-V577 HydrophobicContact CG2-CG2 3.74Å
527Y74.9Confident77.8Confident55 Ų5541 Ų4122%0.21619%0.193CC..Hα-helixtrans-60.2-40.6-179.4-68.4-60.3000111.7E523 M530 E531 N586E523-Y527 HydrophobicContact CB-CD2 4.46Å; E523-Y527 HydrophobicContact CB-CE2 4.13Å; E523-Y527 WeakPolarHBondContact O-CD2 3.33Å; E523-Y527 PolarHBondContact O-N 3.24Å; Y527-M530 PolarHBondContact O-N 3.4Å; Y527-E531 WeakPolarHBondContact O-CB 3.37Å; Y527-E531 PolarHBondContact O-N 3.35Å; Y527-N586 HydrophobicContact CE1-CB 4.23Å; Y527-N586 WeakPolarHBondContact CE1-ND2 3.42Å
528F79.5Confident76.9Confident33 Ų3342.8 Ų42.815%0.14520%0.202CC..Hα-helixtrans-61.7-45.8174.3-179-90.5000112.6V471 C474 K475 E524 A525 I526 E531 K532V471-F528 HydrophobicContact CG1-CD2 4.44Å; V471-F528 HydrophobicContact CG1-CG 4.43Å; C474-F528 HydrophobicContact CB-CD1 3.61Å; C474-F528 HydrophobicContact CB-CE1 3.78Å; K475-F528 HydrophobicContact CB-CZ 4.18Å; K475-F528 HydrophobicContact CD-CE2 4.37Å; K475-F528 HydrophobicContact CD-CZ 4.49Å; K475-F528 HydrophobicContact CG-CD2 4.46Å; K475-F528 HydrophobicContact CG-CE1 3.95Å; K475-F528 HydrophobicContact CG-CE2 3.58Å; K475-F528 HydrophobicContact CG-CZ 3.29Å; E524-F528 WeakPolarHBondContact O-CB 3.33Å; E524-F528 PolarHBondContact O-N 2.85Å; E524-F528 VanDerWaalsContact O-N 3.15Å; A525-F528 PolarHBondContact O-N 3.14Å; I526-F528 VanDerWaalsContact C-N 3.29Å; I526-F528 PolarHBondContact O-N 3.3Å; F528-E531 PolarHBondContact O-N 3.06Å; F528-K532 HydrophobicContact CD2-CG 4.08Å; F528-K532 HydrophobicContact CE1-CB 4.32Å; F528-K532 HydrophobicContact CE2-CB 4.27Å; F528-K532 HydrophobicContact CE2-CG 3.74Å; F528-K532 HydrophobicContact CZ-CB 4.07Å; F528-K532 HydrophobicContact CZ-CG 4.04Å; F528-K532 WeakPolarHBondContact O-CB 3.45Å; F528-K532 PolarHBondContact O-N 3.45Å
529L78.2Confident76.2Confident4 Ų441.7 Ų41.72%0.02120%0.197CC..Hα-helixtrans-63.3-43.4177.9-73.2173.4000111.4C474 V520 A525 I526 M533 V536 F537C474-L529 HydrophobicContact CB-CD2 4.02Å; C474-L529 HydrophobicContact CB-CG 4.45Å; V520-L529 HydrophobicContact CG2-CD1 4.28Å; A525-L529 WeakPolarHBondContact O-CB 3.19Å; A525-L529 VanDerWaalsContact O-CG 3.27Å; A525-L529 WeakPolarHBondContact O-CG 3.43Å; A525-L529 PolarHBondContact O-N 2.9Å; I526-L529 PolarHBondContact O-N 3.49Å; I526-L529 VanDerWaalsContact O-N 3.14Å; L529-M533 HydrophobicContact CD2-CB 4.46Å; L529-M533 HydrophobicContact CD2-CE 4.23Å; L529-M533 CarbonylContact O-C 3.57Å; L529-M533 VanDerWaalsContact O-CA 3.3Å; L529-M533 WeakPolarHBondContact O-CA 3.4Å; L529-M533 PolarHBondContact O-N 2.98Å; L529-M533 VanDerWaalsContact O-O 3.1Å; L529-V536 HydrophobicContact CD2-CB 4.44Å; L529-V536 HydrophobicContact CD2-CG1 4.41Å; L529-V536 HydrophobicContact CD2-CG2 4.06Å; L529-F537 HydrophobicContact CB-CE2 4.04Å; L529-F537 HydrophobicContact CB-CZ 4.04Å
530M72.3Confident75.6Confident28 Ų2841.7 Ų41.714%0.13820%0.197CC..Hα-helixtrans-64.9-41178.3-68.4-179.985.700112.1I526 Y527 F537 V577 A589 F593I526-M530 HydrophobicContact CG2-CG 4.15Å; I526-M530 HydrophobicContact CG2-SD 3.73Å; I526-M530 WeakPolarHBondContact O-CG 3.49Å; I526-M530 PolarHBondContact O-N 3.04Å; Y527-M530 PolarHBondContact O-N 3.4Å; M530-F537 HydrophobicContact CB-CE2 4.28Å; M530-F537 HydrophobicContact CG-CD2 4.34Å; M530-F537 HydrophobicContact CG-CE2 3.43Å; M530-F537 VanDerWaalsContact CG-CE2 3.43Å; M530-F537 HydrophobicContact CG-CZ 3.96Å; M530-V577 HydrophobicContact SD-CG2 4.22Å; M530-A589 VanDerWaalsContact CE-C 3.46Å; M530-A589 HydrophobicContact CE-CB 3.68Å; M530-A589 WeakPolarHBondContact CE-O 3.41Å; M530-F593 HydrophobicContact CE-CB 4.29Å
531E70.6Confident74.9Confident137 Ų13742.5 Ų42.564%0.6420%0.2SC*.Hα-helixtrans-78.4-42.4-176.9-164.4-161.5144.300112.9Y527 F528Y527-E531 WeakPolarHBondContact O-CB 3.37Å; Y527-E531 PolarHBondContact O-N 3.35Å; F528-E531 PolarHBondContact O-N 3.06Å
532K74Confident74Confident121 Ų12139.8 Ų39.853%0.52619%0.192SC..Hα-helixtrans-104.2-26.7-170.4-59.5-53.3-169.8-1560114.3F528F528-K532 HydrophobicContact CD2-CG 4.08Å; F528-K532 HydrophobicContact CE1-CB 4.32Å; F528-K532 HydrophobicContact CE2-CB 4.27Å; F528-K532 HydrophobicContact CE2-CG 3.74Å; F528-K532 HydrophobicContact CZ-CB 4.07Å; F528-K532 HydrophobicContact CZ-CG 4.04Å; F528-K532 WeakPolarHBondContact O-CB 3.45Å; F528-K532 PolarHBondContact O-N 3.45Å
533M73Confident73.2Confident8 Ų838.8 Ų38.84%0.03919%0.188CC..  trans-138.760.4-175.2-69.1-135.2-66.900113.2F477 S478 L484 L487 L529 S535 V536F477-M533 HydrophobicContact CB-CE 4.01Å; S478-M533 WeakPolarHBondContact CA-SD 3.32Å; S478-M533 WeakPolarHBondContact CB-SD 3.4Å; L484-M533 HydrophobicContact CD2-SD 3.8Å; L487-M533 HydrophobicContact CD1-CE 4.33Å; L529-M533 HydrophobicContact CD2-CB 4.46Å; L529-M533 HydrophobicContact CD2-CE 4.23Å; L529-M533 CarbonylContact O-C 3.57Å; L529-M533 VanDerWaalsContact O-CA 3.3Å; L529-M533 WeakPolarHBondContact O-CA 3.4Å; L529-M533 PolarHBondContact O-N 2.98Å; L529-M533 VanDerWaalsContact O-O 3.1Å; M533-S535 PolarHBondContact O-N 3.44Å; M533-V536 HydrophobicContact CB-CG2 3.97Å; M533-V536 HydrophobicContact CE-CG2 3.81Å; M533-V536 WeakPolarHBondContact O-CB 3.47Å; M533-V536 PolarHBondContact O-N 3.46Å
534P68.5Low73.1Confident76 Ų7635.7 Ų35.749%0.49417%0.174SC..THydrogen-bonded Turntrans-59.9-22.3178.224.6-33.9000112.9V536 F537 L538P534-V536 PolarHBondContact O-N 2.92Å; P534-F537 PolarHBondContact O-N 3.41Å; P534-F537 VanDerWaalsContact O-N 3.15Å; P534-L538 PolarHBondContact O-N 3.26Å
535S67.4Low72.8Confident21 Ų2130.1 Ų30.115%0.14715%0.148CC..Hα-helixtrans-57-27173.153.10000113.7G488 M533 F537 L538 F539G488-S535 WeakPolarHBondContact O-CB 3.31Å; M533-S535 PolarHBondContact O-N 3.44Å; S535-F537 VanDerWaalsContact C-N 3.31Å; S535-F537 PolarHBondContact O-N 3.3Å; S535-L538 PolarHBondContact O-N 3.25Å; S535-F539 PolarHBondContact O-N 2.9Å
536V75.2Confident72.2Confident2 Ų234 Ų341%0.01216%0.163CC..Hα-helixtrans-60.7-41.7176.61720000111.3L487 I516 L529 M533 P534 F539 V540L487-V536 HydrophobicContact CD1-CG2 3.93Å; L487-V536 HydrophobicContact CD2-CG2 4.3Å; I516-V536 HydrophobicContact CD1-CG1 3.7Å; I516-V536 HydrophobicContact CG1-CG1 4.08Å; I516-V536 HydrophobicContact CG2-CG1 4.21Å; L529-V536 HydrophobicContact CD2-CB 4.44Å; L529-V536 HydrophobicContact CD2-CG1 4.41Å; L529-V536 HydrophobicContact CD2-CG2 4.06Å; M533-V536 HydrophobicContact CB-CG2 3.97Å; M533-V536 HydrophobicContact CE-CG2 3.81Å; M533-V536 WeakPolarHBondContact O-CB 3.47Å; M533-V536 PolarHBondContact O-N 3.46Å; P534-V536 PolarHBondContact O-N 2.92Å; V536-F539 WeakPolarHBondContact O-CB 3.23Å; V536-F539 PolarHBondContact O-N 2.97Å; V536-V540 VanDerWaalsContact O-CG2 3.31Å; V536-V540 WeakPolarHBondContact O-CG2 3.37Å; V536-V540 PolarHBondContact O-N 3.24Å
537F71.7Confident71.9Confident16 Ų1634.9 Ų34.97%0.0717%0.166CC..Hα-helixtrans-72.6-31178-62.2-60.5000112.1L529 M530 P534 S535 V540 F541 T573 F593L529-F537 HydrophobicContact CB-CE2 4.04Å; L529-F537 HydrophobicContact CB-CZ 4.04Å; M530-F537 HydrophobicContact CB-CE2 4.28Å; M530-F537 HydrophobicContact CG-CD2 4.34Å; M530-F537 HydrophobicContact CG-CE2 3.43Å; M530-F537 VanDerWaalsContact CG-CE2 3.43Å; M530-F537 HydrophobicContact CG-CZ 3.96Å; P534-F537 PolarHBondContact O-N 3.41Å; P534-F537 VanDerWaalsContact O-N 3.15Å; S535-F537 VanDerWaalsContact C-N 3.31Å; S535-F537 PolarHBondContact O-N 3.3Å; F537-V540 PolarHBondContact O-N 3.42Å; F537-F541 HydrophobicContact CB-CD2 4.02Å; F537-F541 HydrophobicContact CB-CE2 3.89Å; F537-F541 AromaticContact CD1-CE2 3.72Å; F537-F541 HydrophobicContact CD1-CE2 3.72Å; F537-F541 HydrophobicContact CD1-CZ 4.29Å; F537-F541 HydrophobicContact CG-CE2 4.22Å; F537-F541 WeakPolarHBondContact O-CB 3.33Å; F537-F541 WeakPolarHBondContact O-CD2 3.36Å; F537-F541 WeakPolarHBondContact O-CG 3.5Å; F537-F541 PolarHBondContact O-N 3.48Å; F537-T573 HydrophobicContact CE1-CG2 3.63Å; F537-T573 HydrophobicContact CZ-CG2 4.23Å; F537-F593 HydrophobicContact CB-CE2 4.44Å; F537-F593 HydrophobicContact CD1-CD2 4.3Å; F537-F593 AromaticContact CD1-CE2 3.66Å; F537-F593 HydrophobicContact CD1-CE2 3.66Å; F537-F593 HydrophobicContact CE1-CE2 4.05Å; F537-F593 HydrophobicContact CG-CD2 4.17Å; F537-F593 AromaticContact CG-CE2 3.98Å; F537-F593 HydrophobicContact CG-CE2 3.98Å
538L68.6Low71.8Confident42 Ų4232.3 Ų32.322%0.2216%0.156CC..Hα-helixtrans-66.6-40.8171.6-56.7172.3000111Y490 P534 S535 Q542 T543Y490-L538 HydrophobicContact CD1-CD1 4.32Å; Y490-L538 HydrophobicContact CD2-CB 4.34Å; Y490-L538 HydrophobicContact CD2-CD1 3.35Å; Y490-L538 HydrophobicContact CD2-CG 4.44Å; Y490-L538 HydrophobicContact CE1-CD1 4.34Å; Y490-L538 HydrophobicContact CE2-CB 3.78Å; Y490-L538 HydrophobicContact CE2-CD1 3.35Å; Y490-L538 HydrophobicContact CE2-CG 4.09Å; Y490-L538 HydrophobicContact CG-CD1 3.85Å; P534-L538 PolarHBondContact O-N 3.26Å; S535-L538 PolarHBondContact O-N 3.25Å; L538-Q542 HydrophobicContact CD2-CG 4.31Å; L538-Q542 VanDerWaalsContact CD2-OE1 3.26Å; L538-Q542 WeakPolarHBondContact O-CA 3.26Å; L538-Q542 VanDerWaalsContact O-CB 3.25Å; L538-Q542 WeakPolarHBondContact O-CB 3.15Å; L538-Q542 PolarHBondContact O-N 2.95Å; L538-T543 PolarHBondContact O-N 3.07Å
539F72.2Confident71.3Confident5 Ų536.4 Ų36.42%0.02217%0.171CC..Iπ-helixtrans-61.7-46.3173.6175.5-101.6000112.3I486 L487 T509 I512 L513 S535 V536 T543 N544I486-F539 HydrophobicContact CG2-CE2 3.97Å; I486-F539 HydrophobicContact CG2-CZ 4.31Å; I486-F539 VanDerWaalsContact O-CD2 3.29Å; I486-F539 WeakPolarHBondContact O-CD2 3.24Å; I486-F539 WeakPolarHBondContact O-CE2 3.28Å; L487-F539 HydrophobicContact CD2-CB 4Å; L487-F539 HydrophobicContact CD2-CD1 3.65Å; L487-F539 HydrophobicContact CD2-CD2 4.37Å; L487-F539 HydrophobicContact CD2-CE1 4.16Å; L487-F539 HydrophobicContact CD2-CG 3.75Å; T509-F539 HydrophobicContact CG2-CE1 4.49Å; T509-F539 HydrophobicContact CG2-CZ 3.88Å; I512-F539 HydrophobicContact CG2-CE1 3.9Å; I512-F539 HydrophobicContact CG2-CZ 4.49Å; L513-F539 HydrophobicContact CD2-CE1 4.19Å; S535-F539 PolarHBondContact O-N 2.9Å; V536-F539 WeakPolarHBondContact O-CB 3.23Å; V536-F539 PolarHBondContact O-N 2.97Å; F539-T543 VanDerWaalsContact O-CB 3.3Å; F539-T543 WeakPolarHBondContact O-CB 3.1Å; F539-N544 VanDerWaalsContact CE1-ND2 3.31Å; F539-N544 WeakPolarHBondContact CE1-ND2 3.03Å; F539-N544 VanDerWaalsContact CZ-ND2 3.29Å; F539-N544 WeakPolarHBondContact CZ-ND2 3.27Å; F539-N544 PolarHBondContact O-N 3.41Å; F539-N544 VanDerWaalsContact O-N 3.12Å; F539-N544 PolarHBondContact O-ND2 2.69Å
540V74.2Confident70.5Confident0 Ų040.8 Ų40.80%019%0.194CC..Iπ-helixtrans-66.2-51.1179.2177.80000110.9L513 I516 V536 F537 L545 V566 I569L513-V540 HydrophobicContact CD2-CG2 3.95Å; I516-V540 HydrophobicContact CD1-CG2 4.2Å; I516-V540 HydrophobicContact CG2-CG2 4.45Å; V536-V540 VanDerWaalsContact O-CG2 3.31Å; V536-V540 WeakPolarHBondContact O-CG2 3.37Å; V536-V540 PolarHBondContact O-N 3.24Å; F537-V540 PolarHBondContact O-N 3.42Å; V540-L545 PolarHBondContact O-N 3.13Å; V540-V566 HydrophobicContact CG1-CG1 4.01Å; V540-V566 HydrophobicContact CG1-CG2 4.47Å; V540-I569 HydrophobicContact CG1-CB 4.37Å; V540-I569 HydrophobicContact CG1-CD1 4.38Å; V540-I569 HydrophobicContact CG1-CG2 4.04Å; V540-I569 HydrophobicContact CG2-CD1 4.45Å
541F71.1Confident70.4Confident16 Ų1647.6 Ų47.67%0.0723%0.225CC..Iπ-helixtrans-95.1-33.4-169-53.4-49.9000115.5F537 L545 I569 L570 F593 T597F537-F541 HydrophobicContact CB-CD2 4.02Å; F537-F541 HydrophobicContact CB-CE2 3.89Å; F537-F541 AromaticContact CD1-CE2 3.72Å; F537-F541 HydrophobicContact CD1-CE2 3.72Å; F537-F541 HydrophobicContact CD1-CZ 4.29Å; F537-F541 HydrophobicContact CG-CE2 4.22Å; F537-F541 WeakPolarHBondContact O-CB 3.33Å; F537-F541 WeakPolarHBondContact O-CD2 3.36Å; F537-F541 WeakPolarHBondContact O-CG 3.5Å; F537-F541 PolarHBondContact O-N 3.48Å; F541-L545 WeakPolarHBondContact O-CB 2.99Å; F541-I569 HydrophobicContact CZ-CG2 4.5Å; F541-L570 HydrophobicContact CD1-CD1 4.21Å; F541-L570 HydrophobicContact CE1-CB 3.64Å; F541-L570 HydrophobicContact CE1-CD1 3.58Å; F541-L570 HydrophobicContact CE1-CD2 4.41Å; F541-L570 HydrophobicContact CE1-CG 4.04Å; F541-L570 HydrophobicContact CE2-CD1 4.32Å; F541-L570 HydrophobicContact CZ-CB 4.17Å; F541-L570 HydrophobicContact CZ-CD1 3.62Å; F541-L570 HydrophobicContact CZ-CG 4.45Å; F541-F593 HydrophobicContact CD2-CE2 4.31Å; F541-F593 HydrophobicContact CD2-CZ 4.49Å; F541-F593 HydrophobicContact CE2-CD2 4.25Å; F541-F593 AromaticContact CE2-CE2 3.31Å; F541-F593 HydrophobicContact CE2-CE2 3.31Å; F541-F593 AromaticContact CE2-CZ 3.45Å; F541-F593 HydrophobicContact CE2-CZ 3.45Å; F541-F593 VanDerWaalsContact CE2-CZ 3.45Å; F541-F593 AromaticContact CZ-CE2 3.89Å; F541-F593 HydrophobicContact CZ-CE2 3.89Å; F541-F593 AromaticContact CZ-CZ 3.64Å; F541-F593 HydrophobicContact CZ-CZ 3.64Å; F541-T597 HydrophobicContact CD2-CG2 3.72Å; F541-T597 HydrophobicContact CE2-CG2 4.05Å; F541-T597 HydrophobicContact CG-CG2 4.01Å
542Q64.5Low70.5Confident39 Ų3942.6 Ų42.618%0.18220%0.203CC..Iπ-helixtrans-91.3-34.4179.1-63.1-179.8-34.200112.1Y490 L538 R546Y490-Q542 PolarHBondContact OH-OE1 3.45Å; L538-Q542 HydrophobicContact CD2-CG 4.31Å; L538-Q542 VanDerWaalsContact CD2-OE1 3.26Å; L538-Q542 WeakPolarHBondContact O-CA 3.26Å; L538-Q542 VanDerWaalsContact O-CB 3.25Å; L538-Q542 WeakPolarHBondContact O-CB 3.15Å; L538-Q542 PolarHBondContact O-N 2.95Å; Q542-R546 VanDerWaalsContact O-CD 3.32Å; Q542-R546 WeakPolarHBondContact O-CD 3.28Å; Q542-R546 VanDerWaalsContact O-CG 3.27Å; Q542-R546 WeakPolarHBondContact O-CG 2.85Å
543T67.3Low70.3Confident20 Ų2037.9 Ų37.912%0.12318%0.182CC..Iπ-helixtrans-88.9-55.6-177-45.80000111.4L538 F539 R547L538-T543 PolarHBondContact O-N 3.07Å; F539-T543 VanDerWaalsContact O-CB 3.3Å; F539-T543 WeakPolarHBondContact O-CB 3.1Å; T543-R547 WeakPolarHBondContact O-CD 3.47Å; T543-R547 VanDerWaalsContact O-CG 3.32Å; T543-R547 WeakPolarHBondContact O-CG 3.11Å
544N74.1Confident70.2Confident1 Ų144.7 Ų44.71%0.00521%0.214CC..Iπ-helixtrans-85.2-34.9-171.4-70-67.6000114.1T509 F539 R546 R547 I548 V566T509-N544 WeakPolarHBondContact CG2-OD1 3.43Å; F539-N544 VanDerWaalsContact CE1-ND2 3.31Å; F539-N544 WeakPolarHBondContact CE1-ND2 3.03Å; F539-N544 VanDerWaalsContact CZ-ND2 3.29Å; F539-N544 WeakPolarHBondContact CZ-ND2 3.27Å; F539-N544 PolarHBondContact O-N 3.41Å; F539-N544 VanDerWaalsContact O-N 3.12Å; F539-N544 PolarHBondContact O-ND2 2.69Å; N544-R546 PolarHBondContact O-N 3.4Å; N544-R547 WeakPolarHBondContact O-CB 3.39Å; N544-R547 PolarHBondContact O-N 3.29Å; N544-R547 VanDerWaalsContact O-N 3.13Å; N544-I548 WeakPolarHBondContact O-CG1 3.44Å; N544-V566 HydrophobicContact CB-CG2 4.05Å
545L72.8Confident70.2Confident7 Ų743.5 Ų43.54%0.03721%0.207CC..Hα-helixtrans-57.3-48.4175.5-167.176.3000111.4V540 F541 R547 I548 V566 M567 L603 I606V540-L545 PolarHBondContact O-N 3.13Å; F541-L545 WeakPolarHBondContact O-CB 2.99Å; L545-R547 PolarHBondContact O-N 3.33Å; L545-I548 HydrophobicContact CD1-CD1 4.16Å; L545-I548 WeakPolarHBondContact O-CB 3.43Å; L545-I548 WeakPolarHBondContact O-CG1 3.06Å; L545-I548 PolarHBondContact O-N 3.45Å; L545-I548 VanDerWaalsContact O-N 3.1Å; L545-V566 HydrophobicContact CB-CG1 4.37Å; L545-V566 HydrophobicContact CD1-CG1 3.79Å; L545-M567 HydrophobicContact CD1-CE 3.71Å; L545-M567 HydrophobicContact CD1-SD 4.32Å; L545-L603 HydrophobicContact CD2-CB 3.88Å; L545-L603 HydrophobicContact CD2-CD1 3.7Å; L545-L603 HydrophobicContact CD2-CG 3.99Å; L545-I606 HydrophobicContact CD2-CD1 4.44Å; L545-I606 HydrophobicContact CG-CD1 3.97Å; L545-I606 WeakPolarHBondContact O-CD1 3.49Å
546R68.2Low70.5Confident83 Ų8346.5 Ų46.531%0.31322%0.221SC..Hα-helixtrans-62.5-24.2179.5-60.5-166.8179-168.3-0.2113.2L501 Q542 N544 E600 E602L501-R546 HydrophobicContact CD2-CB 4.36Å; Q542-R546 VanDerWaalsContact O-CD 3.32Å; Q542-R546 WeakPolarHBondContact O-CD 3.28Å; Q542-R546 VanDerWaalsContact O-CG 3.27Å; Q542-R546 WeakPolarHBondContact O-CG 2.85Å; N544-R546 PolarHBondContact O-N 3.4Å; R546-E600 IonicContact CZ-OE2 3.87Å; R546-E600 IonicContact NE-OE2 3.02Å; R546-E600 IonicContact NH2-OE1 3.55Å; R546-E600 IonicContact NH2-OE2 3.78Å; R546-E600 PolarHBondContact NH2-OE2 2.9Å; R546-E602 WeakPolarHBondContact CD-OE2 3.42Å; R546-E602 WeakPolarHBondContact CG-OE2 3.18Å; R546-E602 IonicContact CZ-OE2 2.73Å; R546-E602 IonicContact NE-OE2 2.99Å; R546-E602 PolarHBondContact NE-OE2 3.09Å
547R72.2Confident70.3Confident19 Ų1952.3 Ų52.37%0.07225%0.248CC..Hα-helixtrans-78.4-15.3177.9-74.5173.3172.2170.1-2.3113.8Q500 L501 T543 N544 L545 R549 N552 F553Q500-R547 PolarHBondContact O-NH2 2.75Å; L501-R547 HydrophobicContact CD2-CG 4.11Å; T543-R547 WeakPolarHBondContact O-CD 3.47Å; T543-R547 VanDerWaalsContact O-CG 3.32Å; T543-R547 WeakPolarHBondContact O-CG 3.11Å; N544-R547 WeakPolarHBondContact O-CB 3.39Å; N544-R547 PolarHBondContact O-N 3.29Å; N544-R547 VanDerWaalsContact O-N 3.13Å; L545-R547 PolarHBondContact O-N 3.33Å; R547-R549 PolarHBondContact O-N 2.94Å; R547-N552 WeakPolarHBondContact CA-ND2 3.45Å; R547-N552 WeakPolarHBondContact O-CB 3.01Å; R547-N552 PolarHBondContact O-ND2 3.48Å; R547-F553 VanDerWaalsContact O-CE2 3.31Å; R547-F553 WeakPolarHBondContact O-CE2 3.4Å
548I72.4Confident70.4Confident0 Ų054.7 Ų54.70%026%0.261CS..  trans-70.273.7-177.4-53.7167.5000111N544 L545 M559 V566 I606 L610N544-I548 WeakPolarHBondContact O-CG1 3.44Å; L545-I548 HydrophobicContact CD1-CD1 4.16Å; L545-I548 WeakPolarHBondContact O-CB 3.43Å; L545-I548 WeakPolarHBondContact O-CG1 3.06Å; L545-I548 PolarHBondContact O-N 3.45Å; L545-I548 VanDerWaalsContact O-N 3.1Å; I548-M559 HydrophobicContact CG2-CG 3.88Å; I548-M559 HydrophobicContact CG2-SD 4.06Å; I548-V566 HydrophobicContact CD1-CB 4.41Å; I548-V566 HydrophobicContact CD1-CG1 4.45Å; I548-I606 HydrophobicContact CB-CG2 4.13Å; I548-I606 HydrophobicContact CG2-CG2 4.36Å; I548-L610 HydrophobicContact CG2-CD1 4.05Å; I548-L610 HydrophobicContact CG2-CD2 4.12Å
549R68.4Low70.9Confident120 Ų12052.9 Ų52.945%0.45325%0.252SS..SBendtrans-144.6146.5172.4-65.4-173.3-179.7176.92.7107.9R547 E551 N552R547-R549 PolarHBondContact O-N 2.94Å; R549-E551 PolarHBondContact O-N 2.92Å; R549-N552 PolarHBondContact O-N 3.41Å; R549-N552 VanDerWaalsContact O-N 3.1Å
550L62.8Low71.1Confident96 Ų9653 Ų5350%0.50325%0.253SS..G310 helixtrans-50.4-32.5-178.4-81.2165.9000113.3N552 F553 L556 M559L550-N552 PolarHBondContact O-N 2.98Å; L550-F553 PolarHBondContact O-N 2.9Å; L550-L556 HydrophobicContact CD2-CD1 3.92Å; L550-M559 HydrophobicContact CB-CE 3.88Å; L550-M559 HydrophobicContact CD2-CE 3.37Å; L550-M559 HydrophobicContact CG-CE 3.47Å; L550-M559 VanDerWaalsContact CG-CE 3.47Å
551E70.3Confident71.2Confident170 Ų17055.3 Ų55.379%0.79427%0.267SS*.G310 helixtrans-65.2-22.3-176.3-62.9168.9-174.200114.2R549R549-E551 PolarHBondContact O-N 2.92Å
552N71.7Confident71.6Confident32 Ų3254.6 Ų54.617%0.17126%0.264CS..G310 helixtrans-100.1-4.3-173.6-62.4-35.7000114.5R547 R549 L550R547-N552 WeakPolarHBondContact CA-ND2 3.45Å; R547-N552 WeakPolarHBondContact O-CB 3.01Å; R547-N552 PolarHBondContact O-ND2 3.48Å; R549-N552 PolarHBondContact O-N 3.41Å; R549-N552 VanDerWaalsContact O-N 3.1Å; L550-N552 PolarHBondContact O-N 2.98Å
553F70.1Confident72.3Confident22 Ų2252.7 Ų52.710%0.09626%0.255CS..  trans-120.4149.9-176.1-67.5-91.8000111.1V505 F510 R547 L550 D558 M559 C562V505-F553 HydrophobicContact CB-CD1 4.35Å; V505-F553 HydrophobicContact CB-CE1 3.99Å; V505-F553 HydrophobicContact CG1-CE1 4.28Å; V505-F553 HydrophobicContact CG2-CD1 4.23Å; V505-F553 HydrophobicContact CG2-CE1 3.7Å; V505-F553 HydrophobicContact CG2-CE2 4.32Å; V505-F553 HydrophobicContact CG2-CZ 3.76Å; F510-F553 HydrophobicContact CZ-CD1 4.27Å; F510-F553 AromaticContact CZ-CE1 3.91Å; F510-F553 HydrophobicContact CZ-CE1 3.91Å; R547-F553 VanDerWaalsContact O-CE2 3.31Å; R547-F553 WeakPolarHBondContact O-CE2 3.4Å; L550-F553 PolarHBondContact O-N 2.9Å; F553-D558 HydrophobicContact CD1-CB 3.93Å; F553-M559 HydrophobicContact CB-CB 4.11Å; F553-M559 HydrophobicContact CD1-CB 4.16Å; F553-M559 HydrophobicContact CD2-CB 3.62Å; F553-M559 HydrophobicContact CD2-CE 4.4Å; F553-M559 HydrophobicContact CD2-CG 3.65Å; F553-M559 HydrophobicContact CE2-CB 4.01Å; F553-M559 HydrophobicContact CE2-CG 3.69Å; F553-M559 HydrophobicContact CG-CB 3.7Å; F553-M559 HydrophobicContact CG-CG 4.26Å; F553-M559 HydrophobicContact CZ-CB 4.43Å; F553-M559 HydrophobicContact CZ-CG 4.33Å; F553-C562 HydrophobicContact CE1-CB 3.7Å; F553-C562 HydrophobicContact CZ-CB 3.78Å
554E70.1Confident73Confident151 Ų15152.1 Ų52.171%0.70625%0.252SS*.SBendtrans-79.4-32.1176.4-58.6-163.8148.100112.2K504K504-E554 HydrophobicContact CD-CG 3.8Å; K504-E554 VanDerWaalsContact CD-OE1 3.31Å; K504-E554 WeakPolarHBondContact CD-OE1 3.35Å; K504-E554 IonicContact NZ-OE1 3.79Å; K504-E554 PolarHBondContact NZ-OE1 3.33Å
555C70.1Confident73.4Confident52 Ų5252.7 Ų52.735%0.35126%0.255SS..SBendtrans-129.8147.6-178.6-1730000110.9E557 D558 M559C555-E557 VanDerWaalsContact C-N 3.26Å; C555-E557 PolarHBondContact O-N 3.34Å; C555-E557 PolarHBondContact SG-N 2.72Å; C555-D558 HydrophobicContact CB-CB 4.43Å; C555-D558 PolarHBondContact O-N 2.91Å; C555-M559 PolarHBondContact O-N 3.47Å
556L72.2Confident73.9Confident84 Ų8452.4 Ų52.444%0.4425%0.253SS..Hα-helixtrans-59.9-39.2172.3177.466.4000111L550 D558 M559 V560L550-L556 HydrophobicContact CD2-CD1 3.92Å; L556-D558 VanDerWaalsContact C-N 3.3Å; L556-D558 PolarHBondContact O-N 2.92Å; L556-M559 PolarHBondContact O-N 3.37Å; L556-V560 HydrophobicContact CD1-CG2 4.04Å; L556-V560 HydrophobicContact CG-CG2 4.13Å; L556-V560 WeakPolarHBondContact O-CB 3.5Å; L556-V560 WeakPolarHBondContact O-CG2 3.26Å; L556-V560 PolarHBondContact O-N 2.91Å
557E70.7Confident74.5Confident124 Ų12448.4 Ų48.458%0.57924%0.238SC*.Hα-helixtrans-58.8-40.9178.3-64.9179.7-174.600112.1C555 V560 T561C555-E557 VanDerWaalsContact C-N 3.26Å; C555-E557 PolarHBondContact O-N 3.34Å; C555-E557 PolarHBondContact SG-N 2.72Å; E557-V560 PolarHBondContact O-N 3.48Å; E557-T561 WeakPolarHBondContact O-CB 3.49Å; E557-T561 VanDerWaalsContact O-CG2 3.24Å; E557-T561 WeakPolarHBondContact O-CG2 3.26Å; E557-T561 PolarHBondContact O-N 3.5Å; E557-T561 PolarHBondContact O-OG1 3.48Å
558D74.6Confident75Confident65 Ų6548.5 Ų48.535%0.34824%0.239SC..Hα-helixtrans-66.7-39.4178.7-71.8-21.5000111.6F510 F553 C555 L556 T561 C562F510-D558 HydrophobicContact CE1-CB 4.49Å; F510-D558 VanDerWaalsContact CE1-O 3.23Å; F510-D558 WeakPolarHBondContact CE1-O 3.28Å; F510-D558 HydrophobicContact CZ-CB 3.9Å; F510-D558 WeakPolarHBondContact CZ-O 3.46Å; F553-D558 HydrophobicContact CD1-CB 3.93Å; C555-D558 HydrophobicContact CB-CB 4.43Å; C555-D558 PolarHBondContact O-N 2.91Å; L556-D558 VanDerWaalsContact C-N 3.3Å; L556-D558 PolarHBondContact O-N 2.92Å; D558-T561 WeakPolarHBondContact CA-OG1 3.43Å; D558-T561 PolarHBondContact O-OG1 3.34Å; D558-C562 VanDerWaalsContact O-CB 3.23Å; D558-C562 WeakPolarHBondContact O-CB 3.28Å; D558-C562 PolarHBondContact O-N 3.19Å
559M78.4Confident75.5Confident5 Ų548.5 Ų48.53%0.02524%0.239CC..Hα-helixtrans-65.3-45.5173.8-173.3-154.7-48.200111.4I548 L550 F553 C555 L556 T561 C562 G563 L610I548-M559 HydrophobicContact CG2-CG 3.88Å; I548-M559 HydrophobicContact CG2-SD 4.06Å; L550-M559 HydrophobicContact CB-CE 3.88Å; L550-M559 HydrophobicContact CD2-CE 3.37Å; L550-M559 HydrophobicContact CG-CE 3.47Å; L550-M559 VanDerWaalsContact CG-CE 3.47Å; F553-M559 HydrophobicContact CB-CB 4.11Å; F553-M559 HydrophobicContact CD1-CB 4.16Å; F553-M559 HydrophobicContact CD2-CB 3.62Å; F553-M559 HydrophobicContact CD2-CE 4.4Å; F553-M559 HydrophobicContact CD2-CG 3.65Å; F553-M559 HydrophobicContact CE2-CB 4.01Å; F553-M559 HydrophobicContact CE2-CG 3.69Å; F553-M559 HydrophobicContact CG-CB 3.7Å; F553-M559 HydrophobicContact CG-CG 4.26Å; F553-M559 HydrophobicContact CZ-CB 4.43Å; F553-M559 HydrophobicContact CZ-CG 4.33Å; C555-M559 PolarHBondContact O-N 3.47Å; L556-M559 PolarHBondContact O-N 3.37Å; M559-T561 VanDerWaalsContact C-N 3.35Å; M559-C562 PolarHBondContact O-N 2.92Å; M559-G563 PolarHBondContact O-N 3.46Å; M559-L610 HydrophobicContact SD-CD2 4.43Å
560V76.6Confident76Confident7 Ų742.9 Ų42.94%0.04222%0.218CC..Hα-helixtrans-65.7-41.3-176.6173.70000110.4L556 E557 S564 A629 T630 M633L556-V560 HydrophobicContact CD1-CG2 4.04Å; L556-V560 HydrophobicContact CG-CG2 4.13Å; L556-V560 WeakPolarHBondContact O-CB 3.5Å; L556-V560 WeakPolarHBondContact O-CG2 3.26Å; L556-V560 PolarHBondContact O-N 2.91Å; E557-V560 PolarHBondContact O-N 3.48Å; V560-S564 VanDerWaalsContact O-CB 3.23Å; V560-S564 WeakPolarHBondContact O-CB 3.25Å; V560-S564 PolarHBondContact O-N 3.04Å; V560-S564 PolarHBondContact O-OG 2.85Å; V560-A629 HydrophobicContact CG1-CB 3.7Å; V560-A629 VanDerWaalsContact CG1-O 3.3Å; V560-A629 WeakPolarHBondContact CG1-O 3.47Å; V560-T630 HydrophobicContact CB-CG2 4.38Å; V560-T630 HydrophobicContact CG1-CG2 3.79Å; V560-T630 HydrophobicContact CG2-CG2 3.75Å; V560-M633 HydrophobicContact CB-CE 4.49Å; V560-M633 HydrophobicContact CG1-CB 4.23Å; V560-M633 HydrophobicContact CG1-SD 4.29Å; V560-M633 VanDerWaalsContact O-CE 3.28Å; V560-M633 WeakPolarHBondContact O-CE 3.21Å
561T76.8Confident76.8Confident49 Ų4938.8 Ų38.830%0.30120%0.196SC..Hα-helixtrans-65.2-48.3174.852.60000111.3E557 D558 M559 G563 S564 L565E557-T561 WeakPolarHBondContact O-CB 3.49Å; E557-T561 VanDerWaalsContact O-CG2 3.24Å; E557-T561 WeakPolarHBondContact O-CG2 3.26Å; E557-T561 PolarHBondContact O-N 3.5Å; E557-T561 PolarHBondContact O-OG1 3.48Å; D558-T561 WeakPolarHBondContact CA-OG1 3.43Å; D558-T561 PolarHBondContact O-OG1 3.34Å; M559-T561 VanDerWaalsContact C-N 3.35Å; T561-G563 PolarHBondContact O-N 3.42Å; T561-S564 PolarHBondContact O-N 2.98Å; T561-S564 PolarHBondContact O-OG 2.75Å; T561-L565 WeakPolarHBondContact O-CG 3.29Å; T561-L565 PolarHBondContact O-N 3.31Å
562C80.4Confident77.3Confident0 Ų031.6 Ų31.60%016%0.164CC..Hα-helixtrans-57.4-50.7177.2-1740000111.6F510 F553 D558 M559 S564 L565 V566F510-C562 HydrophobicContact CD1-CB 4.32Å; F510-C562 HydrophobicContact CE1-CB 3.57Å; F510-C562 HydrophobicContact CZ-CB 4.11Å; F553-C562 HydrophobicContact CE1-CB 3.7Å; F553-C562 HydrophobicContact CZ-CB 3.78Å; D558-C562 VanDerWaalsContact O-CB 3.23Å; D558-C562 WeakPolarHBondContact O-CB 3.28Å; D558-C562 PolarHBondContact O-N 3.19Å; M559-C562 PolarHBondContact O-N 2.92Å; C562-S564 VanDerWaalsContact C-N 3.35Å; C562-S564 PolarHBondContact O-N 3.04Å; C562-L565 PolarHBondContact O-N 3.47Å; C562-V566 WeakPolarHBondContact O-CG2 3.5Å; C562-V566 PolarHBondContact O-N 2.95Å
563G78.9Confident77.5Confident0 Ų030.1 Ų30.10%016%0.156CC..Hα-helixtrans-68.8-32.1-179.600000112.9M559 T561 L565 M567 M633M559-G563 PolarHBondContact O-N 3.46Å; T561-G563 PolarHBondContact O-N 3.42Å; G563-L565 VanDerWaalsContact C-N 3.34Å; G563-L565 PolarHBondContact O-N 3.02Å; G563-M567 WeakPolarHBondContact O-CB 3.2Å; G563-M567 WeakPolarHBondContact O-CG 3.22Å; G563-M567 PolarHBondContact O-N 3.29Å; G563-M633 VanDerWaalsContact C-CE 3.47Å
564S81.1Confident77.5Confident7 Ų730.1 Ų30.15%0.04916%0.157CC..Hα-helixtrans-62.5-41.7172.377.10000111.5V560 T561 C562 E568V560-S564 VanDerWaalsContact O-CB 3.23Å; V560-S564 WeakPolarHBondContact O-CB 3.25Å; V560-S564 PolarHBondContact O-N 3.04Å; V560-S564 PolarHBondContact O-OG 2.85Å; T561-S564 PolarHBondContact O-N 2.98Å; T561-S564 PolarHBondContact O-OG 2.75Å; C562-S564 VanDerWaalsContact C-N 3.35Å; C562-S564 PolarHBondContact O-N 3.04Å; S564-E568 WeakPolarHBondContact O-CB 3.34Å; S564-E568 PolarHBondContact O-N 3.48Å
565L82.6Confident77.7Confident14 Ų1426.6 Ų26.67%0.07314%0.137CC..Hα-helixtrans-68.4-47.3178.1-70.9166.7000111.7L513 N514 N517 T561 C562 G563 M567 E568 I569L513-L565 HydrophobicContact CB-CB 4.43Å; L513-L565 HydrophobicContact CB-CD1 4.27Å; N514-L565 WeakPolarHBondContact OD1-CD1 3.43Å; N514-L565 WeakPolarHBondContact OD1-CD2 3.06Å; N517-L565 HydrophobicContact CB-CD2 4.12Å; T561-L565 WeakPolarHBondContact O-CG 3.29Å; T561-L565 PolarHBondContact O-N 3.31Å; C562-L565 PolarHBondContact O-N 3.47Å; G563-L565 VanDerWaalsContact C-N 3.34Å; G563-L565 PolarHBondContact O-N 3.02Å; L565-M567 VanDerWaalsContact C-N 3.32Å; L565-M567 PolarHBondContact O-N 3.06Å; L565-E568 PolarHBondContact O-N 3.23Å; L565-I569 WeakPolarHBondContact O-CB 3.31Å; L565-I569 WeakPolarHBondContact O-CD1 3.3Å; L565-I569 WeakPolarHBondContact O-CG1 3.35Å; L565-I569 PolarHBondContact O-N 3.22Å
566V83Confident77.7Confident0 Ų026.3 Ų26.30%013%0.13CC..Hα-helixtrans-60.3-43.5179.1171.80000110.9L513 V540 N544 L545 I548 C562 L570L513-V566 HydrophobicContact CD1-CG2 4.01Å; L513-V566 HydrophobicContact CD2-CG2 4.28Å; V540-V566 HydrophobicContact CG1-CG1 4.01Å; V540-V566 HydrophobicContact CG1-CG2 4.47Å; N544-V566 HydrophobicContact CB-CG2 4.05Å; L545-V566 HydrophobicContact CB-CG1 4.37Å; L545-V566 HydrophobicContact CD1-CG1 3.79Å; I548-V566 HydrophobicContact CD1-CB 4.41Å; I548-V566 HydrophobicContact CD1-CG1 4.45Å; C562-V566 WeakPolarHBondContact O-CG2 3.5Å; C562-V566 PolarHBondContact O-N 2.95Å; V566-L570 PolarHBondContact O-N 2.78Å
567M80.9Confident77.4Confident0 Ų022.7 Ų22.70%011%0.111CC..Hα-helixtrans-70.8-35.2177.6-63.9-65.3-178.300112.1L545 G563 L565 L570 Y571 I606 I607 L610 V636 I637 L640L545-M567 HydrophobicContact CD1-CE 3.71Å; L545-M567 HydrophobicContact CD1-SD 4.32Å; G563-M567 WeakPolarHBondContact O-CB 3.2Å; G563-M567 WeakPolarHBondContact O-CG 3.22Å; G563-M567 PolarHBondContact O-N 3.29Å; L565-M567 VanDerWaalsContact C-N 3.32Å; L565-M567 PolarHBondContact O-N 3.06Å; M567-L570 PolarHBondContact O-N 3.34Å; M567-Y571 WeakPolarHBondContact O-CB 3.41Å; M567-Y571 PolarHBondContact O-N 2.89Å; M567-I606 HydrophobicContact CE-CG2 4.44Å; M567-I607 HydrophobicContact CE-CD1 4.48Å; M567-I607 HydrophobicContact CE-CG1 3.71Å; M567-I607 HydrophobicContact SD-CG1 4.36Å; M567-L610 HydrophobicContact CE-CD1 4.48Å; M567-V636 VanDerWaalsContact C-CG1 3.46Å; M567-V636 HydrophobicContact CB-CG1 3.7Å; M567-I637 HydrophobicContact CB-CG1 4.47Å; M567-I637 HydrophobicContact CG-CG1 3.96Å; M567-I637 HydrophobicContact SD-CG1 4.4Å; M567-L640 HydrophobicContact SD-CD2 4.09Å
568E82.9Confident76.9Confident20 Ų2020.5 Ų20.59%0.09310%0.101CC..Hα-helixtrans-66.9-42.3176.5-167.6179.1150.900110.6N517 R521 S564 L565 L570 Y571 T572 K632 V636N517-E568 PolarHBondContact ND2-OE1 2.69Å; N517-E568 VanDerWaalsContact ND2-OE1 3.14Å; N517-E568 WeakPolarHBondContact OD1-CG 3.41Å; R521-E568 IonicContact CZ-OE1 2.82Å; R521-E568 IonicContact NE-OE1 3.81Å; R521-E568 IonicContact NH2-OE1 3.58Å; R521-E568 PolarHBondContact NH2-OE1 3.12Å; S564-E568 WeakPolarHBondContact O-CB 3.34Å; S564-E568 PolarHBondContact O-N 3.48Å; L565-E568 PolarHBondContact O-N 3.23Å; E568-L570 PolarHBondContact O-N 3.06Å; E568-Y571 PolarHBondContact O-N 2.85Å; E568-T572 HydrophobicContact CG-CG2 4.41Å; E568-T572 WeakPolarHBondContact O-CB 3.29Å; E568-T572 VanDerWaalsContact O-CG2 3.28Å; E568-T572 WeakPolarHBondContact O-CG2 3.43Å; E568-T572 PolarHBondContact O-N 2.91Å; E568-T572 PolarHBondContact O-OG1 2.98Å; E568-K632 VanDerWaalsContact OE2-CE 3.28Å; E568-K632 WeakPolarHBondContact OE2-CE 3.43Å; E568-K632 IonicContact OE2-NZ 3.96Å; E568-K632 PolarHBondContact OE2-NZ 3.33Å; E568-V636 HydrophobicContact CB-CG1 4.17Å
569I82.8Confident76Confident0 Ų021 Ų210%011%0.11CC..Hα-helixtrans-60.1-45.3173.1-67.5162000110.5L513 I516 N517 V520 V540 F541 L565 T572 T573L513-I569 HydrophobicContact CD2-CD1 4.06Å; I516-I569 HydrophobicContact CB-CD1 4.24Å; I516-I569 HydrophobicContact CG2-CD1 3.97Å; I516-I569 HydrophobicContact CG2-CG1 4.31Å; I516-I569 HydrophobicContact CG2-CG2 4.13Å; N517-I569 HydrophobicContact CB-CD1 4.16Å; N517-I569 HydrophobicContact CB-CG1 3.81Å; V520-I569 HydrophobicContact CG2-CG2 4.33Å; V540-I569 HydrophobicContact CG1-CB 4.37Å; V540-I569 HydrophobicContact CG1-CD1 4.38Å; V540-I569 HydrophobicContact CG1-CG2 4.04Å; V540-I569 HydrophobicContact CG2-CD1 4.45Å; F541-I569 HydrophobicContact CZ-CG2 4.5Å; L565-I569 WeakPolarHBondContact O-CB 3.31Å; L565-I569 WeakPolarHBondContact O-CD1 3.3Å; L565-I569 WeakPolarHBondContact O-CG1 3.35Å; L565-I569 PolarHBondContact O-N 3.22Å; I569-T572 WeakPolarHBondContact CA-OG1 3.42Å; I569-T572 PolarHBondContact O-OG1 3.49Å; I569-T573 HydrophobicContact CG2-CG2 4.47Å; I569-T573 WeakPolarHBondContact O-CB 3.33Å; I569-T573 WeakPolarHBondContact O-CG2 3.35Å; I569-T573 PolarHBondContact O-N 3.15Å; I569-T573 PolarHBondContact O-OG1 3.33Å
570L79.4Confident74.6Confident3 Ų325 Ų252%0.01613%0.131CC..Hα-helixtrans-62.7-46.8178.5-17555000112.3F541 V566 M567 E568 T573 L574 F593 T597 L603 L640F541-L570 HydrophobicContact CD1-CD1 4.21Å; F541-L570 HydrophobicContact CE1-CB 3.64Å; F541-L570 HydrophobicContact CE1-CD1 3.58Å; F541-L570 HydrophobicContact CE1-CD2 4.41Å; F541-L570 HydrophobicContact CE1-CG 4.04Å; F541-L570 HydrophobicContact CE2-CD1 4.32Å; F541-L570 HydrophobicContact CZ-CB 4.17Å; F541-L570 HydrophobicContact CZ-CD1 3.62Å; F541-L570 HydrophobicContact CZ-CG 4.45Å; V566-L570 PolarHBondContact O-N 2.78Å; M567-L570 PolarHBondContact O-N 3.34Å; E568-L570 PolarHBondContact O-N 3.06Å; L570-T573 WeakPolarHBondContact CA-OG1 3.04Å; L570-T573 PolarHBondContact O-OG1 2.89Å; L570-L574 HydrophobicContact CD1-CD1 3.97Å; L570-L574 HydrophobicContact CD1-CG 4.3Å; L570-L574 HydrophobicContact CG-CD1 4.13Å; L570-L574 WeakPolarHBondContact O-CB 3.48Å; L570-L574 WeakPolarHBondContact O-CG 3.2Å; L570-L574 PolarHBondContact O-N 3.47Å; L570-L574 VanDerWaalsContact O-N 3.12Å; L570-F593 HydrophobicContact CD1-CE1 3.88Å; L570-F593 HydrophobicContact CD1-CZ 3.82Å; L570-T597 HydrophobicContact CD1-CG2 3.84Å; L570-L603 HydrophobicContact CD2-CD1 3.65Å; L570-L640 HydrophobicContact CB-CD1 4.48Å; L570-L640 HydrophobicContact CD2-CD1 4.14Å; L570-L640 HydrophobicContact CD2-CD2 3.57Å; L570-L640 HydrophobicContact CD2-CG 4.5Å; L570-L640 HydrophobicContact CG-CD1 3.86Å; L570-L640 HydrophobicContact CG-CD2 4.15Å
571Y79.5Confident73.2Confident10 Ų1029.6 Ų29.64%0.03917%0.17CC..Hα-helixtrans-64.5-46.8179.9169.9-104.3000111.8M567 E568 L574 R575 K639 L640 Y643M567-Y571 WeakPolarHBondContact O-CB 3.41Å; M567-Y571 PolarHBondContact O-N 2.89Å; E568-Y571 PolarHBondContact O-N 2.85Å; Y571-L574 PolarHBondContact O-N 3.22Å; Y571-R575 WeakPolarHBondContact O-CB 3.28Å; Y571-R575 PolarHBondContact O-N 3.22Å; Y571-K639 HydrophobicContact CD2-CB 4.19Å; Y571-K639 HydrophobicContact CE2-CB 3.92Å; Y571-L640 HydrophobicContact CD2-CB 4.49Å; Y571-Y643 HydrophobicContact CE2-CD2 4.35Å; Y571-Y643 HydrophobicContact CE2-CG 4.14Å
572T80.7Confident71.8Confident18 Ų1828.7 Ų28.711%0.1116%0.164CC..Hα-helixtrans-67.9-40-177.550.30000112.5V520 E568 I569 K576V520-T572 WeakPolarHBondContact CG1-OG1 3.05Å; E568-T572 HydrophobicContact CG-CG2 4.41Å; E568-T572 WeakPolarHBondContact O-CB 3.29Å; E568-T572 VanDerWaalsContact O-CG2 3.28Å; E568-T572 WeakPolarHBondContact O-CG2 3.43Å; E568-T572 PolarHBondContact O-N 2.91Å; E568-T572 PolarHBondContact O-OG1 2.98Å; I569-T572 WeakPolarHBondContact CA-OG1 3.42Å; I569-T572 PolarHBondContact O-OG1 3.49Å; T572-K576 PolarHBondContact O-N 3.37Å
573T74.9Confident70.4Confident2 Ų232.1 Ų32.11%0.01219%0.193CC..Hα-helixtrans-60.6-53.1172.5430000111.8V520 F537 I569 L570 R575 K576 V577 F593V520-T573 HydrophobicContact CB-CG2 4.37Å; V520-T573 HydrophobicContact CG1-CG2 3.38Å; V520-T573 HydrophobicContact CG2-CG2 3.99Å; F537-T573 HydrophobicContact CE1-CG2 3.63Å; F537-T573 HydrophobicContact CZ-CG2 4.23Å; I569-T573 HydrophobicContact CG2-CG2 4.47Å; I569-T573 WeakPolarHBondContact O-CB 3.33Å; I569-T573 WeakPolarHBondContact O-CG2 3.35Å; I569-T573 PolarHBondContact O-N 3.15Å; I569-T573 PolarHBondContact O-OG1 3.33Å; L570-T573 WeakPolarHBondContact CA-OG1 3.04Å; L570-T573 PolarHBondContact O-OG1 2.89Å; T573-R575 VanDerWaalsContact C-N 3.26Å; T573-R575 PolarHBondContact O-N 3.14Å; T573-K576 PolarHBondContact O-N 3.41Å; T573-V577 VanDerWaalsContact O-CG2 3.24Å; T573-V577 WeakPolarHBondContact O-CG2 3Å; T573-V577 PolarHBondContact O-N 3.03Å; T573-F593 HydrophobicContact CG2-CE2 4.46Å; T573-F593 HydrophobicContact CG2-CZ 4.45Å; T573-F593 VanDerWaalsContact OG1-CZ 3.29Å; T573-F593 WeakPolarHBondContact OG1-CZ 3.36Å
574L71.7Confident68.9Low21 Ų2135.5 Ų35.511%0.1122%0.221CC..Hα-helixtrans-57.8-41.9-179.7-76172.1000111.9L570 Y571 H578 F593 V594 L640 Y643 V644L570-L574 HydrophobicContact CD1-CD1 3.97Å; L570-L574 HydrophobicContact CD1-CG 4.3Å; L570-L574 HydrophobicContact CG-CD1 4.13Å; L570-L574 WeakPolarHBondContact O-CB 3.48Å; L570-L574 WeakPolarHBondContact O-CG 3.2Å; L570-L574 PolarHBondContact O-N 3.47Å; L570-L574 VanDerWaalsContact O-N 3.12Å; Y571-L574 PolarHBondContact O-N 3.22Å; L574-H578 PolarHBondContact O-N 3.39Å; L574-F593 HydrophobicContact CD2-CD1 3.84Å; L574-F593 HydrophobicContact CD2-CE1 3.5Å; L574-F593 HydrophobicContact CG-CE1 3.79Å; L574-V594 HydrophobicContact CD2-CG2 4.1Å; L574-L640 HydrophobicContact CD1-CD1 3.72Å; L574-Y643 HydrophobicContact CB-CD1 4.3Å; L574-Y643 HydrophobicContact CB-CE1 3.93Å; L574-Y643 PolarHBondContact O-OH 3.2Å; L574-V644 HydrophobicContact CD1-CG2 4.26Å
575R73Confident67.4Low77 Ų7745.5 Ų45.529%0.29126%0.258SS..Hα-helixtrans-63.9-48.2-178-177.2160.4174.2-108.311.6113.8Y571 T573 Y643 E757Y571-R575 WeakPolarHBondContact O-CB 3.28Å; Y571-R575 PolarHBondContact O-N 3.22Å; T573-R575 VanDerWaalsContact C-N 3.26Å; T573-R575 PolarHBondContact O-N 3.14Å; R575-Y643 VanDerWaalsContact CA-CZ 3.49Å; R575-Y643 WeakPolarHBondContact CA-OH 3.3Å; R575-Y643 HydrophobicContact CB-CE2 3.97Å; R575-Y643 HydrophobicContact CG-CE2 3.87Å; R575-E757 IonicContact CZ-OE1 2.79Å; R575-E757 IonicContact CZ-OE2 4Å; R575-E757 IonicContact NH1-OE1 3.56Å; R575-E757 PolarHBondContact NH1-OE1 2.97Å; R575-E757 IonicContact NH1-OE2 3.96Å; R575-E757 PolarHBondContact NH1-OE2 3.37Å; R575-E757 IonicContact NH2-OE1 3.76Å; R575-E757 IonicContact NH2-OE2 3.23Å; R575-E757 PolarHBondContact NH2-OE2 3.2Å
576K71.5Confident66.1Low47 Ų4747.4 Ų47.420%0.20427%0.268CS..Hα-helixtrans-73.9-27.5-174.7-81.4173166.9-89.10113.9V520 R521 E523 I526 T572 T573 S579V520-K576 WeakPolarHBondContact O-CD 3.34Å; R521-K576 WeakPolarHBondContact O-CE 3.18Å; R521-K576 PolarHBondContact O-NZ 3.02Å; E523-K576 HydrophobicContact CG-CB 3.89Å; E523-K576 HydrophobicContact CG-CD 4.19Å; E523-K576 HydrophobicContact CG-CG 4.11Å; E523-K576 IonicContact OE1-NZ 3.55Å; E523-K576 PolarHBondContact OE1-NZ 3.23Å; I526-K576 HydrophobicContact CD1-CB 3.6Å; I526-K576 HydrophobicContact CD1-CD 3.79Å; I526-K576 HydrophobicContact CD1-CG 4.32Å; T572-K576 PolarHBondContact O-N 3.37Å; T573-K576 PolarHBondContact O-N 3.41Å; K576-S579 PolarHBondContact O-OG 3.42Å
577V64.8Low64.7Low8 Ų850.7 Ų50.75%0.04828%0.283CS..Hα-helixtrans-82.7-20.2-179.2-167.40000111.8I526 M530 T573 L590I526-V577 HydrophobicContact CG2-CG2 3.74Å; M530-V577 HydrophobicContact SD-CG2 4.22Å; T573-V577 VanDerWaalsContact O-CG2 3.24Å; T573-V577 WeakPolarHBondContact O-CG2 3Å; T573-V577 PolarHBondContact O-N 3.03Å; V577-L590 HydrophobicContact CB-CD1 3.72Å; V577-L590 HydrophobicContact CG1-CB 4.07Å; V577-L590 HydrophobicContact CG1-CD1 3.27Å; V577-L590 HydrophobicContact CG1-CG 4.22Å
578H59.7Low63.2Low78 Ų7857.6 Ų57.636%0.36132%0.315SS..Hα-helixtrans-89.7-18.7179-160.3-65.4000114.1L574 Y643L574-H578 PolarHBondContact O-N 3.39Å; H578-Y643 WeakPolarHBondContact CB-OH 3.27Å
579S56.3Low61.7Low75 Ų7557.9 Ų57.952%0.52432%0.321SS..SBendtrans-73-25.7-17548.90000114.3K576K576-S579 PolarHBondContact O-OG 3.42Å
580D48.8Very low60.4Low89 Ų8959.9 Ų59.948%0.47633%0.332SS..SBendtrans-117.1136.3-178.3-78.6-23.8000111.8P582D580-P582 WeakPolarHBondContact O-CD 3.42Å; D580-P582 WeakPolarHBondContact O-CG 3.34Å
581A46.9Very low59.1Low103 Ų10362 Ų6285%0.85135%0.35SS*.  trans-53.5102.1172.600000109.4A583A581-A583 PolarHBondContact O-N 3.2Å
582P48Very low57.9Low30 Ų3068 Ų6820%0.19538%0.38CS..  trans-75.3135-171-4.420.8000107.3D580 A584 N586 Q587D580-P582 WeakPolarHBondContact O-CD 3.42Å; D580-P582 WeakPolarHBondContact O-CG 3.34Å; P582-A584 PolarHBondContact O-N 3.09Å; P582-N586 HydrophobicContact CB-CB 3.45Å; P582-N586 VanDerWaalsContact CB-CB 3.45Å; P582-Q587 HydrophobicContact CB-CG 4.12Å; P582-Q587 HydrophobicContact CG-CG 3.98Å
583A50.5Low56.9Low72 Ų7267.9 Ų67.960%0.59538%0.378SS*.  trans-46.6138.7161.800000108.7A581 R585 N586A581-A583 PolarHBondContact O-N 3.2Å; A583-R585 PolarHBondContact O-N 3.36Å; A583-N586 WeakPolarHBondContact O-CB 3.08Å; A583-N586 PolarHBondContact O-N 2.7Å
584A47.7Very low56.1Low71 Ų7170 Ų7059%0.58739%0.391SS*.Hα-helixtrans-45.4-29.2-167.600000115.8P582 Q587P582-A584 PolarHBondContact O-N 3.09Å; A584-Q587 PolarHBondContact O-N 3.47Å
585R50.1Low55.3Low218 Ų21874.3 Ų74.382%0.82341%0.406SS*.Hα-helixtrans-69.1-30.2176.1-73.4-176.6174.3-179.4-1.9114.9A583 Q587A583-R585 PolarHBondContact O-N 3.36Å; R585-Q587 VanDerWaalsContact C-N 3.28Å
586N55.1Low54.4Low54 Ų5473 Ų7329%0.28941%0.409SS..Hα-helixtrans-74.9-22178-68.8-6000111.6Y527 P582 A583 L590Y527-N586 HydrophobicContact CE1-CB 4.23Å; Y527-N586 WeakPolarHBondContact CE1-ND2 3.42Å; P582-N586 HydrophobicContact CB-CB 3.45Å; P582-N586 VanDerWaalsContact CB-CB 3.45Å; A583-N586 WeakPolarHBondContact O-CB 3.08Å; A583-N586 PolarHBondContact O-N 2.7Å; N586-L590 WeakPolarHBondContact O-CB 3.35Å; N586-L590 PolarHBondContact O-N 2.98Å
587Q52.9Low53.7Low68 Ų6871.1 Ų71.132%0.31840%0.401SS..Hα-helixtrans-69.6-35.9177-68.7-172.5-25.400112.8P582 A584 R585 L590 A591P582-Q587 HydrophobicContact CB-CG 4.12Å; P582-Q587 HydrophobicContact CG-CG 3.98Å; A584-Q587 PolarHBondContact O-N 3.47Å; R585-Q587 VanDerWaalsContact C-N 3.28Å; Q587-L590 PolarHBondContact O-N 3.2Å; Q587-A591 VanDerWaalsContact O-CB 3.23Å; Q587-A591 WeakPolarHBondContact O-CB 3.47Å; Q587-A591 PolarHBondContact O-N 2.99Å
588E51Low53.5Low145 Ų14572.5 Ų72.568%0.67841%0.407SS*.Hα-helixtrans-65.6-45175.5-79.7-178.6171.400111.7L590 A591 M592E588-L590 VanDerWaalsContact C-N 3.34Å; E588-L590 PolarHBondContact O-N 3.22Å; E588-A591 PolarHBondContact O-N 3.29Å; E588-M592 WeakPolarHBondContact O-CG 3.48Å; E588-M592 PolarHBondContact O-N 3.13Å
589A50.4Low53.2Low27 Ų2771.9 Ų71.922%0.22341%0.412CS..Hα-helixtrans-66-38.6178.800000111.4M530 F593M530-A589 VanDerWaalsContact CE-C 3.46Å; M530-A589 HydrophobicContact CE-CB 3.68Å; M530-A589 WeakPolarHBondContact CE-O 3.41Å; A589-F593 VanDerWaalsContact O-CB 3.27Å; A589-F593 WeakPolarHBondContact O-CB 3.48Å; A589-F593 PolarHBondContact O-N 3.03Å
590L55.4Low53.2Low41 Ų4171.7 Ų71.722%0.21540%0.403CS..Hα-helixtrans-64.8-43.5171178138.4000111.6V577 N586 Q587 E588 M592 F593 V594V577-L590 HydrophobicContact CB-CD1 3.72Å; V577-L590 HydrophobicContact CG1-CB 4.07Å; V577-L590 HydrophobicContact CG1-CD1 3.27Å; V577-L590 HydrophobicContact CG1-CG 4.22Å; N586-L590 WeakPolarHBondContact O-CB 3.35Å; N586-L590 PolarHBondContact O-N 2.98Å; Q587-L590 PolarHBondContact O-N 3.2Å; E588-L590 VanDerWaalsContact C-N 3.34Å; E588-L590 PolarHBondContact O-N 3.22Å; L590-M592 PolarHBondContact O-N 3.47Å; L590-F593 WeakPolarHBondContact O-CB 3.5Å; L590-F593 PolarHBondContact O-N 2.98Å; L590-V594 HydrophobicContact CD2-CG2 4.14Å; L590-V594 HydrophobicContact CG-CG2 4.16Å; L590-V594 WeakPolarHBondContact O-CB 3.19Å; L590-V594 VanDerWaalsContact O-CG2 3.24Å; L590-V594 WeakPolarHBondContact O-CG2 3.07Å; L590-V594 PolarHBondContact O-N 3.33Å
591A53Low53.5Low49 Ų4971.4 Ų71.441%0.40540%0.404SS..Hα-helixtrans-63.4-41177.900000111.5Q587 E588 R595Q587-A591 VanDerWaalsContact O-CB 3.23Å; Q587-A591 WeakPolarHBondContact O-CB 3.47Å; Q587-A591 PolarHBondContact O-N 2.99Å; E588-A591 PolarHBondContact O-N 3.29Å; A591-R595 WeakPolarHBondContact O-CB 3.14Å; A591-R595 PolarHBondContact O-N 3.16Å
592M53.3Low54.4Low135 Ų13569.4 Ų69.467%0.66538%0.378SS*.Hα-helixtrans-65.5-41.1172.7-71.5-160.2-61.900112.2E588 L590 R595 S596E588-M592 WeakPolarHBondContact O-CG 3.48Å; E588-M592 PolarHBondContact O-N 3.13Å; L590-M592 PolarHBondContact O-N 3.47Å; M592-R595 PolarHBondContact O-N 3.24Å; M592-S596 VanDerWaalsContact O-CB 3.26Å; M592-S596 WeakPolarHBondContact O-CB 3.48Å; M592-S596 PolarHBondContact O-N 2.99Å; M592-S596 PolarHBondContact O-OG 3.47Å
593F59.2Low55.4Low16 Ų1669.4 Ų69.47%0.0738%0.376CS..Hα-helixtrans-61.7-50.7175.7-178.2-81.6000111.5M530 F537 F541 L570 T573 L574 A589 L590 S596 T597M530-F593 HydrophobicContact CE-CB 4.29Å; F537-F593 HydrophobicContact CB-CE2 4.44Å; F537-F593 HydrophobicContact CD1-CD2 4.3Å; F537-F593 AromaticContact CD1-CE2 3.66Å; F537-F593 HydrophobicContact CD1-CE2 3.66Å; F537-F593 HydrophobicContact CE1-CE2 4.05Å; F537-F593 HydrophobicContact CG-CD2 4.17Å; F537-F593 AromaticContact CG-CE2 3.98Å; F537-F593 HydrophobicContact CG-CE2 3.98Å; F541-F593 HydrophobicContact CD2-CE2 4.31Å; F541-F593 HydrophobicContact CD2-CZ 4.49Å; F541-F593 HydrophobicContact CE2-CD2 4.25Å; F541-F593 AromaticContact CE2-CE2 3.31Å; F541-F593 HydrophobicContact CE2-CE2 3.31Å; F541-F593 AromaticContact CE2-CZ 3.45Å; F541-F593 HydrophobicContact CE2-CZ 3.45Å; F541-F593 VanDerWaalsContact CE2-CZ 3.45Å; F541-F593 AromaticContact CZ-CE2 3.89Å; F541-F593 HydrophobicContact CZ-CE2 3.89Å; F541-F593 AromaticContact CZ-CZ 3.64Å; F541-F593 HydrophobicContact CZ-CZ 3.64Å; L570-F593 HydrophobicContact CD1-CE1 3.88Å; L570-F593 HydrophobicContact CD1-CZ 3.82Å; T573-F593 HydrophobicContact CG2-CE2 4.46Å; T573-F593 HydrophobicContact CG2-CZ 4.45Å; T573-F593 VanDerWaalsContact OG1-CZ 3.29Å; T573-F593 WeakPolarHBondContact OG1-CZ 3.36Å; L574-F593 HydrophobicContact CD2-CD1 3.84Å; L574-F593 HydrophobicContact CD2-CE1 3.5Å; L574-F593 HydrophobicContact CG-CE1 3.79Å; A589-F593 VanDerWaalsContact O-CB 3.27Å; A589-F593 WeakPolarHBondContact O-CB 3.48Å; A589-F593 PolarHBondContact O-N 3.03Å; L590-F593 WeakPolarHBondContact O-CB 3.5Å; L590-F593 PolarHBondContact O-N 2.98Å; F593-S596 PolarHBondContact O-N 2.89Å; F593-S596 PolarHBondContact O-OG 2.91Å; F593-T597 HydrophobicContact CD1-CG2 4.24Å; F593-T597 HydrophobicContact CE1-CG2 3.94Å; F593-T597 HydrophobicContact CZ-CG2 4.19Å; F593-T597 WeakPolarHBondContact O-CB 3.06Å; F593-T597 WeakPolarHBondContact O-CG2 3.4Å; F593-T597 PolarHBondContact O-N 3.47Å; F593-T597 PolarHBondContact O-OG1 3.25Å
594V59.6Low56.3Low47 Ų4767.3 Ų67.329%0.28535%0.353SS..Hα-helixtrans-64.4-42.2178.4174.10000110.2L574 L590 T597 I598L574-V594 HydrophobicContact CD2-CG2 4.1Å; L590-V594 HydrophobicContact CD2-CG2 4.14Å; L590-V594 HydrophobicContact CG-CG2 4.16Å; L590-V594 WeakPolarHBondContact O-CB 3.19Å; L590-V594 VanDerWaalsContact O-CG2 3.24Å; L590-V594 WeakPolarHBondContact O-CG2 3.07Å; L590-V594 PolarHBondContact O-N 3.33Å; V594-T597 PolarHBondContact O-OG1 2.89Å; V594-I598 HydrophobicContact CG1-CD1 3.58Å; V594-I598 HydrophobicContact CG1-CG1 4.27Å; V594-I598 WeakPolarHBondContact O-CB 3.39Å; V594-I598 WeakPolarHBondContact O-CG1 3.38Å; V594-I598 PolarHBondContact O-N 3.17Å
595R54.8Low57.5Low111 Ų11166.1 Ų66.142%0.41934%0.341SS..Hα-helixtrans-63.3-45.7176.5-168.7173.1-174.4173.1-3.4111.1A591 M592 S599 D663A591-R595 WeakPolarHBondContact O-CB 3.14Å; A591-R595 PolarHBondContact O-N 3.16Å; M592-R595 PolarHBondContact O-N 3.24Å; R595-S599 WeakPolarHBondContact O-CB 3.46Å; R595-S599 PolarHBondContact O-N 3.29Å; R595-S599 PolarHBondContact O-OG 3.41Å; R595-D663 IonicContact CZ-OD1 2.78Å; R595-D663 IonicContact NH1-OD1 2.8Å; R595-D663 IonicContact NH2-OD1 3.29Å; R595-D663 PolarHBondContact NH2-OD1 3.15Å
596S54.3Low58.7Low50 Ų5056 Ų5635%0.3530%0.302SS..Hα-helixtrans-69.3-34.2-179.561.90000113.6M592 F593M592-S596 VanDerWaalsContact O-CB 3.26Å; M592-S596 WeakPolarHBondContact O-CB 3.48Å; M592-S596 PolarHBondContact O-N 2.99Å; M592-S596 PolarHBondContact O-OG 3.47Å; F593-S596 PolarHBondContact O-N 2.89Å; F593-S596 PolarHBondContact O-OG 2.91Å
597T56.9Low59.7Low7 Ų753.7 Ų53.74%0.04329%0.29CS..Hα-helixtrans-82.4-32.9-179.751.10000113.3F541 L570 F593 V594F541-T597 HydrophobicContact CD2-CG2 3.72Å; F541-T597 HydrophobicContact CE2-CG2 4.05Å; F541-T597 HydrophobicContact CG-CG2 4.01Å; L570-T597 HydrophobicContact CD1-CG2 3.84Å; F593-T597 HydrophobicContact CD1-CG2 4.24Å; F593-T597 HydrophobicContact CE1-CG2 3.94Å; F593-T597 HydrophobicContact CZ-CG2 4.19Å; F593-T597 WeakPolarHBondContact O-CB 3.06Å; F593-T597 WeakPolarHBondContact O-CG2 3.4Å; F593-T597 PolarHBondContact O-N 3.47Å; F593-T597 PolarHBondContact O-OG1 3.25Å; V594-T597 PolarHBondContact O-OG1 2.89Å
598I58.9Low60.8Low36 Ų3652.1 Ų52.119%0.18528%0.282CS..Hα-helixtrans-96.6-30.9-174.5-60.6-174000113.1V594 E600 V669 L673V594-I598 HydrophobicContact CG1-CD1 3.58Å; V594-I598 HydrophobicContact CG1-CG1 4.27Å; V594-I598 WeakPolarHBondContact O-CB 3.39Å; V594-I598 WeakPolarHBondContact O-CG1 3.38Å; V594-I598 PolarHBondContact O-N 3.17Å; I598-E600 PolarHBondContact O-N 3.01Å; I598-V669 HydrophobicContact CB-CG1 4.48Å; I598-V669 HydrophobicContact CG2-CG1 3.4Å; I598-V669 VanDerWaalsContact CG2-CG1 3.4Å; I598-L673 HydrophobicContact CD1-CD1 4.33Å; I598-L673 HydrophobicContact CG2-CD1 3.25Å; I598-L673 HydrophobicContact CG2-CG 4.12Å
599S55.3Low62Low65 Ų6550 Ų5046%0.45527%0.269SS..SBendtrans-77.6-19.8-173.170.20000114.5R595R595-S599 WeakPolarHBondContact O-CB 3.46Å; R595-S599 PolarHBondContact O-N 3.29Å; R595-S599 PolarHBondContact O-OG 3.41Å
600E56.1Low63.3Low72 Ų7249.1 Ų49.134%0.33626%0.261SS..SBendtrans-86.4128-179.8-69.3-166.717600112.1R546 I598 E602R546-E600 IonicContact CZ-OE2 3.87Å; R546-E600 IonicContact NE-OE2 3.02Å; R546-E600 IonicContact NH2-OE1 3.55Å; R546-E600 IonicContact NH2-OE2 3.78Å; R546-E600 PolarHBondContact NH2-OE2 2.9Å; I598-E600 PolarHBondContact O-N 3.01Å; E600-E602 PolarHBondContact O-N 3.02Å
601T54.3Low64.4Low83 Ų8347.3 Ų47.351%0.50925%0.251SS..THydrogen-bonded Turntrans-55.8-16.8-173.345.60000115.6Y672 K676T601-Y672 WeakPolarHBondContact CG2-OH 3.46Å; T601-K676 PolarHBondContact O-NZ 3.1Å
602E65.6Low65.6Low61 Ų6149.5 Ų49.529%0.28525%0.251SS..Hα-helixtrans-85.2-34.1-167.6-61.1-171176.600113.8R546 E600 F604 S605 I606R546-E602 WeakPolarHBondContact CD-OE2 3.42Å; R546-E602 WeakPolarHBondContact CG-OE2 3.18Å; R546-E602 IonicContact CZ-OE2 2.73Å; R546-E602 IonicContact NE-OE2 2.99Å; R546-E602 PolarHBondContact NE-OE2 3.09Å; E600-E602 PolarHBondContact O-N 3.02Å; E602-F604 PolarHBondContact O-N 3.46Å; E602-S605 WeakPolarHBondContact CA-OG 3.33Å; E602-S605 WeakPolarHBondContact O-CB 3.36Å; E602-S605 PolarHBondContact O-N 3.38Å; E602-S605 PolarHBondContact O-OG 3.09Å; E602-I606 HydrophobicContact CB-CD1 4.46Å; E602-I606 WeakPolarHBondContact O-CD1 3.5Å; E602-I606 WeakPolarHBondContact O-CG1 3.42Å; E602-I606 PolarHBondContact O-N 2.86Å
603L69.1Low66.6Low30 Ų3046.1 Ų46.116%0.15724%0.241CC..Hα-helixtrans-59.7-47.8-175.8-179.8139.4000112.2L545 L570 S605 I606 I607L545-L603 HydrophobicContact CD2-CB 3.88Å; L545-L603 HydrophobicContact CD2-CD1 3.7Å; L545-L603 HydrophobicContact CD2-CG 3.99Å; L570-L603 HydrophobicContact CD2-CD1 3.65Å; L603-S605 VanDerWaalsContact C-N 3.31Å; L603-S605 PolarHBondContact O-N 2.91Å; L603-I606 PolarHBondContact O-N 3.26Å; L603-I607 HydrophobicContact CD2-CD1 3.52Å; L603-I607 HydrophobicContact CG-CD1 4.14Å; L603-I607 WeakPolarHBondContact O-CG1 3.41Å; L603-I607 PolarHBondContact O-N 2.79Å
604F70Confident67.3Low28 Ų2846.2 Ų46.212%0.12324%0.241CC..Hα-helixtrans-62.6-39.4175.7-177.9-93.1000111.9E602 I606 I607 F608 K676 L677 F682E602-F604 PolarHBondContact O-N 3.46Å; F604-I606 VanDerWaalsContact C-N 3.29Å; F604-I606 PolarHBondContact O-N 3.19Å; F604-I607 PolarHBondContact O-N 3.29Å; F604-F608 HydrophobicContact CD1-CB 4.49Å; F604-F608 HydrophobicContact CE1-CB 4.15Å; F604-F608 HydrophobicContact CZ-CB 4.46Å; F604-F608 VanDerWaalsContact O-CB 3.23Å; F604-F608 WeakPolarHBondContact O-CB 3.37Å; F604-F608 PolarHBondContact O-N 3.01Å; F604-K676 HydrophobicContact CB-CD 4.13Å; F604-K676 HydrophobicContact CD1-CB 3.87Å; F604-K676 HydrophobicContact CD1-CD 3.75Å; F604-K676 HydrophobicContact CD1-CG 4.15Å; F604-K676 HydrophobicContact CD2-CB 4.18Å; F604-K676 HydrophobicContact CE1-CB 3.77Å; F604-K676 HydrophobicContact CE1-CD 4.4Å; F604-K676 HydrophobicContact CE1-CG 4.32Å; F604-K676 HydrophobicContact CE2-CB 4.09Å; F604-K676 HydrophobicContact CG-CB 4.08Å; F604-K676 HydrophobicContact CG-CD 3.94Å; F604-K676 HydrophobicContact CZ-CB 3.9Å; F604-K676 WeakPolarHBondContact CZ-O 3.38Å; F604-L677 HydrophobicContact CD2-CD2 4.37Å; F604-L677 HydrophobicContact CE2-CD2 3.7Å; F604-L677 HydrophobicContact CE2-CG 3.96Å; F604-F682 HydrophobicContact CE2-CD2 4.39Å; F604-F682 HydrophobicContact CE2-CE2 4.46Å; F604-F682 HydrophobicContact CZ-CD2 4.17Å; F604-F682 HydrophobicContact CZ-CG 4.38Å
605S73.4Confident67.9Low46 Ų4644.2 Ų44.232%0.32223%0.23SC..Hα-helixtrans-63.9-35.9-179.775.30000112.3E602 L603 Y609E602-S605 WeakPolarHBondContact CA-OG 3.33Å; E602-S605 WeakPolarHBondContact O-CB 3.36Å; E602-S605 PolarHBondContact O-N 3.38Å; E602-S605 PolarHBondContact O-OG 3.09Å; L603-S605 VanDerWaalsContact C-N 3.31Å; L603-S605 PolarHBondContact O-N 2.91Å; S605-Y609 VanDerWaalsContact O-CB 3.25Å; S605-Y609 WeakPolarHBondContact O-CB 3.44Å; S605-Y609 PolarHBondContact O-N 2.9Å
606I73.3Confident68.8Low4 Ų440.9 Ų40.92%0.02123%0.226CC..Hα-helixtrans-73.7-46.3177.6-65.2158.2000110.3L545 I548 M567 E602 L603 F604 F608 Y609 L610L545-I606 HydrophobicContact CD2-CD1 4.44Å; L545-I606 HydrophobicContact CG-CD1 3.97Å; L545-I606 WeakPolarHBondContact O-CD1 3.49Å; I548-I606 HydrophobicContact CB-CG2 4.13Å; I548-I606 HydrophobicContact CG2-CG2 4.36Å; M567-I606 HydrophobicContact CE-CG2 4.44Å; E602-I606 HydrophobicContact CB-CD1 4.46Å; E602-I606 WeakPolarHBondContact O-CD1 3.5Å; E602-I606 WeakPolarHBondContact O-CG1 3.42Å; E602-I606 PolarHBondContact O-N 2.86Å; L603-I606 PolarHBondContact O-N 3.26Å; F604-I606 VanDerWaalsContact C-N 3.29Å; F604-I606 PolarHBondContact O-N 3.19Å; I606-F608 VanDerWaalsContact C-N 3.29Å; I606-F608 PolarHBondContact O-N 3.46Å; I606-Y609 PolarHBondContact O-N 2.86Å; I606-L610 HydrophobicContact CG2-CD1 4.06Å; I606-L610 WeakPolarHBondContact O-CG 3.11Å; I606-L610 PolarHBondContact O-N 3.19Å
607I76.2Confident69.4Low6 Ų638.9 Ų38.93%0.03121%0.213CC..Hα-helixtrans-55.3-47.9174.5-74.7174.1000110.6M567 L603 F604 L610 L611 I637 L640 V641M567-I607 HydrophobicContact CE-CD1 4.48Å; M567-I607 HydrophobicContact CE-CG1 3.71Å; M567-I607 HydrophobicContact SD-CG1 4.36Å; L603-I607 HydrophobicContact CD2-CD1 3.52Å; L603-I607 HydrophobicContact CG-CD1 4.14Å; L603-I607 WeakPolarHBondContact O-CG1 3.41Å; L603-I607 PolarHBondContact O-N 2.79Å; F604-I607 PolarHBondContact O-N 3.29Å; I607-L610 PolarHBondContact O-N 3.14Å; I607-L611 HydrophobicContact CG2-CD1 3.92Å; I607-L611 WeakPolarHBondContact O-CG 3.48Å; I607-L611 PolarHBondContact O-N 3.32Å; I607-I637 HydrophobicContact CB-CG2 4.42Å; I607-I637 HydrophobicContact CG1-CG2 4.36Å; I607-I637 HydrophobicContact CG2-CG2 3.58Å; I607-L640 HydrophobicContact CD1-CD2 4.12Å; I607-V641 HydrophobicContact CG2-CG2 4.28Å
608F76.6Confident69.9Low36 Ų3639.3 Ų39.316%0.15822%0.215CC..Hα-helixtrans-66.4-41.6179.5175.1-120.3000112.3F604 I606 L610 L611 K612 D681 F682F604-F608 HydrophobicContact CD1-CB 4.49Å; F604-F608 HydrophobicContact CE1-CB 4.15Å; F604-F608 HydrophobicContact CZ-CB 4.46Å; F604-F608 VanDerWaalsContact O-CB 3.23Å; F604-F608 WeakPolarHBondContact O-CB 3.37Å; F604-F608 PolarHBondContact O-N 3.01Å; I606-F608 VanDerWaalsContact C-N 3.29Å; I606-F608 PolarHBondContact O-N 3.46Å; F608-L610 PolarHBondContact O-N 3.45Å; F608-L611 PolarHBondContact O-N 2.9Å; F608-K612 HydrophobicContact CE1-CD 4.32Å; F608-K612 HydrophobicContact CE2-CB 4.47Å; F608-K612 HydrophobicContact CE2-CD 4.41Å; F608-K612 HydrophobicContact CZ-CD 3.87Å; F608-K612 WeakPolarHBondContact O-CB 3.43Å; F608-K612 PolarHBondContact O-N 3.27Å; F608-D681 HydrophobicContact CE1-CB 4.49Å; F608-D681 HydrophobicContact CE2-CB 3.66Å; F608-D681 HydrophobicContact CZ-CB 3.31Å; F608-F682 HydrophobicContact CD2-CB 3.94Å; F608-F682 AromaticContact CD2-CD2 3.95Å; F608-F682 HydrophobicContact CD2-CD2 3.95Å; F608-F682 HydrophobicContact CD2-CG 4.46Å; F608-F682 HydrophobicContact CE2-CB 4.02Å
609Y77.3Confident70.2Confident100 Ų10043.4 Ų43.439%0.39223%0.234SC..Hα-helixtrans-58.3-47.6174.8173.3-99.4000112S605 I606 K612 S613S605-Y609 VanDerWaalsContact O-CB 3.25Å; S605-Y609 WeakPolarHBondContact O-CB 3.44Å; S605-Y609 PolarHBondContact O-N 2.9Å; I606-Y609 PolarHBondContact O-N 2.86Å; Y609-K612 PolarHBondContact O-N 3.07Å; Y609-S613 WeakPolarHBondContact O-CB 3.37Å; Y609-S613 PolarHBondContact O-N 2.95Å; Y609-S613 PolarHBondContact O-OG 3.23Å
610L76.2Confident70.6Confident9 Ų946.2 Ų46.25%0.04724%0.243CC..Hα-helixtrans-63.9-47.1179.5-68.9171.1000111.6I548 M559 M567 I606 I607 F608 K612 S613 F614 M633 I637I548-L610 HydrophobicContact CG2-CD1 4.05Å; I548-L610 HydrophobicContact CG2-CD2 4.12Å; M559-L610 HydrophobicContact SD-CD2 4.43Å; M567-L610 HydrophobicContact CE-CD1 4.48Å; I606-L610 HydrophobicContact CG2-CD1 4.06Å; I606-L610 WeakPolarHBondContact O-CG 3.11Å; I606-L610 PolarHBondContact O-N 3.19Å; I607-L610 PolarHBondContact O-N 3.14Å; F608-L610 PolarHBondContact O-N 3.45Å; L610-K612 PolarHBondContact O-N 3.4Å; L610-S613 PolarHBondContact O-N 3.09Å; L610-S613 PolarHBondContact O-OG 3.37Å; L610-F614 PolarHBondContact O-N 3.45Å; L610-M633 HydrophobicContact CD1-CE 4.18Å; L610-M633 HydrophobicContact CD1-SD 4.05Å; L610-M633 HydrophobicContact CD2-CE 4.41Å; L610-M633 HydrophobicContact CD2-SD 3.97Å; L610-M633 HydrophobicContact CG-SD 4.47Å; L610-I637 HydrophobicContact CB-CD1 4Å; L610-I637 HydrophobicContact CD1-CD1 3.78Å
611L78.5Confident70.6Confident2 Ų245.6 Ų45.61%0.0126%0.256CS..Hα-helixtrans-62.8-41.3177.6-73.2170.6000112.4I607 F608 F614 A615 V634 I637 L638 F682I607-L611 HydrophobicContact CG2-CD1 3.92Å; I607-L611 WeakPolarHBondContact O-CG 3.48Å; I607-L611 PolarHBondContact O-N 3.32Å; F608-L611 PolarHBondContact O-N 2.9Å; L611-F614 PolarHBondContact O-N 3.16Å; L611-A615 WeakPolarHBondContact O-CB 3.33Å; L611-A615 PolarHBondContact O-N 2.73Å; L611-V634 HydrophobicContact CD2-CG1 3.93Å; L611-I637 HydrophobicContact CD1-CG2 3.89Å; L611-I637 HydrophobicContact CD2-CG2 4.18Å; L611-I637 HydrophobicContact CG-CG2 4.01Å; L611-L638 HydrophobicContact CD2-CD2 4.25Å; L611-L638 HydrophobicContact CD2-CG 4.41Å; L611-F682 HydrophobicContact CD1-CD2 4.35Å; L611-F682 HydrophobicContact CD1-CE2 3.61Å; L611-F682 HydrophobicContact CD1-CZ 4.4Å
612K78.4Confident70.7Confident96 Ų9645.8 Ų45.842%0.41725%0.253SS..Hα-helixtrans-65.1-40177-174.7170.3-176.3166.20112F608 Y609 L610 F614 A616 D681F608-K612 HydrophobicContact CE1-CD 4.32Å; F608-K612 HydrophobicContact CE2-CB 4.47Å; F608-K612 HydrophobicContact CE2-CD 4.41Å; F608-K612 HydrophobicContact CZ-CD 3.87Å; F608-K612 WeakPolarHBondContact O-CB 3.43Å; F608-K612 PolarHBondContact O-N 3.27Å; Y609-K612 PolarHBondContact O-N 3.07Å; L610-K612 PolarHBondContact O-N 3.4Å; K612-F614 VanDerWaalsContact C-N 3.32Å; K612-F614 PolarHBondContact O-N 3.01Å; K612-A616 WeakPolarHBondContact O-CB 3.21Å; K612-A616 PolarHBondContact O-N 2.8Å; K612-D681 IonicContact NZ-OD2 3.76Å; K612-D681 PolarHBondContact NZ-OD2 3.36Å
613S73.7Confident70Confident63 Ų6350.6 Ų50.644%0.44128%0.276SS..Hα-helixtrans-63.8-38.3175.772.90000112.2Y609 L610 G617Y609-S613 WeakPolarHBondContact O-CB 3.37Å; Y609-S613 PolarHBondContact O-N 2.95Å; Y609-S613 PolarHBondContact O-OG 3.23Å; L610-S613 PolarHBondContact O-N 3.09Å; L610-S613 PolarHBondContact O-OG 3.37Å; S613-G617 PolarHBondContact O-N 3.15Å
614F74.8Confident69.2Low18 Ų1851.9 Ų51.98%0.07928%0.28CS..Hα-helixtrans-71.1-45.2177.2-176.9-101.1000112.4L610 L611 K612 A616 G617 L618 L631 V634 L689L610-F614 PolarHBondContact O-N 3.45Å; L611-F614 PolarHBondContact O-N 3.16Å; K612-F614 VanDerWaalsContact C-N 3.32Å; K612-F614 PolarHBondContact O-N 3.01Å; F614-A616 VanDerWaalsContact C-N 3.33Å; F614-A616 PolarHBondContact O-N 2.97Å; F614-G617 WeakPolarHBondContact O-CA 3.43Å; F614-G617 PolarHBondContact O-N 3.39Å; F614-L618 HydrophobicContact CD1-CD1 3.92Å; F614-L618 HydrophobicContact CD1-CG 4.43Å; F614-L618 HydrophobicContact CE1-CD1 3.49Å; F614-L618 VanDerWaalsContact CE1-CD1 3.49Å; F614-L618 HydrophobicContact CE1-CG 4.1Å; F614-L618 HydrophobicContact CZ-CD1 4.14Å; F614-L618 HydrophobicContact CZ-CD2 4.44Å; F614-L618 HydrophobicContact CZ-CG 4.35Å; F614-L618 PolarHBondContact O-N 3.48Å; F614-L631 HydrophobicContact CZ-CD1 4.32Å; F614-V634 HydrophobicContact CB-CG2 3.85Å; F614-V634 HydrophobicContact CD1-CB 4.45Å; F614-V634 HydrophobicContact CD1-CG1 4.05Å; F614-V634 HydrophobicContact CD1-CG2 3.79Å; F614-V634 HydrophobicContact CD2-CG2 3.68Å; F614-V634 HydrophobicContact CE1-CB 4.49Å; F614-V634 HydrophobicContact CE1-CG1 4.06Å; F614-V634 HydrophobicContact CE1-CG2 4.2Å; F614-V634 HydrophobicContact CE2-CG2 4.12Å; F614-V634 HydrophobicContact CG-CG2 3.5Å; F614-V634 VanDerWaalsContact CG-CG2 3.5Å; F614-V634 HydrophobicContact CZ-CG2 4.36Å; F614-L689 HydrophobicContact CD1-CD2 3.72Å; F614-L689 HydrophobicContact CE1-CD2 3.53Å
615A72.1Confident68.1Low5 Ų555.3 Ų55.34%0.04131%0.307CS..Hα-helixtrans-58.2-44.417500000111.7L611 G617 L618 E619 C685 T688L611-A615 WeakPolarHBondContact O-CB 3.33Å; L611-A615 PolarHBondContact O-N 2.73Å; A615-G617 VanDerWaalsContact C-N 3.29Å; A615-G617 PolarHBondContact O-N 3.45Å; A615-L618 PolarHBondContact O-N 3.26Å; A615-E619 PolarHBondContact O-N 3.2Å; A615-E619 VanDerWaalsContact O-N 3.09Å; A615-C685 HydrophobicContact CB-CB 4.31Å; A615-T688 WeakPolarHBondContact CB-OG1 3.49Å
616A73Confident66.9Low41 Ų4156.8 Ų56.834%0.33932%0.322SS..Hα-helixtrans-64.4-31.8174.100000112.8K612 F614 N620K612-A616 WeakPolarHBondContact O-CB 3.21Å; K612-A616 PolarHBondContact O-N 2.8Å; F614-A616 VanDerWaalsContact C-N 3.33Å; F614-A616 PolarHBondContact O-N 2.97Å; A616-N620 PolarHBondContact O-N 3.3Å; A616-N620 PolarHBondContact O-ND2 2.71Å
617G68.2Low66.3Low8 Ų859.3 Ų59.38%0.08234%0.336CS..Hα-helixtrans-65-42.6173.900000112.9S613 F614 A615 N620S613-G617 PolarHBondContact O-N 3.15Å; F614-G617 WeakPolarHBondContact O-CA 3.43Å; F614-G617 PolarHBondContact O-N 3.39Å; A615-G617 VanDerWaalsContact C-N 3.29Å; A615-G617 PolarHBondContact O-N 3.45Å; G617-N620 PolarHBondContact O-N 3.21Å
618L67.9Low65.9Low16 Ų1667.2 Ų67.28%0.08437%0.37CS..Hα-helixtrans-64.9-44176.2-71.2172.4000112.1F614 A615 N620 G621 L689 Y692F614-L618 HydrophobicContact CD1-CD1 3.92Å; F614-L618 HydrophobicContact CD1-CG 4.43Å; F614-L618 HydrophobicContact CE1-CD1 3.49Å; F614-L618 VanDerWaalsContact CE1-CD1 3.49Å; F614-L618 HydrophobicContact CE1-CG 4.1Å; F614-L618 HydrophobicContact CZ-CD1 4.14Å; F614-L618 HydrophobicContact CZ-CD2 4.44Å; F614-L618 HydrophobicContact CZ-CG 4.35Å; F614-L618 PolarHBondContact O-N 3.48Å; A615-L618 PolarHBondContact O-N 3.26Å; L618-N620 PolarHBondContact O-N 2.58Å; L618-G621 PolarHBondContact O-N 2.96Å; L618-G621 VanDerWaalsContact O-N 3.09Å; L618-L689 HydrophobicContact CD1-CD2 4.06Å; L618-Y692 HydrophobicContact CB-CD2 4.26Å; L618-Y692 HydrophobicContact CB-CE1 4.47Å; L618-Y692 HydrophobicContact CB-CE2 3.81Å; L618-Y692 HydrophobicContact CD1-CD2 4.07Å; L618-Y692 HydrophobicContact CD1-CE2 4.42Å; L618-Y692 HydrophobicContact CD1-CG 4.47Å; L618-Y692 HydrophobicContact CD2-CD1 4.48Å; L618-Y692 PolarHBondContact O-OH 3.47Å
619E65.2Low65.4Low123 Ų12367.2 Ų67.258%0.57538%0.377SS*.Hα-helixtrans-60.7-31178.4-74-179.6174.700112.9A615 G621A615-E619 PolarHBondContact O-N 3.2Å; A615-E619 VanDerWaalsContact O-N 3.09Å; E619-G621 PolarHBondContact O-N 3.27Å
620N63.8Low65.2Low124 Ų12463.1 Ų63.166%0.66336%0.362SS*.THydrogen-bonded Turntrans-79.74.8179.1-72.5-45.4000113.9A616 G617 L618 I622A616-N620 PolarHBondContact O-N 3.3Å; A616-N620 PolarHBondContact O-ND2 2.71Å; G617-N620 PolarHBondContact O-N 3.21Å; L618-N620 PolarHBondContact O-N 2.58Å; N620-I622 HydrophobicContact CB-CD1 4.34Å; N620-I622 HydrophobicContact CB-CG1 4.19Å; N620-I622 PolarHBondContact O-N 3.04Å
621G54.9Low65.1Low59 Ų5964.8 Ų64.861%0.60837%0.371SS*.THydrogen-bonded Turntrans65.921178.700000113.5L618 E619 E623L618-G621 PolarHBondContact O-N 2.96Å; L618-G621 VanDerWaalsContact O-N 3.09Å; E619-G621 PolarHBondContact O-N 3.27Å; G621-E623 PolarHBondContact O-N 3.02Å; G621-E623 VanDerWaalsContact O-N 3.09Å
622I56Low65Low87 Ų8769 Ų6945%0.44639%0.389SS..  trans-69.7108.6171.9-57173.1000105.7N620 F624N620-I622 HydrophobicContact CB-CD1 4.34Å; N620-I622 HydrophobicContact CB-CG1 4.19Å; N620-I622 PolarHBondContact O-N 3.04Å; I622-F624 HydrophobicContact CB-CD2 3.84Å; I622-F624 HydrophobicContact CB-CE2 3.68Å; I622-F624 HydrophobicContact CB-CZ 4.47Å; I622-F624 HydrophobicContact CD1-CE2 4.09Å; I622-F624 HydrophobicContact CD1-CZ 4.48Å; I622-F624 HydrophobicContact CG1-CE2 4.48Å; I622-F624 HydrophobicContact CG2-CD1 4.46Å; I622-F624 HydrophobicContact CG2-CD2 3.66Å; I622-F624 HydrophobicContact CG2-CE1 4.33Å; I622-F624 HydrophobicContact CG2-CE2 3.48Å; I622-F624 VanDerWaalsContact CG2-CE2 3.48Å; I622-F624 HydrophobicContact CG2-CG 4.17Å; I622-F624 HydrophobicContact CG2-CZ 3.86Å; I622-F624 WeakPolarHBondContact O-CD2 3.26Å; I622-F624 PolarHBondContact O-N 2.9Å
623E51.2Low65Low162 Ų16264.9 Ų64.976%0.75737%0.371SS*.  trans-62.280.4172.4-72.7-178.3-177.300108.9G621 S625G621-E623 PolarHBondContact O-N 3.02Å; G621-E623 VanDerWaalsContact O-N 3.09Å; E623-S625 PolarHBondContact O-N 2.99Å
624F52.1Low65.5Low57 Ų5762 Ų6225%0.2535%0.351CS..THydrogen-bonded Turntrans-70.121.5172.9-84.4-72.1000112.4I622 A626 D627I622-F624 HydrophobicContact CB-CD2 3.84Å; I622-F624 HydrophobicContact CB-CE2 3.68Å; I622-F624 HydrophobicContact CB-CZ 4.47Å; I622-F624 HydrophobicContact CD1-CE2 4.09Å; I622-F624 HydrophobicContact CD1-CZ 4.48Å; I622-F624 HydrophobicContact CG1-CE2 4.48Å; I622-F624 HydrophobicContact CG2-CD1 4.46Å; I622-F624 HydrophobicContact CG2-CD2 3.66Å; I622-F624 HydrophobicContact CG2-CE1 4.33Å; I622-F624 HydrophobicContact CG2-CE2 3.48Å; I622-F624 VanDerWaalsContact CG2-CE2 3.48Å; I622-F624 HydrophobicContact CG2-CG 4.17Å; I622-F624 HydrophobicContact CG2-CZ 3.86Å; I622-F624 WeakPolarHBondContact O-CD2 3.26Å; I622-F624 PolarHBondContact O-N 2.9Å; F624-A626 PolarHBondContact O-N 3.17Å; F624-D627 HydrophobicContact CD1-CB 4Å; F624-D627 PolarHBondContact O-N 3.43Å
625S48Very low65.8Low99 Ų9962 Ų6269%0.69235%0.352SS*.THydrogen-bonded Turntrans-59.1-11.8173.870.40000113.1E623E623-S625 PolarHBondContact O-N 2.99Å
626A47.8Very low66.3Low77 Ų7762.3 Ų62.364%0.63635%0.354SS*.SBendtrans-106.1-27.7-179.100000116.1F624 K628F624-A626 PolarHBondContact O-N 3.17Å; A626-K628 PolarHBondContact O-N 3.32Å
627D61.3Low66.8Low57 Ų5760.4 Ų60.431%0.30534%0.338SS..  trans-87.474.8-176.4-76.5-12000112F624 A629 T630 L631F624-D627 HydrophobicContact CD1-CB 4Å; F624-D627 PolarHBondContact O-N 3.43Å; D627-A629 PolarHBondContact O-N 3.48Å; D627-T630 HydrophobicContact CB-CG2 4.11Å; D627-T630 WeakPolarHBondContact CB-OG1 3.32Å; D627-T630 PolarHBondContact O-N 3.16Å; D627-T630 PolarHBondContact O-OG1 3.28Å; D627-L631 PolarHBondContact O-N 3.49Å
628K66.9Low67.5Low173 Ų17360 Ų6075%0.75233%0.334SS*.Hα-helixtrans-49.1-28.1174.1-68.3-179.7-179.9177.70113.1A626 K632A626-K628 PolarHBondContact O-N 3.32Å; K628-K632 WeakPolarHBondContact O-CB 3.48Å; K628-K632 PolarHBondContact O-N 3.29Å
629A67.1Low68.3Low35 Ų3560.7 Ų60.729%0.28934%0.337SS..Hα-helixtrans-70.8-43.5179.800000113.2V560 D627 K632 M633V560-A629 HydrophobicContact CG1-CB 3.7Å; V560-A629 VanDerWaalsContact CG1-O 3.3Å; V560-A629 WeakPolarHBondContact CG1-O 3.47Å; D627-A629 PolarHBondContact O-N 3.48Å; A629-K632 PolarHBondContact O-N 3.01Å; A629-M633 PolarHBondContact O-N 3.33Å
630T71.8Confident68.9Low15 Ų1555.1 Ų55.19%0.09231%0.31CS..Hα-helixtrans-69.2-43.6-178.954.70000110.3V560 D627 K632 M633 V634V560-T630 HydrophobicContact CB-CG2 4.38Å; V560-T630 HydrophobicContact CG1-CG2 3.79Å; V560-T630 HydrophobicContact CG2-CG2 3.75Å; D627-T630 HydrophobicContact CB-CG2 4.11Å; D627-T630 WeakPolarHBondContact CB-OG1 3.32Å; D627-T630 PolarHBondContact O-N 3.16Å; D627-T630 PolarHBondContact O-OG1 3.28Å; T630-K632 VanDerWaalsContact C-N 3.32Å; T630-K632 PolarHBondContact O-N 3.24Å; T630-M633 WeakPolarHBondContact O-CB 3.38Å; T630-M633 PolarHBondContact O-N 3.32Å; T630-V634 WeakPolarHBondContact O-CG2 3.3Å; T630-V634 PolarHBondContact O-N 3.1Å
631L74.9Confident69.6Low43 Ų4349.7 Ų49.723%0.22528%0.282CS..Hα-helixtrans-60.8-41.3174-173.170.2000111.5F614 D627 V634 T635 Q696 P699F614-L631 HydrophobicContact CZ-CD1 4.32Å; D627-L631 PolarHBondContact O-N 3.49Å; L631-V634 PolarHBondContact O-N 2.95Å; L631-T635 VanDerWaalsContact O-CB 3.29Å; L631-T635 WeakPolarHBondContact O-CB 3.33Å; L631-T635 PolarHBondContact O-N 3.45Å; L631-T635 PolarHBondContact O-OG1 3.2Å; L631-Q696 HydrophobicContact CD1-CG 4.24Å; L631-Q696 VanDerWaalsContact CD2-OE1 3.31Å; L631-P699 HydrophobicContact CD1-CG 3.9Å
632K76.6Confident70.6Confident92 Ų9246.9 Ų46.940%0.425%0.253SS..Hα-helixtrans-61.2-46.9175-172.3-174.3178.9-1570110.9E568 K628 A629 T630 T635 V636E568-K632 VanDerWaalsContact OE2-CE 3.28Å; E568-K632 WeakPolarHBondContact OE2-CE 3.43Å; E568-K632 IonicContact OE2-NZ 3.96Å; E568-K632 PolarHBondContact OE2-NZ 3.33Å; K628-K632 WeakPolarHBondContact O-CB 3.48Å; K628-K632 PolarHBondContact O-N 3.29Å; A629-K632 PolarHBondContact O-N 3.01Å; T630-K632 VanDerWaalsContact C-N 3.32Å; T630-K632 PolarHBondContact O-N 3.24Å; K632-T635 PolarHBondContact O-N 3.37Å; K632-V636 HydrophobicContact CG-CG2 4.47Å; K632-V636 VanDerWaalsContact O-CG2 3.24Å; K632-V636 WeakPolarHBondContact O-CG2 3.33Å; K632-V636 PolarHBondContact O-N 3.14Å
633M78.8Confident71.4Confident8 Ų843.8 Ų43.84%0.03924%0.236CC..Hα-helixtrans-57.6-52.2176.9171.3-175.4-9800111.7V560 G563 L610 A629 T630 T635 V636 I637V560-M633 HydrophobicContact CB-CE 4.49Å; V560-M633 HydrophobicContact CG1-CB 4.23Å; V560-M633 HydrophobicContact CG1-SD 4.29Å; V560-M633 VanDerWaalsContact O-CE 3.28Å; V560-M633 WeakPolarHBondContact O-CE 3.21Å; G563-M633 VanDerWaalsContact C-CE 3.47Å; L610-M633 HydrophobicContact CD1-CE 4.18Å; L610-M633 HydrophobicContact CD1-SD 4.05Å; L610-M633 HydrophobicContact CD2-CE 4.41Å; L610-M633 HydrophobicContact CD2-SD 3.97Å; L610-M633 HydrophobicContact CG-SD 4.47Å; A629-M633 PolarHBondContact O-N 3.33Å; T630-M633 WeakPolarHBondContact O-CB 3.38Å; T630-M633 PolarHBondContact O-N 3.32Å; M633-T635 VanDerWaalsContact C-N 3.32Å; M633-T635 PolarHBondContact O-N 3.41Å; M633-V636 PolarHBondContact O-N 3.5Å; M633-I637 HydrophobicContact CG-CD1 3.75Å; M633-I637 HydrophobicContact CG-CG1 4.5Å; M633-I637 VanDerWaalsContact O-CG1 3.28Å; M633-I637 WeakPolarHBondContact O-CG1 3.49Å; M633-I637 PolarHBondContact O-N 3.17Å
634V82.4Confident72.3Confident4 Ų437.4 Ų37.42%0.02421%0.208CC..Hα-helixtrans-60.8-42.8179.9171.30000111.2L611 F614 T630 L631 V636 I637 L638L611-V634 HydrophobicContact CD2-CG1 3.93Å; F614-V634 HydrophobicContact CB-CG2 3.85Å; F614-V634 HydrophobicContact CD1-CB 4.45Å; F614-V634 HydrophobicContact CD1-CG1 4.05Å; F614-V634 HydrophobicContact CD1-CG2 3.79Å; F614-V634 HydrophobicContact CD2-CG2 3.68Å; F614-V634 HydrophobicContact CE1-CB 4.49Å; F614-V634 HydrophobicContact CE1-CG1 4.06Å; F614-V634 HydrophobicContact CE1-CG2 4.2Å; F614-V634 HydrophobicContact CE2-CG2 4.12Å; F614-V634 HydrophobicContact CG-CG2 3.5Å; F614-V634 VanDerWaalsContact CG-CG2 3.5Å; F614-V634 HydrophobicContact CZ-CG2 4.36Å; T630-V634 WeakPolarHBondContact O-CG2 3.3Å; T630-V634 PolarHBondContact O-N 3.1Å; L631-V634 PolarHBondContact O-N 2.95Å; V634-V636 PolarHBondContact O-N 2.98Å; V634-I637 PolarHBondContact O-N 3.02Å; V634-L638 HydrophobicContact CG1-CD1 3.97Å; V634-L638 HydrophobicContact CG1-CG 4.41Å; V634-L638 WeakPolarHBondContact O-CG 3.13Å; V634-L638 PolarHBondContact O-N 2.74Å
635T82.2Confident73.1Confident16 Ų1635.4 Ų35.410%0.09820%0.199CC..Hα-helixtrans-60.7-46.2177-58.30000111.1L631 K632 M633 I637 L638 K639 L698 L702L631-T635 VanDerWaalsContact O-CB 3.29Å; L631-T635 WeakPolarHBondContact O-CB 3.33Å; L631-T635 PolarHBondContact O-N 3.45Å; L631-T635 PolarHBondContact O-OG1 3.2Å; K632-T635 PolarHBondContact O-N 3.37Å; M633-T635 VanDerWaalsContact C-N 3.32Å; M633-T635 PolarHBondContact O-N 3.41Å; T635-I637 VanDerWaalsContact C-N 3.35Å; T635-I637 PolarHBondContact O-N 3.06Å; T635-L638 PolarHBondContact O-N 3.21Å; T635-K639 HydrophobicContact CG2-CD 4.39Å; T635-K639 HydrophobicContact CG2-CG 4.5Å; T635-K639 WeakPolarHBondContact O-CB 3.48Å; T635-K639 VanDerWaalsContact O-CG 3.26Å; T635-K639 WeakPolarHBondContact O-CG 3.31Å; T635-K639 PolarHBondContact O-N 2.71Å; T635-L698 HydrophobicContact CG2-CD2 3.71Å; T635-L698 HydrophobicContact CG2-CG 4.21Å; T635-L702 HydrophobicContact CG2-CD1 4.07Å
636V81.8Confident73.9Confident13 Ų1333.3 Ų33.38%0.07918%0.179CC..Hα-helixtrans-64.7-39.7178.5174.20000111.4M567 E568 K632 M633 V634 K639 L640M567-V636 VanDerWaalsContact C-CG1 3.46Å; M567-V636 HydrophobicContact CB-CG1 3.7Å; E568-V636 HydrophobicContact CB-CG1 4.17Å; K632-V636 HydrophobicContact CG-CG2 4.47Å; K632-V636 VanDerWaalsContact O-CG2 3.24Å; K632-V636 WeakPolarHBondContact O-CG2 3.33Å; K632-V636 PolarHBondContact O-N 3.14Å; M633-V636 PolarHBondContact O-N 3.5Å; V634-V636 PolarHBondContact O-N 2.98Å; V636-K639 PolarHBondContact O-N 3.34Å; V636-L640 WeakPolarHBondContact O-CB 3.32Å; V636-L640 PolarHBondContact O-N 3.45Å
637I83.4Confident74.6Confident0 Ų031.8 Ų31.80%016%0.16CC..Hα-helixtrans-60.6-48174.8-70.9168.2000110.8M567 I607 L610 L611 M633 V634 T635 K639 L640 V641M567-I637 HydrophobicContact CB-CG1 4.47Å; M567-I637 HydrophobicContact CG-CG1 3.96Å; M567-I637 HydrophobicContact SD-CG1 4.4Å; I607-I637 HydrophobicContact CB-CG2 4.42Å; I607-I637 HydrophobicContact CG1-CG2 4.36Å; I607-I637 HydrophobicContact CG2-CG2 3.58Å; L610-I637 HydrophobicContact CB-CD1 4Å; L610-I637 HydrophobicContact CD1-CD1 3.78Å; L611-I637 HydrophobicContact CD1-CG2 3.89Å; L611-I637 HydrophobicContact CD2-CG2 4.18Å; L611-I637 HydrophobicContact CG-CG2 4.01Å; M633-I637 HydrophobicContact CG-CD1 3.75Å; M633-I637 HydrophobicContact CG-CG1 4.5Å; M633-I637 VanDerWaalsContact O-CG1 3.28Å; M633-I637 WeakPolarHBondContact O-CG1 3.49Å; M633-I637 PolarHBondContact O-N 3.17Å; V634-I637 PolarHBondContact O-N 3.02Å; T635-I637 VanDerWaalsContact C-N 3.35Å; T635-I637 PolarHBondContact O-N 3.06Å; I637-K639 VanDerWaalsContact C-N 3.35Å; I637-K639 PolarHBondContact O-N 3.07Å; I637-L640 WeakPolarHBondContact O-CB 3.39Å; I637-L640 PolarHBondContact O-N 2.94Å; I637-V641 WeakPolarHBondContact O-CG2 3.43Å; I637-V641 PolarHBondContact O-N 3.37Å
638L84.5Confident74.3Confident0 Ų030.6 Ų30.60%015%0.152CC..Hα-helixtrans-64.7-38.9178.2-67.5170.7000111.7L611 V634 T635 L640 V641 A642 L686 L689 P699 L702 I706L611-L638 HydrophobicContact CD2-CD2 4.25Å; L611-L638 HydrophobicContact CD2-CG 4.41Å; V634-L638 HydrophobicContact CG1-CD1 3.97Å; V634-L638 HydrophobicContact CG1-CG 4.41Å; V634-L638 WeakPolarHBondContact O-CG 3.13Å; V634-L638 PolarHBondContact O-N 2.74Å; T635-L638 PolarHBondContact O-N 3.21Å; L638-L640 VanDerWaalsContact C-N 3.34Å; L638-L640 PolarHBondContact O-N 2.98Å; L638-V641 PolarHBondContact O-N 3.33Å; L638-A642 VanDerWaalsContact O-CB 3.28Å; L638-A642 WeakPolarHBondContact O-CB 3.38Å; L638-A642 PolarHBondContact O-N 3.45Å; L638-L686 HydrophobicContact CD2-CD2 3.85Å; L638-L689 HydrophobicContact CD1-CD1 4.07Å; L638-L689 HydrophobicContact CD2-CD1 4.27Å; L638-P699 HydrophobicContact CD1-CB 3.88Å; L638-L702 HydrophobicContact CB-CB 3.83Å; L638-L702 HydrophobicContact CB-CD1 3.95Å; L638-L702 HydrophobicContact CD1-CB 4.31Å; L638-I706 HydrophobicContact CB-CD1 4.37Å; L638-I706 HydrophobicContact CD2-CD1 3.78Å
639K82.7Confident73.3Confident31 Ų3128.7 Ų28.714%0.13515%0.149CC..Hα-helixtrans-59.8-44173.2-73.4-176.5170.2-173.80111.7Y571 T635 V636 I637 Y643 L702 I756 S760Y571-K639 HydrophobicContact CD2-CB 4.19Å; Y571-K639 HydrophobicContact CE2-CB 3.92Å; T635-K639 HydrophobicContact CG2-CD 4.39Å; T635-K639 HydrophobicContact CG2-CG 4.5Å; T635-K639 WeakPolarHBondContact O-CB 3.48Å; T635-K639 VanDerWaalsContact O-CG 3.26Å; T635-K639 WeakPolarHBondContact O-CG 3.31Å; T635-K639 PolarHBondContact O-N 2.71Å; V636-K639 PolarHBondContact O-N 3.34Å; I637-K639 VanDerWaalsContact C-N 3.35Å; I637-K639 PolarHBondContact O-N 3.07Å; K639-Y643 WeakPolarHBondContact O-CB 2.88Å; K639-Y643 PolarHBondContact O-N 2.85Å; K639-L702 HydrophobicContact CG-CD1 3.79Å; K639-L702 HydrophobicContact CG-CD2 4.38Å; K639-I756 HydrophobicContact CB-CG2 3.94Å; K639-I756 HydrophobicContact CD-CG2 4.07Å; K639-I756 HydrophobicContact CG-CG2 3.53Å; K639-S760 VanDerWaalsContact NZ-CB 3.3Å; K639-S760 PolarHBondContact NZ-OG 3.05Å
640L78.1Confident72Confident5 Ų530.3 Ų30.33%0.02616%0.157CC..Hα-helixtrans-60.8-50.8176.6177.870000111.5M567 L570 Y571 L574 I607 V636 I637 L638 Y643 V644M567-L640 HydrophobicContact SD-CD2 4.09Å; L570-L640 HydrophobicContact CB-CD1 4.48Å; L570-L640 HydrophobicContact CD2-CD1 4.14Å; L570-L640 HydrophobicContact CD2-CD2 3.57Å; L570-L640 HydrophobicContact CD2-CG 4.5Å; L570-L640 HydrophobicContact CG-CD1 3.86Å; L570-L640 HydrophobicContact CG-CD2 4.15Å; Y571-L640 HydrophobicContact CD2-CB 4.49Å; L574-L640 HydrophobicContact CD1-CD1 3.72Å; I607-L640 HydrophobicContact CD1-CD2 4.12Å; V636-L640 WeakPolarHBondContact O-CB 3.32Å; V636-L640 PolarHBondContact O-N 3.45Å; I637-L640 WeakPolarHBondContact O-CB 3.39Å; I637-L640 PolarHBondContact O-N 2.94Å; L638-L640 VanDerWaalsContact C-N 3.34Å; L638-L640 PolarHBondContact O-N 2.98Å; L640-Y643 PolarHBondContact O-N 3.35Å; L640-V644 HydrophobicContact CD1-CG2 4.34Å; L640-V644 WeakPolarHBondContact O-CB 2.99Å; L640-V644 VanDerWaalsContact O-CG2 3.26Å; L640-V644 WeakPolarHBondContact O-CG2 3Å; L640-V644 PolarHBondContact O-N 2.83Å
641V78.1Confident70.3Confident11 Ų1130.4 Ų30.47%0.06716%0.16CC..Hα-helixtrans-62.7-45.4-179.5175.70000111.2I607 I637 L638 Y643 V644 M645 L677 F682 I706I607-V641 HydrophobicContact CG2-CG2 4.28Å; I637-V641 WeakPolarHBondContact O-CG2 3.43Å; I637-V641 PolarHBondContact O-N 3.37Å; L638-V641 PolarHBondContact O-N 3.33Å; V641-Y643 VanDerWaalsContact C-N 3.35Å; V641-Y643 PolarHBondContact O-N 2.94Å; V641-V644 PolarHBondContact O-N 3.1Å; V641-M645 VanDerWaalsContact O-CG 3.3Å; V641-M645 WeakPolarHBondContact O-CG 3.3Å; V641-M645 PolarHBondContact O-N 3.42Å; V641-L677 HydrophobicContact CG1-CD2 3.72Å; V641-F682 HydrophobicContact CG1-CZ 4.39Å; V641-I706 HydrophobicContact CB-CD1 3.94Å; V641-I706 HydrophobicContact CG1-CD1 3.82Å; V641-I706 HydrophobicContact CG1-CG1 4.13Å; V641-I706 HydrophobicContact CG1-CG2 4.01Å
642A76.8Confident68.6Low0 Ų030.3 Ų30.30%016%0.162CC..Hα-helixtrans-61.3-42176.700000112.1L638 M645 Q646 I706 Q709 I756L638-A642 VanDerWaalsContact O-CB 3.28Å; L638-A642 WeakPolarHBondContact O-CB 3.38Å; L638-A642 PolarHBondContact O-N 3.45Å; A642-M645 PolarHBondContact O-N 2.96Å; A642-Q646 WeakPolarHBondContact O-CG 3.4Å; A642-Q646 PolarHBondContact O-N 3.35Å; A642-I706 HydrophobicContact CB-CD1 4.39Å; A642-I706 HydrophobicContact CB-CG1 3.84Å; A642-Q709 PolarHBondContact O-OE1 3.4Å; A642-I756 HydrophobicContact CB-CD1 3.73Å
643Y72.4Confident66.7Low22 Ų2234.3 Ų34.39%0.08618%0.179CC..Hα-helixtrans-65.6-43179179.7-91.2000112.8Y571 L574 R575 H578 K639 L640 V641 M645 Q646 N647Y571-Y643 HydrophobicContact CE2-CD2 4.35Å; Y571-Y643 HydrophobicContact CE2-CG 4.14Å; L574-Y643 HydrophobicContact CB-CD1 4.3Å; L574-Y643 HydrophobicContact CB-CE1 3.93Å; L574-Y643 PolarHBondContact O-OH 3.2Å; R575-Y643 VanDerWaalsContact CA-CZ 3.49Å; R575-Y643 WeakPolarHBondContact CA-OH 3.3Å; R575-Y643 HydrophobicContact CB-CE2 3.97Å; R575-Y643 HydrophobicContact CG-CE2 3.87Å; H578-Y643 WeakPolarHBondContact CB-OH 3.27Å; K639-Y643 WeakPolarHBondContact O-CB 2.88Å; K639-Y643 PolarHBondContact O-N 2.85Å; L640-Y643 PolarHBondContact O-N 3.35Å; V641-Y643 VanDerWaalsContact C-N 3.35Å; V641-Y643 PolarHBondContact O-N 2.94Å; Y643-M645 VanDerWaalsContact C-N 3.28Å; Y643-M645 PolarHBondContact O-N 3.17Å; Y643-Q646 PolarHBondContact O-N 2.5Å; Y643-N647 WeakPolarHBondContact CD2-ND2 3.22Å; Y643-N647 WeakPolarHBondContact CE2-ND2 3.27Å; Y643-N647 PolarHBondContact O-N 3.4Å; Y643-N647 PolarHBondContact O-ND2 3.47Å; Y643-N647 VanDerWaalsContact O-ND2 3.16Å; Y643-N647 PolarHBondContact OH-ND2 3.06Å
644V69.6Low64.8Low28 Ų2838.6 Ų38.617%0.1721%0.206CC..Hα-helixtrans-62-39.1176.7170.60000110.5L574 L640 V641 Q648L574-V644 HydrophobicContact CD1-CG2 4.26Å; L640-V644 HydrophobicContact CD1-CG2 4.34Å; L640-V644 WeakPolarHBondContact O-CB 2.99Å; L640-V644 VanDerWaalsContact O-CG2 3.26Å; L640-V644 WeakPolarHBondContact O-CG2 3Å; L640-V644 PolarHBondContact O-N 2.83Å; V641-V644 PolarHBondContact O-N 3.1Å; V644-Q648 WeakPolarHBondContact O-CB 3.29Å; V644-Q648 VanDerWaalsContact O-CD 3.31Å; V644-Q648 WeakPolarHBondContact O-CG 3.35Å
645M68.9Low62.9Low14 Ų1441 Ų417%0.06922%0.223CC..Hα-helixtrans-71.2-42.1177.6-70.5-75.693.900113.4V641 A642 Y643 N647 L677 Q709 L710V641-M645 VanDerWaalsContact O-CG 3.3Å; V641-M645 WeakPolarHBondContact O-CG 3.3Å; V641-M645 PolarHBondContact O-N 3.42Å; A642-M645 PolarHBondContact O-N 2.96Å; Y643-M645 VanDerWaalsContact C-N 3.28Å; Y643-M645 PolarHBondContact O-N 3.17Å; M645-N647 PolarHBondContact O-N 3.46Å; M645-L677 HydrophobicContact CE-CD1 3.45Å; M645-L677 VanDerWaalsContact CE-CD1 3.45Å; M645-L677 HydrophobicContact CG-CD1 4.29Å; M645-L677 HydrophobicContact SD-CD1 3.6Å; M645-Q709 HydrophobicContact CB-CB 4.23Å; M645-L710 HydrophobicContact SD-CD2 3.87Å
646Q65.6Low60.9Low56 Ų5643.7 Ų43.726%0.26224%0.242SC..Hα-helixtrans-61.3-44.6179.1-75.5178.5-14.600113.4A642 Y643A642-Q646 WeakPolarHBondContact O-CG 3.4Å; A642-Q646 PolarHBondContact O-N 3.35Å; Y643-Q646 PolarHBondContact O-N 2.5Å
647N61.8Low59.1Low44 Ų4447.3 Ų47.324%0.23527%0.268CS..Hα-helixtrans-90.2-2.4-171.1-66.9-59.3000114.4Y643 M645 I649 P650 G651Y643-N647 WeakPolarHBondContact CD2-ND2 3.22Å; Y643-N647 WeakPolarHBondContact CE2-ND2 3.27Å; Y643-N647 PolarHBondContact O-N 3.4Å; Y643-N647 PolarHBondContact O-ND2 3.47Å; Y643-N647 VanDerWaalsContact O-ND2 3.16Å; Y643-N647 PolarHBondContact OH-ND2 3.06Å; M645-N647 PolarHBondContact O-N 3.46Å; N647-I649 VanDerWaalsContact C-N 3.33Å; N647-I649 PolarHBondContact O-N 2.81Å; N647-P650 WeakPolarHBondContact O-CD 3.47Å; N647-G651 PolarHBondContact O-N 2.97Å
648Q56.1Low57Low32 Ų3254.7 Ų54.715%0.1530%0.301CS..Hα-helixtrans-75-19.5-178-96.5-178.817.100114.3V644 V652 L670V644-Q648 WeakPolarHBondContact O-CB 3.29Å; V644-Q648 VanDerWaalsContact O-CD 3.31Å; V644-Q648 WeakPolarHBondContact O-CG 3.35Å; Q648-V652 WeakPolarHBondContact O-CG2 3.33Å; Q648-L670 HydrophobicContact CB-CD1 3.93Å; Q648-L670 VanDerWaalsContact CD-CD1 3.48Å; Q648-L670 HydrophobicContact CG-CD1 3.69Å; Q648-L670 VanDerWaalsContact OE1-CD1 3.23Å
649I44.8Very low54.8Low133 Ų13358.5 Ų58.568%0.68232%0.321SS*.Hα-helixtrans-80.3-35.3-174.9-55.1173.6000112.7N647N647-I649 VanDerWaalsContact C-N 3.33Å; N647-I649 PolarHBondContact O-N 2.81Å
650P40.3Very low52.6Low69 Ų6962.4 Ų62.445%0.44835%0.347SS..Hα-helixtrans-91.6-36.5173.9-9.828.6000114.3N647 V652 K653N647-P650 WeakPolarHBondContact O-CD 3.47Å; P650-V652 PolarHBondContact O-N 3.27Å; P650-K653 PolarHBondContact O-N 3.4Å
651G36.8Very low50.7Low17 Ų1771.9 Ų71.918%0.17539%0.391CS..Hα-helixtrans-68.1-27-167.600000115.4N647 K653 T654 S655N647-G651 PolarHBondContact O-N 2.97Å; G651-K653 VanDerWaalsContact C-N 3.33Å; G651-T654 PolarHBondContact O-OG1 3.2Å; G651-S655 PolarHBondContact O-N 3.26Å; G651-S655 PolarHBondContact O-OG 3.38Å
652V39.9Very low49.1Very low41 Ų4180.6 Ų80.625%0.24843%0.431CS..Hα-helixtrans-74-25.3178.8-178.10000111.8Q648 P650 L670Q648-V652 WeakPolarHBondContact O-CG2 3.33Å; P650-V652 PolarHBondContact O-N 3.27Å; V652-L670 HydrophobicContact CG2-CD1 4.06Å
653K36Very low47.2Very low176 Ų17684.5 Ų84.577%0.76545%0.452SS*.Hα-helixtrans-80.6-26.8179-73.9-177.1178.8175.50113.2P650 G651 S656P650-K653 PolarHBondContact O-N 3.4Å; G651-K653 VanDerWaalsContact C-N 3.33Å; K653-S656 PolarHBondContact O-OG 3.16Å
654T39.4Very low45.9Very low99 Ų9988.1 Ų88.161%0.60748%0.476SS*.Hα-helixtrans-90.6-23.3-179.147.50000113.5G651G651-T654 PolarHBondContact O-OG1 3.2Å
655S42.3Very low44.4Very low53 Ų5389.5 Ų89.537%0.37149%0.488SS..Hα-helixtrans-91.8-8.2179.150.70000114.3G651 S657G651-S655 PolarHBondContact O-N 3.26Å; G651-S655 PolarHBondContact O-OG 3.38Å; S655-S657 VanDerWaalsContact C-N 3.32Å; S655-S657 PolarHBondContact O-N 3.01Å
656S40Very low43.3Very low73 Ų7390.7 Ų90.751%0.5150%0.496SS..THydrogen-bonded Turntrans-74.5-12.9-175.360.10000115.2K653 F658K653-S656 PolarHBondContact O-OG 3.16Å; S656-F658 PolarHBondContact O-N 3.33Å
657S42.8Very low42.1Very low90 Ų9091.6 Ų91.663%0.62951%0.508SS*.THydrogen-bonded Turntrans-81.2-9.4-176.753.50000115.2S655S655-S657 VanDerWaalsContact C-N 3.32Å; S655-S657 PolarHBondContact O-N 3.01Å
658F39.8Very low41.5Very low154 Ų15492.1 Ų92.168%0.67552%0.516SS*.SBendtrans-114.12-171.3-76.1-80.7000115.5S656S656-F658 PolarHBondContact O-N 3.33Å
659L37.8Very low41.3Very low81 Ų8192.7 Ų92.742%0.42452%0.521SS..  trans-93.9114.9179.1-68.1169.8000111P666L659-P666 HydrophobicContact CD1-CG 3.78Å
660T38.3Very low41.6Very low113 Ų11389.4 Ų89.469%0.69351%0.505SS*.  trans-63.6139.8170.143.70000111.2Q662 D663T660-Q662 PolarHBondContact O-N 3.47Å; T660-D663 PolarHBondContact O-N 2.92Å
661E36.7Very low42.2Very low203 Ų20388.7 Ų88.795%0.94950%0.5SS*.THydrogen-bonded Turntrans-57.211.4-165.8-65.7-179.7143.600118.8
662Q44.1Very low43.2Very low194 Ų19493 Ų9391%0.90751%0.512SS*.THydrogen-bonded Turntrans-112.31.4179.5-72-173.9-12.200114.8T660T660-Q662 PolarHBondContact O-N 3.47Å
663D38.8Very low44.2Very low82 Ų8292.3 Ų92.344%0.43951%0.507SS..SBendtrans-114.8131.7-178-91.9-58.5000112.2R595 T660 S665R595-D663 IonicContact CZ-OD1 2.78Å; R595-D663 IonicContact NH1-OD1 2.8Å; R595-D663 IonicContact NH2-OD1 3.29Å; R595-D663 PolarHBondContact NH2-OD1 3.15Å; T660-D663 PolarHBondContact O-N 2.92Å; D663-S665 PolarHBondContact O-N 3.16Å
664V43.2Very low45.4Very low98 Ų9884.2 Ų84.259%0.59447%0.473SS*.  trans-35.9111.2177.6178.70000110.8S668V664-S668 WeakPolarHBondContact CG1-OG 3.15Å
665S39.8Very low46.5Very low58 Ų5881.6 Ų81.641%0.40646%0.461SS..  trans-62.7136.9-174.853.70000110.3D663 S667 S668D663-S665 PolarHBondContact O-N 3.16Å; S665-S667 VanDerWaalsContact CB-OG 3.25Å; S665-S667 WeakPolarHBondContact CB-OG 3.31Å; S665-S667 PolarHBondContact O-N 2.8Å; S665-S667 PolarHBondContact OG-OG 3.29Å; S665-S668 PolarHBondContact O-N 2.78Å; S665-S668 PolarHBondContact O-OG 3.37Å
666P45Very low47.6Very low39 Ų3981.2 Ų81.225%0.25345%0.453SS..G310 helixtrans-57.1-14.2176.919.8-31.2000113.3L659 S668 V669L659-P666 HydrophobicContact CD1-CG 3.78Å; P666-S668 PolarHBondContact O-N 2.81Å; P666-V669 PolarHBondContact O-N 3.19Å
667S41Very low49Very low74 Ų7478 Ų7852%0.51743%0.43SS..G310 helixtrans-63.8-17.8168.156.30000115.1S665 P671S665-S667 VanDerWaalsContact CB-OG 3.25Å; S665-S667 WeakPolarHBondContact CB-OG 3.31Å; S665-S667 PolarHBondContact O-N 2.8Å; S665-S667 PolarHBondContact OG-OG 3.29Å; S667-P671 WeakPolarHBondContact O-CD 3.44Å; S667-P671 WeakPolarHBondContact O-CG 3.28Å
668S49.4Very low50.1Low56 Ų5674.4 Ų74.439%0.39240%0.404SS..G310 helixtrans-90.7-20175.874.80000113.7V664 S665 P666V664-S668 WeakPolarHBondContact CG1-OG 3.15Å; S665-S668 PolarHBondContact O-N 2.78Å; S665-S668 PolarHBondContact O-OG 3.37Å; P666-S668 PolarHBondContact O-N 2.81Å
669V51.5Low51.6Low43 Ų4371.6 Ų71.626%0.26139%0.393SS..Hα-helixtrans-79.6-35.3-178-179.30000111I598 P666 Y672 L673I598-V669 HydrophobicContact CB-CG1 4.48Å; I598-V669 HydrophobicContact CG2-CG1 3.4Å; I598-V669 VanDerWaalsContact CG2-CG1 3.4Å; P666-V669 PolarHBondContact O-N 3.19Å; V669-Y672 PolarHBondContact O-N 3.12Å; V669-L673 PolarHBondContact O-N 3.09Å
670L50.6Low53.2Low64 Ų6472.6 Ų72.634%0.33540%0.396SS..Hα-helixtrans-61.5-50.5-179.4-140.481.2000113.3Q648 V652 Y672 L673 A674Q648-L670 HydrophobicContact CB-CD1 3.93Å; Q648-L670 VanDerWaalsContact CD-CD1 3.48Å; Q648-L670 HydrophobicContact CG-CD1 3.69Å; Q648-L670 VanDerWaalsContact OE1-CD1 3.23Å; V652-L670 HydrophobicContact CG2-CD1 4.06Å; L670-Y672 VanDerWaalsContact C-N 3.29Å; L670-Y672 PolarHBondContact O-N 3.11Å; L670-L673 PolarHBondContact O-N 2.74Å; L670-A674 WeakPolarHBondContact O-CB 3.33Å; L670-A674 PolarHBondContact O-N 2.72Å
671P53.5Low54.8Low55 Ų5569.9 Ų69.936%0.35738%0.377SS..Hα-helixtrans-63-38.4176.3-19.633000111S667 L673 A674 A675S667-P671 WeakPolarHBondContact O-CD 3.44Å; S667-P671 WeakPolarHBondContact O-CG 3.28Å; P671-L673 PolarHBondContact O-N 2.69Å; P671-A674 PolarHBondContact O-N 3.14Å; P671-A675 VanDerWaalsContact O-CB 3.26Å; P671-A675 WeakPolarHBondContact O-CB 3.4Å; P671-A675 PolarHBondContact O-N 2.97Å
672Y58Low56.7Low106 Ų10660.2 Ų60.242%0.41633%0.332SS..Hα-helixtrans-63.7-40178.6-176.1-99.4000113.5T601 V669 L670 K676T601-Y672 WeakPolarHBondContact CG2-OH 3.46Å; V669-Y672 PolarHBondContact O-N 3.12Å; L670-Y672 VanDerWaalsContact C-N 3.29Å; L670-Y672 PolarHBondContact O-N 3.11Å; Y672-K676 HydrophobicContact CE1-CD 3.99Å; Y672-K676 VanDerWaalsContact CZ-CE 3.44Å; Y672-K676 PolarHBondContact O-N 3.26Å; Y672-K676 WeakPolarHBondContact OH-CE 3Å; Y672-K676 PolarHBondContact OH-NZ 2.86Å
673L61.1Low58.2Low27 Ų2751.1 Ų51.114%0.14129%0.289CS..Hα-helixtrans-70.6-43.4175.2-120.1170000111.3I598 V669 L670 P671 K676 L677I598-L673 HydrophobicContact CD1-CD1 4.33Å; I598-L673 HydrophobicContact CG2-CD1 3.25Å; I598-L673 HydrophobicContact CG2-CG 4.12Å; V669-L673 PolarHBondContact O-N 3.09Å; L670-L673 PolarHBondContact O-N 2.74Å; P671-L673 PolarHBondContact O-N 2.69Å; L673-K676 PolarHBondContact O-N 3.32Å; L673-L677 HydrophobicContact CD2-CD1 3.86Å; L673-L677 HydrophobicContact CD2-CG 4.27Å; L673-L677 WeakPolarHBondContact O-CB 3.36Å; L673-L677 WeakPolarHBondContact O-CG 3.16Å; L673-L677 PolarHBondContact O-N 2.89Å
674A59.8Low59.9Low7 Ų750.8 Ų50.86%0.05829%0.287CS..Hα-helixtrans-58.9-48.1174.700000110.9L670 P671 K676 L677 C678 T713L670-A674 WeakPolarHBondContact O-CB 3.33Å; L670-A674 PolarHBondContact O-N 2.72Å; P671-A674 PolarHBondContact O-N 3.14Å; A674-K676 VanDerWaalsContact C-N 3.29Å; A674-K676 PolarHBondContact O-N 3.21Å; A674-L677 PolarHBondContact O-N 3.09Å; A674-C678 VanDerWaalsContact O-CB 3.27Å; A674-C678 WeakPolarHBondContact O-CB 3.47Å; A674-C678 PolarHBondContact O-N 3.05Å; A674-C678 PolarHBondContact O-SG 3.13Å; A674-T713 HydrophobicContact CB-CG2 4.11Å
675A62.4Low61.5Low43 Ų4346.6 Ų46.636%0.35526%0.262SS..Hα-helixtrans-53.4-44.4176.200000112.7P671 C678 E715P671-A675 VanDerWaalsContact O-CB 3.26Å; P671-A675 WeakPolarHBondContact O-CB 3.4Å; P671-A675 PolarHBondContact O-N 2.97Å; A675-C678 PolarHBondContact O-N 3.2Å; A675-E715 WeakPolarHBondContact CA-OE2 3.46Å; A675-E715 WeakPolarHBondContact CB-OE2 3.28Å; A675-E715 PolarHBondContact N-OE2 2.96Å; A675-E715 VanDerWaalsContact N-OE2 3.15Å
676K66.5Low63.5Low46 Ų4643.9 Ų43.920%0.224%0.243CC..Hα-helixtrans-70.6-46.1178.6-84-172.9173.3-179.70112.5T601 F604 Y672 L673 A674 C678 H679T601-K676 PolarHBondContact O-NZ 3.1Å; F604-K676 HydrophobicContact CB-CD 4.13Å; F604-K676 HydrophobicContact CD1-CB 3.87Å; F604-K676 HydrophobicContact CD1-CD 3.75Å; F604-K676 HydrophobicContact CD1-CG 4.15Å; F604-K676 HydrophobicContact CD2-CB 4.18Å; F604-K676 HydrophobicContact CE1-CB 3.77Å; F604-K676 HydrophobicContact CE1-CD 4.4Å; F604-K676 HydrophobicContact CE1-CG 4.32Å; F604-K676 HydrophobicContact CE2-CB 4.09Å; F604-K676 HydrophobicContact CG-CB 4.08Å; F604-K676 HydrophobicContact CG-CD 3.94Å; F604-K676 HydrophobicContact CZ-CB 3.9Å; F604-K676 WeakPolarHBondContact CZ-O 3.38Å; Y672-K676 HydrophobicContact CE1-CD 3.99Å; Y672-K676 VanDerWaalsContact CZ-CE 3.44Å; Y672-K676 PolarHBondContact O-N 3.26Å; Y672-K676 WeakPolarHBondContact OH-CE 3Å; Y672-K676 PolarHBondContact OH-NZ 2.86Å; L673-K676 PolarHBondContact O-N 3.32Å; A674-K676 VanDerWaalsContact C-N 3.29Å; A674-K676 PolarHBondContact O-N 3.21Å; K676-C678 PolarHBondContact O-N 3.42Å; K676-H679 WeakPolarHBondContact O-CB 3.37Å; K676-H679 PolarHBondContact O-N 3.42Å
677L68.4Low65Low5 Ų542.5 Ų42.53%0.02623%0.234CC..Hα-helixtrans-62.6-23.2176.1-73.9164.2000112.2F604 V641 M645 L673 A674 H679 F682 L710F604-L677 HydrophobicContact CD2-CD2 4.37Å; F604-L677 HydrophobicContact CE2-CD2 3.7Å; F604-L677 HydrophobicContact CE2-CG 3.96Å; V641-L677 HydrophobicContact CG1-CD2 3.72Å; M645-L677 HydrophobicContact CE-CD1 3.45Å; M645-L677 VanDerWaalsContact CE-CD1 3.45Å; M645-L677 HydrophobicContact CG-CD1 4.29Å; M645-L677 HydrophobicContact SD-CD1 3.6Å; L673-L677 HydrophobicContact CD2-CD1 3.86Å; L673-L677 HydrophobicContact CD2-CG 4.27Å; L673-L677 WeakPolarHBondContact O-CB 3.36Å; L673-L677 WeakPolarHBondContact O-CG 3.16Å; L673-L677 PolarHBondContact O-N 2.89Å; A674-L677 PolarHBondContact O-N 3.09Å; L677-H679 VanDerWaalsContact C-N 3.33Å; L677-F682 HydrophobicContact CD2-CE1 3.75Å; L677-F682 HydrophobicContact CD2-CE2 4.4Å; L677-F682 HydrophobicContact CD2-CZ 3.69Å; L677-F682 WeakPolarHBondContact O-CD1 3.25Å; L677-L710 HydrophobicContact CB-CD2 3.72Å; L677-L710 HydrophobicContact CD1-CD2 4.32Å
678C66Low66.7Low14 Ų1439.6 Ų39.610%0.09521%0.213CC..THydrogen-bonded Turntrans-92.412.3176.7-630000114.3A674 A675 K676 L683 I719A674-C678 VanDerWaalsContact O-CB 3.27Å; A674-C678 WeakPolarHBondContact O-CB 3.47Å; A674-C678 PolarHBondContact O-N 3.05Å; A674-C678 PolarHBondContact O-SG 3.13Å; A675-C678 PolarHBondContact O-N 3.2Å; K676-C678 PolarHBondContact O-N 3.42Å; C678-L683 WeakPolarHBondContact O-CD1 3.45Å; C678-I719 HydrophobicContact CB-CD1 3.24Å; C678-I719 HydrophobicContact CB-CG1 3.99Å; C678-I719 HydrophobicContact CB-CG2 4.21Å
679H72Confident68.1Low95 Ų9537.3 Ų37.344%0.4420%0.196SC..  trans-64.1135.1172.9-172.7-82.6000111K676 L677 D681 F682 L683K676-H679 WeakPolarHBondContact O-CB 3.37Å; K676-H679 PolarHBondContact O-N 3.42Å; L677-H679 VanDerWaalsContact C-N 3.33Å; H679-D681 VanDerWaalsContact C-N 3.35Å; H679-D681 PolarHBondContact ND1-N 3.21Å; H679-D681 PolarHBondContact O-N 3.47Å; H679-F682 WeakPolarHBondContact O-CB 3.43Å; H679-F682 PolarHBondContact O-N 3.39Å; H679-L683 PolarHBondContact O-N 2.86Å
680Q71.7Confident69.3Low103 Ų10335.3 Ų35.348%0.48118%0.184SC..Hα-helixtrans-50.4-48-174.6172.7172.91.200113.8F682 L683 L684 T720Q680-F682 VanDerWaalsContact C-N 3.32Å; Q680-F682 PolarHBondContact O-N 2.95Å; Q680-L683 PolarHBondContact O-N 3.31Å; Q680-L684 PolarHBondContact O-N 3.13Å; Q680-T720 HydrophobicContact CB-CG2 3.69Å; Q680-T720 HydrophobicContact CG-CG2 3.65Å
681D72Confident70.4Confident55 Ų5534.8 Ų34.829%0.29419%0.186SC..Hα-helixtrans-64-34179.8-74.57.4000113.2F608 K612 H679 L684 C685F608-D681 HydrophobicContact CE1-CB 4.49Å; F608-D681 HydrophobicContact CE2-CB 3.66Å; F608-D681 HydrophobicContact CZ-CB 3.31Å; K612-D681 IonicContact NZ-OD2 3.76Å; K612-D681 PolarHBondContact NZ-OD2 3.36Å; H679-D681 VanDerWaalsContact C-N 3.35Å; H679-D681 PolarHBondContact ND1-N 3.21Å; H679-D681 PolarHBondContact O-N 3.47Å; D681-L684 PolarHBondContact O-N 3.35Å; D681-C685 PolarHBondContact O-N 3.22Å; D681-C685 PolarHBondContact O-SG 2.91Å
682F76.5Confident71.4Confident1 Ų135.4 Ų35.40%0.00418%0.182CC..Hα-helixtrans-69.5-41.8-180178.3-93.1000110.2F604 F608 L611 V641 L677 H679 Q680 L684 C685 L686F604-F682 HydrophobicContact CE2-CD2 4.39Å; F604-F682 HydrophobicContact CE2-CE2 4.46Å; F604-F682 HydrophobicContact CZ-CD2 4.17Å; F604-F682 HydrophobicContact CZ-CG 4.38Å; F608-F682 HydrophobicContact CD2-CB 3.94Å; F608-F682 AromaticContact CD2-CD2 3.95Å; F608-F682 HydrophobicContact CD2-CD2 3.95Å; F608-F682 HydrophobicContact CD2-CG 4.46Å; F608-F682 HydrophobicContact CE2-CB 4.02Å; L611-F682 HydrophobicContact CD1-CD2 4.35Å; L611-F682 HydrophobicContact CD1-CE2 3.61Å; L611-F682 HydrophobicContact CD1-CZ 4.4Å; V641-F682 HydrophobicContact CG1-CZ 4.39Å; L677-F682 HydrophobicContact CD2-CE1 3.75Å; L677-F682 HydrophobicContact CD2-CE2 4.4Å; L677-F682 HydrophobicContact CD2-CZ 3.69Å; L677-F682 WeakPolarHBondContact O-CD1 3.25Å; H679-F682 WeakPolarHBondContact O-CB 3.43Å; H679-F682 PolarHBondContact O-N 3.39Å; Q680-F682 VanDerWaalsContact C-N 3.32Å; Q680-F682 PolarHBondContact O-N 2.95Å; F682-L684 VanDerWaalsContact C-N 3.35Å; F682-C685 WeakPolarHBondContact O-CB 3.38Å; F682-C685 PolarHBondContact O-N 3.45Å; F682-L686 HydrophobicContact CD1-CD1 4.07Å; F682-L686 HydrophobicContact CD1-CG 4.36Å; F682-L686 HydrophobicContact CE1-CD1 3.6Å; F682-L686 HydrophobicContact CE1-CD2 4.45Å; F682-L686 HydrophobicContact CE1-CG 4.07Å; F682-L686 HydrophobicContact CZ-CD1 4.32Å; F682-L686 HydrophobicContact CZ-CD2 4.41Å; F682-L686 HydrophobicContact CZ-CG 4.47Å; F682-L686 PolarHBondContact O-N 3.23Å
683L75.8Confident71.9Confident2 Ų230.9 Ų30.91%0.0117%0.166CC..Hα-helixtrans-63.4-40.8175.1-62.1166.1000111.4C678 H679 Q680 C685 L686 V687 L707 L710 I719 T720C678-L683 WeakPolarHBondContact O-CD1 3.45Å; H679-L683 PolarHBondContact O-N 2.86Å; Q680-L683 PolarHBondContact O-N 3.31Å; L683-C685 VanDerWaalsContact C-N 3.34Å; L683-C685 PolarHBondContact O-N 3.02Å; L683-L686 PolarHBondContact O-N 3.14Å; L683-V687 WeakPolarHBondContact O-CG2 3.46Å; L683-V687 PolarHBondContact O-N 3.05Å; L683-L707 HydrophobicContact CD2-CD2 3.77Å; L683-L710 HydrophobicContact CD2-CD1 3.92Å; L683-I719 HydrophobicContact CD1-CG2 3.88Å; L683-I719 VanDerWaalsContact CD1-O 3.3Å; L683-I719 WeakPolarHBondContact CD1-O 3.44Å; L683-I719 HydrophobicContact CD2-CG2 4.47Å; L683-T720 HydrophobicContact CD1-CG2 4.05Å; L683-T720 VanDerWaalsContact CD1-OG1 3.3Å; L683-T720 WeakPolarHBondContact CD1-OG1 3.43Å
684L74.1Confident72.2Confident76 Ų7636.6 Ų36.640%0.39819%0.192SC..Hα-helixtrans-60.9-42.5173.5-172.567000111.4Q680 D681 F682 L686 V687 T688Q680-L684 PolarHBondContact O-N 3.13Å; D681-L684 PolarHBondContact O-N 3.35Å; F682-L684 VanDerWaalsContact C-N 3.35Å; L684-L686 VanDerWaalsContact C-N 3.33Å; L684-L686 PolarHBondContact O-N 3.36Å; L684-V687 PolarHBondContact O-N 3.21Å; L684-T688 WeakPolarHBondContact O-CG2 3.42Å; L684-T688 PolarHBondContact O-N 3.23Å; L684-T688 PolarHBondContact O-OG1 3.14Å
685C77.4Confident72.6Confident10 Ų1042.6 Ų42.67%0.06822%0.219CC..Hα-helixtrans-59.4-42.8174.9-64.70000111.6A615 D681 F682 L683 T688 L689A615-C685 HydrophobicContact CB-CB 4.31Å; D681-C685 PolarHBondContact O-N 3.22Å; D681-C685 PolarHBondContact O-SG 2.91Å; F682-C685 WeakPolarHBondContact O-CB 3.38Å; F682-C685 PolarHBondContact O-N 3.45Å; L683-C685 VanDerWaalsContact C-N 3.34Å; L683-C685 PolarHBondContact O-N 3.02Å; C685-T688 WeakPolarHBondContact CA-OG1 3.31Å; C685-T688 PolarHBondContact O-N 3.43Å; C685-T688 PolarHBondContact O-OG1 2.5Å; C685-L689 WeakPolarHBondContact O-CG 3.2Å; C685-L689 PolarHBondContact O-N 3.4Å; C685-L689 VanDerWaalsContact O-N 3.09Å
686L80.2Confident73.2Confident1 Ų143.7 Ų43.71%0.00522%0.217CC..Hα-helixtrans-62-43.8175.4-65.4-178.9000111.9L638 F682 L683 L684 L689 I690 A703 I706 L707L638-L686 HydrophobicContact CD2-CD2 3.85Å; F682-L686 HydrophobicContact CD1-CD1 4.07Å; F682-L686 HydrophobicContact CD1-CG 4.36Å; F682-L686 HydrophobicContact CE1-CD1 3.6Å; F682-L686 HydrophobicContact CE1-CD2 4.45Å; F682-L686 HydrophobicContact CE1-CG 4.07Å; F682-L686 HydrophobicContact CZ-CD1 4.32Å; F682-L686 HydrophobicContact CZ-CD2 4.41Å; F682-L686 HydrophobicContact CZ-CG 4.47Å; F682-L686 PolarHBondContact O-N 3.23Å; L683-L686 PolarHBondContact O-N 3.14Å; L684-L686 VanDerWaalsContact C-N 3.33Å; L684-L686 PolarHBondContact O-N 3.36Å; L686-L689 HydrophobicContact CD2-CD1 4.48Å; L686-L689 WeakPolarHBondContact O-CB 3.02Å; L686-L689 PolarHBondContact O-N 3.25Å; L686-I690 VanDerWaalsContact O-CD1 3.29Å; L686-I690 WeakPolarHBondContact O-CD1 3.3Å; L686-I690 WeakPolarHBondContact O-CG1 3.49Å; L686-I690 PolarHBondContact O-N 3.48Å; L686-A703 HydrophobicContact CB-CB 4.36Å; L686-A703 HydrophobicContact CD2-CB 3.96Å; L686-I706 HydrophobicContact CD1-CB 4.37Å; L686-I706 HydrophobicContact CD1-CG2 3.89Å; L686-I706 HydrophobicContact CD2-CD1 4.49Å; L686-L707 HydrophobicContact CB-CD1 4.32Å; L686-L707 HydrophobicContact CB-CD2 4.24Å; L686-L707 HydrophobicContact CB-CG 4.23Å; L686-L707 HydrophobicContact CD1-CD2 3.74Å; L686-L707 HydrophobicContact CD1-CG 3.96Å
687V77.6Confident73.7Confident9 Ų941.9 Ų41.96%0.05521%0.21CC..Hα-helixtrans-62.9-42.1176.7175.80000111.5L683 L684 L689 I690 S691 F737L683-V687 WeakPolarHBondContact O-CG2 3.46Å; L683-V687 PolarHBondContact O-N 3.05Å; L684-V687 PolarHBondContact O-N 3.21Å; V687-L689 VanDerWaalsContact C-N 3.31Å; V687-L689 PolarHBondContact O-N 3.34Å; V687-I690 WeakPolarHBondContact O-CB 3.29Å; V687-I690 PolarHBondContact O-N 2.71Å; V687-I690 VanDerWaalsContact O-N 3.16Å; V687-S691 PolarHBondContact O-N 3.19Å; V687-S691 PolarHBondContact O-OG 3.05Å; V687-F737 HydrophobicContact CG1-CE2 4.26Å; V687-F737 HydrophobicContact CG2-CZ 4.41Å
688T77.4Confident74.3Confident14 Ų1443.2 Ų43.29%0.08622%0.217CC..Hα-helixtrans-61.8-38.2176.157.40000112.2A615 L684 C685 I690 S691 Y692A615-T688 WeakPolarHBondContact CB-OG1 3.49Å; L684-T688 WeakPolarHBondContact O-CG2 3.42Å; L684-T688 PolarHBondContact O-N 3.23Å; L684-T688 PolarHBondContact O-OG1 3.14Å; C685-T688 WeakPolarHBondContact CA-OG1 3.31Å; C685-T688 PolarHBondContact O-N 3.43Å; C685-T688 PolarHBondContact O-OG1 2.5Å; T688-I690 VanDerWaalsContact C-N 3.28Å; T688-I690 PolarHBondContact O-N 3.08Å; T688-S691 VanDerWaalsContact O-CB 3.25Å; T688-S691 WeakPolarHBondContact O-CB 3.38Å; T688-S691 PolarHBondContact O-N 2.84Å; T688-S691 PolarHBondContact O-OG 2.67Å; T688-Y692 VanDerWaalsContact O-CD2 3.28Å; T688-Y692 WeakPolarHBondContact O-CD2 3.16Å
689L77.4Confident75.2Confident7 Ų742.8 Ų42.84%0.03721%0.214CC..Hα-helixtrans-62.4-36.7176.2-71.6168.2000112.1F614 L618 L638 C685 L686 V687 S691 Y692 S700 A703F614-L689 HydrophobicContact CD1-CD2 3.72Å; F614-L689 HydrophobicContact CE1-CD2 3.53Å; L618-L689 HydrophobicContact CD1-CD2 4.06Å; L638-L689 HydrophobicContact CD1-CD1 4.07Å; L638-L689 HydrophobicContact CD2-CD1 4.27Å; C685-L689 WeakPolarHBondContact O-CG 3.2Å; C685-L689 PolarHBondContact O-N 3.4Å; C685-L689 VanDerWaalsContact O-N 3.09Å; L686-L689 HydrophobicContact CD2-CD1 4.48Å; L686-L689 WeakPolarHBondContact O-CB 3.02Å; L686-L689 PolarHBondContact O-N 3.25Å; V687-L689 VanDerWaalsContact C-N 3.31Å; V687-L689 PolarHBondContact O-N 3.34Å; L689-S691 VanDerWaalsContact C-N 3.29Å; L689-S691 PolarHBondContact O-N 3.21Å; L689-Y692 PolarHBondContact O-N 2.67Å; L689-S700 PolarHBondContact O-OG 3.43Å; L689-A703 HydrophobicContact CB-CB 4.31Å
690I77.7Confident75.7Confident2 Ų238.2 Ų38.21%0.0119%0.193CC..Hα-helixtrans-67.7-31.2179-64.3153.6000111.5L686 V687 T688 Y692 A693 A703 M704 L707L686-I690 VanDerWaalsContact O-CD1 3.29Å; L686-I690 WeakPolarHBondContact O-CD1 3.3Å; L686-I690 WeakPolarHBondContact O-CG1 3.49Å; L686-I690 PolarHBondContact O-N 3.48Å; V687-I690 WeakPolarHBondContact O-CB 3.29Å; V687-I690 PolarHBondContact O-N 2.71Å; V687-I690 VanDerWaalsContact O-N 3.16Å; T688-I690 VanDerWaalsContact C-N 3.28Å; T688-I690 PolarHBondContact O-N 3.08Å; I690-Y692 PolarHBondContact O-N 3.4Å; I690-A693 WeakPolarHBondContact O-CB 3.33Å; I690-A693 PolarHBondContact O-N 2.95Å; I690-A703 HydrophobicContact CD1-CB 4.36Å; I690-A703 HydrophobicContact CG1-CB 4.09Å; I690-M704 HydrophobicContact CD1-CG 3.84Å; I690-M704 HydrophobicContact CD1-SD 3.14Å; I690-M704 WeakPolarHBondContact CD1-SD 3.49Å; I690-M704 HydrophobicContact CG1-CG 3.91Å; I690-M704 HydrophobicContact CG1-SD 3.86Å; I690-M704 HydrophobicContact CG2-CG 4.48Å; I690-M704 HydrophobicContact CG2-SD 4.34Å; I690-L707 HydrophobicContact CD1-CD1 3.56Å
691S73.5Confident76.3Confident53 Ų5333.4 Ų33.437%0.37117%0.17SC..Hα-helixtrans-58.3-30.1175.9-47.70000113.7V687 T688 L689 T736V687-S691 PolarHBondContact O-N 3.19Å; V687-S691 PolarHBondContact O-OG 3.05Å; T688-S691 VanDerWaalsContact O-CB 3.25Å; T688-S691 WeakPolarHBondContact O-CB 3.38Å; T688-S691 PolarHBondContact O-N 2.84Å; T688-S691 PolarHBondContact O-OG 2.67Å; L689-S691 VanDerWaalsContact C-N 3.29Å; L689-S691 PolarHBondContact O-N 3.21Å; S691-T736 VanDerWaalsContact CB-CG2 3.47Å; S691-T736 WeakPolarHBondContact OG-CG2 3.42Å
692Y73.1Confident76.9Confident68 Ų6830.9 Ų30.927%0.26716%0.157SC..THydrogen-bonded Turntrans-97.824.4-177.3-66.9-92.9000112.7L618 T688 L689 I690 E694 E695 Q696L618-Y692 HydrophobicContact CB-CD2 4.26Å; L618-Y692 HydrophobicContact CB-CE1 4.47Å; L618-Y692 HydrophobicContact CB-CE2 3.81Å; L618-Y692 HydrophobicContact CD1-CD2 4.07Å; L618-Y692 HydrophobicContact CD1-CE2 4.42Å; L618-Y692 HydrophobicContact CD1-CG 4.47Å; L618-Y692 HydrophobicContact CD2-CD1 4.48Å; L618-Y692 PolarHBondContact O-OH 3.47Å; T688-Y692 VanDerWaalsContact O-CD2 3.28Å; T688-Y692 WeakPolarHBondContact O-CD2 3.16Å; L689-Y692 PolarHBondContact O-N 2.67Å; I690-Y692 PolarHBondContact O-N 3.4Å; Y692-E694 PolarHBondContact O-N 2.9Å; Y692-E694 VanDerWaalsContact O-N 3.15Å; Y692-E695 PolarHBondContact O-N 3.15Å; Y692-E695 VanDerWaalsContact O-N 3.16Å; Y692-Q696 PolarHBondContact O-N 3.22Å
693A69.8Low77.3Confident11 Ų1130.8 Ų30.89%0.09116%0.156CC..THydrogen-bonded Turntrans-57.9-26.2179.600000114.4I690 S700 L771I690-A693 WeakPolarHBondContact O-CB 3.33Å; I690-A693 PolarHBondContact O-N 2.95Å; A693-S700 WeakPolarHBondContact CA-OG 3.35Å; A693-L771 HydrophobicContact CB-CD2 3.45Å; A693-L771 VanDerWaalsContact CB-CD2 3.45Å
694E67.7Low77.7Confident146 Ų14630.7 Ų30.768%0.68216%0.156SC*.THydrogen-bonded Turntrans-65.5-43.3176.9-70.7-170.2177.800112.2Y692 R768Y692-E694 PolarHBondContact O-N 2.9Å; Y692-E694 VanDerWaalsContact O-N 3.15Å; E694-R768 PolarHBondContact O-NH2 3.22Å
695E68.4Low78Confident134 Ų13427.8 Ų27.863%0.62614%0.141SC*.THydrogen-bonded Turntrans-85.5-39.9-178.1-61.8-176176.200112.1Y692Y692-E695 PolarHBondContact O-N 3.15Å; Y692-E695 VanDerWaalsContact O-N 3.16Å
696Q73.9Confident78.1Confident65 Ų6527.3 Ų27.330%0.30414%0.138SC..  trans-135.985.8-173.4-61-60.2-2700111.4L631 Y692 P699 S700L631-Q696 HydrophobicContact CD1-CG 4.24Å; L631-Q696 VanDerWaalsContact CD2-OE1 3.31Å; Y692-Q696 PolarHBondContact O-N 3.22Å; Q696-P699 HydrophobicContact CB-CG 4.3Å; Q696-S700 PolarHBondContact O-OG 2.83Å
697P76.8Confident78.1Confident9 Ų927.6 Ų27.66%0.05814%0.14CC..Hα-helixtrans-74.5-31-17431.6-39000113.2S700 V701 V764 L767 R768P697-S700 WeakPolarHBondContact O-CB 3.41Å; P697-S700 PolarHBondContact O-N 3.07Å; P697-V701 WeakPolarHBondContact O-CG2 3.39Å; P697-V701 PolarHBondContact O-N 3.39Å; P697-V764 HydrophobicContact CG-CB 4.46Å; P697-V764 HydrophobicContact CG-CG1 4.13Å; P697-V764 HydrophobicContact CG-CG2 4.28Å; P697-L767 HydrophobicContact CB-CB 3.8Å; P697-L767 HydrophobicContact CB-CD1 4.33Å; P697-L767 HydrophobicContact CG-CB 4.13Å; P697-L767 HydrophobicContact CG-CD1 3.86Å; P697-R768 HydrophobicContact CB-CG 4.48Å
698L81.8Confident78.1Confident32 Ų3228.3 Ų28.317%0.16814%0.141CC..Hα-helixtrans-66.6-50.9-175.7176.665.4000113.3T635 S700 V701 L702 V759 L767T635-L698 HydrophobicContact CG2-CD2 3.71Å; T635-L698 HydrophobicContact CG2-CG 4.21Å; L698-S700 PolarHBondContact O-N 3.28Å; L698-V701 PolarHBondContact O-N 2.88Å; L698-L702 HydrophobicContact CD1-CD1 4.37Å; L698-L702 HydrophobicContact CD1-CG 4.43Å; L698-L702 HydrophobicContact CG-CD1 4.4Å; L698-L702 WeakPolarHBondContact O-CG 3.48Å; L698-L702 PolarHBondContact O-N 3.49Å; L698-L702 VanDerWaalsContact O-N 3.14Å; L698-V759 HydrophobicContact CD1-CG1 3.93Å; L698-L767 HydrophobicContact CB-CD1 4.02Å; L698-L767 HydrophobicContact CD1-CD2 4.08Å
699P83.5Confident77.9Confident5 Ų529.2 Ų29.23%0.03214%0.144CC..Hα-helixtrans-57.9-36.9173.6-24.634.7000112.7L631 L638 Q696 L702 A703L631-P699 HydrophobicContact CD1-CG 3.9Å; L638-P699 HydrophobicContact CD1-CB 3.88Å; Q696-P699 HydrophobicContact CB-CG 4.3Å; P699-L702 PolarHBondContact O-N 3.11Å; P699-A703 VanDerWaalsContact O-CB 3.31Å; P699-A703 WeakPolarHBondContact O-CB 3.44Å; P699-A703 PolarHBondContact O-N 2.74Å
700S83.5Confident77.6Confident0 Ų029 Ų290%014%0.143CC..Hα-helixtrans-63.6-45.1178.9-56.50000112.4L689 A693 Q696 P697 L698 A703 M704L689-S700 PolarHBondContact O-OG 3.43Å; A693-S700 WeakPolarHBondContact CA-OG 3.35Å; Q696-S700 PolarHBondContact O-OG 2.83Å; P697-S700 WeakPolarHBondContact O-CB 3.41Å; P697-S700 PolarHBondContact O-N 3.07Å; L698-S700 PolarHBondContact O-N 3.28Å; S700-A703 PolarHBondContact O-N 2.92Å; S700-M704 PolarHBondContact O-N 2.88Å
701V84.2Confident77.1Confident1 Ų130.4 Ų30.41%0.00615%0.15CC..Hα-helixtrans-63.2-43.4175.9173.80000111.1P697 L698 M704 T705 V759 L767 L770 L771P697-V701 WeakPolarHBondContact O-CG2 3.39Å; P697-V701 PolarHBondContact O-N 3.39Å; L698-V701 PolarHBondContact O-N 2.88Å; V701-M704 PolarHBondContact O-N 3.22Å; V701-T705 WeakPolarHBondContact O-CB 3.42Å; V701-T705 PolarHBondContact O-N 3.38Å; V701-T705 PolarHBondContact O-OG1 3.08Å; V701-V759 HydrophobicContact CG1-CG1 3.84Å; V701-L767 HydrophobicContact CG2-CB 4.44Å; V701-L767 HydrophobicContact CG2-CD2 4.38Å; V701-L767 WeakPolarHBondContact CG2-O 3.19Å; V701-L770 HydrophobicContact CG1-CB 4.25Å; V701-L770 HydrophobicContact CG2-CB 4.37Å; V701-L771 HydrophobicContact CG2-CB 3.86Å; V701-L771 HydrophobicContact CG2-CD1 4.41Å
702L84Confident76.7Confident2 Ų233.5 Ų33.51%0.0116%0.158CC..Hα-helixtrans-65.5-41.8178.2-65.5173.2000111.5T635 L638 K639 L698 P699 T705 I706 I756T635-L702 HydrophobicContact CG2-CD1 4.07Å; L638-L702 HydrophobicContact CB-CB 3.83Å; L638-L702 HydrophobicContact CB-CD1 3.95Å; L638-L702 HydrophobicContact CD1-CB 4.31Å; K639-L702 HydrophobicContact CG-CD1 3.79Å; K639-L702 HydrophobicContact CG-CD2 4.38Å; L698-L702 HydrophobicContact CD1-CD1 4.37Å; L698-L702 HydrophobicContact CD1-CG 4.43Å; L698-L702 HydrophobicContact CG-CD1 4.4Å; L698-L702 WeakPolarHBondContact O-CG 3.48Å; L698-L702 PolarHBondContact O-N 3.49Å; L698-L702 VanDerWaalsContact O-N 3.14Å; P699-L702 PolarHBondContact O-N 3.11Å; L702-T705 WeakPolarHBondContact O-CB 3.17Å; L702-T705 PolarHBondContact O-N 3.2Å; L702-I706 VanDerWaalsContact O-CG1 3.32Å; L702-I706 WeakPolarHBondContact O-CG1 3.33Å; L702-I706 PolarHBondContact O-N 3.2Å; L702-I756 HydrophobicContact CD2-CG2 3.99Å
703A84.6Confident76.2Confident0 Ų031.9 Ų31.90%016%0.155CC..Hα-helixtrans-60.6-45.7175.300000111.8L686 L689 I690 P699 S700 T705 I706 L707L686-A703 HydrophobicContact CB-CB 4.36Å; L686-A703 HydrophobicContact CD2-CB 3.96Å; L689-A703 HydrophobicContact CB-CB 4.31Å; I690-A703 HydrophobicContact CD1-CB 4.36Å; I690-A703 HydrophobicContact CG1-CB 4.09Å; P699-A703 VanDerWaalsContact O-CB 3.31Å; P699-A703 WeakPolarHBondContact O-CB 3.44Å; P699-A703 PolarHBondContact O-N 2.74Å; S700-A703 PolarHBondContact O-N 2.92Å; A703-T705 VanDerWaalsContact C-N 3.33Å; A703-T705 PolarHBondContact O-N 3.42Å; A703-I706 PolarHBondContact O-N 3.49Å; A703-L707 WeakPolarHBondContact O-CG 3.32Å; A703-L707 PolarHBondContact O-N 3.33Å
704M84.9Confident75.6Confident0 Ų040.7 Ų40.70%020%0.195CC..Hα-helixtrans-63.9-36.5174.6-78.5-49.4-69.200113.1I690 S700 V701 I706 L707 R708 F737 L771 N774 I775 F778I690-M704 HydrophobicContact CD1-CG 3.84Å; I690-M704 HydrophobicContact CD1-SD 3.14Å; I690-M704 WeakPolarHBondContact CD1-SD 3.49Å; I690-M704 HydrophobicContact CG1-CG 3.91Å; I690-M704 HydrophobicContact CG1-SD 3.86Å; I690-M704 HydrophobicContact CG2-CG 4.48Å; I690-M704 HydrophobicContact CG2-SD 4.34Å; S700-M704 PolarHBondContact O-N 2.88Å; V701-M704 PolarHBondContact O-N 3.22Å; M704-I706 VanDerWaalsContact C-N 3.33Å; M704-I706 PolarHBondContact O-N 3.49Å; M704-L707 PolarHBondContact O-N 2.95Å; M704-L707 HydrophobicContact SD-CD1 3.95Å; M704-R708 WeakPolarHBondContact O-CB 3.36Å; M704-R708 PolarHBondContact O-N 2.97Å; M704-F737 HydrophobicContact CE-CD1 4.21Å; M704-F737 HydrophobicContact CE-CE1 3.65Å; M704-F737 HydrophobicContact SD-CD1 4.42Å; M704-F737 HydrophobicContact SD-CE1 3.65Å; M704-F737 HydrophobicContact SD-CZ 4.44Å; M704-L771 HydrophobicContact CB-CD1 4.14Å; M704-L771 HydrophobicContact CG-CD1 3.5Å; M704-N774 HydrophobicContact CB-CB 4.09Å; M704-I775 HydrophobicContact CE-CB 4.34Å; M704-I775 HydrophobicContact CE-CG1 3.71Å; M704-I775 HydrophobicContact CG-CG1 4.23Å; M704-I775 HydrophobicContact SD-CG1 4.36Å; M704-F778 HydrophobicContact CE-CB 4.31Å; M704-F778 HydrophobicContact CE-CD1 4.23Å; M704-F778 HydrophobicContact CE-CG 4.36Å
705T81.2Confident75Confident15 Ų1537.5 Ų37.59%0.09218%0.18CC..Hα-helixtrans-64.1-40.3177.1-57.40000111.2V701 L702 A703 Q709V701-T705 WeakPolarHBondContact O-CB 3.42Å; V701-T705 PolarHBondContact O-N 3.38Å; V701-T705 PolarHBondContact O-OG1 3.08Å; L702-T705 WeakPolarHBondContact O-CB 3.17Å; L702-T705 PolarHBondContact O-N 3.2Å; A703-T705 VanDerWaalsContact C-N 3.33Å; A703-T705 PolarHBondContact O-N 3.42Å; T705-Q709 WeakPolarHBondContact O-CG 3.14Å; T705-Q709 PolarHBondContact O-N 3.25Å
706I79.5Confident74.4Confident0 Ų033 Ų330%016%0.16CC..Hα-helixtrans-65.5-48.5174.7-65162.7000110.3L638 V641 A642 L686 L702 A703 M704 R708 Q709 L710L638-I706 HydrophobicContact CB-CD1 4.37Å; L638-I706 HydrophobicContact CD2-CD1 3.78Å; V641-I706 HydrophobicContact CB-CD1 3.94Å; V641-I706 HydrophobicContact CG1-CD1 3.82Å; V641-I706 HydrophobicContact CG1-CG1 4.13Å; V641-I706 HydrophobicContact CG1-CG2 4.01Å; A642-I706 HydrophobicContact CB-CD1 4.39Å; A642-I706 HydrophobicContact CB-CG1 3.84Å; L686-I706 HydrophobicContact CD1-CB 4.37Å; L686-I706 HydrophobicContact CD1-CG2 3.89Å; L686-I706 HydrophobicContact CD2-CD1 4.49Å; L702-I706 VanDerWaalsContact O-CG1 3.32Å; L702-I706 WeakPolarHBondContact O-CG1 3.33Å; L702-I706 PolarHBondContact O-N 3.2Å; A703-I706 PolarHBondContact O-N 3.49Å; M704-I706 VanDerWaalsContact C-N 3.33Å; M704-I706 PolarHBondContact O-N 3.49Å; I706-R708 VanDerWaalsContact C-N 3.29Å; I706-R708 PolarHBondContact O-N 3.35Å; I706-Q709 PolarHBondContact O-N 3.24Å; I706-Q709 VanDerWaalsContact O-N 3.11Å; I706-L710 HydrophobicContact CG2-CD1 3.96Å; I706-L710 HydrophobicContact CG2-CG 4.25Å; I706-L710 WeakPolarHBondContact O-CG 3.46Å; I706-L710 PolarHBondContact O-N 2.74Å
707L79Confident73.4Confident7 Ų739.7 Ų39.74%0.03718%0.182CC..Hα-helixtrans-57.3-41.7178.5-74.1176.4000112.3L683 L686 I690 A703 M704 Q709 L710 Q711L683-L707 HydrophobicContact CD2-CD2 3.77Å; L686-L707 HydrophobicContact CB-CD1 4.32Å; L686-L707 HydrophobicContact CB-CD2 4.24Å; L686-L707 HydrophobicContact CB-CG 4.23Å; L686-L707 HydrophobicContact CD1-CD2 3.74Å; L686-L707 HydrophobicContact CD1-CG 3.96Å; I690-L707 HydrophobicContact CD1-CD1 3.56Å; A703-L707 WeakPolarHBondContact O-CG 3.32Å; A703-L707 PolarHBondContact O-N 3.33Å; M704-L707 PolarHBondContact O-N 2.95Å; M704-L707 HydrophobicContact SD-CD1 3.95Å; L707-Q709 PolarHBondContact O-N 3.47Å; L707-L710 PolarHBondContact O-N 2.74Å; L707-Q711 PolarHBondContact O-N 3.23Å
708R77.1Confident72.3Confident23 Ų2346.3 Ų46.39%0.08721%0.206CC..Hα-helixtrans-61.1-42.8175.4-170.6-178.872.7-174.62.6112.6M704 I706 Q711 N774 F778 E781M704-R708 WeakPolarHBondContact O-CB 3.36Å; M704-R708 PolarHBondContact O-N 2.97Å; I706-R708 VanDerWaalsContact C-N 3.29Å; I706-R708 PolarHBondContact O-N 3.35Å; R708-Q711 WeakPolarHBondContact O-CB 3.34Å; R708-Q711 PolarHBondContact O-N 3.23Å; R708-N774 PolarHBondContact NH1-OD1 3Å; R708-N774 VanDerWaalsContact NH1-OD1 3.12Å; R708-F778 HydrophobicContact CB-CB 4.46Å; R708-F778 HydrophobicContact CB-CD2 4.43Å; R708-F778 HydrophobicContact CG-CB 4.43Å; R708-E781 WeakPolarHBondContact CG-OE2 2.88Å
709Q73.2Confident71Confident33 Ų3346.2 Ų46.215%0.15421%0.206CC..Hα-helixtrans-71-37.3-179.8-71.9166.919.800112.7A642 M645 T705 I706 L707 Q711 H712A642-Q709 PolarHBondContact O-OE1 3.4Å; M645-Q709 HydrophobicContact CB-CB 4.23Å; T705-Q709 WeakPolarHBondContact O-CG 3.14Å; T705-Q709 PolarHBondContact O-N 3.25Å; I706-Q709 PolarHBondContact O-N 3.24Å; I706-Q709 VanDerWaalsContact O-N 3.11Å; L707-Q709 PolarHBondContact O-N 3.47Å; Q709-Q711 PolarHBondContact O-N 2.94Å; Q709-H712 PolarHBondContact O-N 2.98Å
710L72.4Confident69.1Low2 Ų246.9 Ų46.91%0.0121%0.21CC..Hα-helixtrans-59.1-32.4175.8-69.6172.4000111.1M645 L677 L683 I706 L707 H712 T713 N716M645-L710 HydrophobicContact SD-CD2 3.87Å; L677-L710 HydrophobicContact CB-CD2 3.72Å; L677-L710 HydrophobicContact CD1-CD2 4.32Å; L683-L710 HydrophobicContact CD2-CD1 3.92Å; I706-L710 HydrophobicContact CG2-CD1 3.96Å; I706-L710 HydrophobicContact CG2-CG 4.25Å; I706-L710 WeakPolarHBondContact O-CG 3.46Å; I706-L710 PolarHBondContact O-N 2.74Å; L707-L710 PolarHBondContact O-N 2.74Å; L710-H712 PolarHBondContact O-N 3.28Å; L710-T713 WeakPolarHBondContact O-CB 3.1Å; L710-T713 PolarHBondContact O-N 3.26Å; L710-T713 PolarHBondContact O-OG1 2.91Å; L710-N716 VanDerWaalsContact C-ND2 3.26Å; L710-N716 PolarHBondContact O-ND2 2.71Å
711Q68Low67.5Low32 Ų3251.1 Ų51.115%0.1523%0.228CC..THydrogen-bonded Turntrans-51.2-32.2-177.9-151.2-156-69.200114.5L707 R708 Q709 N716 F778 E781 S782L707-Q711 PolarHBondContact O-N 3.23Å; R708-Q711 WeakPolarHBondContact O-CB 3.34Å; R708-Q711 PolarHBondContact O-N 3.23Å; Q709-Q711 PolarHBondContact O-N 2.94Å; Q711-N716 WeakPolarHBondContact CA-ND2 3.49Å; Q711-N716 PolarHBondContact N-ND2 2.91Å; Q711-N716 PolarHBondContact O-ND2 3.19Å; Q711-F778 HydrophobicContact CB-CE2 4.38Å; Q711-F778 HydrophobicContact CG-CE2 4.15Å; Q711-F778 PolarHBondContact OE1-O 3.24Å; Q711-E781 PolarHBondContact NE2-O 3.33Å; Q711-S782 PolarHBondContact OE1-OG 2.94Å
712H64.1Low66Low118 Ų11852.6 Ų52.655%0.54624%0.236SC..THydrogen-bonded Turntrans-89.4-0.1-175.2-60.7-74.1000114.4Q709 L710 E781Q709-H712 PolarHBondContact O-N 2.98Å; L710-H712 PolarHBondContact O-N 3.28Å; H712-E781 IonicContact CD2-OE2 3.62Å; H712-E781 IonicContact CE1-OE2 3.23Å; H712-E781 IonicContact NE2-OE2 3.28Å; H712-E781 PolarHBondContact NE2-OE2 3.17Å
713T62.7Low64.2Low34 Ų3453.8 Ų53.821%0.20924%0.244CC..SBendtrans-77.7140.2-178.659.90000112.2A674 L710 E715 N716A674-T713 HydrophobicContact CB-CG2 4.11Å; L710-T713 WeakPolarHBondContact O-CB 3.1Å; L710-T713 PolarHBondContact O-N 3.26Å; L710-T713 PolarHBondContact O-OG1 2.91Å; T713-E715 PolarHBondContact O-N 3.31Å; T713-N716 WeakPolarHBondContact O-CB 3.28Å; T713-N716 PolarHBondContact O-N 3.41Å; T713-N716 PolarHBondContact OG1-OD1 3.45Å
714E56.2Low62.3Low196 Ų19656 Ų5692%0.91626%0.255SS*.THydrogen-bonded Turntrans-61-19.6-174.6-66.3-173.6171.500114.3N716E714-N716 VanDerWaalsContact C-N 3.34Å
715E55.4Low60.7Low80 Ų8061.2 Ų61.237%0.37429%0.292SS..THydrogen-bonded Turntrans-82.8-10.2178.4-63.5-170169.500113.4A675 T713 R717A675-E715 WeakPolarHBondContact CA-OE2 3.46Å; A675-E715 WeakPolarHBondContact CB-OE2 3.28Å; A675-E715 PolarHBondContact N-OE2 2.96Å; A675-E715 VanDerWaalsContact N-OE2 3.15Å; T713-E715 PolarHBondContact O-N 3.31Å; E715-R717 VanDerWaalsContact C-N 3.27Å; E715-R717 PolarHBondContact O-N 3.1Å
716N56.7Low59Low38 Ų3863.4 Ų63.420%0.20331%0.312CS..  trans-71.777.3176.7-82.313.7000113L710 Q711 T713 E714 I719L710-N716 VanDerWaalsContact C-ND2 3.26Å; L710-N716 PolarHBondContact O-ND2 2.71Å; Q711-N716 WeakPolarHBondContact CA-ND2 3.49Å; Q711-N716 PolarHBondContact N-ND2 2.91Å; Q711-N716 PolarHBondContact O-ND2 3.19Å; T713-N716 WeakPolarHBondContact O-CB 3.28Å; T713-N716 PolarHBondContact O-N 3.41Å; T713-N716 PolarHBondContact OG1-OD1 3.45Å; E714-N716 VanDerWaalsContact C-N 3.34Å; N716-I719 HydrophobicContact CB-CB 4.32Å; N716-I719 HydrophobicContact CB-CD1 4.44Å; N716-I719 VanDerWaalsContact OD1-CB 3.27Å; N716-I719 WeakPolarHBondContact OD1-CB 3.07Å; N716-I719 WeakPolarHBondContact OD1-CD1 3.42Å; N716-I719 VanDerWaalsContact OD1-CG2 3.22Å; N716-I719 WeakPolarHBondContact OD1-CG2 3.35Å
717R51.9Low57.4Low206 Ų20672.4 Ų72.478%0.77735%0.351SS*.SBendtrans-76.7-28.3171.7-67.3-175.2175.4178-1.3112.1E715E715-R717 VanDerWaalsContact C-N 3.27Å; E715-R717 PolarHBondContact O-N 3.1Å
718W54Low56.2Low149 Ų14981.4 Ų81.456%0.56439%0.393SS*.SBendtrans-16720.4179.817.1-88.6000113.7T720 F721 L722W718-T720 PolarHBondContact O-N 3.34Å; W718-F721 HydrophobicContact CD2-CB 4.45Å; W718-F721 HydrophobicContact CE3-CB 3.58Å; W718-F721 VanDerWaalsContact CE3-N 3.34Å; W718-F721 HydrophobicContact CZ3-CB 3.99Å; W718-F721 WeakPolarHBondContact O-CA 3.48Å; W718-F721 PolarHBondContact O-N 3.23Å; W718-L722 PolarHBondContact O-N 2.97Å
719I55.9Low55.2Low29 Ų2985.6 Ų85.615%0.14942%0.417CS..THydrogen-bonded Turntrans-53.863.3-136.9-111.9161.4000120.4C678 L683 N716 L722C678-I719 HydrophobicContact CB-CD1 3.24Å; C678-I719 HydrophobicContact CB-CG1 3.99Å; C678-I719 HydrophobicContact CB-CG2 4.21Å; L683-I719 HydrophobicContact CD1-CG2 3.88Å; L683-I719 VanDerWaalsContact CD1-O 3.3Å; L683-I719 WeakPolarHBondContact CD1-O 3.44Å; L683-I719 HydrophobicContact CD2-CG2 4.47Å; N716-I719 HydrophobicContact CB-CB 4.32Å; N716-I719 HydrophobicContact CB-CD1 4.44Å; N716-I719 VanDerWaalsContact OD1-CB 3.27Å; N716-I719 WeakPolarHBondContact OD1-CB 3.07Å; N716-I719 WeakPolarHBondContact OD1-CD1 3.42Å; N716-I719 VanDerWaalsContact OD1-CG2 3.22Å; N716-I719 WeakPolarHBondContact OD1-CG2 3.35Å; I719-L722 WeakPolarHBondContact O-CD1 3.44Å; I719-L722 WeakPolarHBondContact O-CG 3.33Å
720T43.9Very low54.2Low19 Ų1986 Ų8612%0.11742%0.422CS..THydrogen-bonded Turn-164.331104.8-20.30000106.6Q680 L683 W718 L722 C723 L724Q680-T720 HydrophobicContact CB-CG2 3.69Å; Q680-T720 HydrophobicContact CG-CG2 3.65Å; L683-T720 HydrophobicContact CD1-CG2 4.05Å; L683-T720 VanDerWaalsContact CD1-OG1 3.3Å; L683-T720 WeakPolarHBondContact CD1-OG1 3.43Å; W718-T720 PolarHBondContact O-N 3.34Å; T720-L722 VanDerWaalsContact CA-CA 3.48Å; T720-L722 VanDerWaalsContact CB-CA 3.43Å; T720-L722 WeakPolarHBondContact CB-O 2.65Å; T720-L722 VanDerWaalsContact N-CG 3.35Å; T720-L722 VanDerWaalsContact N-N 3.1Å; T720-L722 CarbonylContact O-C 3.59Å; T720-L722 WeakPolarHBondContact O-CA 3.4Å; T720-L722 PolarHBondContact O-N 3.34Å; T720-L722 VanDerWaalsContact O-N 3.09Å; T720-L722 WeakPolarHBondContact OG1-CG 3.41Å; T720-L722 PolarHBondContact OG1-O 2.87Å; T720-C723 CarbonylContact O-C 2.92Å; T720-C723 PolarHBondContact O-N 3Å; T720-C723 VanDerWaalsContact O-N 3.13Å; T720-L724 PolarHBondContact O-N 3.37Å
721F48.6Very low53.6Low90 Ų9092.4 Ų92.440%0.39545%0.452SS..THydrogen-bonded Turntrans57.227.5-151-177.9-122.9000101.7W718 C723 L724W718-F721 HydrophobicContact CD2-CB 4.45Å; W718-F721 HydrophobicContact CE3-CB 3.58Å; W718-F721 VanDerWaalsContact CE3-N 3.34Å; W718-F721 HydrophobicContact CZ3-CB 3.99Å; W718-F721 WeakPolarHBondContact O-CA 3.48Å; W718-F721 PolarHBondContact O-N 3.23Å; F721-C723 PolarHBondContact O-N 3.37Å; F721-L724 VanDerWaalsContact C-CB 3.42Å; F721-L724 VanDerWaalsContact C-CD1 3.41Å; F721-L724 VanDerWaalsContact CA-CD1 3.47Å; F721-L724 HydrophobicContact CB-CB 3.49Å; F721-L724 VanDerWaalsContact CB-CB 3.49Å; F721-L724 HydrophobicContact CB-CD1 3.57Å; F721-L724 HydrophobicContact CB-CG 3.83Å; F721-L724 HydrophobicContact CD1-CB 2.91Å; F721-L724 HydrophobicContact CD1-CD1 3.8Å; F721-L724 HydrophobicContact CD1-CD2 4.5Å; F721-L724 HydrophobicContact CD1-CG 3.13Å; F721-L724 WeakPolarHBondContact CD1-O 2.9Å; F721-L724 HydrophobicContact CD2-CB 3.89Å; F721-L724 HydrophobicContact CD2-CD1 2.91Å; F721-L724 HydrophobicContact CD2-CD2 4.48Å; F721-L724 HydrophobicContact CD2-CG 3.22Å; F721-L724 HydrophobicContact CE1-CB 3.42Å; F721-L724 VanDerWaalsContact CE1-CB 3.42Å; F721-L724 HydrophobicContact CE1-CD1 4.18Å; F721-L724 HydrophobicContact CE1-CD2 4.32Å; F721-L724 HydrophobicContact CE1-CG 3.26Å; F721-L724 WeakPolarHBondContact CE1-O 3.23Å; F721-L724 HydrophobicContact CE2-CB 4.3Å; F721-L724 HydrophobicContact CE2-CD1 3.39Å; F721-L724 HydrophobicContact CE2-CD2 4.29Å; F721-L724 HydrophobicContact CE2-CG 3.35Å; F721-L724 HydrophobicContact CG-CB 3.1Å; F721-L724 HydrophobicContact CG-CD1 3.07Å; F721-L724 HydrophobicContact CG-CD2 4.5Å; F721-L724 HydrophobicContact CG-CG 3.03Å; F721-L724 HydrophobicContact CZ-CB 4.09Å; F721-L724 HydrophobicContact CZ-CD1 4Å; F721-L724 HydrophobicContact CZ-CD2 4.2Å; F721-L724 HydrophobicContact CZ-CG 3.36Å; F721-L724 WeakPolarHBondContact O-CB 3.41Å; F721-L724 WeakPolarHBondContact O-CD1 2.95Å; F721-L724 VanDerWaalsContact O-CG 3.23Å; F721-L724 WeakPolarHBondContact O-CG 3.4Å; F721-L724 PolarHBondContact O-N 3.06Å
722L53.5Low53.2Low31 Ų3195.4 Ų95.416%0.16247%0.469CS..THydrogen-bonded Turntrans11.5-15-130.7-102.5112.4000128.1W718 I719 T720 V805W718-L722 PolarHBondContact O-N 2.97Å; I719-L722 WeakPolarHBondContact O-CD1 3.44Å; I719-L722 WeakPolarHBondContact O-CG 3.33Å; T720-L722 VanDerWaalsContact CA-CA 3.48Å; T720-L722 VanDerWaalsContact CB-CA 3.43Å; T720-L722 WeakPolarHBondContact CB-O 2.65Å; T720-L722 VanDerWaalsContact N-CG 3.35Å; T720-L722 VanDerWaalsContact N-N 3.1Å; T720-L722 CarbonylContact O-C 3.59Å; T720-L722 WeakPolarHBondContact O-CA 3.4Å; T720-L722 PolarHBondContact O-N 3.34Å; T720-L722 VanDerWaalsContact O-N 3.09Å; T720-L722 WeakPolarHBondContact OG1-CG 3.41Å; T720-L722 PolarHBondContact OG1-O 2.87Å; L722-V805 HydrophobicContact CB-CG1 3.84Å; L722-V805 HydrophobicContact CB-CG2 4.04Å; L722-V805 HydrophobicContact CD1-CB 4.16Å; L722-V805 HydrophobicContact CD1-CG1 3.86Å; L722-V805 HydrophobicContact CD1-CG2 3.24Å; L722-V805 HydrophobicContact CG-CG1 4.21Å; L722-V805 HydrophobicContact CG-CG2 4.2Å
723C46.5Very low52.9Low27 Ų2790.9 Ų90.918%0.18245%0.451CS..THydrogen-bonded Turntrans-151.410.3153.8-96.90000112.4T720 F721T720-C723 CarbonylContact O-C 2.92Å; T720-C723 PolarHBondContact O-N 3Å; T720-C723 VanDerWaalsContact O-N 3.13Å; F721-C723 PolarHBondContact O-N 3.37Å
724L44.1Very low52.8Low46 Ų4691.1 Ų91.124%0.24145%0.45CS..THydrogen-bonded Turn-78137.6-125.4166.6-170.1000111.1T720 F721 F808T720-L724 PolarHBondContact O-N 3.37Å; F721-L724 VanDerWaalsContact C-CB 3.42Å; F721-L724 VanDerWaalsContact C-CD1 3.41Å; F721-L724 VanDerWaalsContact CA-CD1 3.47Å; F721-L724 HydrophobicContact CB-CB 3.49Å; F721-L724 VanDerWaalsContact CB-CB 3.49Å; F721-L724 HydrophobicContact CB-CD1 3.57Å; F721-L724 HydrophobicContact CB-CG 3.83Å; F721-L724 HydrophobicContact CD1-CB 2.91Å; F721-L724 HydrophobicContact CD1-CD1 3.8Å; F721-L724 HydrophobicContact CD1-CD2 4.5Å; F721-L724 HydrophobicContact CD1-CG 3.13Å; F721-L724 WeakPolarHBondContact CD1-O 2.9Å; F721-L724 HydrophobicContact CD2-CB 3.89Å; F721-L724 HydrophobicContact CD2-CD1 2.91Å; F721-L724 HydrophobicContact CD2-CD2 4.48Å; F721-L724 HydrophobicContact CD2-CG 3.22Å; F721-L724 HydrophobicContact CE1-CB 3.42Å; F721-L724 VanDerWaalsContact CE1-CB 3.42Å; F721-L724 HydrophobicContact CE1-CD1 4.18Å; F721-L724 HydrophobicContact CE1-CD2 4.32Å; F721-L724 HydrophobicContact CE1-CG 3.26Å; F721-L724 WeakPolarHBondContact CE1-O 3.23Å; F721-L724 HydrophobicContact CE2-CB 4.3Å; F721-L724 HydrophobicContact CE2-CD1 3.39Å; F721-L724 HydrophobicContact CE2-CD2 4.29Å; F721-L724 HydrophobicContact CE2-CG 3.35Å; F721-L724 HydrophobicContact CG-CB 3.1Å; F721-L724 HydrophobicContact CG-CD1 3.07Å; F721-L724 HydrophobicContact CG-CD2 4.5Å; F721-L724 HydrophobicContact CG-CG 3.03Å; F721-L724 HydrophobicContact CZ-CB 4.09Å; F721-L724 HydrophobicContact CZ-CD1 4Å; F721-L724 HydrophobicContact CZ-CD2 4.2Å; F721-L724 HydrophobicContact CZ-CG 3.36Å; F721-L724 WeakPolarHBondContact O-CB 3.41Å; F721-L724 WeakPolarHBondContact O-CD1 2.95Å; F721-L724 VanDerWaalsContact O-CG 3.23Å; F721-L724 WeakPolarHBondContact O-CG 3.4Å; F721-L724 PolarHBondContact O-N 3.06Å; L724-F808 HydrophobicContact CD2-CE2 4.44Å
725S50.3Low53.3Low110 Ų11083.9 Ų83.977%0.76942%0.416SS*.THydrogen-bonded Turntrans77.5-10.6-177.974.70000122.6
726A45.9Very low53.9Low62 Ų6280.9 Ų80.951%0.51240%0.403SS..SBendtrans-106.8-11.3-156.700000123.1
727K47.2Very low54.8Low188 Ų18879.5 Ų79.582%0.81740%0.395SS*.  trans-151.7156.8174-80.2-168.8178.4176.60113.5N729 V730K727-N729 VanDerWaalsContact C-N 3.26Å; K727-N729 PolarHBondContact O-N 2.81Å; K727-V730 WeakPolarHBondContact O-CG2 3.04Å
728E52.3Low55.8Low197 Ų19769.7 Ų69.792%0.92136%0.358SS*.THydrogen-bonded Turntrans-58.6-16-167.9-69.5176.5157.800116.9
729N56.1Low56.8Low110 Ų11066.8 Ų66.859%0.58835%0.354SS*.THydrogen-bonded Turntrans-100.817.9-170.1-64.40.9000115.3K727 Q731 D732 S733K727-N729 VanDerWaalsContact C-N 3.26Å; K727-N729 PolarHBondContact O-N 2.81Å; N729-Q731 PolarHBondContact O-N 3.41Å; N729-D732 PolarHBondContact O-N 3.28Å; N729-D732 VanDerWaalsContact O-N 3.14Å; N729-S733 PolarHBondContact O-N 3.22Å
730V53.4Low57.5Low42 Ų4265.9 Ų65.926%0.25535%0.351SS..Hα-helixtrans-60.3-33.2-177.9174.30000112.1K727 S733 L734 F808K727-V730 WeakPolarHBondContact O-CG2 3.04Å; V730-S733 PolarHBondContact O-N 3.09Å; V730-S733 PolarHBondContact O-OG 2.82Å; V730-L734 HydrophobicContact CG1-CD1 4.49Å; V730-L734 PolarHBondContact O-N 3.26Å; V730-F808 HydrophobicContact CG1-CE1 4.35Å; V730-F808 HydrophobicContact CG1-CZ 3.89Å
731Q58.2Low59Low136 Ų13665.3 Ų65.364%0.63635%0.347SS*.Hα-helixtrans-62.8-44.8176.3-70.2-172.7-20.600111.1N729 S733 L734 F735N729-Q731 PolarHBondContact O-N 3.41Å; Q731-S733 VanDerWaalsContact C-N 3.29Å; Q731-S733 PolarHBondContact O-N 3.45Å; Q731-L734 WeakPolarHBondContact O-CB 3.4Å; Q731-L734 PolarHBondContact O-N 3.03Å; Q731-F735 HydrophobicContact CB-CE2 3.9Å; Q731-F735 HydrophobicContact CB-CZ 4.33Å; Q731-F735 WeakPolarHBondContact O-CD2 3.31Å; Q731-F735 WeakPolarHBondContact O-CE2 3.4Å; Q731-F735 WeakPolarHBondContact O-CZ 3.33Å; Q731-F735 PolarHBondContact O-N 3.01Å
732D61Low59.9Low96 Ų9663.6 Ų63.651%0.51334%0.344SS..Hα-helixtrans-59.7-41.3178.1-60.2-24.7000111.5N729 L734 F735 T736N729-D732 PolarHBondContact O-N 3.28Å; N729-D732 VanDerWaalsContact O-N 3.14Å; D732-L734 VanDerWaalsContact C-N 3.27Å; D732-L734 PolarHBondContact O-N 2.76Å; D732-F735 PolarHBondContact O-N 3.29Å; D732-F735 VanDerWaalsContact O-N 3.14Å; D732-T736 WeakPolarHBondContact O-CG2 3.45Å; D732-T736 PolarHBondContact O-N 3.37Å
733S58.1Low60.1Low23 Ų2363.3 Ų63.316%0.16135%0.347CS..Hα-helixtrans-69.6-17176.768.70000114.9N729 V730 Q731 T736 F737N729-S733 PolarHBondContact O-N 3.22Å; V730-S733 PolarHBondContact O-N 3.09Å; V730-S733 PolarHBondContact O-OG 2.82Å; Q731-S733 VanDerWaalsContact C-N 3.29Å; Q731-S733 PolarHBondContact O-N 3.45Å; S733-T736 PolarHBondContact O-OG1 3.01Å; S733-F737 WeakPolarHBondContact O-CD2 3.23Å
734L59.7Low60.6Low39 Ų3969.7 Ų69.720%0.20438%0.379CS..Hα-helixtrans-79.9-34.2170.6-76.3165.7000111V730 Q731 D732 T736 A738 F808 L809V730-L734 HydrophobicContact CG1-CD1 4.49Å; V730-L734 PolarHBondContact O-N 3.26Å; Q731-L734 WeakPolarHBondContact O-CB 3.4Å; Q731-L734 PolarHBondContact O-N 3.03Å; D732-L734 VanDerWaalsContact C-N 3.27Å; D732-L734 PolarHBondContact O-N 2.76Å; L734-T736 PolarHBondContact O-N 3.32Å; L734-A738 PolarHBondContact O-N 3.29Å; L734-F808 HydrophobicContact CD1-CE1 4.17Å; L734-F808 HydrophobicContact CD1-CZ 4Å; L734-F808 HydrophobicContact CD2-CD1 3.93Å; L734-F808 HydrophobicContact CD2-CE1 3.68Å; L734-F808 HydrophobicContact CD2-CZ 4.3Å; L734-F808 HydrophobicContact CG-CE1 4.14Å; L734-F808 HydrophobicContact CG-CZ 4.46Å; L734-L809 HydrophobicContact CD2-CD2 3.7Å
735F66.3Low61.3Low44 Ų4473.8 Ų73.819%0.19340%0.397CS..Hα-helixtrans-68.9-24175.5-59-45.9000113Q731 D732 F737 A738 N739 P831 K832Q731-F735 HydrophobicContact CB-CE2 3.9Å; Q731-F735 HydrophobicContact CB-CZ 4.33Å; Q731-F735 WeakPolarHBondContact O-CD2 3.31Å; Q731-F735 WeakPolarHBondContact O-CE2 3.4Å; Q731-F735 WeakPolarHBondContact O-CZ 3.33Å; Q731-F735 PolarHBondContact O-N 3.01Å; D732-F735 PolarHBondContact O-N 3.29Å; D732-F735 VanDerWaalsContact O-N 3.14Å; F735-F737 PolarHBondContact O-N 3.32Å; F735-A738 PolarHBondContact O-N 3.14Å; F735-N739 WeakPolarHBondContact O-CB 3.21Å; F735-N739 PolarHBondContact O-N 3.23Å; F735-N739 PolarHBondContact O-ND2 3.2Å; F735-N739 PolarHBondContact O-OD1 3.05Å; F735-P831 HydrophobicContact CD1-CB 3.94Å; F735-P831 HydrophobicContact CE1-CB 2.91Å; F735-P831 HydrophobicContact CE1-CG 4.31Å; F735-P831 HydrophobicContact CE2-CB 3.76Å; F735-P831 HydrophobicContact CZ-CB 2.85Å; F735-P831 HydrophobicContact CZ-CG 4.01Å; F735-K832 WeakPolarHBondContact CD1-O 3.4Å
736T69.5Low61.5Low16 Ų1668.7 Ų68.710%0.09836%0.361CS..Hα-helixtrans-65.7-40.9-179.861.70000111.7S691 D732 S733 L734 G740S691-T736 VanDerWaalsContact CB-CG2 3.47Å; S691-T736 WeakPolarHBondContact OG-CG2 3.42Å; D732-T736 WeakPolarHBondContact O-CG2 3.45Å; D732-T736 PolarHBondContact O-N 3.37Å; S733-T736 PolarHBondContact O-OG1 3.01Å; L734-T736 PolarHBondContact O-N 3.32Å; T736-G740 PolarHBondContact O-N 3.4Å
737F75.5Confident62.1Low9 Ų969.1 Ų69.14%0.03935%0.353CS..Hα-helixtrans-70.5-37.1174-69.1-86.9000112.3V687 M704 S733 F735 L741 I775 L809 V834V687-F737 HydrophobicContact CG1-CE2 4.26Å; V687-F737 HydrophobicContact CG2-CZ 4.41Å; M704-F737 HydrophobicContact CE-CD1 4.21Å; M704-F737 HydrophobicContact CE-CE1 3.65Å; M704-F737 HydrophobicContact SD-CD1 4.42Å; M704-F737 HydrophobicContact SD-CE1 3.65Å; M704-F737 HydrophobicContact SD-CZ 4.44Å; S733-F737 WeakPolarHBondContact O-CD2 3.23Å; F735-F737 PolarHBondContact O-N 3.32Å; F737-L741 PolarHBondContact O-N 3.25Å; F737-I775 HydrophobicContact CD1-CG2 4.47Å; F737-L809 HydrophobicContact CD1-CD1 4.3Å; F737-L809 HydrophobicContact CD2-CD1 4.46Å; F737-L809 HydrophobicContact CD2-CD2 3.76Å; F737-L809 HydrophobicContact CE1-CD1 4.39Å; F737-L809 HydrophobicContact CE2-CD2 4.06Å; F737-L809 HydrophobicContact CG-CD1 4.33Å; F737-L809 HydrophobicContact CG-CD2 4.25Å; F737-V834 HydrophobicContact CB-CG2 3.93Å
738A72.6Confident62.5Low0 Ų060.9 Ų60.90%032%0.318CS..Hα-helixtrans-67.7-42.5176.600000111.9L734 F735 L741 T742 K832 S837L734-A738 PolarHBondContact O-N 3.29Å; F735-A738 PolarHBondContact O-N 3.14Å; A738-L741 PolarHBondContact O-N 3.49Å; A738-T742 WeakPolarHBondContact O-CG2 3.34Å; A738-T742 PolarHBondContact O-N 3.25Å; A738-K832 WeakPolarHBondContact CB-O 3.47Å; A738-S837 PolarHBondContact O-OG 3.37Å
739N74.1Confident62.5Low89 Ų8952.7 Ų52.748%0.47628%0.281SS..Hα-helixtrans-69.1-35.2175.7-68.7-9.6000111.5F735 L741 T742F735-N739 WeakPolarHBondContact O-CB 3.21Å; F735-N739 PolarHBondContact O-N 3.23Å; F735-N739 PolarHBondContact O-ND2 3.2Å; F735-N739 PolarHBondContact O-OD1 3.05Å; N739-L741 PolarHBondContact O-N 3.39Å; N739-L741 VanDerWaalsContact O-N 3.15Å; N739-T742 WeakPolarHBondContact CA-OG1 3.23Å; N739-T742 PolarHBondContact O-N 3.2Å; N739-T742 VanDerWaalsContact O-N 3.11Å; N739-T742 PolarHBondContact O-OG1 2.62Å
740G71.8Confident62.1Low9 Ų953.6 Ų53.69%0.09329%0.291CS..THydrogen-bonded Turntrans-61.4-18.817300000113.6T736 C772T736-G740 PolarHBondContact O-N 3.4Å; G740-C772 PolarHBondContact O-SG 3.32Å
741L74.7Confident61.9Low7 Ų757.9 Ų57.94%0.03731%0.313CS..THydrogen-bonded Turntrans-97.7-13.9175.7-69.6167.6000113.7F737 A738 N739 A743 C772 I775 L776 V834 V838F737-L741 PolarHBondContact O-N 3.25Å; A738-L741 PolarHBondContact O-N 3.49Å; N739-L741 PolarHBondContact O-N 3.39Å; N739-L741 VanDerWaalsContact O-N 3.15Å; L741-A743 VanDerWaalsContact C-N 3.27Å; L741-A743 PolarHBondContact O-N 3.02Å; L741-C772 HydrophobicContact CD2-CB 4.21Å; L741-I775 HydrophobicContact CD1-CG2 4.01Å; L741-I775 HydrophobicContact CD2-CB 4.2Å; L741-I775 HydrophobicContact CD2-CG2 3.99Å; L741-I775 HydrophobicContact CG-CD1 4.42Å; L741-I775 HydrophobicContact CG-CG2 4.03Å; L741-L776 HydrophobicContact CD2-CD2 4.3Å; L741-L776 HydrophobicContact CD2-CG 4.08Å; L741-V834 HydrophobicContact CD1-CG1 3.8Å; L741-V838 HydrophobicContact CD1-CG2 4.14Å
742T67.1Low61.6Low54 Ų5455.2 Ų55.233%0.33130%0.299SS..  trans-87.832.3-175.554.10000113.9A738 N739 D744A738-T742 WeakPolarHBondContact O-CG2 3.34Å; A738-T742 PolarHBondContact O-N 3.25Å; N739-T742 WeakPolarHBondContact CA-OG1 3.23Å; N739-T742 PolarHBondContact O-N 3.2Å; N739-T742 VanDerWaalsContact O-N 3.11Å; N739-T742 PolarHBondContact O-OG1 2.62Å; T742-D744 PolarHBondContact O-N 3.48Å; T742-D744 VanDerWaalsContact O-N 3.08Å
743A58.9Low61.2Low26 Ų2651.8 Ų51.822%0.21528%0.283CS..  trans-7997.5-176.400000111.5L741 Q745 A746 R768L741-A743 VanDerWaalsContact C-N 3.27Å; L741-A743 PolarHBondContact O-N 3.02Å; A743-Q745 PolarHBondContact O-N 3.48Å; A743-A746 HydrophobicContact CB-CB 4.05Å; A743-A746 PolarHBondContact O-N 2.86Å; A743-R768 HydrophobicContact CB-CB 4.45Å
744D57Low60.9Low161 Ų16153.1 Ų53.186%0.86129%0.288SS*.THydrogen-bonded Turntrans-55.4-2.7173-73.1-21.6000114.5T742T742-D744 PolarHBondContact O-N 3.48Å; T742-D744 VanDerWaalsContact O-N 3.08Å
745Q56.9Low60.9Low132 Ų13255.3 Ų55.362%0.61730%0.3SS*.THydrogen-bonded Turntrans-148.738.7-175.6-58.7-175.6-300113A743 V765A743-Q745 PolarHBondContact O-N 3.48Å; Q745-V765 WeakPolarHBondContact O-CG1 3.27Å
746A56.3Low60.6Low2 Ų253.6 Ų53.62%0.01729%0.292CS..  trans-78140.1171.800000111.5A743 F855A743-A746 HydrophobicContact CB-CB 4.05Å; A743-A746 PolarHBondContact O-N 2.86Å; A746-F855 VanDerWaalsContact C-CE1 3.5Å; A746-F855 HydrophobicContact CB-CD1 4.07Å; A746-F855 HydrophobicContact CB-CE1 3.69Å; A746-F855 WeakPolarHBondContact O-CD1 3.48Å; A746-F855 WeakPolarHBondContact O-CE1 3.44Å; A746-F855 WeakPolarHBondContact O-CZ 3.42Å
747E56.7Low60.2Low71 Ų7156.4 Ų56.433%0.33231%0.305SS..  trans-122.2134.9166.1-65179.6-170.900106.8V765 E766 K854E747-V765 HydrophobicContact CB-CG1 3.61Å; E747-V765 HydrophobicContact CG-CG1 3.4Å; E747-V765 VanDerWaalsContact CG-CG1 3.4Å; E747-V765 PolarHBondContact N-O 3.42Å; E747-E766 VanDerWaalsContact O-CA 3.29Å; E747-E766 WeakPolarHBondContact O-CA 3.31Å; E747-K854 HydrophobicContact CB-CB 4.46Å; E747-K854 HydrophobicContact CG-CB 4.07Å; E747-K854 HydrophobicContact CG-CD 3.61Å; E747-K854 VanDerWaalsContact OE1-CD 3.27Å; E747-K854 WeakPolarHBondContact OE1-CD 3.29Å; E747-K854 IonicContact OE1-NZ 3.87Å; E747-K854 PolarHBondContact OE1-NZ 3.33Å; E747-K854 WeakPolarHBondContact OE2-CD 3.37Å; E747-K854 IonicContact OE2-NZ 2.77Å; E747-K854 PolarHBondContact OE2-NZ 3.34Å
748I56.8Low59.5Low16 Ų1659.3 Ų59.38%0.08232%0.32CS..  trans-102.3120169.8-65.8-160.2000107.9T750 F752 W773 K854 L858I748-T750 PolarHBondContact O-N 3.42Å; I748-F752 HydrophobicContact CD1-CZ 4.31Å; I748-F752 HydrophobicContact CG2-CE1 3.92Å; I748-F752 HydrophobicContact CG2-CE2 3.72Å; I748-F752 HydrophobicContact CG2-CZ 3.35Å; I748-W773 HydrophobicContact CD1-CB 4.01Å; I748-K854 PolarHBondContact N-O 3.19Å; I748-L858 HydrophobicContact CD1-CB 4.48Å; I748-L858 HydrophobicContact CD1-CD1 4.2Å; I748-L858 HydrophobicContact CD1-CD2 3.44Å; I748-L858 VanDerWaalsContact CD1-CD2 3.44Å; I748-L858 HydrophobicContact CD1-CG 3.37Å; I748-L858 HydrophobicContact CG1-CD1 4.43Å; I748-L858 HydrophobicContact CG1-CD2 4.45Å; I748-L858 HydrophobicContact CG1-CG 4.06Å
749P51.6Low59Low24 Ų2459.9 Ų59.916%0.15632%0.323CS..  trans-65.2133.9173.122.7-25.8000109.3N751 K762 E766P749-N751 PolarHBondContact O-N 3.33Å; P749-K762 HydrophobicContact CG-CD 4.21Å; P749-E766 WeakPolarHBondContact CB-OE1 3.39Å; P749-E766 HydrophobicContact CG-CB 4.48Å; P749-E766 HydrophobicContact CG-CG 4.22Å
750T49.2Very low58.6Low130 Ų13057.6 Ų57.680%0.79831%0.314SS*.SBendtrans-54.5-23.7177.2500000113.1I748 F752I748-T750 PolarHBondContact O-N 3.42Å; T750-F752 PolarHBondContact O-N 2.95Å
751N48.5Very low58.4Low132 Ų13262.6 Ų62.671%0.70634%0.343SS*.SBendtrans-89.189.4172.8-71.8-22.8000111.3P749 S753P749-N751 PolarHBondContact O-N 3.33Å; N751-S753 PolarHBondContact O-N 3.44Å
752F52.4Low58.2Low79 Ų7963.3 Ų63.335%0.34635%0.346SS..  trans-70.2107.5166.1-78-89.7000109.7I748 T750 W773I748-F752 HydrophobicContact CD1-CZ 4.31Å; I748-F752 HydrophobicContact CG2-CE1 3.92Å; I748-F752 HydrophobicContact CG2-CE2 3.72Å; I748-F752 HydrophobicContact CG2-CZ 3.35Å; T750-F752 PolarHBondContact O-N 2.95Å; F752-W773 HydrophobicContact CD1-CZ2 4.45Å; F752-W773 AromaticContact CE1-CD1 3.74Å; F752-W773 AromaticContact CE1-CD2 3.98Å; F752-W773 HydrophobicContact CE1-CD2 3.98Å; F752-W773 AromaticContact CE1-CE2 3.74Å; F752-W773 AromaticContact CE1-CG 3.99Å; F752-W773 HydrophobicContact CE1-CG 3.99Å; F752-W773 HydrophobicContact CE1-CZ2 4.32Å; F752-W773 AromaticContact CE1-NE1 3.57Å; F752-W773 AromaticContact CZ-NE1 3.99Å
753S51.8Low58.4Low25 Ų2563.5 Ų63.518%0.17535%0.349CS..  trans-124.9130.31561770000108.4N751 D755N751-S753 PolarHBondContact O-N 3.44Å; S753-D755 PolarHBondContact O-N 2.79Å; S753-D755 VanDerWaalsContact OG-CB 3.3Å; S753-D755 WeakPolarHBondContact OG-CB 3.37Å; S753-D755 PolarHBondContact OG-N 3.3Å; S753-D755 VanDerWaalsContact OG-N 3.08Å; S753-D755 PolarHBondContact OG-OD2 3.22Å
754N52.2Low59.2Low50 Ų5066 Ų6627%0.26736%0.362SS..  trans-78.75172.3-72.3-32.2000112.2I756N754-I756 PolarHBondContact O-N 2.88Å; N754-I756 VanDerWaalsContact O-N 3.15Å
755D58.6Low59.9Low85 Ų8560.1 Ų60.146%0.45533%0.332SS..  trans-62.4116.4177.4-66.5-37.1000110.5S753 E757 I758 V759S753-D755 PolarHBondContact O-N 2.79Å; S753-D755 VanDerWaalsContact OG-CB 3.3Å; S753-D755 WeakPolarHBondContact OG-CB 3.37Å; S753-D755 PolarHBondContact OG-N 3.3Å; S753-D755 VanDerWaalsContact OG-N 3.08Å; S753-D755 PolarHBondContact OG-OD2 3.22Å; D755-E757 PolarHBondContact O-N 3.37Å; D755-I758 HydrophobicContact CB-CB 4.3Å; D755-I758 HydrophobicContact CB-CD1 3.87Å; D755-I758 HydrophobicContact CB-CG1 3.91Å; D755-I758 PolarHBondContact O-N 3.12Å; D755-V759 PolarHBondContact O-N 3.47Å; D755-V759 VanDerWaalsContact O-N 3.15Å
756I61Low60.6Low8 Ų856.2 Ų56.24%0.04131%0.314CS..Hα-helixtrans-52.4-30.3-176.7-66168.7000112.8K639 A642 L702 N754 S760K639-I756 HydrophobicContact CB-CG2 3.94Å; K639-I756 HydrophobicContact CD-CG2 4.07Å; K639-I756 HydrophobicContact CG-CG2 3.53Å; A642-I756 HydrophobicContact CB-CD1 3.73Å; L702-I756 HydrophobicContact CD2-CG2 3.99Å; N754-I756 PolarHBondContact O-N 2.88Å; N754-I756 VanDerWaalsContact O-N 3.15Å; I756-S760 PolarHBondContact O-N 2.92Å
757E60.1Low61.5Low76 Ų7656.6 Ų56.636%0.35532%0.315SS..Hα-helixtrans-75.8-39.1177-82.9-165.8173.800114.1R575 D755 V759 S760 T761R575-E757 IonicContact CZ-OE1 2.79Å; R575-E757 IonicContact CZ-OE2 4Å; R575-E757 IonicContact NH1-OE1 3.56Å; R575-E757 PolarHBondContact NH1-OE1 2.97Å; R575-E757 IonicContact NH1-OE2 3.96Å; R575-E757 PolarHBondContact NH1-OE2 3.37Å; R575-E757 IonicContact NH2-OE1 3.76Å; R575-E757 IonicContact NH2-OE2 3.23Å; R575-E757 PolarHBondContact NH2-OE2 3.2Å; D755-E757 PolarHBondContact O-N 3.37Å; E757-V759 PolarHBondContact O-N 3.24Å; E757-S760 PolarHBondContact O-N 2.96Å; E757-S760 VanDerWaalsContact O-N 3.09Å; E757-S760 PolarHBondContact O-OG 2.87Å; E757-T761 PolarHBondContact O-N 2.75Å
758I61Low62.4Low69 Ų6956.6 Ų56.635%0.35431%0.312SS..Hα-helixtrans-65.2-34.9176.6-59.1-179.6000109.1D755 S760 T761 K762D755-I758 HydrophobicContact CB-CB 4.3Å; D755-I758 HydrophobicContact CB-CD1 3.87Å; D755-I758 HydrophobicContact CB-CG1 3.91Å; D755-I758 PolarHBondContact O-N 3.12Å; I758-S760 VanDerWaalsContact C-N 3.33Å; I758-S760 PolarHBondContact O-N 3.34Å; I758-T761 PolarHBondContact O-N 3.47Å; I758-T761 PolarHBondContact O-OG1 2.89Å; I758-K762 WeakPolarHBondContact O-CG 3.37Å; I758-K762 PolarHBondContact O-N 2.82Å
759V62.8Low63.3Low12 Ų1255.8 Ų55.87%0.07331%0.308CS..Hα-helixtrans-58.2-45.2172.3-179.60000110.8L698 V701 D755 E757 T761 K762 L767 L770L698-V759 HydrophobicContact CD1-CG1 3.93Å; V701-V759 HydrophobicContact CG1-CG1 3.84Å; D755-V759 PolarHBondContact O-N 3.47Å; D755-V759 VanDerWaalsContact O-N 3.15Å; E757-V759 PolarHBondContact O-N 3.24Å; V759-T761 PolarHBondContact O-N 2.9Å; V759-K762 WeakPolarHBondContact O-CB 3.27Å; V759-K762 PolarHBondContact O-N 3.41Å; V759-L767 HydrophobicContact CG1-CD2 3.62Å; V759-L767 VanDerWaalsContact O-CD2 3.29Å; V759-L767 WeakPolarHBondContact O-CD2 3.21Å; V759-L770 HydrophobicContact CG1-CD1 4.13Å; V759-L770 HydrophobicContact CG2-CD1 4.13Å
760S65.4Low64.5Low42 Ų4254.9 Ų54.929%0.29430%0.302SS..Hα-helixtrans-70-13.7-179560000115.8K639 I756 E757 I758K639-S760 VanDerWaalsContact NZ-CB 3.3Å; K639-S760 PolarHBondContact NZ-OG 3.05Å; I756-S760 PolarHBondContact O-N 2.92Å; E757-S760 PolarHBondContact O-N 2.96Å; E757-S760 VanDerWaalsContact O-N 3.09Å; E757-S760 PolarHBondContact O-OG 2.87Å; I758-S760 VanDerWaalsContact C-N 3.33Å; I758-S760 PolarHBondContact O-N 3.34Å
761T67.2Low66Low113 Ų11348.9 Ų48.969%0.69327%0.265SS*.THydrogen-bonded Turntrans-93.8-7.4175.953.90000113.7E757 I758 V759E757-T761 PolarHBondContact O-N 2.75Å; I758-T761 PolarHBondContact O-N 3.47Å; I758-T761 PolarHBondContact O-OG1 2.89Å; V759-T761 PolarHBondContact O-N 2.9Å
762K70.7Confident67.5Low23 Ų2342.7 Ų42.710%0.123%0.232CC..SBendtrans-76149.8-176.9-80.6175178-175.20112P749 I758 V759 E766 L767 L770P749-K762 HydrophobicContact CG-CD 4.21Å; I758-K762 WeakPolarHBondContact O-CG 3.37Å; I758-K762 PolarHBondContact O-N 2.82Å; V759-K762 WeakPolarHBondContact O-CB 3.27Å; V759-K762 PolarHBondContact O-N 3.41Å; K762-E766 HydrophobicContact CB-CB 3.87Å; K762-E766 HydrophobicContact CD-CB 4.28Å; K762-E766 HydrophobicContact CG-CB 4.2Å; K762-L767 HydrophobicContact CB-CD2 4.3Å; K762-L767 HydrophobicContact CB-CG 4.22Å; K762-L770 HydrophobicContact CD-CD1 3.46Å; K762-L770 VanDerWaalsContact CD-CD1 3.46Å; K762-L770 HydrophobicContact CD-CG 4.41Å
763S71.9Confident68.9Low57 Ų5740.4 Ų40.440%0.39922%0.221SC..  trans-63.3158.8174.564.30000111.5V765 E766 L767S763-V765 PolarHBondContact O-N 3.32Å; S763-E766 PolarHBondContact N-OE2 3.3Å; S763-E766 PolarHBondContact O-N 3.28Å; S763-E766 VanDerWaalsContact O-N 3.08Å; S763-E766 VanDerWaalsContact OG-CG 3.23Å; S763-E766 WeakPolarHBondContact OG-CG 3.4Å; S763-E766 PolarHBondContact OG-N 3.31Å; S763-E766 PolarHBondContact OG-OE2 2.98Å; S763-L767 WeakPolarHBondContact O-CG 3.46Å; S763-L767 PolarHBondContact O-N 3.11Å
764V75Confident70.2Confident78 Ų7839.5 Ų39.547%0.47321%0.214SC..Hα-helixtrans-53.9-38.7177.21680000111.7P697 L767 R768P697-V764 HydrophobicContact CG-CB 4.46Å; P697-V764 HydrophobicContact CG-CG1 4.13Å; P697-V764 HydrophobicContact CG-CG2 4.28Å; V764-L767 PolarHBondContact O-N 3.41Å; V764-R768 WeakPolarHBondContact O-CG 3.46Å; V764-R768 PolarHBondContact O-N 2.95Å
765V71.7Confident71.7Confident39 Ų3937.1 Ų37.124%0.23620%0.202CC..Hα-helixtrans-65.5-43178.41680000111.6Q745 E747 S763 R768 G769Q745-V765 WeakPolarHBondContact O-CG1 3.27Å; E747-V765 HydrophobicContact CB-CG1 3.61Å; E747-V765 HydrophobicContact CG-CG1 3.4Å; E747-V765 VanDerWaalsContact CG-CG1 3.4Å; E747-V765 PolarHBondContact N-O 3.42Å; S763-V765 PolarHBondContact O-N 3.32Å; V765-R768 PolarHBondContact O-N 2.72Å; V765-G769 PolarHBondContact O-N 3.21Å; V765-G769 VanDerWaalsContact O-N 3.11Å
766E72.2Confident72.9Confident50 Ų5033.1 Ų33.123%0.23418%0.18CC..Hα-helixtrans-69.6-36.2175.2-70170.8123.600113E747 P749 K762 S763 R768 G769 L770E747-E766 VanDerWaalsContact O-CA 3.29Å; E747-E766 WeakPolarHBondContact O-CA 3.31Å; P749-E766 WeakPolarHBondContact CB-OE1 3.39Å; P749-E766 HydrophobicContact CG-CB 4.48Å; P749-E766 HydrophobicContact CG-CG 4.22Å; K762-E766 HydrophobicContact CB-CB 3.87Å; K762-E766 HydrophobicContact CD-CB 4.28Å; K762-E766 HydrophobicContact CG-CB 4.2Å; S763-E766 PolarHBondContact N-OE2 3.3Å; S763-E766 PolarHBondContact O-N 3.28Å; S763-E766 VanDerWaalsContact O-N 3.08Å; S763-E766 VanDerWaalsContact OG-CG 3.23Å; S763-E766 WeakPolarHBondContact OG-CG 3.4Å; S763-E766 PolarHBondContact OG-N 3.31Å; S763-E766 PolarHBondContact OG-OE2 2.98Å; E766-R768 VanDerWaalsContact C-N 3.34Å; E766-G769 PolarHBondContact O-N 3.42Å; E766-L770 WeakPolarHBondContact O-CG 3.42Å; E766-L770 PolarHBondContact O-N 3.45Å
767L75Confident73.9Confident10 Ų1033.8 Ų33.85%0.05218%0.183CC..Hα-helixtrans-64.5-39.5174.8-72.5172.1000111.3P697 L698 V701 V759 K762 S763 V764 L770 L771P697-L767 HydrophobicContact CB-CB 3.8Å; P697-L767 HydrophobicContact CB-CD1 4.33Å; P697-L767 HydrophobicContact CG-CB 4.13Å; P697-L767 HydrophobicContact CG-CD1 3.86Å; L698-L767 HydrophobicContact CB-CD1 4.02Å; L698-L767 HydrophobicContact CD1-CD2 4.08Å; V701-L767 HydrophobicContact CG2-CB 4.44Å; V701-L767 HydrophobicContact CG2-CD2 4.38Å; V701-L767 WeakPolarHBondContact CG2-O 3.19Å; V759-L767 HydrophobicContact CG1-CD2 3.62Å; V759-L767 VanDerWaalsContact O-CD2 3.29Å; V759-L767 WeakPolarHBondContact O-CD2 3.21Å; K762-L767 HydrophobicContact CB-CD2 4.3Å; K762-L767 HydrophobicContact CB-CG 4.22Å; S763-L767 WeakPolarHBondContact O-CG 3.46Å; S763-L767 PolarHBondContact O-N 3.11Å; V764-L767 PolarHBondContact O-N 3.41Å; L767-L770 PolarHBondContact O-N 3.32Å; L767-L771 PolarHBondContact O-N 3Å
768R76.4Confident74.9Confident70 Ų7030.5 Ų30.526%0.26417%0.168SC..Hα-helixtrans-63.4-42.3172.9-73.4179179.3-173.8-0.2111.6E694 P697 A743 V764 V765 E766 L770 L771 C772E694-R768 PolarHBondContact O-NH2 3.22Å; P697-R768 HydrophobicContact CB-CG 4.48Å; A743-R768 HydrophobicContact CB-CB 4.45Å; V764-R768 WeakPolarHBondContact O-CG 3.46Å; V764-R768 PolarHBondContact O-N 2.95Å; V765-R768 PolarHBondContact O-N 2.72Å; E766-R768 VanDerWaalsContact C-N 3.34Å; R768-L770 PolarHBondContact O-N 2.92Å; R768-L771 WeakPolarHBondContact O-CB 3.45Å; R768-L771 PolarHBondContact O-N 3.46Å; R768-C772 PolarHBondContact O-N 3.17Å; R768-C772 PolarHBondContact O-SG 2.84Å; R768-C772 VanDerWaalsContact O-SG 3.37Å
769G74.4Confident75.9Confident0 Ų027.2 Ų27.20%015%0.151CC..Hα-helixtrans-61-41.9173.300000113.5V765 E766 L771 C772 W773V765-G769 PolarHBondContact O-N 3.21Å; V765-G769 VanDerWaalsContact O-N 3.11Å; E766-G769 PolarHBondContact O-N 3.42Å; G769-L771 VanDerWaalsContact C-N 3.34Å; G769-L771 PolarHBondContact O-N 3.35Å; G769-C772 PolarHBondContact O-N 2.78Å; G769-W773 PolarHBondContact O-N 3.03Å
770L76.6Confident76.7Confident5 Ų526.7 Ų26.73%0.02615%0.147CC..Hα-helixtrans-65.1-35.1173.7-75.4177.6000112.9V701 V759 K762 E766 L767 R768 W773 N774V701-L770 HydrophobicContact CG1-CB 4.25Å; V701-L770 HydrophobicContact CG2-CB 4.37Å; V759-L770 HydrophobicContact CG1-CD1 4.13Å; V759-L770 HydrophobicContact CG2-CD1 4.13Å; K762-L770 HydrophobicContact CD-CD1 3.46Å; K762-L770 VanDerWaalsContact CD-CD1 3.46Å; K762-L770 HydrophobicContact CD-CG 4.41Å; E766-L770 WeakPolarHBondContact O-CG 3.42Å; E766-L770 PolarHBondContact O-N 3.45Å; L767-L770 PolarHBondContact O-N 3.32Å; R768-L770 PolarHBondContact O-N 2.92Å; L770-W773 PolarHBondContact O-N 3.44Å; L770-N774 WeakPolarHBondContact O-CB 3.44Å; L770-N774 PolarHBondContact O-N 2.92Å; L770-N774 PolarHBondContact O-ND2 3.2Å
771L81.5Confident77.1Confident3 Ų326.8 Ų26.82%0.01614%0.143CC..Hα-helixtrans-62.6-52174.9-177.566000110.1A693 V701 M704 L767 R768 G769 W773 N774 I775A693-L771 HydrophobicContact CB-CD2 3.45Å; A693-L771 VanDerWaalsContact CB-CD2 3.45Å; V701-L771 HydrophobicContact CG2-CB 3.86Å; V701-L771 HydrophobicContact CG2-CD1 4.41Å; M704-L771 HydrophobicContact CB-CD1 4.14Å; M704-L771 HydrophobicContact CG-CD1 3.5Å; L767-L771 PolarHBondContact O-N 3Å; R768-L771 WeakPolarHBondContact O-CB 3.45Å; R768-L771 PolarHBondContact O-N 3.46Å; G769-L771 VanDerWaalsContact C-N 3.34Å; G769-L771 PolarHBondContact O-N 3.35Å; L771-W773 VanDerWaalsContact C-N 3.28Å; L771-W773 PolarHBondContact O-N 3.34Å; L771-N774 PolarHBondContact O-N 3.04Å; L771-I775 HydrophobicContact CD1-CD1 4.34Å; L771-I775 HydrophobicContact CG-CD1 3.94Å; L771-I775 VanDerWaalsContact O-CG1 3.31Å; L771-I775 WeakPolarHBondContact O-CG1 3.37Å; L771-I775 PolarHBondContact O-N 3.37Å
772C80.2Confident77.4Confident2 Ų221.6 Ų21.61%0.01411%0.112CC..Hα-helixtrans-54-45.9176.2-65.40000111.5G740 L741 R768 G769 I775 L776 L858G740-C772 PolarHBondContact O-SG 3.32Å; L741-C772 HydrophobicContact CD2-CB 4.21Å; R768-C772 PolarHBondContact O-N 3.17Å; R768-C772 PolarHBondContact O-SG 2.84Å; R768-C772 VanDerWaalsContact O-SG 3.37Å; G769-C772 PolarHBondContact O-N 2.78Å; C772-I775 PolarHBondContact O-N 3Å; C772-L776 WeakPolarHBondContact O-CG 3.34Å; C772-L776 PolarHBondContact O-N 3.12Å; C772-L858 HydrophobicContact CB-CD1 3.9Å; C772-L858 HydrophobicContact CB-CD2 3.6Å; C772-L858 HydrophobicContact CB-CG 4.44Å
773W80.6Confident77.5Confident31 Ų3120.6 Ų20.612%0.11711%0.107CC..Hα-helixtrans-64.1-44.3179.2-177.487.3000112.3I748 F752 G769 L770 L771 I775 L776 Q777 L858I748-W773 HydrophobicContact CD1-CB 4.01Å; F752-W773 HydrophobicContact CD1-CZ2 4.45Å; F752-W773 AromaticContact CE1-CD1 3.74Å; F752-W773 AromaticContact CE1-CD2 3.98Å; F752-W773 HydrophobicContact CE1-CD2 3.98Å; F752-W773 AromaticContact CE1-CE2 3.74Å; F752-W773 AromaticContact CE1-CG 3.99Å; F752-W773 HydrophobicContact CE1-CG 3.99Å; F752-W773 HydrophobicContact CE1-CZ2 4.32Å; F752-W773 AromaticContact CE1-NE1 3.57Å; F752-W773 AromaticContact CZ-NE1 3.99Å; G769-W773 PolarHBondContact O-N 3.03Å; L770-W773 PolarHBondContact O-N 3.44Å; L771-W773 VanDerWaalsContact C-N 3.28Å; L771-W773 PolarHBondContact O-N 3.34Å; W773-I775 VanDerWaalsContact C-N 3.34Å; W773-I775 PolarHBondContact O-N 3.34Å; W773-L776 PolarHBondContact O-N 2.96Å; W773-Q777 HydrophobicContact CD2-CG 3.89Å; W773-Q777 HydrophobicContact CE3-CG 4.22Å; W773-Q777 HydrophobicContact CH2-CG 4.06Å; W773-Q777 HydrophobicContact CZ2-CG 3.68Å; W773-Q777 HydrophobicContact CZ3-CG 4.33Å; W773-Q777 WeakPolarHBondContact O-CB 3.42Å; W773-Q777 WeakPolarHBondContact O-CG 3.48Å; W773-Q777 PolarHBondContact O-N 3.19Å; W773-L858 HydrophobicContact CB-CD2 3.88Å
774N79.6Confident77.2Confident6 Ų619.5 Ų19.53%0.03210%0.101CC..Hα-helixtrans-64.3-37.4176.6-82.1-72000112.2M704 R708 L770 L771 F778M704-N774 HydrophobicContact CB-CB 4.09Å; R708-N774 PolarHBondContact NH1-OD1 3Å; R708-N774 VanDerWaalsContact NH1-OD1 3.12Å; L770-N774 WeakPolarHBondContact O-CB 3.44Å; L770-N774 PolarHBondContact O-N 2.92Å; L770-N774 PolarHBondContact O-ND2 3.2Å; L771-N774 PolarHBondContact O-N 3.04Å; N774-F778 VanDerWaalsContact O-CB 3.27Å; N774-F778 WeakPolarHBondContact O-CB 3.28Å; N774-F778 PolarHBondContact O-N 2.93Å
775I83.3Confident76.6Confident1 Ų119 Ų191%0.00510%0.102CC..Hα-helixtrans-61.6-50.7173.6-66.5165.1000110.1M704 F737 L741 L771 C772 W773 Q777 F778 L779M704-I775 HydrophobicContact CE-CB 4.34Å; M704-I775 HydrophobicContact CE-CG1 3.71Å; M704-I775 HydrophobicContact CG-CG1 4.23Å; M704-I775 HydrophobicContact SD-CG1 4.36Å; F737-I775 HydrophobicContact CD1-CG2 4.47Å; L741-I775 HydrophobicContact CD1-CG2 4.01Å; L741-I775 HydrophobicContact CD2-CB 4.2Å; L741-I775 HydrophobicContact CD2-CG2 3.99Å; L741-I775 HydrophobicContact CG-CD1 4.42Å; L741-I775 HydrophobicContact CG-CG2 4.03Å; L771-I775 HydrophobicContact CD1-CD1 4.34Å; L771-I775 HydrophobicContact CG-CD1 3.94Å; L771-I775 VanDerWaalsContact O-CG1 3.31Å; L771-I775 WeakPolarHBondContact O-CG1 3.37Å; L771-I775 PolarHBondContact O-N 3.37Å; C772-I775 PolarHBondContact O-N 3Å; W773-I775 VanDerWaalsContact C-N 3.34Å; W773-I775 PolarHBondContact O-N 3.34Å; I775-Q777 PolarHBondContact O-N 2.93Å; I775-F778 PolarHBondContact O-N 2.83Å; I775-L779 HydrophobicContact CG2-CD1 4.02Å; I775-L779 VanDerWaalsContact O-CG 3.27Å; I775-L779 WeakPolarHBondContact O-CG 3.16Å; I775-L779 PolarHBondContact O-N 3.44Å
776L83.7Confident75.9Confident0 Ų019.3 Ų19.30%010%0.104CC..Hα-helixtrans-63.1-39.3179.6-70.4172000112.5L741 C772 W773 L779 N780 V838 L858 P861 A862L741-L776 HydrophobicContact CD2-CD2 4.3Å; L741-L776 HydrophobicContact CD2-CG 4.08Å; C772-L776 WeakPolarHBondContact O-CG 3.34Å; C772-L776 PolarHBondContact O-N 3.12Å; W773-L776 PolarHBondContact O-N 2.96Å; L776-L779 PolarHBondContact O-N 2.72Å; L776-N780 WeakPolarHBondContact O-CB 3.08Å; L776-N780 PolarHBondContact O-N 3.5Å; L776-N780 PolarHBondContact O-ND2 2.8Å; L776-V838 HydrophobicContact CD2-CG2 3.91Å; L776-L858 HydrophobicContact CD1-CD2 4.08Å; L776-P861 HydrophobicContact CB-CB 3.76Å; L776-P861 HydrophobicContact CD1-CB 4.04Å; L776-P861 HydrophobicContact CG-CB 4.49Å; L776-A862 HydrophobicContact CD1-CB 4.34Å
777Q82.2Confident74.9Confident23 Ų2321.8 Ų21.811%0.10711%0.111CC..Hα-helixtrans-66.4-44.3175.7-70.8-61.5-14.200111.9W773 I775 L779 N780 E781W773-Q777 HydrophobicContact CD2-CG 3.89Å; W773-Q777 HydrophobicContact CE3-CG 4.22Å; W773-Q777 HydrophobicContact CH2-CG 4.06Å; W773-Q777 HydrophobicContact CZ2-CG 3.68Å; W773-Q777 HydrophobicContact CZ3-CG 4.33Å; W773-Q777 WeakPolarHBondContact O-CB 3.42Å; W773-Q777 WeakPolarHBondContact O-CG 3.48Å; W773-Q777 PolarHBondContact O-N 3.19Å; I775-Q777 PolarHBondContact O-N 2.93Å; Q777-L779 VanDerWaalsContact C-N 3.29Å; Q777-L779 PolarHBondContact O-N 3.15Å; Q777-N780 PolarHBondContact O-N 3.49Å; Q777-E781 WeakPolarHBondContact O-CB 3.43Å; Q777-E781 WeakPolarHBondContact O-CG 3.33Å; Q777-E781 PolarHBondContact O-N 2.95Å
778F81.1Confident73.5Confident7 Ų728 Ų283%0.03114%0.141CC..Hα-helixtrans-55.4-44.9174.6172.4-109.3000111.7M704 R708 Q711 N774 I775 S782 V805 L809M704-F778 HydrophobicContact CE-CB 4.31Å; M704-F778 HydrophobicContact CE-CD1 4.23Å; M704-F778 HydrophobicContact CE-CG 4.36Å; R708-F778 HydrophobicContact CB-CB 4.46Å; R708-F778 HydrophobicContact CB-CD2 4.43Å; R708-F778 HydrophobicContact CG-CB 4.43Å; Q711-F778 HydrophobicContact CB-CE2 4.38Å; Q711-F778 HydrophobicContact CG-CE2 4.15Å; Q711-F778 PolarHBondContact OE1-O 3.24Å; N774-F778 VanDerWaalsContact O-CB 3.27Å; N774-F778 WeakPolarHBondContact O-CB 3.28Å; N774-F778 PolarHBondContact O-N 2.93Å; I775-F778 PolarHBondContact O-N 2.83Å; F778-S782 WeakPolarHBondContact O-CB 3.36Å; F778-S782 PolarHBondContact O-N 3.34Å; F778-S782 PolarHBondContact O-OG 3.15Å; F778-V805 HydrophobicContact CE1-CG1 4.19Å; F778-V805 HydrophobicContact CZ-CG1 4.14Å; F778-L809 HydrophobicContact CE1-CD1 3.99Å
779L81.7Confident71.8Confident0 Ų030 Ų300%016%0.161CC..Hα-helixtrans-64.1-45177.2-67.1168.7000112.6I775 L776 Q777 S782 L783 A806 L809 V834 F865I775-L779 HydrophobicContact CG2-CD1 4.02Å; I775-L779 VanDerWaalsContact O-CG 3.27Å; I775-L779 WeakPolarHBondContact O-CG 3.16Å; I775-L779 PolarHBondContact O-N 3.44Å; L776-L779 PolarHBondContact O-N 2.72Å; Q777-L779 VanDerWaalsContact C-N 3.29Å; Q777-L779 PolarHBondContact O-N 3.15Å; L779-S782 WeakPolarHBondContact O-CB 2.68Å; L779-S782 PolarHBondContact O-N 3.44Å; L779-L783 WeakPolarHBondContact O-CG 3.11Å; L779-L783 PolarHBondContact O-N 3.47Å; L779-A806 HydrophobicContact CD2-CB 3.96Å; L779-L809 HydrophobicContact CD2-CB 4.19Å; L779-L809 HydrophobicContact CD2-CD1 3.97Å; L779-V834 HydrophobicContact CD1-CG1 3.54Å; L779-F865 HydrophobicContact CB-CD2 3.78Å; L779-F865 HydrophobicContact CB-CE2 3.69Å; L779-F865 HydrophobicContact CD1-CE2 4.25Å; L779-F865 HydrophobicContact CD1-CZ 4.32Å; L779-F865 HydrophobicContact CD2-CE2 4.39Å; L779-F865 HydrophobicContact CG-CE2 4.33Å
780N80.2Confident70Confident0 Ų033.2 Ų33.20%020%0.195CC..Hα-helixtrans-67.7-40.7179.8-82.5-59.4000113.1L776 Q777 S782 L783 A784 P861 F865 Q868L776-N780 WeakPolarHBondContact O-CB 3.08Å; L776-N780 PolarHBondContact O-N 3.5Å; L776-N780 PolarHBondContact O-ND2 2.8Å; Q777-N780 PolarHBondContact O-N 3.49Å; N780-S782 VanDerWaalsContact C-N 3.34Å; N780-L783 PolarHBondContact O-N 3.18Å; N780-A784 VanDerWaalsContact O-CB 3.31Å; N780-A784 WeakPolarHBondContact O-CB 3.11Å; N780-A784 PolarHBondContact O-N 2.87Å; N780-P861 PolarHBondContact ND2-O 3.02Å; N780-F865 WeakPolarHBondContact OD1-CA 3.47Å; N780-F865 PolarHBondContact OD1-N 3.12Å; N780-Q868 PolarHBondContact O-OE1 3.31Å; N780-Q868 VanDerWaalsContact O-OE1 3.1Å; N780-Q868 PolarHBondContact OD1-OE1 3.36Å
781E75Confident68.1Low45 Ų4540.1 Ų40.121%0.2123%0.23CC..Hα-helixtrans-65.6-40.9175-73173.9-16500110.4R708 Q711 H712 Q777 A784 S785R708-E781 WeakPolarHBondContact CG-OE2 2.88Å; Q711-E781 PolarHBondContact NE2-O 3.33Å; H712-E781 IonicContact CD2-OE2 3.62Å; H712-E781 IonicContact CE1-OE2 3.23Å; H712-E781 IonicContact NE2-OE2 3.28Å; H712-E781 PolarHBondContact NE2-OE2 3.17Å; Q777-E781 WeakPolarHBondContact O-CB 3.43Å; Q777-E781 WeakPolarHBondContact O-CG 3.33Å; Q777-E781 PolarHBondContact O-N 2.95Å; E781-A784 PolarHBondContact O-N 3.29Å; E781-S785 PolarHBondContact O-N 2.88Å
782S72.9Confident65.7Low4 Ų446.7 Ų46.73%0.02827%0.265CS..Hα-helixtrans-58.5-47.5175-76.20000111.7Q711 F778 L779 N780 S785 N804Q711-S782 PolarHBondContact OE1-OG 2.94Å; F778-S782 WeakPolarHBondContact O-CB 3.36Å; F778-S782 PolarHBondContact O-N 3.34Å; F778-S782 PolarHBondContact O-OG 3.15Å; L779-S782 WeakPolarHBondContact O-CB 2.68Å; L779-S782 PolarHBondContact O-N 3.44Å; N780-S782 VanDerWaalsContact C-N 3.34Å; S782-S785 PolarHBondContact O-OG 2.74Å; S782-N804 VanDerWaalsContact C-ND2 3.34Å; S782-N804 PolarHBondContact O-ND2 3.26Å
783L71.6Confident63.4Low2 Ų250.6 Ų50.61%0.0131%0.306CS..Hα-helixtrans-71.4-35.4178.6-71177000113.3L779 N780 S785 V786 A806 L807 F865 Q868 L869 L872L779-L783 WeakPolarHBondContact O-CG 3.11Å; L779-L783 PolarHBondContact O-N 3.47Å; N780-L783 PolarHBondContact O-N 3.18Å; L783-S785 VanDerWaalsContact C-N 3.28Å; L783-S785 PolarHBondContact O-N 2.88Å; L783-V786 WeakPolarHBondContact O-CB 3.4Å; L783-V786 PolarHBondContact O-N 3.4Å; L783-V786 VanDerWaalsContact O-N 3.16Å; L783-A806 HydrophobicContact CD1-CB 4.48Å; L783-A806 HydrophobicContact CD2-CB 3.86Å; L783-A806 HydrophobicContact CG-CB 3.72Å; L783-L807 HydrophobicContact CD2-CD2 3.78Å; L783-L807 HydrophobicContact CD2-CG 4.16Å; L783-F865 HydrophobicContact CD1-CD2 3.62Å; L783-F865 HydrophobicContact CD1-CE2 3.52Å; L783-F865 HydrophobicContact CG-CE2 4.48Å; L783-Q868 HydrophobicContact CB-CB 4.25Å; L783-Q868 VanDerWaalsContact CB-OE1 3.23Å; L783-Q868 HydrophobicContact CD1-CB 3.91Å; L783-L869 HydrophobicContact CD1-CD2 3.89Å; L783-L869 HydrophobicContact CD1-CG 4.09Å; L783-L869 HydrophobicContact CD2-CD2 4.32Å; L783-L872 HydrophobicContact CD2-CD1 3.88Å
784A66.9Low61.1Low33 Ų3356.3 Ų56.327%0.27333%0.334SS..Hα-helixtrans-61.2-35.7178.800000112.9N780 E781 V786 R787N780-A784 VanDerWaalsContact O-CB 3.31Å; N780-A784 WeakPolarHBondContact O-CB 3.11Å; N780-A784 PolarHBondContact O-N 2.87Å; E781-A784 PolarHBondContact O-N 3.29Å; A784-V786 PolarHBondContact O-N 3.42Å; A784-R787 PolarHBondContact O-N 3.02Å
785S60.8Low58.5Low68 Ų6861.2 Ų61.248%0.47637%0.369SS..Hα-helixtrans-57.8-32.9176.473.80000113.1E781 S782 L783E781-S785 PolarHBondContact O-N 2.88Å; S782-S785 PolarHBondContact O-OG 2.74Å; L783-S785 VanDerWaalsContact C-N 3.28Å; L783-S785 PolarHBondContact O-N 2.88Å
786V57.5Low55.8Low46 Ų4670.3 Ų70.328%0.27940%0.404SS..Hα-helixtrans-71.8-39.6179.5179.50000111.4L783 A784 M788 T789 N804 L872L783-V786 WeakPolarHBondContact O-CB 3.4Å; L783-V786 PolarHBondContact O-N 3.4Å; L783-V786 VanDerWaalsContact O-N 3.16Å; A784-V786 PolarHBondContact O-N 3.42Å; V786-M788 VanDerWaalsContact C-N 3.31Å; V786-M788 PolarHBondContact O-N 2.87Å; V786-T789 PolarHBondContact O-N 3.44Å; V786-T789 PolarHBondContact O-OG1 3.13Å; V786-N804 HydrophobicContact CG2-CB 4.24Å; V786-N804 WeakPolarHBondContact CG2-ND2 3.27Å; V786-L872 HydrophobicContact CG1-CD2 4.03Å
787R50.9Low53.1Low102 Ų10276.1 Ų76.139%0.38544%0.442SS..Hα-helixtrans-60.9-35.6-179.6-92.7179.5165.2175-5.8112.8A784 T789 G790 E867A784-R787 PolarHBondContact O-N 3.02Å; R787-T789 VanDerWaalsContact C-N 3.33Å; R787-T789 PolarHBondContact O-N 2.95Å; R787-G790 PolarHBondContact O-N 3Å; R787-E867 IonicContact CZ-OE1 2.8Å; R787-E867 IonicContact NH1-OE1 2.9Å; R787-E867 PolarHBondContact NH1-OE1 3.08Å; R787-E867 IonicContact NH2-OE1 3.15Å; R787-E867 PolarHBondContact NH2-OE1 3.28Å; R787-E867 VanDerWaalsContact NH2-OE1 3.12Å
788M45.4Very low50.4Low141 Ų14180.4 Ų80.470%0.69547%0.47SS*.Hα-helixtrans-70.7-26.9-176.6-73.7-69.1-8100113.5V786 G790V786-M788 VanDerWaalsContact C-N 3.31Å; V786-M788 PolarHBondContact O-N 2.87Å; M788-G790 VanDerWaalsContact C-N 3.29Å; M788-G790 PolarHBondContact O-N 3.39Å
789T41.4Very low48Very low111 Ų11187.2 Ų87.268%0.68151%0.506SS*.Hα-helixtrans-73.6-17.6-178.8610000113.8V786 R787V786-T789 PolarHBondContact O-N 3.44Å; V786-T789 PolarHBondContact O-OG1 3.13Å; R787-T789 VanDerWaalsContact C-N 3.33Å; R787-T789 PolarHBondContact O-N 2.95Å
790G37.2Very low45.8Very low68 Ų6891.7 Ų91.770%0.70154%0.537SS*.THydrogen-bonded Turntrans-85.4-17.6-179.200000115.9R787 M788R787-G790 PolarHBondContact O-N 3Å; M788-G790 VanDerWaalsContact C-N 3.29Å; M788-G790 PolarHBondContact O-N 3.39Å
791L36.1Very low44.1Very low149 Ų14995 Ų9578%0.7857%0.571SS**THydrogen-bonded Turntrans-94.6-16.2-172.2-87.6153.2000114.3G793L791-G793 PolarHBondContact O-N 3.24Å
792L31.9Very low42.8Very low141 Ų14197.2 Ų97.274%0.73858%0.581SS**SBendtrans-9594.1171.7-67.3171.1000107.9Q794L792-Q794 PolarHBondContact O-N 3.19Å
793G31.6Very low41.9Very low85 Ų85100.1 Ų100.188%0.87660%0.601SS**  trans-63.336.5177.100000115.5L791L791-G793 PolarHBondContact O-N 3.24Å
794Q31.5Very low41.6Very low151 Ų151100.7 Ų100.771%0.70660%0.604SS**  trans-89.3106.1165.8-71.1-167-1.800109L792 Y796L792-Q794 PolarHBondContact O-N 3.19Å; Q794-Y796 PolarHBondContact O-N 3.43Å
795S25.1Very low41.8Very low109 Ų109100.2 Ų100.276%0.76260%0.598SS**  trans-46.196.6167.736.90000113
796Y26.9Very low42.5Very low192 Ų19297 Ų9775%0.75358%0.575SS**  trans-12395.1150.8-69.7-75.7000108.9Q794 T798Q794-Y796 PolarHBondContact O-N 3.43Å; Y796-T798 VanDerWaalsContact C-N 3.32Å; Y796-T798 PolarHBondContact O-N 3.23Å
797P26.3Very low43.2Very low121 Ų12195.3 Ų95.379%0.78657%0.565SS**  trans-87.569.6176.535.7-30.4000109.1
798T27.1Very low44.2Very low113 Ų11392.7 Ų92.769%0.69356%0.556SS**  trans-150.9121175.149.20000112.3Y796Y796-T798 VanDerWaalsContact C-N 3.32Å; Y796-T798 PolarHBondContact O-N 3.23Å
799L30.7Very low45.5Very low150 Ų15086.5 Ų86.579%0.78553%0.526SS*.SBendtrans87.585179.3-8975.8000117.8G801L799-G801 PolarHBondContact O-N 3.43Å
800S35Very low47.1Very low95 Ų9581.2 Ų81.266%0.66449%0.494SS*.  trans27.976.4153.963.40000118H802S800-H802 PolarHBondContact O-N 3.38Å
801G44.2Very low48.7Very low68 Ų6879.4 Ų79.470%0.70148%0.475SS*.THydrogen-bonded Turntrans-68.534.1-177.400000117.9L799L799-G801 PolarHBondContact O-N 3.43Å
802H48.1Very low50.5Low92 Ų9272.7 Ų72.743%0.42644%0.439SS..THydrogen-bonded Turntrans-131.3-9-178.4-63.499.8000115.5S800 N804 P817S800-H802 PolarHBondContact O-N 3.38Å; H802-N804 PolarHBondContact O-N 3.2Å; H802-P817 HydrophobicContact CB-CG 4.36Å
803S53.9Low52.2Low65 Ų6569.8 Ų69.846%0.45543%0.425SS..  trans-90.796-175.1-56.90000111.7
804N65.8Low53.8Low15 Ų1566.6 Ų66.68%0.0839%0.389CS..  trans-119.4136.2175-175.7-23.1000109.8S782 V786 H802 A806 L807 F808S782-N804 VanDerWaalsContact C-ND2 3.34Å; S782-N804 PolarHBondContact O-ND2 3.26Å; V786-N804 HydrophobicContact CG2-CB 4.24Å; V786-N804 WeakPolarHBondContact CG2-ND2 3.27Å; H802-N804 PolarHBondContact O-N 3.2Å; N804-A806 PolarHBondContact O-N 3.41Å; N804-A806 PolarHBondContact OD1-N 3.02Å; N804-L807 HydrophobicContact CB-CB 4.47Å; N804-L807 HydrophobicContact CB-CD1 4.16Å; N804-L807 HydrophobicContact CB-CG 4.04Å; N804-L807 WeakPolarHBondContact O-CB 3.31Å; N804-L807 PolarHBondContact O-N 3.21Å; N804-F808 PolarHBondContact O-N 3.36Å; N804-F808 VanDerWaalsContact O-N 3.12Å
805V70.9Confident55.3Low23 Ų2369.5 Ų69.514%0.13939%0.393CS..Hα-helixtrans-55-41.7177.6-174.90000111.3L722 F778 L807 F808 L809L722-V805 HydrophobicContact CB-CG1 3.84Å; L722-V805 HydrophobicContact CB-CG2 4.04Å; L722-V805 HydrophobicContact CD1-CB 4.16Å; L722-V805 HydrophobicContact CD1-CG1 3.86Å; L722-V805 HydrophobicContact CD1-CG2 3.24Å; L722-V805 HydrophobicContact CG-CG1 4.21Å; L722-V805 HydrophobicContact CG-CG2 4.2Å; F778-V805 HydrophobicContact CE1-CG1 4.19Å; F778-V805 HydrophobicContact CZ-CG1 4.14Å; V805-L807 VanDerWaalsContact C-N 3.26Å; V805-L807 PolarHBondContact O-N 3.41Å; V805-F808 WeakPolarHBondContact O-CB 3.42Å; V805-F808 PolarHBondContact O-N 3.49Å; V805-L809 HydrophobicContact CG1-CD1 4Å; V805-L809 HydrophobicContact CG1-CG 4.19Å; V805-L809 WeakPolarHBondContact O-CG 3.42Å; V805-L809 PolarHBondContact O-N 3.3Å
806A74.2Confident57.2Low0 Ų068.9 Ų68.90%038%0.381CS..Hα-helixtrans-62.3-34.5177.900000112.2L779 L783 N804 A810L779-A806 HydrophobicContact CD2-CB 3.96Å; L783-A806 HydrophobicContact CD1-CB 4.48Å; L783-A806 HydrophobicContact CD2-CB 3.86Å; L783-A806 HydrophobicContact CG-CB 3.72Å; N804-A806 PolarHBondContact O-N 3.41Å; N804-A806 PolarHBondContact OD1-N 3.02Å; A806-A810 WeakPolarHBondContact O-CB 3.44Å; A806-A810 PolarHBondContact O-N 3.28Å
807L73.6Confident59.1Low10 Ų1060 Ų605%0.05235%0.347CS..Hα-helixtrans-71-39.6175.3-62.1-177.7000111.5L783 N804 V805 A810 G811 Y812 L869 T875L783-L807 HydrophobicContact CD2-CD2 3.78Å; L783-L807 HydrophobicContact CD2-CG 4.16Å; N804-L807 HydrophobicContact CB-CB 4.47Å; N804-L807 HydrophobicContact CB-CD1 4.16Å; N804-L807 HydrophobicContact CB-CG 4.04Å; N804-L807 WeakPolarHBondContact O-CB 3.31Å; N804-L807 PolarHBondContact O-N 3.21Å; V805-L807 VanDerWaalsContact C-N 3.26Å; V805-L807 PolarHBondContact O-N 3.41Å; L807-A810 PolarHBondContact O-N 2.63Å; L807-G811 PolarHBondContact O-N 3.42Å; L807-Y812 HydrophobicContact CD2-CD2 4.42Å; L807-Y812 WeakPolarHBondContact O-CB 3.14Å; L807-Y812 PolarHBondContact O-N 3.43Å; L807-L869 HydrophobicContact CD2-CD2 3.67Å; L807-T875 HydrophobicContact CD1-CG2 4.02Å; L807-T875 HydrophobicContact CD2-CG2 3.42Å; L807-T875 VanDerWaalsContact CD2-CG2 3.42Å; L807-T875 HydrophobicContact CG-CG2 4.33Å
808F71.2Confident61.1Low48 Ų4858.5 Ų58.521%0.21133%0.329CS..Hα-helixtrans-61.8-51.9174.4-175.4-111.5000111.9L724 V730 L734 N804 V805 A810 G811 C814L724-F808 HydrophobicContact CD2-CE2 4.44Å; V730-F808 HydrophobicContact CG1-CE1 4.35Å; V730-F808 HydrophobicContact CG1-CZ 3.89Å; L734-F808 HydrophobicContact CD1-CE1 4.17Å; L734-F808 HydrophobicContact CD1-CZ 4Å; L734-F808 HydrophobicContact CD2-CD1 3.93Å; L734-F808 HydrophobicContact CD2-CE1 3.68Å; L734-F808 HydrophobicContact CD2-CZ 4.3Å; L734-F808 HydrophobicContact CG-CE1 4.14Å; L734-F808 HydrophobicContact CG-CZ 4.46Å; N804-F808 PolarHBondContact O-N 3.36Å; N804-F808 VanDerWaalsContact O-N 3.12Å; V805-F808 WeakPolarHBondContact O-CB 3.42Å; V805-F808 PolarHBondContact O-N 3.49Å; F808-A810 VanDerWaalsContact C-N 3.28Å; F808-A810 PolarHBondContact O-N 3.09Å; F808-G811 PolarHBondContact O-N 3.01Å; F808-C814 VanDerWaalsContact CB-SG 3.55Å
809L73.6Confident63Low11 Ų1159.4 Ų59.46%0.05833%0.33CS..Hα-helixtrans-63-34.3178.8-66.7-179.3000112.3L734 F737 F778 L779 V805 G811 V834L734-L809 HydrophobicContact CD2-CD2 3.7Å; F737-L809 HydrophobicContact CD1-CD1 4.3Å; F737-L809 HydrophobicContact CD2-CD1 4.46Å; F737-L809 HydrophobicContact CD2-CD2 3.76Å; F737-L809 HydrophobicContact CE1-CD1 4.39Å; F737-L809 HydrophobicContact CE2-CD2 4.06Å; F737-L809 HydrophobicContact CG-CD1 4.33Å; F737-L809 HydrophobicContact CG-CD2 4.25Å; F778-L809 HydrophobicContact CE1-CD1 3.99Å; L779-L809 HydrophobicContact CD2-CB 4.19Å; L779-L809 HydrophobicContact CD2-CD1 3.97Å; V805-L809 HydrophobicContact CG1-CD1 4Å; V805-L809 HydrophobicContact CG1-CG 4.19Å; V805-L809 WeakPolarHBondContact O-CG 3.42Å; V805-L809 PolarHBondContact O-N 3.3Å; L809-G811 PolarHBondContact O-N 3.02Å; L809-V834 HydrophobicContact CB-CG2 4.24Å; L809-V834 WeakPolarHBondContact O-CB 3.37Å; L809-V834 WeakPolarHBondContact O-CG2 3.47Å
810A74.2Confident65Low0 Ų052.9 Ų52.90%030%0.296CS..Hα-helixtrans-63.8-20.1174.100000113.6A806 L807 F808 Y812 T833 V835 F865A806-A810 WeakPolarHBondContact O-CB 3.44Å; A806-A810 PolarHBondContact O-N 3.28Å; L807-A810 PolarHBondContact O-N 2.63Å; F808-A810 VanDerWaalsContact C-N 3.28Å; F808-A810 PolarHBondContact O-N 3.09Å; A810-Y812 HydrophobicContact CB-CD2 3.66Å; A810-Y812 HydrophobicContact CB-CE2 3.87Å; A810-T833 PolarHBondContact O-OG1 2.71Å; A810-T833 VanDerWaalsContact O-OG1 3.11Å; A810-V835 HydrophobicContact CB-CG2 3.56Å; A810-V835 VanDerWaalsContact O-CG2 3.23Å; A810-V835 WeakPolarHBondContact O-CG2 3.49Å; A810-F865 HydrophobicContact CB-CZ 4.17Å
811G71.8Confident66.4Low30 Ų3051.5 Ų51.531%0.30929%0.291SS..THydrogen-bonded Turntrans98.718.4-17800000114.4L807 F808 L809 T820L807-G811 PolarHBondContact O-N 3.42Å; F808-G811 PolarHBondContact O-N 3.01Å; L809-G811 PolarHBondContact O-N 3.02Å; G811-T820 WeakPolarHBondContact O-CG2 3.24Å
812Y73.2Confident67.6Low7 Ų749.4 Ų49.43%0.02726%0.263CS..  trans-84.5144.3175.3-70.2-100.5000112.7L807 A810 C814 P817 T820 V835 L869 T875 P878 I879L807-Y812 HydrophobicContact CD2-CD2 4.42Å; L807-Y812 WeakPolarHBondContact O-CB 3.14Å; L807-Y812 PolarHBondContact O-N 3.43Å; A810-Y812 HydrophobicContact CB-CD2 3.66Å; A810-Y812 HydrophobicContact CB-CE2 3.87Å; Y812-C814 PolarHBondContact O-N 3.33Å; Y812-C814 VanDerWaalsContact O-N 3.09Å; Y812-P817 HydrophobicContact CD1-CB 4.41Å; Y812-T820 HydrophobicContact CD1-CG2 4.19Å; Y812-T820 HydrophobicContact CG-CG2 4.43Å; Y812-V835 HydrophobicContact CE2-CG2 4.48Å; Y812-L869 HydrophobicContact CE2-CD2 4.23Å; Y812-T875 HydrophobicContact CD1-CG2 3.97Å; Y812-T875 HydrophobicContact CE1-CG2 3.8Å; Y812-T875 HydrophobicContact CG-CG2 4.42Å; Y812-T875 PolarHBondContact OH-O 3.35Å; Y812-P878 HydrophobicContact CE1-CB 3.78Å; Y812-P878 HydrophobicContact CE1-CG 4Å; Y812-I879 WeakPolarHBondContact OH-CB 3.46Å
813D68.3Low68.3Low81 Ų8152.3 Ų52.343%0.43328%0.277SS..  trans-69.2107.1166.6-177.4-3.5000109R815 N816 P817 T820D813-R815 PolarHBondContact O-N 3.21Å; D813-R815 VanDerWaalsContact O-N 3.08Å; D813-R815 WeakPolarHBondContact OD1-CB 3.4Å; D813-R815 PolarHBondContact OD1-N 3.25Å; D813-N816 CarbonylContact O-C 3.59Å; D813-N816 PolarHBondContact O-N 3.34Å; D813-N816 VanDerWaalsContact O-N 3.15Å; D813-P817 VanDerWaalsContact O-CA 3.25Å; D813-P817 WeakPolarHBondContact O-CA 3.17Å; D813-P817 WeakPolarHBondContact O-CD 3.06Å; D813-T820 PolarHBondContact N-OG1 3.38Å
814C63.3Low68.3Low18 Ų1851.9 Ų51.912%0.12228%0.278CS..SBendtrans-61.9-17.5-177.7-68.30000114F808 Y812F808-C814 VanDerWaalsContact CB-SG 3.55Å; Y812-C814 PolarHBondContact O-N 3.33Å; Y812-C814 VanDerWaalsContact O-N 3.09Å
815R63.8Low67.8Low212 Ų21253.6 Ų53.680%0.829%0.288SS*.SBendtrans-82.7-41.1176.1-65.5-178.7175.1173.50.2111.6D813D813-R815 PolarHBondContact O-N 3.21Å; D813-R815 VanDerWaalsContact O-N 3.08Å; D813-R815 WeakPolarHBondContact OD1-CB 3.4Å; D813-R815 PolarHBondContact OD1-N 3.25Å
816N65.5Low66.7Low96 Ų9656.8 Ų56.851%0.51332%0.318SS..  trans-137.869.7-176.8-75.7-33.4000110.7D813 Q818 N819D813-N816 CarbonylContact O-C 3.59Å; D813-N816 PolarHBondContact O-N 3.34Å; D813-N816 VanDerWaalsContact O-N 3.15Å; N816-Q818 PolarHBondContact O-N 3Å; N816-Q818 VanDerWaalsContact O-N 3.09Å; N816-N819 HydrophobicContact CB-CB 4.48Å; N816-N819 PolarHBondContact O-N 2.89Å
817P67.4Low65.2Low4 Ų460.5 Ų60.53%0.02634%0.34CS..G310 helixtrans-57-33.8-174.720.5-33.6000112.5H802 Y812 D813 N819 T820 A874 T875 P878H802-P817 HydrophobicContact CB-CG 4.36Å; Y812-P817 HydrophobicContact CD1-CB 4.41Å; D813-P817 VanDerWaalsContact O-CA 3.25Å; D813-P817 WeakPolarHBondContact O-CA 3.17Å; D813-P817 WeakPolarHBondContact O-CD 3.06Å; P817-N819 VanDerWaalsContact C-N 3.26Å; P817-N819 PolarHBondContact O-N 2.97Å; P817-T820 WeakPolarHBondContact O-CB 3.48Å; P817-T820 PolarHBondContact O-N 3.1Å; P817-T820 PolarHBondContact O-OG1 3.49Å; P817-A874 CarbonylContact C-O 3.54Å; P817-A874 VanDerWaalsContact C-O 3.29Å; P817-A874 HydrophobicContact CB-CB 4.36Å; P817-A874 HydrophobicContact CG-CB 3.86Å; P817-T875 HydrophobicContact CB-CG2 4.22Å; P817-P878 WeakPolarHBondContact O-CG 3.49Å
818Q68Low64.1Low90 Ų9066.6 Ų66.642%0.42138%0.381SS..G310 helixtrans-61.8-28.9-179.6-64.7176.92.200114N816 A874N816-Q818 PolarHBondContact O-N 3Å; N816-Q818 VanDerWaalsContact O-N 3.09Å; Q818-A874 VanDerWaalsContact CA-O 3.28Å; Q818-A874 WeakPolarHBondContact CA-O 3.21Å; Q818-A874 WeakPolarHBondContact CG-O 3.34Å; Q818-A874 PolarHBondContact N-O 3.04Å; Q818-A874 VanDerWaalsContact N-O 3.11Å
819N67Low62.8Low133 Ų13372.7 Ų72.771%0.71141%0.412SS*.G310 helixtrans-99.55.6-176.4-71.1-15.8000113N816 P817 A821N816-N819 HydrophobicContact CB-CB 4.48Å; N816-N819 PolarHBondContact O-N 2.89Å; P817-N819 VanDerWaalsContact C-N 3.26Å; P817-N819 PolarHBondContact O-N 2.97Å; N819-A821 PolarHBondContact O-N 2.89Å
820T71.9Confident61.8Low12 Ų1273.5 Ų73.57%0.07442%0.42CS..  trans-64125179.3-51.50000109.9G811 Y812 D813 P817 L822 P878G811-T820 WeakPolarHBondContact O-CG2 3.24Å; Y812-T820 HydrophobicContact CD1-CG2 4.19Å; Y812-T820 HydrophobicContact CG-CG2 4.43Å; D813-T820 PolarHBondContact N-OG1 3.38Å; P817-T820 WeakPolarHBondContact O-CB 3.48Å; P817-T820 PolarHBondContact O-N 3.1Å; P817-T820 PolarHBondContact O-OG1 3.49Å; T820-L822 HydrophobicContact CG2-CD2 4.13Å; T820-L822 HydrophobicContact CG2-CG 4.45Å; T820-P878 WeakPolarHBondContact O-CB 3.25Å
821A65.2Low60.9Low66 Ų6676.9 Ų76.955%0.54544%0.442SS..  trans-91.7103.7168.700000109.4N819 E823N819-A821 PolarHBondContact O-N 2.89Å; A821-E823 VanDerWaalsContact C-N 3.28Å; A821-E823 HydrophobicContact CB-CG 4.27Å; A821-E823 PolarHBondContact O-N 2.89Å
822L68Low60.7Low24 Ų2479.5 Ų79.513%0.12645%0.445CS..  trans-78.680.3170.1-62.1173000108.3T820 P878 I879 R882T820-L822 HydrophobicContact CG2-CD2 4.13Å; T820-L822 HydrophobicContact CG2-CG 4.45Å; L822-P878 HydrophobicContact CD1-CB 4.19Å; L822-P878 HydrophobicContact CG-CB 4.42Å; L822-I879 HydrophobicContact CD1-CD1 4.22Å; L822-R882 HydrophobicContact CB-CB 4.33Å; L822-R882 HydrophobicContact CB-CG 4.48Å; L822-R882 HydrophobicContact CD1-CB 4.32Å
823E63.1Low60.8Low153 Ų15380.8 Ų80.872%0.71545%0.453SS*.  trans-71.6148.7179.5-66.5-174.3171.200111.8A821 H836A821-E823 VanDerWaalsContact C-N 3.28Å; A821-E823 HydrophobicContact CB-CG 4.27Å; A821-E823 PolarHBondContact O-N 2.89Å; E823-H836 PolarHBondContact O-NE2 3.24Å
824A54.3Low61.3Low57 Ų5777 Ų7747%0.47143%0.433SS..  trans-62138.3171.500000109.6A826A824-A826 VanDerWaalsContact C-N 3.35Å; A824-A826 PolarHBondContact O-N 3.32Å
825V56.2Low62.2Low50 Ų5076.3 Ų76.330%0.30343%0.428SS..  trans-57.794.5177.6-177.80000108.9T827 A830 K832V825-T827 VanDerWaalsContact CG1-O 3.32Å; V825-T827 WeakPolarHBondContact CG1-O 3.32Å; V825-T827 PolarHBondContact O-N 2.97Å; V825-T827 VanDerWaalsContact O-N 3.17Å; V825-A830 HydrophobicContact CG1-CB 3.78Å; V825-A830 WeakPolarHBondContact CG1-O 3.37Å; V825-K832 HydrophobicContact CG2-CG 4.31Å
826A45.9Very low63.1Low91 Ų9166.8 Ų66.875%0.75239%0.393SS*.  trans-70.6-14.2-165.300000113.9A824A824-A826 VanDerWaalsContact C-N 3.35Å; A824-A826 PolarHBondContact O-N 3.32Å
827T44.2Very low63.7Low78 Ų7862.3 Ų62.348%0.47937%0.369SS..SBendtrans-148.6151.2175.350.50000109.5V825 M829 A830V825-T827 VanDerWaalsContact CG1-O 3.32Å; V825-T827 WeakPolarHBondContact CG1-O 3.32Å; V825-T827 PolarHBondContact O-N 2.97Å; V825-T827 VanDerWaalsContact O-N 3.17Å; T827-M829 PolarHBondContact O-N 3.17Å; T827-A830 WeakPolarHBondContact O-CB 3.48Å; T827-A830 PolarHBondContact O-N 3.35Å; T827-A830 PolarHBondContact OG1-N 2.83Å
828P50.3Low64.5Low138 Ų13862.3 Ų62.390%0.89637%0.369SS*.THydrogen-bonded Turntrans-59.7-13.2175.123.4-33.1000113.8
829M44.5Very low65.2Low176 Ų17658.2 Ų58.287%0.86735%0.35SS*.THydrogen-bonded Turntrans-88.3-9.2172.3-68.7-162.467.300114.1T827T827-M829 PolarHBondContact O-N 3.17Å
830A50.9Low65.8Low27 Ų2754.9 Ų54.922%0.22333%0.332CS..SBendtrans-76.7140.2179.200000110.4V825 T827 K832V825-A830 HydrophobicContact CG1-CB 3.78Å; V825-A830 WeakPolarHBondContact CG1-O 3.37Å; T827-A830 WeakPolarHBondContact O-CB 3.48Å; T827-A830 PolarHBondContact O-N 3.35Å; T827-A830 PolarHBondContact OG1-N 2.83Å; A830-K832 PolarHBondContact O-N 2.82Å; A830-K832 VanDerWaalsContact O-N 3.11Å
831P57Low66Low72 Ų7255.9 Ų55.947%0.46834%0.337SS..  trans-60.8109.2-174.623-35.7000113.7F735 T833F735-P831 HydrophobicContact CD1-CB 3.94Å; F735-P831 HydrophobicContact CE1-CB 2.91Å; F735-P831 HydrophobicContact CE1-CG 4.31Å; F735-P831 HydrophobicContact CE2-CB 3.76Å; F735-P831 HydrophobicContact CZ-CB 2.85Å; F735-P831 HydrophobicContact CZ-CG 4.01Å; P831-T833 PolarHBondContact O-N 2.97Å
832K66.7Low66.8Low85 Ų8552.8 Ų52.837%0.3731%0.311SS..  trans-66.2126.7171.4-73-166.4177.9-165.40109.4F735 A738 V825 A830 H836 D840F735-K832 WeakPolarHBondContact CD1-O 3.4Å; A738-K832 WeakPolarHBondContact CB-O 3.47Å; V825-K832 HydrophobicContact CG2-CG 4.31Å; A830-K832 PolarHBondContact O-N 2.82Å; A830-K832 VanDerWaalsContact O-N 3.11Å; K832-H836 HydrophobicContact CB-CB 4.46Å; K832-D840 IonicContact NZ-OD2 2.58Å; K832-D840 PolarHBondContact NZ-OD2 2.97Å
833T74.7Confident67.2Low33 Ų3355.4 Ų55.420%0.20232%0.323CS..  trans-87.1166.6172.275.60000110.7A810 P831 V835 H836 S837A810-T833 PolarHBondContact O-OG1 2.71Å; A810-T833 VanDerWaalsContact O-OG1 3.11Å; P831-T833 PolarHBondContact O-N 2.97Å; T833-V835 PolarHBondContact O-N 3.08Å; T833-V835 PolarHBondContact OG1-N 2.96Å; T833-H836 WeakPolarHBondContact O-CA 3.2Å; T833-H836 WeakPolarHBondContact O-CB 3.41Å; T833-H836 PolarHBondContact O-N 2.82Å; T833-H836 PolarHBondContact OG1-ND1 3.04Å; T833-S837 PolarHBondContact O-N 3.16Å
834V79Confident67.6Low1 Ų150.1 Ų50.11%0.00631%0.305CS..Hα-helixtrans-55.2-38.5175169.60000111.9F737 L741 L779 L809 H836 S837 V838F737-V834 HydrophobicContact CB-CG2 3.93Å; L741-V834 HydrophobicContact CD1-CG1 3.8Å; L779-V834 HydrophobicContact CD1-CG1 3.54Å; L809-V834 HydrophobicContact CB-CG2 4.24Å; L809-V834 WeakPolarHBondContact O-CB 3.37Å; L809-V834 WeakPolarHBondContact O-CG2 3.47Å; V834-H836 VanDerWaalsContact C-N 3.3Å; V834-H836 PolarHBondContact O-N 3.44Å; V834-S837 PolarHBondContact O-N 3.11Å; V834-V838 HydrophobicContact CG1-CG2 4.23Å; V834-V838 VanDerWaalsContact O-CG2 3.28Å; V834-V838 WeakPolarHBondContact O-CG2 3.33Å; V834-V838 PolarHBondContact O-N 3.22Å
835V82.8Confident68.2Low4 Ų447.6 Ų47.62%0.02428%0.284CS..Hα-helixtrans-61.3-39.9175.91700000111.2A810 Y812 T833 V838 L839 F865 L869 I879A810-V835 HydrophobicContact CB-CG2 3.56Å; A810-V835 VanDerWaalsContact O-CG2 3.23Å; A810-V835 WeakPolarHBondContact O-CG2 3.49Å; Y812-V835 HydrophobicContact CE2-CG2 4.48Å; T833-V835 PolarHBondContact O-N 3.08Å; T833-V835 PolarHBondContact OG1-N 2.96Å; V835-V838 PolarHBondContact O-N 3.46Å; V835-L839 HydrophobicContact CG1-CD1 3.78Å; V835-L839 HydrophobicContact CG1-CG 4.4Å; V835-L839 WeakPolarHBondContact O-CB 3.34Å; V835-L839 WeakPolarHBondContact O-CG 3.44Å; V835-L839 PolarHBondContact O-N 3.41Å; V835-F865 HydrophobicContact CG2-CE1 4.31Å; V835-L869 HydrophobicContact CG2-CD1 4.18Å; V835-I879 HydrophobicContact CG1-CD1 3.8Å
836H81.7Confident68.8Low13 Ų1349 Ų496%0.0629%0.287CS..Hα-helixtrans-65.2-47.5176-6692.1000111.2E823 K832 T833 V834 V838 L839 D840E823-H836 PolarHBondContact O-NE2 3.24Å; K832-H836 HydrophobicContact CB-CB 4.46Å; T833-H836 WeakPolarHBondContact O-CA 3.2Å; T833-H836 WeakPolarHBondContact O-CB 3.41Å; T833-H836 PolarHBondContact O-N 2.82Å; T833-H836 PolarHBondContact OG1-ND1 3.04Å; V834-H836 VanDerWaalsContact C-N 3.3Å; V834-H836 PolarHBondContact O-N 3.44Å; H836-V838 VanDerWaalsContact C-N 3.32Å; H836-V838 PolarHBondContact O-N 3.26Å; H836-L839 PolarHBondContact O-N 3.03Å; H836-D840 WeakPolarHBondContact O-CB 3.33Å; H836-D840 VanDerWaalsContact O-CG 3.23Å; H836-D840 PolarHBondContact O-N 3.47Å
837S79.1Confident69.7Low2 Ų250.7 Ų50.71%0.01428%0.279CS..Hα-helixtrans-61.9-36.9177.6-580000112.9A738 T833 V834 L841A738-S837 PolarHBondContact O-OG 3.37Å; T833-S837 PolarHBondContact O-N 3.16Å; V834-S837 PolarHBondContact O-N 3.11Å; S837-L841 VanDerWaalsContact O-CB 3.31Å; S837-L841 WeakPolarHBondContact O-CB 3.35Å; S837-L841 PolarHBondContact O-N 2.94Å
838V83.7Confident70.4Confident3 Ų352.1 Ų52.12%0.01828%0.28CS..Hα-helixtrans-68.6-41.4176.1172.50000111.5L741 L776 V834 V835 H836 L841 L842 A862 F865L741-V838 HydrophobicContact CD1-CG2 4.14Å; L776-V838 HydrophobicContact CD2-CG2 3.91Å; V834-V838 HydrophobicContact CG1-CG2 4.23Å; V834-V838 VanDerWaalsContact O-CG2 3.28Å; V834-V838 WeakPolarHBondContact O-CG2 3.33Å; V834-V838 PolarHBondContact O-N 3.22Å; V835-V838 PolarHBondContact O-N 3.46Å; H836-V838 VanDerWaalsContact C-N 3.32Å; H836-V838 PolarHBondContact O-N 3.26Å; V838-L841 PolarHBondContact O-N 2.9Å; V838-L842 HydrophobicContact CG1-CD1 4.26Å; V838-L842 WeakPolarHBondContact O-CG 3.43Å; V838-L842 PolarHBondContact O-N 3.29Å; V838-A862 HydrophobicContact CG1-CB 3.98Å; V838-F865 HydrophobicContact CG1-CD1 4.34Å; V838-F865 HydrophobicContact CG2-CD1 4.31Å; V838-F865 HydrophobicContact CG2-CE1 4.49Å
839L83.6Confident70.5Confident5 Ų548 Ų483%0.02625%0.254CS..Hα-helixtrans-68.3-39.3176.8-67.8170.3000111.6V835 H836 L841 L842 Q843 R882 L883 L886 F889V835-L839 HydrophobicContact CG1-CD1 3.78Å; V835-L839 HydrophobicContact CG1-CG 4.4Å; V835-L839 WeakPolarHBondContact O-CB 3.34Å; V835-L839 WeakPolarHBondContact O-CG 3.44Å; V835-L839 PolarHBondContact O-N 3.41Å; H836-L839 PolarHBondContact O-N 3.03Å; L839-L841 VanDerWaalsContact C-N 3.34Å; L839-L842 PolarHBondContact O-N 3.09Å; L839-Q843 WeakPolarHBondContact O-CB 3.23Å; L839-Q843 PolarHBondContact O-N 3.35Å; L839-R882 HydrophobicContact CD1-CG 4.17Å; L839-L883 HydrophobicContact CD2-CD2 3.6Å; L839-L886 HydrophobicContact CB-CD1 4.36Å; L839-L886 HydrophobicContact CD1-CD1 3.85Å; L839-L886 HydrophobicContact CD2-CD1 4.3Å; L839-L886 HydrophobicContact CG-CD1 4.39Å; L839-F889 HydrophobicContact CD2-CE2 4.3Å; L839-F889 HydrophobicContact CD2-CZ 4.11Å
840D78.4Confident71.2Confident63 Ų6340.4 Ų40.434%0.33722%0.216SC..Hα-helixtrans-61-42.7172.4-70-7.5000110.7K832 H836 Q843 A844K832-D840 IonicContact NZ-OD2 2.58Å; K832-D840 PolarHBondContact NZ-OD2 2.97Å; H836-D840 WeakPolarHBondContact O-CB 3.33Å; H836-D840 VanDerWaalsContact O-CG 3.23Å; H836-D840 PolarHBondContact O-N 3.47Å; D840-Q843 PolarHBondContact O-N 3.11Å; D840-A844 VanDerWaalsContact O-CB 3.31Å; D840-A844 WeakPolarHBondContact O-CB 3.47Å; D840-A844 PolarHBondContact O-N 3.11Å
841L77.7Confident71.1Confident33 Ų3344.9 Ų44.917%0.17324%0.236CC..Hα-helixtrans-61.8-45175.5-177.1155.1000111.7S837 V838 L839 S845 L858 A862S837-L841 VanDerWaalsContact O-CB 3.31Å; S837-L841 WeakPolarHBondContact O-CB 3.35Å; S837-L841 PolarHBondContact O-N 2.94Å; V838-L841 PolarHBondContact O-N 2.9Å; L839-L841 VanDerWaalsContact C-N 3.34Å; L841-S845 WeakPolarHBondContact O-CB 3.39Å; L841-S845 PolarHBondContact O-N 3.47Å; L841-L858 HydrophobicContact CD1-CD1 4.49Å; L841-A862 HydrophobicContact CD2-CB 4.16Å
842L80.3Confident70.7Confident0 Ų048 Ų480%025%0.245CC..Hα-helixtrans-67.4-38.2177.4-70.4175.8000111.7V838 L839 S845 F846 I859 A862 Y863 F889V838-L842 HydrophobicContact CG1-CD1 4.26Å; V838-L842 WeakPolarHBondContact O-CG 3.43Å; V838-L842 PolarHBondContact O-N 3.29Å; L839-L842 PolarHBondContact O-N 3.09Å; L842-S845 PolarHBondContact O-N 2.98Å; L842-S845 PolarHBondContact O-OG 3.1Å; L842-F846 PolarHBondContact O-N 2.93Å; L842-F846 VanDerWaalsContact O-N 3.14Å; L842-I859 HydrophobicContact CD2-CG2 4.27Å; L842-A862 HydrophobicContact CD1-CB 4.4Å; L842-A862 HydrophobicContact CD2-CB 3.76Å; L842-A862 HydrophobicContact CG-CB 4.08Å; L842-Y863 HydrophobicContact CD1-CD1 4.04Å; L842-Y863 HydrophobicContact CD1-CE1 4.08Å; L842-Y863 HydrophobicContact CD2-CD1 4.05Å; L842-Y863 HydrophobicContact CD2-CD2 4.15Å; L842-Y863 HydrophobicContact CD2-CE1 3.85Å; L842-Y863 HydrophobicContact CD2-CE2 3.96Å; L842-Y863 HydrophobicContact CD2-CG 4.18Å; L842-F889 HydrophobicContact CB-CE2 4.3Å; L842-F889 HydrophobicContact CB-CZ 3.94Å; L842-F889 HydrophobicContact CD1-CZ 3.88Å
843Q77.1Confident69.8Low79 Ų7945.2 Ų45.237%0.36923%0.234SC..Hα-helixtrans-68.8-43.7176.8-174.2176.1-21.200111.9L839 D840 S845 F846 E847L839-Q843 WeakPolarHBondContact O-CB 3.23Å; L839-Q843 PolarHBondContact O-N 3.35Å; D840-Q843 PolarHBondContact O-N 3.11Å; Q843-S845 PolarHBondContact O-N 2.95Å; Q843-F846 WeakPolarHBondContact O-CA 3.35Å; Q843-F846 WeakPolarHBondContact O-CB 3.45Å; Q843-F846 PolarHBondContact O-N 3.37Å; Q843-E847 PolarHBondContact NE2-OE1 3.4Å; Q843-E847 PolarHBondContact O-N 2.8Å
844A71.6Confident68.7Low42 Ų4249.4 Ų49.435%0.34725%0.249SC..Hα-helixtrans-59.3-37.2173.400000111.6D840 F846 E847 H848D840-A844 VanDerWaalsContact O-CB 3.31Å; D840-A844 WeakPolarHBondContact O-CB 3.47Å; D840-A844 PolarHBondContact O-N 3.11Å; A844-F846 VanDerWaalsContact C-N 3.27Å; A844-F846 PolarHBondContact O-N 3.15Å; A844-E847 PolarHBondContact O-N 3.05Å; A844-H848 WeakPolarHBondContact O-CB 3.44Å; A844-H848 PolarHBondContact O-CD2 2.82Å; A844-H848 PolarHBondContact O-N 3.45Å
845S67.4Low67.7Low5 Ų551.9 Ų51.94%0.03526%0.26CS..Hα-helixtrans-66.9-27.5175.180.40000113.7L841 L842 Q843L841-S845 WeakPolarHBondContact O-CB 3.39Å; L841-S845 PolarHBondContact O-N 3.47Å; L842-S845 PolarHBondContact O-N 2.98Å; L842-S845 PolarHBondContact O-OG 3.1Å; Q843-S845 PolarHBondContact O-N 2.95Å
846F67.9Low66.7Low80 Ų8053.8 Ų53.835%0.35127%0.271SS..Hα-helixtrans-79.5-40.4177.3-177.3-91.9000111.7L842 Q843 A844 A892 H893 A896L842-F846 PolarHBondContact O-N 2.93Å; L842-F846 VanDerWaalsContact O-N 3.14Å; Q843-F846 WeakPolarHBondContact O-CA 3.35Å; Q843-F846 WeakPolarHBondContact O-CB 3.45Å; Q843-F846 PolarHBondContact O-N 3.37Å; A844-F846 VanDerWaalsContact C-N 3.27Å; A844-F846 PolarHBondContact O-N 3.15Å; F846-A892 HydrophobicContact CE2-CB 4.46Å; F846-A892 WeakPolarHBondContact CE2-O 3.47Å; F846-A892 HydrophobicContact CZ-CB 4.25Å; F846-H893 AromaticContact CD2-CD2 3.94Å; F846-H893 AromaticContact CD2-NE2 3.89Å; F846-H893 AromaticContact CG-NE2 3.98Å; F846-A896 HydrophobicContact CD2-CB 3.99Å; F846-A896 HydrophobicContact CE2-CB 3.36Å; F846-A896 HydrophobicContact CZ-CB 4.19Å
847E65Low65.8Low125 Ų12554 Ų5458%0.58428%0.277SS*.Hα-helixtrans-70.4-42.3178.9-69.9176-167.500112.3Q843 A844 S849Q843-E847 PolarHBondContact NE2-OE1 3.4Å; Q843-E847 PolarHBondContact O-N 2.8Å; A844-E847 PolarHBondContact O-N 3.05Å; E847-S849 PolarHBondContact O-N 3.25Å
848H59.1Low65.5Low108 Ų10854.1 Ų54.150%0.528%0.278SS..SBendtrans-93.176.7174.4-62-68.1000109.8A844 F850 L853A844-H848 WeakPolarHBondContact O-CB 3.44Å; A844-H848 PolarHBondContact O-CD2 2.82Å; A844-H848 PolarHBondContact O-N 3.45Å; H848-F850 PolarHBondContact O-N 3.42Å; H848-L853 HydrophobicContact CB-CD2 4.38Å; H848-L853 WeakPolarHBondContact O-CD1 3.26Å
849S52.7Low65.2Low51 Ų5154.1 Ų54.136%0.35728%0.277SS..  trans-9.1119.9172.749.70000114.9E847 D851 Q852E847-S849 PolarHBondContact O-N 3.25Å; S849-D851 PolarHBondContact O-N 2.94Å; S849-Q852 PolarHBondContact O-N 3.22Å
850F57.7Low64.9Low17 Ų1755.6 Ų55.68%0.07528%0.284CS..G310 helixtrans-40.9-22.8-172.1-65.5-93.5000117.5H848 Q852 L853 I859 I897 K900 L914H848-F850 PolarHBondContact O-N 3.42Å; F850-Q852 VanDerWaalsContact C-N 3.31Å; F850-Q852 PolarHBondContact O-N 2.66Å; F850-L853 PolarHBondContact O-N 3.23Å; F850-I859 HydrophobicContact CD1-CD1 3.99Å; F850-I859 HydrophobicContact CE1-CD1 4.08Å; F850-I859 HydrophobicContact CE1-CG2 4.33Å; F850-I897 HydrophobicContact CE2-CG1 3.99Å; F850-I897 HydrophobicContact CZ-CD1 4.24Å; F850-I897 HydrophobicContact CZ-CG1 3.65Å; F850-K900 HydrophobicContact CB-CD 4.08Å; F850-K900 HydrophobicContact CD2-CD 3.76Å; F850-K900 HydrophobicContact CG-CD 4.28Å; F850-L914 HydrophobicContact CD1-CD2 3.79Å; F850-L914 HydrophobicContact CE1-CD2 4.02Å; F850-L914 HydrophobicContact CG-CD2 4.06Å; F850-L914 HydrophobicContact CZ-CD2 4.49Å
851D49.5Very low65Low121 Ų12152.7 Ų52.765%0.64727%0.269SS*.G310 helixtrans-74.7-17.8-178.1-42.1-39.8000113S849 K900S849-D851 PolarHBondContact O-N 2.94Å; D851-K900 IonicContact OD1-NZ 3.82Å; D851-K900 PolarHBondContact OD1-NZ 3.02Å; D851-K900 IonicContact OD2-NZ 3.47Å; D851-K900 PolarHBondContact OD2-NZ 3.2Å
852Q48.3Very low65.3Low139 Ų13951.1 Ų51.165%0.6526%0.26SS*.G310 helixtrans-96.2-9.8178.3-66.7-174.9-3.200113S849 F850 K854S849-Q852 PolarHBondContact O-N 3.22Å; F850-Q852 VanDerWaalsContact C-N 3.31Å; F850-Q852 PolarHBondContact O-N 2.66Å; Q852-K854 PolarHBondContact O-N 3.45Å
853L47.9Very low65.6Low25 Ų2551.1 Ų51.113%0.13126%0.26CS..  trans-85.9103.9-172.3-69.4167.5000109.8H848 F850 F855 V856 I859H848-L853 HydrophobicContact CB-CD2 4.38Å; H848-L853 WeakPolarHBondContact O-CD1 3.26Å; F850-L853 PolarHBondContact O-N 3.23Å; L853-F855 HydrophobicContact CB-CB 4.28Å; L853-F855 HydrophobicContact CB-CD2 4.2Å; L853-F855 HydrophobicContact CD2-CB 4.5Å; L853-F855 HydrophobicContact CD2-CD2 3.7Å; L853-F855 HydrophobicContact CD2-CE2 4.26Å; L853-F855 HydrophobicContact CD2-CG 4.4Å; L853-F855 PolarHBondContact O-N 3.23Å; L853-V856 WeakPolarHBondContact O-CG2 3.32Å; L853-I859 HydrophobicContact CD1-CD1 3.9Å
854K51.5Low65.9Low121 Ų12151 Ų5153%0.52626%0.257SS..THydrogen-bonded Turntrans-57.86.3158.4-59.9-175.2177.1-173.30113.8E747 I748 Q852E747-K854 HydrophobicContact CB-CB 4.46Å; E747-K854 HydrophobicContact CG-CB 4.07Å; E747-K854 HydrophobicContact CG-CD 3.61Å; E747-K854 VanDerWaalsContact OE1-CD 3.27Å; E747-K854 WeakPolarHBondContact OE1-CD 3.29Å; E747-K854 IonicContact OE1-NZ 3.87Å; E747-K854 PolarHBondContact OE1-NZ 3.33Å; E747-K854 WeakPolarHBondContact OE2-CD 3.37Å; E747-K854 IonicContact OE2-NZ 2.77Å; E747-K854 PolarHBondContact OE2-NZ 3.34Å; I748-K854 PolarHBondContact N-O 3.19Å; Q852-K854 PolarHBondContact O-N 3.45Å
855F58.4Low66.7Low54 Ų5449 Ų4924%0.23724%0.24CC..THydrogen-bonded Turntrans-113.28.1-167.2-56.7-106.8000114A746 L853 G857 L858A746-F855 VanDerWaalsContact C-CE1 3.5Å; A746-F855 HydrophobicContact CB-CD1 4.07Å; A746-F855 HydrophobicContact CB-CE1 3.69Å; A746-F855 WeakPolarHBondContact O-CD1 3.48Å; A746-F855 WeakPolarHBondContact O-CE1 3.44Å; A746-F855 WeakPolarHBondContact O-CZ 3.42Å; L853-F855 HydrophobicContact CB-CB 4.28Å; L853-F855 HydrophobicContact CB-CD2 4.2Å; L853-F855 HydrophobicContact CD2-CB 4.5Å; L853-F855 HydrophobicContact CD2-CD2 3.7Å; L853-F855 HydrophobicContact CD2-CE2 4.26Å; L853-F855 HydrophobicContact CD2-CG 4.4Å; L853-F855 PolarHBondContact O-N 3.23Å; F855-G857 PolarHBondContact O-N 3.24Å; F855-L858 HydrophobicContact CD1-CD1 4.16Å; F855-L858 PolarHBondContact O-N 2.86Å
856V61Low67.6Low43 Ų4349 Ų4926%0.26124%0.24SC..Hα-helixtrans-49.2-35.2-173.9-178.10000112.7L853 L858 I859 Y913L853-V856 WeakPolarHBondContact O-CG2 3.32Å; V856-L858 VanDerWaalsContact C-N 3.28Å; V856-L858 PolarHBondContact O-N 2.95Å; V856-I859 PolarHBondContact O-N 2.83Å; V856-Y913 HydrophobicContact CG1-CG 4.15Å
857G64Low68.4Low18 Ų1845.8 Ų45.819%0.18623%0.226CC..Hα-helixtrans-67.4-12.8177.600000116.8F855 P861F855-G857 PolarHBondContact O-N 3.24Å; G857-P861 WeakPolarHBondContact O-CD 3.35Å
858L72.9Confident69.2Low4 Ų440.2 Ų40.22%0.02120%0.2CC..Hα-helixtrans-91.6-21.4173.7-71.5176.9000113.2I748 C772 W773 L776 L841 F855 V856 P861 A862I748-L858 HydrophobicContact CD1-CB 4.48Å; I748-L858 HydrophobicContact CD1-CD1 4.2Å; I748-L858 HydrophobicContact CD1-CD2 3.44Å; I748-L858 VanDerWaalsContact CD1-CD2 3.44Å; I748-L858 HydrophobicContact CD1-CG 3.37Å; I748-L858 HydrophobicContact CG1-CD1 4.43Å; I748-L858 HydrophobicContact CG1-CD2 4.45Å; I748-L858 HydrophobicContact CG1-CG 4.06Å; C772-L858 HydrophobicContact CB-CD1 3.9Å; C772-L858 HydrophobicContact CB-CD2 3.6Å; C772-L858 HydrophobicContact CB-CG 4.44Å; W773-L858 HydrophobicContact CB-CD2 3.88Å; L776-L858 HydrophobicContact CD1-CD2 4.08Å; L841-L858 HydrophobicContact CD1-CD1 4.49Å; F855-L858 HydrophobicContact CD1-CD1 4.16Å; F855-L858 PolarHBondContact O-N 2.86Å; V856-L858 VanDerWaalsContact C-N 3.28Å; V856-L858 PolarHBondContact O-N 2.95Å; L858-P861 WeakPolarHBondContact O-CD 3.41Å; L858-A862 WeakPolarHBondContact O-CB 3.4Å; L858-A862 PolarHBondContact O-N 3.06Å
859I77.4Confident70.4Confident3 Ų335.1 Ų35.12%0.01518%0.176CC..Hα-helixtrans-74.4-43.7-170.6-60.5176.2000111L842 F850 L853 V856 A862 Y863L842-I859 HydrophobicContact CD2-CG2 4.27Å; F850-I859 HydrophobicContact CD1-CD1 3.99Å; F850-I859 HydrophobicContact CE1-CD1 4.08Å; F850-I859 HydrophobicContact CE1-CG2 4.33Å; L853-I859 HydrophobicContact CD1-CD1 3.9Å; V856-I859 PolarHBondContact O-N 2.83Å; I859-A862 PolarHBondContact O-N 3.23Å; I859-Y863 HydrophobicContact CG2-CD2 3.61Å; I859-Y863 HydrophobicContact CG2-CE2 3.29Å; I859-Y863 VanDerWaalsContact O-CD2 3.32Å; I859-Y863 WeakPolarHBondContact O-CD2 3.37Å; I859-Y863 PolarHBondContact O-N 3.2Å
860E78Confident71.8Confident37 Ų3732.8 Ų32.817%0.17316%0.16CC..Hα-helixtrans-59.9-50.2176.3176.8-81.7159.100112.2A862 Y863 R864 E916 H920E860-A862 PolarHBondContact O-N 3.36Å; E860-Y863 PolarHBondContact O-N 3.22Å; E860-R864 WeakPolarHBondContact O-CB 3.46Å; E860-R864 PolarHBondContact O-N 2.86Å; E860-E916 HydrophobicContact CG-CB 4.31Å; E860-H920 IonicContact OE1-NE2 3.86Å; E860-H920 PolarHBondContact OE1-NE2 3.26Å
861P78.8Confident72.7Confident1 Ų134.2 Ų34.21%0.00618%0.175CC..Hα-helixtrans-62.4-31179-24.633.8000113.3L776 N780 G857 L858 F865L776-P861 HydrophobicContact CB-CB 3.76Å; L776-P861 HydrophobicContact CD1-CB 4.04Å; L776-P861 HydrophobicContact CG-CB 4.49Å; N780-P861 PolarHBondContact ND2-O 3.02Å; G857-P861 WeakPolarHBondContact O-CD 3.35Å; L858-P861 WeakPolarHBondContact O-CD 3.41Å; P861-F865 WeakPolarHBondContact O-CB 3.16Å; P861-F865 PolarHBondContact O-N 3.07Å
862A84.1Confident73.9Confident0 Ų029.7 Ų29.70%015%0.151CC..Hα-helixtrans-68.3-47.617500000111.9L776 V838 L841 L842 L858 I859 E860 R864 F865 C866L776-A862 HydrophobicContact CD1-CB 4.34Å; V838-A862 HydrophobicContact CG1-CB 3.98Å; L841-A862 HydrophobicContact CD2-CB 4.16Å; L842-A862 HydrophobicContact CD1-CB 4.4Å; L842-A862 HydrophobicContact CD2-CB 3.76Å; L842-A862 HydrophobicContact CG-CB 4.08Å; L858-A862 WeakPolarHBondContact O-CB 3.4Å; L858-A862 PolarHBondContact O-N 3.06Å; I859-A862 PolarHBondContact O-N 3.23Å; E860-A862 PolarHBondContact O-N 3.36Å; A862-R864 VanDerWaalsContact C-N 3.35Å; A862-R864 PolarHBondContact O-N 3.21Å; A862-F865 PolarHBondContact O-N 3.04Å; A862-C866 PolarHBondContact O-N 3.31Å; A862-C866 VanDerWaalsContact O-N 3.15Å
863Y86.5Confident75Confident0 Ų031.3 Ų31.30%015%0.152CC..Hα-helixtrans-63.4-40.5174.3-77.8-56.8000112.5L842 I859 E860 F865 C866 E867 H893 I897 C917 V921 M924L842-Y863 HydrophobicContact CD1-CD1 4.04Å; L842-Y863 HydrophobicContact CD1-CE1 4.08Å; L842-Y863 HydrophobicContact CD2-CD1 4.05Å; L842-Y863 HydrophobicContact CD2-CD2 4.15Å; L842-Y863 HydrophobicContact CD2-CE1 3.85Å; L842-Y863 HydrophobicContact CD2-CE2 3.96Å; L842-Y863 HydrophobicContact CD2-CG 4.18Å; I859-Y863 HydrophobicContact CG2-CD2 3.61Å; I859-Y863 HydrophobicContact CG2-CE2 3.29Å; I859-Y863 VanDerWaalsContact O-CD2 3.32Å; I859-Y863 WeakPolarHBondContact O-CD2 3.37Å; I859-Y863 PolarHBondContact O-N 3.2Å; E860-Y863 PolarHBondContact O-N 3.22Å; Y863-F865 VanDerWaalsContact C-N 3.29Å; Y863-F865 PolarHBondContact O-N 3.41Å; Y863-C866 PolarHBondContact O-N 3.49Å; Y863-E867 PolarHBondContact O-N 3.5Å; Y863-H893 AromaticContact CE1-ND1 3.9Å; Y863-H893 AromaticContact CZ-ND1 3.76Å; Y863-H893 PolarHBondContact OH-ND1 3.43Å; Y863-I897 HydrophobicContact CE2-CD1 4.11Å; Y863-C917 HydrophobicContact CD2-CB 3.77Å; Y863-C917 HydrophobicContact CE2-CB 3.95Å; Y863-V921 HydrophobicContact CD1-CG2 3.76Å; Y863-V921 HydrophobicContact CE1-CG2 3.67Å; Y863-V921 HydrophobicContact CG-CG2 4.31Å; Y863-M924 HydrophobicContact CD1-CE 3.86Å
864R84.4Confident76Confident77 Ų7730.8 Ų30.829%0.29115%0.151SC..Hα-helixtrans-59.7-40.4176-174.9178.6169.9-172.6-5.2111.9E860 A862 E867 Q868E860-R864 WeakPolarHBondContact O-CB 3.46Å; E860-R864 PolarHBondContact O-N 2.86Å; A862-R864 VanDerWaalsContact C-N 3.35Å; A862-R864 PolarHBondContact O-N 3.21Å; R864-E867 PolarHBondContact O-N 2.95Å; R864-Q868 VanDerWaalsContact O-CG 3.32Å; R864-Q868 WeakPolarHBondContact O-CG 3.31Å; R864-Q868 PolarHBondContact O-N 3.36Å
865F87.4Confident77.2Confident1 Ų125 Ų250%0.00413%0.126CC..Hα-helixtrans-63.6-46.2176.3177.5-110.5000111.4L779 N780 L783 A810 V835 V838 P861 A862 Y863 E867 Q868 L869L779-F865 HydrophobicContact CB-CD2 3.78Å; L779-F865 HydrophobicContact CB-CE2 3.69Å; L779-F865 HydrophobicContact CD1-CE2 4.25Å; L779-F865 HydrophobicContact CD1-CZ 4.32Å; L779-F865 HydrophobicContact CD2-CE2 4.39Å; L779-F865 HydrophobicContact CG-CE2 4.33Å; N780-F865 WeakPolarHBondContact OD1-CA 3.47Å; N780-F865 PolarHBondContact OD1-N 3.12Å; L783-F865 HydrophobicContact CD1-CD2 3.62Å; L783-F865 HydrophobicContact CD1-CE2 3.52Å; L783-F865 HydrophobicContact CG-CE2 4.48Å; A810-F865 HydrophobicContact CB-CZ 4.17Å; V835-F865 HydrophobicContact CG2-CE1 4.31Å; V838-F865 HydrophobicContact CG1-CD1 4.34Å; V838-F865 HydrophobicContact CG2-CD1 4.31Å; V838-F865 HydrophobicContact CG2-CE1 4.49Å; P861-F865 WeakPolarHBondContact O-CB 3.16Å; P861-F865 PolarHBondContact O-N 3.07Å; A862-F865 PolarHBondContact O-N 3.04Å; Y863-F865 VanDerWaalsContact C-N 3.29Å; Y863-F865 PolarHBondContact O-N 3.41Å; F865-E867 PolarHBondContact O-N 3.3Å; F865-Q868 PolarHBondContact O-N 3.22Å; F865-L869 HydrophobicContact CD1-CD1 4.12Å; F865-L869 HydrophobicContact CE1-CD1 3.61Å; F865-L869 HydrophobicContact CE1-CG 4.49Å; F865-L869 HydrophobicContact CE2-CD1 4.33Å; F865-L869 HydrophobicContact CE2-CG 4.44Å; F865-L869 HydrophobicContact CZ-CD1 3.74Å; F865-L869 HydrophobicContact CZ-CG 4.31Å; F865-L869 WeakPolarHBondContact O-CG 3.28Å; F865-L869 PolarHBondContact O-N 3.07Å; F865-L869 VanDerWaalsContact O-N 3.07Å
866C87.3Confident78.2Confident3 Ų322.4 Ų22.42%0.0212%0.115CC..Hα-helixtrans-61.9-40.8174.8-66.60000112.5A862 Y863 L869 T870 M924A862-C866 PolarHBondContact O-N 3.31Å; A862-C866 VanDerWaalsContact O-N 3.15Å; Y863-C866 PolarHBondContact O-N 3.49Å; C866-L869 PolarHBondContact O-N 3.44Å; C866-T870 WeakPolarHBondContact O-CG2 3.36Å; C866-T870 PolarHBondContact O-N 3.3Å; C866-T870 PolarHBondContact O-OG1 3.15Å; C866-M924 HydrophobicContact CB-CE 4.42Å; C866-M924 HydrophobicContact CB-SD 3.51Å; C866-M924 VanDerWaalsContact CB-SD 3.51Å
867E84.9Confident79Confident14 Ų1422.1 Ų22.17%0.06511%0.113CC..Hα-helixtrans-61.4-43.6174.9-170.7-139.9111.500112.1R787 Y863 R864 F865 L869 T870 A871 H920 N923 M924R787-E867 IonicContact CZ-OE1 2.8Å; R787-E867 IonicContact NH1-OE1 2.9Å; R787-E867 PolarHBondContact NH1-OE1 3.08Å; R787-E867 IonicContact NH2-OE1 3.15Å; R787-E867 PolarHBondContact NH2-OE1 3.28Å; R787-E867 VanDerWaalsContact NH2-OE1 3.12Å; Y863-E867 PolarHBondContact O-N 3.5Å; R864-E867 PolarHBondContact O-N 2.95Å; F865-E867 PolarHBondContact O-N 3.3Å; E867-L869 VanDerWaalsContact C-N 3.32Å; E867-L869 PolarHBondContact O-N 3.35Å; E867-T870 WeakPolarHBondContact CA-OG1 3.26Å; E867-T870 PolarHBondContact O-N 3.48Å; E867-T870 PolarHBondContact O-OG1 2.94Å; E867-A871 WeakPolarHBondContact O-CB 3.23Å; E867-A871 PolarHBondContact O-N 3.35Å; E867-H920 HydrophobicContact CB-CB 4.44Å; E867-H920 IonicContact OE2-CE1 3.24Å; E867-H920 IonicContact OE2-CG 2.63Å; E867-H920 IonicContact OE2-ND1 2.69Å; E867-H920 PolarHBondContact OE2-ND1 3.04Å; E867-N923 HydrophobicContact CG-CB 3.65Å; E867-N923 PolarHBondContact OE2-ND2 2.87Å; E867-N923 VanDerWaalsContact OE2-ND2 3.16Å; E867-M924 HydrophobicContact CB-CG 4.13Å; E867-M924 HydrophobicContact CG-CG 4.44Å
868Q82.1Confident79.8Confident7 Ų721.4 Ų21.43%0.03311%0.105CC..Hα-helixtrans-65.3-37.2178.8-72.7-179.5-3.900112.1N780 L783 R864 F865 L872N780-Q868 PolarHBondContact O-OE1 3.31Å; N780-Q868 VanDerWaalsContact O-OE1 3.1Å; N780-Q868 PolarHBondContact OD1-OE1 3.36Å; L783-Q868 HydrophobicContact CB-CB 4.25Å; L783-Q868 VanDerWaalsContact CB-OE1 3.23Å; L783-Q868 HydrophobicContact CD1-CB 3.91Å; R864-Q868 VanDerWaalsContact O-CG 3.32Å; R864-Q868 WeakPolarHBondContact O-CG 3.31Å; R864-Q868 PolarHBondContact O-N 3.36Å; F865-Q868 PolarHBondContact O-N 3.22Å; Q868-L872 WeakPolarHBondContact O-CG 3.43Å; Q868-L872 PolarHBondContact O-N 3.19Å
869L83.5Confident80.4Confident1 Ų121.2 Ų21.21%0.00510%0.104CC..Hα-helixtrans-67.6-37.4173.9-70.7177.3000112.9L783 L807 Y812 V835 F865 C866 E867 T875 A876 I879L783-L869 HydrophobicContact CD1-CD2 3.89Å; L783-L869 HydrophobicContact CD1-CG 4.09Å; L783-L869 HydrophobicContact CD2-CD2 4.32Å; L807-L869 HydrophobicContact CD2-CD2 3.67Å; Y812-L869 HydrophobicContact CE2-CD2 4.23Å; V835-L869 HydrophobicContact CG2-CD1 4.18Å; F865-L869 HydrophobicContact CD1-CD1 4.12Å; F865-L869 HydrophobicContact CE1-CD1 3.61Å; F865-L869 HydrophobicContact CE1-CG 4.49Å; F865-L869 HydrophobicContact CE2-CD1 4.33Å; F865-L869 HydrophobicContact CE2-CG 4.44Å; F865-L869 HydrophobicContact CZ-CD1 3.74Å; F865-L869 HydrophobicContact CZ-CG 4.31Å; F865-L869 WeakPolarHBondContact O-CG 3.28Å; F865-L869 PolarHBondContact O-N 3.07Å; F865-L869 VanDerWaalsContact O-N 3.07Å; C866-L869 PolarHBondContact O-N 3.44Å; E867-L869 VanDerWaalsContact C-N 3.32Å; E867-L869 PolarHBondContact O-N 3.35Å; L869-T875 PolarHBondContact O-OG1 2.99Å; L869-A876 PolarHBondContact O-N 3.24Å; L869-I879 HydrophobicContact CB-CG1 4.47Å; L869-I879 HydrophobicContact CB-CG2 4.4Å; L869-I879 HydrophobicContact CD1-CD1 4.48Å
870T81.9Confident80.6Confident2 Ų221.2 Ų21.21%0.01210%0.104CC..Hα-helixtrans-74.7-26.6178.2570000112.8C866 E867 A876 I879 L880 L883 M924C866-T870 WeakPolarHBondContact O-CG2 3.36Å; C866-T870 PolarHBondContact O-N 3.3Å; C866-T870 PolarHBondContact O-OG1 3.15Å; E867-T870 WeakPolarHBondContact CA-OG1 3.26Å; E867-T870 PolarHBondContact O-N 3.48Å; E867-T870 PolarHBondContact O-OG1 2.94Å; T870-A876 WeakPolarHBondContact O-CB 3.39Å; T870-I879 HydrophobicContact CG2-CG2 3.71Å; T870-L880 HydrophobicContact CG2-CD2 3.78Å; T870-L880 HydrophobicContact CG2-CG 4.25Å; T870-L883 HydrophobicContact CG2-CD1 4.12Å; T870-M924 HydrophobicContact CG2-CG 4.2Å; T870-M924 HydrophobicContact CG2-SD 4.48Å
871A76.4Confident80.6Confident48 Ų4826.1 Ų26.140%0.39712%0.121SC..Hα-helixtrans-84.3-16.5179.300000114.8E867E867-A871 WeakPolarHBondContact O-CB 3.23Å; E867-A871 PolarHBondContact O-N 3.35Å
872L74.9Confident80.7Confident25 Ų2528 Ų2813%0.13113%0.128CC..SBendtrans-83.6116.2175.1-75.9169.7000109.7L783 V786 Q868 A874 T875 A876L783-L872 HydrophobicContact CD2-CD1 3.88Å; V786-L872 HydrophobicContact CG1-CD2 4.03Å; Q868-L872 WeakPolarHBondContact O-CG 3.43Å; Q868-L872 PolarHBondContact O-N 3.19Å; L872-A874 PolarHBondContact O-N 2.94Å; L872-T875 VanDerWaalsContact CB-OG1 3.26Å; L872-T875 WeakPolarHBondContact CB-OG1 3.46Å; L872-T875 PolarHBondContact O-N 3.22Å; L872-T875 PolarHBondContact O-OG1 3.42Å; L872-A876 WeakPolarHBondContact O-CB 3.28Å; L872-A876 PolarHBondContact O-N 3.01Å
873Y71.2Confident80.6Confident173 Ų17328 Ų2868%0.67813%0.128SC*.Hα-helixtrans-51.4-36-178.5-178.2-99.4000113.5T875Y873-T875 VanDerWaalsContact C-N 3.33Å; Y873-T875 PolarHBondContact O-N 2.74Å
874A69.6Low80.1Confident14 Ų1430.6 Ų30.612%0.11614%0.138CC..Hα-helixtrans-67.3-27.2-179.200000114.5P817 Q818 L872P817-A874 CarbonylContact C-O 3.54Å; P817-A874 VanDerWaalsContact C-O 3.29Å; P817-A874 HydrophobicContact CB-CB 4.36Å; P817-A874 HydrophobicContact CG-CB 3.86Å; Q818-A874 VanDerWaalsContact CA-O 3.28Å; Q818-A874 WeakPolarHBondContact CA-O 3.21Å; Q818-A874 WeakPolarHBondContact CG-O 3.34Å; Q818-A874 PolarHBondContact N-O 3.04Å; Q818-A874 VanDerWaalsContact N-O 3.11Å; L872-A874 PolarHBondContact O-N 2.94Å
875T77.5Confident79.7Confident0 Ų030 Ų300%015%0.15CC..Hα-helixtrans-118.1-15.6-171.151.50000113.2L807 Y812 P817 L869 L872 Y873 V877 P878 I879L807-T875 HydrophobicContact CD1-CG2 4.02Å; L807-T875 HydrophobicContact CD2-CG2 3.42Å; L807-T875 VanDerWaalsContact CD2-CG2 3.42Å; L807-T875 HydrophobicContact CG-CG2 4.33Å; Y812-T875 HydrophobicContact CD1-CG2 3.97Å; Y812-T875 HydrophobicContact CE1-CG2 3.8Å; Y812-T875 HydrophobicContact CG-CG2 4.42Å; Y812-T875 PolarHBondContact OH-O 3.35Å; P817-T875 HydrophobicContact CB-CG2 4.22Å; L869-T875 PolarHBondContact O-OG1 2.99Å; L872-T875 VanDerWaalsContact CB-OG1 3.26Å; L872-T875 WeakPolarHBondContact CB-OG1 3.46Å; L872-T875 PolarHBondContact O-N 3.22Å; L872-T875 PolarHBondContact O-OG1 3.42Å; Y873-T875 VanDerWaalsContact C-N 3.33Å; Y873-T875 PolarHBondContact O-N 2.74Å; T875-V877 PolarHBondContact O-N 3.37Å; T875-P878 WeakPolarHBondContact O-CD 3.32Å; T875-I879 WeakPolarHBondContact O-CG2 3.41Å; T875-I879 PolarHBondContact O-N 3.11Å
876A78.7Confident79Confident0 Ų031.7 Ų31.70%016%0.158CC..Hα-helixtrans-57.8-44.2-176.400000112.7L869 T870 L872 I879 L880 H931L869-A876 PolarHBondContact O-N 3.24Å; T870-A876 WeakPolarHBondContact O-CB 3.39Å; L872-A876 WeakPolarHBondContact O-CB 3.28Å; L872-A876 PolarHBondContact O-N 3.01Å; A876-I879 WeakPolarHBondContact O-CG2 3.19Å; A876-I879 PolarHBondContact O-N 3.09Å; A876-L880 HydrophobicContact CB-CD1 4.4Å; A876-L880 WeakPolarHBondContact O-CB 3.13Å; A876-L880 WeakPolarHBondContact O-CD1 3.43Å; A876-L880 WeakPolarHBondContact O-CG 3.4Å; A876-L880 PolarHBondContact O-N 3.35Å; A876-H931 WeakPolarHBondContact CB-NE2 3.43Å
877V77.8Confident78.1Confident37 Ų3739 Ų3922%0.22420%0.197CC..Hα-helixtrans-63.8-51.5-177.5176.20000112.1T875 R881T875-V877 PolarHBondContact O-N 3.37Å; V877-R881 WeakPolarHBondContact O-CB 3.42Å; V877-R881 PolarHBondContact O-N 3.49Å; V877-R881 VanDerWaalsContact O-N 3.12Å
878P81.6Confident77.3Confident3 Ų341.6 Ų41.62%0.01921%0.212CC..Hα-helixtrans-59.9-44.2174.9-26.332.1000114.9Y812 P817 T820 L822 T875 R881 R882Y812-P878 HydrophobicContact CE1-CB 3.78Å; Y812-P878 HydrophobicContact CE1-CG 4Å; P817-P878 WeakPolarHBondContact O-CG 3.49Å; T820-P878 WeakPolarHBondContact O-CB 3.25Å; L822-P878 HydrophobicContact CD1-CB 4.19Å; L822-P878 HydrophobicContact CG-CB 4.42Å; T875-P878 WeakPolarHBondContact O-CD 3.32Å; P878-R881 PolarHBondContact O-N 2.86Å; P878-R882 PolarHBondContact O-N 2.72Å; P878-R882 VanDerWaalsContact O-N 3.11Å
879I84.4Confident77.2Confident0 Ų041.7 Ų41.70%021%0.212CC..Hα-helixtrans-69.8-44.2-176.8-166.162.5000111.5Y812 L822 V835 L869 T870 T875 A876 R881 R882 L883Y812-I879 WeakPolarHBondContact OH-CB 3.46Å; L822-I879 HydrophobicContact CD1-CD1 4.22Å; V835-I879 HydrophobicContact CG1-CD1 3.8Å; L869-I879 HydrophobicContact CB-CG1 4.47Å; L869-I879 HydrophobicContact CB-CG2 4.4Å; L869-I879 HydrophobicContact CD1-CD1 4.48Å; T870-I879 HydrophobicContact CG2-CG2 3.71Å; T875-I879 WeakPolarHBondContact O-CG2 3.41Å; T875-I879 PolarHBondContact O-N 3.11Å; A876-I879 WeakPolarHBondContact O-CG2 3.19Å; A876-I879 PolarHBondContact O-N 3.09Å; I879-R881 VanDerWaalsContact C-N 3.26Å; I879-R881 PolarHBondContact O-N 3.23Å; I879-R882 WeakPolarHBondContact O-CA 2.98Å; I879-R882 WeakPolarHBondContact O-CB 3.41Å; I879-R882 PolarHBondContact O-N 3.26Å; I879-L883 HydrophobicContact CG1-CD1 4.16Å; I879-L883 HydrophobicContact CG1-CG 4.29Å; I879-L883 WeakPolarHBondContact O-CG 3.45Å; I879-L883 PolarHBondContact O-N 2.89Å
880L81.6Confident76.9Confident2 Ų241.8 Ų41.81%0.0121%0.213CC..Hα-helixtrans-63.2-37.2178.8-70.7172.3000110.6T870 A876 R882 L883 R884 I890 E928 H931T870-L880 HydrophobicContact CG2-CD2 3.78Å; T870-L880 HydrophobicContact CG2-CG 4.25Å; A876-L880 HydrophobicContact CB-CD1 4.4Å; A876-L880 WeakPolarHBondContact O-CB 3.13Å; A876-L880 WeakPolarHBondContact O-CD1 3.43Å; A876-L880 WeakPolarHBondContact O-CG 3.4Å; A876-L880 PolarHBondContact O-N 3.35Å; L880-R882 VanDerWaalsContact C-N 3.32Å; L880-R882 PolarHBondContact O-N 3.25Å; L880-L883 HydrophobicContact CD2-CD1 4.46Å; L880-L883 PolarHBondContact O-N 3.06Å; L880-R884 WeakPolarHBondContact O-CG 3.17Å; L880-R884 PolarHBondContact O-N 3.29Å; L880-I890 HydrophobicContact CD2-CD1 4.33Å; L880-E928 HydrophobicContact CD2-CB 3.85Å; L880-E928 HydrophobicContact CD2-CG 4.22Å; L880-H931 HydrophobicContact CD1-CB 3.82Å; L880-H931 VanDerWaalsContact CD1-CD2 3.47Å; L880-H931 WeakPolarHBondContact CD1-CD2 3.34Å
881R78.7Confident76.5Confident140 Ų14042.2 Ų42.253%0.52822%0.215SC..Hα-helixtrans-60.4-41.8172.4-170.6-175.2-60.3157.12.8111.9V877 P878 I879 A885V877-R881 WeakPolarHBondContact O-CB 3.42Å; V877-R881 PolarHBondContact O-N 3.49Å; V877-R881 VanDerWaalsContact O-N 3.12Å; P878-R881 PolarHBondContact O-N 2.86Å; I879-R881 VanDerWaalsContact C-N 3.26Å; I879-R881 PolarHBondContact O-N 3.23Å; R881-A885 PolarHBondContact O-N 2.96Å
882R80.3Confident76.4Confident40 Ų4041.5 Ų41.515%0.15121%0.209CC..Hα-helixtrans-68.7-42.7177.1-178.158.7178.4146.64.4112.2L822 L839 P878 I879 L880 R884 A885 L886L822-R882 HydrophobicContact CB-CB 4.33Å; L822-R882 HydrophobicContact CB-CG 4.48Å; L822-R882 HydrophobicContact CD1-CB 4.32Å; L839-R882 HydrophobicContact CD1-CG 4.17Å; P878-R882 PolarHBondContact O-N 2.72Å; P878-R882 VanDerWaalsContact O-N 3.11Å; I879-R882 WeakPolarHBondContact O-CA 2.98Å; I879-R882 WeakPolarHBondContact O-CB 3.41Å; I879-R882 PolarHBondContact O-N 3.26Å; L880-R882 VanDerWaalsContact C-N 3.32Å; L880-R882 PolarHBondContact O-N 3.25Å; R882-R884 VanDerWaalsContact C-N 3.33Å; R882-R884 PolarHBondContact O-N 3.34Å; R882-A885 WeakPolarHBondContact O-CB 3.4Å; R882-A885 PolarHBondContact O-N 3.28Å; R882-A885 VanDerWaalsContact O-N 3.15Å; R882-L886 PolarHBondContact O-N 3.06Å
883L82Confident76.7Confident2 Ų240.7 Ų40.71%0.0120%0.204CC..Hα-helixtrans-62.6-38.3177.3-68.2175.3000112L839 T870 I879 L880 A885 L886 F889 I890L839-L883 HydrophobicContact CD2-CD2 3.6Å; T870-L883 HydrophobicContact CG2-CD1 4.12Å; I879-L883 HydrophobicContact CG1-CD1 4.16Å; I879-L883 HydrophobicContact CG1-CG 4.29Å; I879-L883 WeakPolarHBondContact O-CG 3.45Å; I879-L883 PolarHBondContact O-N 2.89Å; L880-L883 HydrophobicContact CD2-CD1 4.46Å; L880-L883 PolarHBondContact O-N 3.06Å; L883-A885 VanDerWaalsContact C-N 3.31Å; L883-A885 PolarHBondContact O-N 2.78Å; L883-L886 PolarHBondContact O-N 3.17Å; L883-F889 HydrophobicContact CD2-CD1 3.68Å; L883-F889 HydrophobicContact CD2-CE1 3.97Å; L883-F889 HydrophobicContact CD2-CG 4.14Å; L883-I890 HydrophobicContact CB-CD1 4.37Å; L883-I890 HydrophobicContact CD1-CD1 4.01Å; L883-I890 HydrophobicContact CD1-CG1 4.41Å
884R75Confident76.9Confident53 Ų5332.5 Ų32.520%0.217%0.172CC..Hα-helixtrans-65.6-32.6173.2-72.2178-157.9148.710.8113.3L880 R882 L886 E928 R937 E940L880-R884 WeakPolarHBondContact O-CG 3.17Å; L880-R884 PolarHBondContact O-N 3.29Å; R882-R884 VanDerWaalsContact C-N 3.33Å; R882-R884 PolarHBondContact O-N 3.34Å; R884-L886 PolarHBondContact O-N 3.27Å; R884-E928 VanDerWaalsContact CG-OE1 3.24Å; R884-E928 WeakPolarHBondContact CG-OE1 3.5Å; R884-E928 IonicContact CZ-OE1 2.65Å; R884-E928 IonicContact NE-OE1 3.97Å; R884-E928 PolarHBondContact NE-OE1 2.82Å; R884-E928 IonicContact NH2-OE1 3.77Å; R884-R937 VanDerWaalsContact NH1-NH2 3.16Å; R884-E940 IonicContact NH1-OE2 3.98Å
885A76.1Confident77Confident65 Ų6535.7 Ų35.754%0.53718%0.183SC..THydrogen-bonded Turntrans-71.7-12.717700000113.4R881 R882 L883R881-A885 PolarHBondContact O-N 2.96Å; R882-A885 WeakPolarHBondContact O-CB 3.4Å; R882-A885 PolarHBondContact O-N 3.28Å; R882-A885 VanDerWaalsContact O-N 3.15Å; L883-A885 VanDerWaalsContact C-N 3.31Å; L883-A885 PolarHBondContact O-N 2.78Å
886L73.2Confident76.8Confident36 Ų3636.9 Ų36.919%0.18819%0.194CC..THydrogen-bonded Turntrans-99.367.5176.9-66.7172.3000110.2L839 R882 L883 R884 N888 F889L839-L886 HydrophobicContact CB-CD1 4.36Å; L839-L886 HydrophobicContact CD1-CD1 3.85Å; L839-L886 HydrophobicContact CD2-CD1 4.3Å; L839-L886 HydrophobicContact CG-CD1 4.39Å; R882-L886 PolarHBondContact O-N 3.06Å; L883-L886 PolarHBondContact O-N 3.17Å; R884-L886 PolarHBondContact O-N 3.27Å; L886-N888 PolarHBondContact O-N 3.25Å; L886-N888 VanDerWaalsContact O-N 3.07Å; L886-F889 HydrophobicContact CB-CB 4.16Å; L886-F889 WeakPolarHBondContact O-CA 3.33Å; L886-F889 WeakPolarHBondContact O-CB 3.32Å; L886-F889 PolarHBondContact O-N 3.13Å
887D68.5Low76.6Confident157 Ų15736.9 Ų36.984%0.8419%0.194SC*.THydrogen-bonded Turntrans33.359.9171.6-68.1-21.4000115.7F889D887-F889 VanDerWaalsContact C-N 3.33Å; D887-F889 PolarHBondContact O-N 3.44Å
888N67.5Low76.1Confident69 Ų6935.2 Ų35.237%0.36918%0.184SC..THydrogen-bonded Turntrans57.140.2179.5-70.4-26.6000114.3L886 I890 L891 A892L886-N888 PolarHBondContact O-N 3.25Å; L886-N888 VanDerWaalsContact O-N 3.07Å; N888-I890 VanDerWaalsContact C-N 3.31Å; N888-I890 PolarHBondContact O-N 3.19Å; N888-I890 VanDerWaalsContact O-N 3.12Å; N888-L891 HydrophobicContact CB-CB 4.34Å; N888-L891 HydrophobicContact CB-CD1 4.33Å; N888-L891 PolarHBondContact O-N 3.26Å; N888-A892 PolarHBondContact O-N 3.04Å
889F80.5Confident75.6Confident9 Ų937.6 Ų37.64%0.03920%0.196CC..Hα-helixtrans-37.8-54.6-179.9-176.5-91.3000114.1L839 L842 L883 L886 D887 L891 A892 H893L839-F889 HydrophobicContact CD2-CE2 4.3Å; L839-F889 HydrophobicContact CD2-CZ 4.11Å; L842-F889 HydrophobicContact CB-CE2 4.3Å; L842-F889 HydrophobicContact CB-CZ 3.94Å; L842-F889 HydrophobicContact CD1-CZ 3.88Å; L883-F889 HydrophobicContact CD2-CD1 3.68Å; L883-F889 HydrophobicContact CD2-CE1 3.97Å; L883-F889 HydrophobicContact CD2-CG 4.14Å; L886-F889 HydrophobicContact CB-CB 4.16Å; L886-F889 WeakPolarHBondContact O-CA 3.33Å; L886-F889 WeakPolarHBondContact O-CB 3.32Å; L886-F889 PolarHBondContact O-N 3.13Å; D887-F889 VanDerWaalsContact C-N 3.33Å; D887-F889 PolarHBondContact O-N 3.44Å; F889-L891 PolarHBondContact O-N 3.41Å; F889-A892 PolarHBondContact O-N 3.3Å; F889-H893 AromaticContact CD2-CD2 3.89Å; F889-H893 AromaticContact CD2-NE2 3.58Å; F889-H893 AromaticContact CE2-CD2 3.94Å; F889-H893 AromaticContact CE2-CE1 3.59Å; F889-H893 AromaticContact CE2-NE2 3.31Å; F889-H893 VanDerWaalsContact CE2-NE2 3.31Å; F889-H893 WeakPolarHBondContact CE2-NE2 3.35Å; F889-H893 AromaticContact CZ-CE1 3.7Å; F889-H893 AromaticContact CZ-NE2 3.81Å; F889-H893 WeakPolarHBondContact O-CB 3.5Å; F889-H893 PolarHBondContact O-CD2 3.14Å; F889-H893 PolarHBondContact O-N 3.37Å
890I77.6Confident74.9Confident3 Ų339.6 Ų39.62%0.01521%0.205CC..Hα-helixtrans-62.2-44.2-176-67.3167000111.2L880 L883 N888 M894 M924 A925 E928L880-I890 HydrophobicContact CD2-CD1 4.33Å; L883-I890 HydrophobicContact CB-CD1 4.37Å; L883-I890 HydrophobicContact CD1-CD1 4.01Å; L883-I890 HydrophobicContact CD1-CG1 4.41Å; N888-I890 VanDerWaalsContact C-N 3.31Å; N888-I890 PolarHBondContact O-N 3.19Å; N888-I890 VanDerWaalsContact O-N 3.12Å; I890-M894 HydrophobicContact CG2-CE 4.43Å; I890-M894 VanDerWaalsContact O-CB 3.26Å; I890-M894 WeakPolarHBondContact O-CB 3.46Å; I890-M894 PolarHBondContact O-N 3.26Å; I890-M924 HydrophobicContact CD1-CB 4.41Å; I890-A925 HydrophobicContact CG2-CB 3.75Å; I890-E928 HydrophobicContact CD1-CB 4.49Å; I890-E928 WeakPolarHBondContact CD1-OE2 3.46Å
891L72.7Confident74.3Confident11 Ų1139.8 Ų39.86%0.05821%0.206CC..Hα-helixtrans-72.2-40.1-179.3-65.8168.1000111.9N888 F889 M894 K895 Y944 F947N888-L891 HydrophobicContact CB-CB 4.34Å; N888-L891 HydrophobicContact CB-CD1 4.33Å; N888-L891 PolarHBondContact O-N 3.26Å; F889-L891 PolarHBondContact O-N 3.41Å; L891-M894 PolarHBondContact O-N 3.37Å; L891-K895 PolarHBondContact O-N 3.1Å; L891-Y944 HydrophobicContact CD1-CD1 4.41Å; L891-Y944 HydrophobicContact CD1-CD2 4.26Å; L891-Y944 HydrophobicContact CD1-CE1 4.1Å; L891-Y944 HydrophobicContact CD1-CE2 3.91Å; L891-Y944 HydrophobicContact CD1-CG 4.45Å; L891-Y944 HydrophobicContact CD2-CD1 3.76Å; L891-Y944 HydrophobicContact CD2-CE1 3.65Å; L891-Y944 HydrophobicContact CD2-CG 4.41Å; L891-Y944 HydrophobicContact CG-CD1 4.33Å; L891-Y944 HydrophobicContact CG-CE1 3.82Å; L891-Y944 HydrophobicContact CG-CE2 4.47Å; L891-F947 HydrophobicContact CB-CE1 4.44Å; L891-F947 HydrophobicContact CD2-CB 4.24Å; L891-F947 HydrophobicContact CD2-CD1 3.35Å; L891-F947 HydrophobicContact CD2-CE1 3.81Å; L891-F947 HydrophobicContact CD2-CG 3.93Å; L891-F947 HydrophobicContact CG-CD1 4.49Å
892A75.3Confident73.7Confident33 Ų3334.6 Ų34.627%0.27319%0.188SC..Hα-helixtrans-62.5-47.7177.800000111.4F846 N888 F889 K895 A896F846-A892 HydrophobicContact CE2-CB 4.46Å; F846-A892 WeakPolarHBondContact CE2-O 3.47Å; F846-A892 HydrophobicContact CZ-CB 4.25Å; N888-A892 PolarHBondContact O-N 3.04Å; F889-A892 PolarHBondContact O-N 3.3Å; A892-K895 WeakPolarHBondContact O-CB 3.34Å; A892-K895 PolarHBondContact O-N 3.49Å; A892-A896 PolarHBondContact O-N 2.92Å; A892-A896 VanDerWaalsContact O-N 3.07Å
893H80.1Confident73.2Confident7 Ų739.9 Ų39.93%0.03222%0.215CC..Hα-helixtrans-66.8-40.7178.5-76.1-117.8000111.8F846 Y863 F889 K895 A896 I897F846-H893 AromaticContact CD2-CD2 3.94Å; F846-H893 AromaticContact CD2-NE2 3.89Å; F846-H893 AromaticContact CG-NE2 3.98Å; Y863-H893 AromaticContact CE1-ND1 3.9Å; Y863-H893 AromaticContact CZ-ND1 3.76Å; Y863-H893 PolarHBondContact OH-ND1 3.43Å; F889-H893 AromaticContact CD2-CD2 3.89Å; F889-H893 AromaticContact CD2-NE2 3.58Å; F889-H893 AromaticContact CE2-CD2 3.94Å; F889-H893 AromaticContact CE2-CE1 3.59Å; F889-H893 AromaticContact CE2-NE2 3.31Å; F889-H893 VanDerWaalsContact CE2-NE2 3.31Å; F889-H893 WeakPolarHBondContact CE2-NE2 3.35Å; F889-H893 AromaticContact CZ-CE1 3.7Å; F889-H893 AromaticContact CZ-NE2 3.81Å; F889-H893 WeakPolarHBondContact O-CB 3.5Å; F889-H893 PolarHBondContact O-CD2 3.14Å; F889-H893 PolarHBondContact O-N 3.37Å; H893-K895 VanDerWaalsContact C-N 3.31Å; H893-K895 PolarHBondContact O-N 3.41Å; H893-A896 PolarHBondContact O-N 3.33Å; H893-I897 WeakPolarHBondContact O-CB 3.33Å; H893-I897 VanDerWaalsContact O-CG1 3.26Å; H893-I897 WeakPolarHBondContact O-CG1 3.21Å; H893-I897 PolarHBondContact O-N 3.45Å
894M75.7Confident72.3Confident1 Ų141 Ų411%0.00523%0.226CC..Hα-helixtrans-59.7-41174-170-176.1-61.300111.9I890 L891 G898 M918 V921 A925 F947 L948 L964 L968I890-M894 HydrophobicContact CG2-CE 4.43Å; I890-M894 VanDerWaalsContact O-CB 3.26Å; I890-M894 WeakPolarHBondContact O-CB 3.46Å; I890-M894 PolarHBondContact O-N 3.26Å; L891-M894 PolarHBondContact O-N 3.37Å; M894-G898 PolarHBondContact O-N 2.91Å; M894-M918 HydrophobicContact CG-SD 4.14Å; M894-V921 HydrophobicContact CB-CG1 3.95Å; M894-V921 HydrophobicContact CE-CG1 4.31Å; M894-A925 HydrophobicContact CE-CB 3.42Å; M894-A925 VanDerWaalsContact CE-CB 3.42Å; M894-F947 HydrophobicContact SD-CE1 4.31Å; M894-L948 HydrophobicContact SD-CD2 4.43Å; M894-L964 HydrophobicContact SD-CD2 4.45Å; M894-L968 HydrophobicContact CG-CD1 4.27Å; M894-L968 HydrophobicContact SD-CD1 4.04Å
895K71.6Confident71.8Confident81 Ų8144 Ų4435%0.35225%0.246SC..Hα-helixtrans-62.8-50.2176.5-164.2-177.7179.6176.90111.9L891 A892 H893 L899 F947 M954L891-K895 PolarHBondContact O-N 3.1Å; A892-K895 WeakPolarHBondContact O-CB 3.34Å; A892-K895 PolarHBondContact O-N 3.49Å; H893-K895 VanDerWaalsContact C-N 3.31Å; H893-K895 PolarHBondContact O-N 3.41Å; K895-L899 HydrophobicContact CG-CD1 4.12Å; K895-L899 WeakPolarHBondContact O-CB 3.14Å; K895-L899 WeakPolarHBondContact O-CD1 3.31Å; K895-L899 VanDerWaalsContact O-CG 3.28Å; K895-L899 WeakPolarHBondContact O-CG 3.36Å; K895-L899 PolarHBondContact O-N 3.25Å; K895-F947 HydrophobicContact CB-CE2 4.28Å; K895-F947 HydrophobicContact CB-CZ 3.85Å; K895-F947 HydrophobicContact CD-CE2 4.26Å; K895-F947 HydrophobicContact CG-CE2 4.33Å; K895-F947 HydrophobicContact CG-CZ 4.24Å; K895-M954 HydrophobicContact CG-CE 3.64Å
896A73.2Confident71.1Confident26 Ų2642 Ų4222%0.21523%0.228CC..Hα-helixtrans-68.5-45.1-173.900000112.4F846 A892 H893 K900F846-A896 HydrophobicContact CD2-CB 3.99Å; F846-A896 HydrophobicContact CE2-CB 3.36Å; F846-A896 HydrophobicContact CZ-CB 4.19Å; A892-A896 PolarHBondContact O-N 2.92Å; A892-A896 VanDerWaalsContact O-N 3.07Å; H893-A896 PolarHBondContact O-N 3.33Å; A896-K900 PolarHBondContact O-N 3.11Å
897I74.6Confident70.4Confident0 Ų044 Ų440%025%0.245CC..Hα-helixtrans-66.1-43.6177.4-60.3168.6000109.5F850 Y863 H893 L899 K900 I901 L914 C917 M918 V921F850-I897 HydrophobicContact CE2-CG1 3.99Å; F850-I897 HydrophobicContact CZ-CD1 4.24Å; F850-I897 HydrophobicContact CZ-CG1 3.65Å; Y863-I897 HydrophobicContact CE2-CD1 4.11Å; H893-I897 WeakPolarHBondContact O-CB 3.33Å; H893-I897 VanDerWaalsContact O-CG1 3.26Å; H893-I897 WeakPolarHBondContact O-CG1 3.21Å; H893-I897 PolarHBondContact O-N 3.45Å; I897-L899 PolarHBondContact O-N 3.31Å; I897-K900 PolarHBondContact O-N 3.02Å; I897-K900 VanDerWaalsContact O-N 3.15Å; I897-I901 HydrophobicContact CG2-CD1 3.71Å; I897-I901 HydrophobicContact CG2-CG1 4.22Å; I897-I901 WeakPolarHBondContact O-CG1 3.4Å; I897-I901 PolarHBondContact O-N 3.31Å; I897-L914 HydrophobicContact CG2-CB 4.39Å; I897-L914 HydrophobicContact CG2-CD2 4.34Å; I897-C917 HydrophobicContact CD1-CB 4.47Å; I897-M918 HydrophobicContact CB-CE 3.96Å; I897-M918 HydrophobicContact CG2-CB 4.03Å; I897-M918 HydrophobicContact CG2-CE 3.89Å; I897-V921 HydrophobicContact CD1-CG2 4.11Å
898G68.9Low70.2Confident2 Ų239.9 Ų39.92%0.02122%0.223CC..Hα-helixtrans-60.8-42.5-179.100000112.9M894 K900 I901 I902M894-G898 PolarHBondContact O-N 2.91Å; G898-K900 VanDerWaalsContact C-N 3.34Å; G898-K900 PolarHBondContact O-N 2.66Å; G898-I901 PolarHBondContact O-N 3.46Å; G898-I902 WeakPolarHBondContact O-CB 3.34Å; G898-I902 VanDerWaalsContact O-CD1 3.31Å; G898-I902 WeakPolarHBondContact O-CD1 3.33Å; G898-I902 WeakPolarHBondContact O-CG1 3.34Å; G898-I902 PolarHBondContact O-N 3.46Å
899L69.9Low70.1Confident53 Ų5340.9 Ų40.928%0.27723%0.225SC..Hα-helixtrans-59.4-43.6175-77.1164.4000112.2K895 I897 I902 Q903 M954K895-L899 HydrophobicContact CG-CD1 4.12Å; K895-L899 WeakPolarHBondContact O-CB 3.14Å; K895-L899 WeakPolarHBondContact O-CD1 3.31Å; K895-L899 VanDerWaalsContact O-CG 3.28Å; K895-L899 WeakPolarHBondContact O-CG 3.36Å; K895-L899 PolarHBondContact O-N 3.25Å; I897-L899 PolarHBondContact O-N 3.31Å; L899-I902 PolarHBondContact O-N 2.95Å; L899-Q903 WeakPolarHBondContact O-CB 3.4Å; L899-Q903 VanDerWaalsContact O-CG 3.27Å; L899-Q903 WeakPolarHBondContact O-CG 3.36Å; L899-Q903 PolarHBondContact O-N 2.88Å; L899-Q903 VanDerWaalsContact O-N 3.12Å; L899-M954 HydrophobicContact CD1-CE 4.04Å; L899-M954 HydrophobicContact CD2-CE 3.7Å; L899-M954 HydrophobicContact CD2-SD 3.56Å; L899-M954 VanDerWaalsContact CD2-SD 3.56Å; L899-M954 HydrophobicContact CG-CE 3.51Å; L899-M954 HydrophobicContact CG-SD 4.07Å
900K70.3Confident69.3Low42 Ų4245.7 Ų45.718%0.18325%0.248CC..Hα-helixtrans-67.1-42.1179.5-75.4-162.2168-1490112.9F850 D851 A896 I897 G898 I902 Q903 G904 L914F850-K900 HydrophobicContact CB-CD 4.08Å; F850-K900 HydrophobicContact CD2-CD 3.76Å; F850-K900 HydrophobicContact CG-CD 4.28Å; D851-K900 IonicContact OD1-NZ 3.82Å; D851-K900 PolarHBondContact OD1-NZ 3.02Å; D851-K900 IonicContact OD2-NZ 3.47Å; D851-K900 PolarHBondContact OD2-NZ 3.2Å; A896-K900 PolarHBondContact O-N 3.11Å; I897-K900 PolarHBondContact O-N 3.02Å; I897-K900 VanDerWaalsContact O-N 3.15Å; G898-K900 VanDerWaalsContact C-N 3.34Å; G898-K900 PolarHBondContact O-N 2.66Å; K900-I902 VanDerWaalsContact C-N 3.34Å; K900-Q903 PolarHBondContact O-N 2.82Å; K900-G904 PolarHBondContact O-N 3.44Å; K900-L914 HydrophobicContact CB-CD1 4.05Å
901I68.1Low68.8Low6 Ų645.8 Ų45.83%0.03125%0.249CC..Hα-helixtrans-65-40.9178.1-61170000110.5I897 G898 Q903 G904 V911 L914 M915 M918 P971I897-I901 HydrophobicContact CG2-CD1 3.71Å; I897-I901 HydrophobicContact CG2-CG1 4.22Å; I897-I901 WeakPolarHBondContact O-CG1 3.4Å; I897-I901 PolarHBondContact O-N 3.31Å; G898-I901 PolarHBondContact O-N 3.46Å; I901-Q903 VanDerWaalsContact C-N 3.32Å; I901-Q903 PolarHBondContact O-N 3.41Å; I901-G904 PolarHBondContact O-N 3.48Å; I901-V911 HydrophobicContact CG2-CG1 4.05Å; I901-L914 HydrophobicContact CD1-CB 4.17Å; I901-L914 HydrophobicContact CG1-CB 3.75Å; I901-M915 HydrophobicContact CD1-CG 4.18Å; I901-M915 HydrophobicContact CG2-CG 3.95Å; I901-M918 HydrophobicContact CD1-CB 3.73Å; I901-M918 HydrophobicContact CD1-CE 4.13Å; I901-M918 HydrophobicContact CD1-CG 4.2Å; I901-P971 HydrophobicContact CB-CG 4.36Å; I901-P971 HydrophobicContact CG2-CB 3.4Å; I901-P971 VanDerWaalsContact CG2-CB 3.4Å; I901-P971 HydrophobicContact CG2-CG 3.3Å
902I66.4Low68.5Low31 Ų3146.1 Ų46.116%0.15925%0.25CS..Hα-helixtrans-67.4-33.9-179.7-65.9162.1000111.8G898 L899 K900 F956 A967G898-I902 WeakPolarHBondContact O-CB 3.34Å; G898-I902 VanDerWaalsContact O-CD1 3.31Å; G898-I902 WeakPolarHBondContact O-CD1 3.33Å; G898-I902 WeakPolarHBondContact O-CG1 3.34Å; G898-I902 PolarHBondContact O-N 3.46Å; L899-I902 PolarHBondContact O-N 2.95Å; K900-I902 VanDerWaalsContact C-N 3.34Å; I902-F956 HydrophobicContact CB-CZ 4.5Å; I902-F956 HydrophobicContact CG2-CE1 3.98Å; I902-F956 HydrophobicContact CG2-CZ 3.66Å; I902-A967 HydrophobicContact CD1-CB 3.79Å
903Q70.3Confident68.1Low151 Ų15149.2 Ų49.271%0.70626%0.255SS*.Hα-helixtrans-81.5-22.8177.7-70.3174.9-4.700113.3L899 K900 I901L899-Q903 WeakPolarHBondContact O-CB 3.4Å; L899-Q903 VanDerWaalsContact O-CG 3.27Å; L899-Q903 WeakPolarHBondContact O-CG 3.36Å; L899-Q903 PolarHBondContact O-N 2.88Å; L899-Q903 VanDerWaalsContact O-N 3.12Å; K900-Q903 PolarHBondContact O-N 2.82Å; I901-Q903 VanDerWaalsContact C-N 3.32Å; I901-Q903 PolarHBondContact O-N 3.41Å
904G63.6Low67.7Low24 Ų2449.7 Ų49.725%0.24726%0.258CS..SBendtrans-85.9152.8-175.800000114.3K900 I901K900-G904 PolarHBondContact O-N 3.44Å; I901-G904 PolarHBondContact O-N 3.48Å
905D63.8Low67.5Low116 Ų11649.8 Ų49.862%0.6226%0.259SS*.  trans-77.9123.1174.9-145.75.5000109.1S907 N908 V911D905-S907 PolarHBondContact O-N 3.41Å; D905-S907 VanDerWaalsContact O-N 3.11Å; D905-N908 WeakPolarHBondContact O-CB 3.48Å; D905-N908 PolarHBondContact O-N 3.12Å; D905-V911 WeakPolarHBondContact O-CG2 3.38Å
906P61.5Low67.5Low25 Ų2548.1 Ų48.116%0.16225%0.252CS..THydrogen-bonded Turntrans-59.5-30.2-171.122.4-34000112.7N908 R974 M975P906-N908 PolarHBondContact O-N 3.4Å; P906-R974 HydrophobicContact CG-CB 4.45Å; P906-M975 HydrophobicContact CB-CE 3.56Å; P906-M975 HydrophobicContact CB-CG 4.08Å; P906-M975 WeakPolarHBondContact O-CE 3.4Å
907S58.5Low67.8Low76 Ų7647 Ų4753%0.53124%0.243SC..THydrogen-bonded Turntrans-68.1-11.917747.40000115.1D905D905-S907 PolarHBondContact O-N 3.41Å; D905-S907 VanDerWaalsContact O-N 3.11Å
908N64.9Low68.1Low71 Ų7147 Ų4738%0.3824%0.243SC..SBendtrans-75132178.7-170.25.5000110.3D905 P906 E910 V911 I912D905-N908 WeakPolarHBondContact O-CB 3.48Å; D905-N908 PolarHBondContact O-N 3.12Å; P906-N908 PolarHBondContact O-N 3.4Å; N908-E910 PolarHBondContact ND2-OE2 3.49Å; N908-E910 VanDerWaalsContact ND2-OE2 3.09Å; N908-E910 PolarHBondContact O-N 2.72Å; N908-V911 HydrophobicContact CB-CG2 4.12Å; N908-V911 PolarHBondContact O-N 3.16Å; N908-I912 PolarHBondContact O-N 2.64Å
909H63.8Low68.5Low91 Ų9147 Ų4742%0.42124%0.242SC..Hα-helixtrans-54.8-37179.7-77.7-74.8000112.2V911 I912 Y913H909-V911 VanDerWaalsContact C-N 3.31Å; H909-V911 PolarHBondContact O-N 3.25Å; H909-I912 PolarHBondContact O-N 2.87Å; H909-Y913 WeakPolarHBondContact O-CD2 3.5Å; H909-Y913 PolarHBondContact O-N 2.99Å
910E64.7Low69.2Low109 Ų10944.9 Ų44.951%0.50923%0.231SC..Hα-helixtrans-60.5-39.2176.6-64.9170.7166.200112.3N908 Y913 L914N908-E910 PolarHBondContact ND2-OE2 3.49Å; N908-E910 VanDerWaalsContact ND2-OE2 3.09Å; N908-E910 PolarHBondContact O-N 2.72Å; E910-Y913 PolarHBondContact O-N 2.94Å; E910-L914 VanDerWaalsContact O-CG 3.28Å; E910-L914 WeakPolarHBondContact O-CG 3.14Å; E910-L914 PolarHBondContact O-N 3.03Å
911V67.1Low69.8Low6 Ų642.9 Ų42.94%0.03622%0.222CC..Hα-helixtrans-70.6-38.2178.9179.50000110.5I901 D905 N908 H909 Y913 L914 M915I901-V911 HydrophobicContact CG2-CG1 4.05Å; D905-V911 WeakPolarHBondContact O-CG2 3.38Å; N908-V911 HydrophobicContact CB-CG2 4.12Å; N908-V911 PolarHBondContact O-N 3.16Å; H909-V911 VanDerWaalsContact C-N 3.31Å; H909-V911 PolarHBondContact O-N 3.25Å; V911-Y913 PolarHBondContact O-N 3.3Å; V911-L914 PolarHBondContact O-N 3.32Å; V911-M915 HydrophobicContact CG1-CG 4.46Å; V911-M915 HydrophobicContact CG1-SD 4.08Å; V911-M915 VanDerWaalsContact O-CG 3.23Å; V911-M915 WeakPolarHBondContact O-CG 2.79Å; V911-M915 PolarHBondContact O-N 2.84Å
912I65.5Low70.4Confident18 Ų1842.6 Ų42.69%0.09222%0.221CC..Hα-helixtrans-60.1-46173.7-60.8173.9000110.7N908 H909 L914 M915 E916 M975 V1027N908-I912 PolarHBondContact O-N 2.64Å; H909-I912 PolarHBondContact O-N 2.87Å; I912-L914 PolarHBondContact O-N 3.28Å; I912-M915 WeakPolarHBondContact O-CB 3.32Å; I912-M915 PolarHBondContact O-N 2.97Å; I912-E916 PolarHBondContact O-N 3.36Å; I912-E916 VanDerWaalsContact O-N 3.11Å; I912-M975 HydrophobicContact CG1-CE 4.4Å; I912-V1027 HydrophobicContact CG2-CB 4.24Å; I912-V1027 HydrophobicContact CG2-CG1 4.31Å; I912-V1027 HydrophobicContact CG2-CG2 3.72Å
913Y67.6Low71.2Confident98 Ų9842.9 Ų42.938%0.38422%0.223SC..Hα-helixtrans-63.9-38.3175.5-80.7-68.7000112.9V856 H909 E910 V911 M915 E916 C917V856-Y913 HydrophobicContact CG1-CG 4.15Å; H909-Y913 WeakPolarHBondContact O-CD2 3.5Å; H909-Y913 PolarHBondContact O-N 2.99Å; E910-Y913 PolarHBondContact O-N 2.94Å; V911-Y913 PolarHBondContact O-N 3.3Å; Y913-M915 VanDerWaalsContact C-N 3.33Å; Y913-E916 PolarHBondContact O-N 3.28Å; Y913-C917 PolarHBondContact O-N 3Å; Y913-C917 VanDerWaalsContact O-N 3.1Å; Y913-C917 PolarHBondContact O-SG 3.37Å
914L72.7Confident71.8Confident17 Ų1735.8 Ų35.89%0.08919%0.189CC..Hα-helixtrans-66.6-35.1174.9-72.2170.4000111.9F850 I897 K900 I901 E910 V911 I912 C917 M918F850-L914 HydrophobicContact CD1-CD2 3.79Å; F850-L914 HydrophobicContact CE1-CD2 4.02Å; F850-L914 HydrophobicContact CG-CD2 4.06Å; F850-L914 HydrophobicContact CZ-CD2 4.49Å; I897-L914 HydrophobicContact CG2-CB 4.39Å; I897-L914 HydrophobicContact CG2-CD2 4.34Å; K900-L914 HydrophobicContact CB-CD1 4.05Å; I901-L914 HydrophobicContact CD1-CB 4.17Å; I901-L914 HydrophobicContact CG1-CB 3.75Å; E910-L914 VanDerWaalsContact O-CG 3.28Å; E910-L914 WeakPolarHBondContact O-CG 3.14Å; E910-L914 PolarHBondContact O-N 3.03Å; V911-L914 PolarHBondContact O-N 3.32Å; I912-L914 PolarHBondContact O-N 3.28Å; L914-C917 PolarHBondContact O-N 3.46Å; L914-M918 WeakPolarHBondContact O-CB 3.5Å; L914-M918 PolarHBondContact O-N 3.37Å
915M71.2Confident72.6Confident3 Ų334.7 Ų34.72%0.01518%0.178CC..Hα-helixtrans-64.3-40.4174.3-71164.376.800111.5I901 V911 I912 Y913 M918 A919 P971 V1027 E1031I901-M915 HydrophobicContact CD1-CG 4.18Å; I901-M915 HydrophobicContact CG2-CG 3.95Å; V911-M915 HydrophobicContact CG1-CG 4.46Å; V911-M915 HydrophobicContact CG1-SD 4.08Å; V911-M915 VanDerWaalsContact O-CG 3.23Å; V911-M915 WeakPolarHBondContact O-CG 2.79Å; V911-M915 PolarHBondContact O-N 2.84Å; I912-M915 WeakPolarHBondContact O-CB 3.32Å; I912-M915 PolarHBondContact O-N 2.97Å; Y913-M915 VanDerWaalsContact C-N 3.33Å; M915-M918 PolarHBondContact O-N 2.93Å; M915-A919 PolarHBondContact O-N 2.94Å; M915-P971 HydrophobicContact CE-CB 4.32Å; M915-V1027 HydrophobicContact CB-CG1 3.67Å; M915-E1031 WeakPolarHBondContact CE-OE2 3.44Å
916E71.8Confident73.4Confident45 Ų4529.6 Ų29.621%0.2115%0.152CC..Hα-helixtrans-59.6-46.8171.6-69.1-176.9153.800111.6E860 I912 Y913 M918 A919 H920 V1027E860-E916 HydrophobicContact CG-CB 4.31Å; I912-E916 PolarHBondContact O-N 3.36Å; I912-E916 VanDerWaalsContact O-N 3.11Å; Y913-E916 PolarHBondContact O-N 3.28Å; E916-M918 PolarHBondContact O-N 2.84Å; E916-A919 PolarHBondContact O-N 3.14Å; E916-H920 PolarHBondContact O-CD2 2.84Å; E916-H920 PolarHBondContact O-N 3.32Å; E916-V1027 HydrophobicContact CG-CB 4.26Å; E916-V1027 HydrophobicContact CG-CG1 3.89Å; E916-V1027 HydrophobicContact CG-CG2 3.41Å; E916-V1027 VanDerWaalsContact CG-CG2 3.41Å; E916-V1027 WeakPolarHBondContact OE1-CG2 3.36Å
917C79.1Confident74.3Confident3 Ų329.2 Ų29.22%0.0215%0.151CC..Hα-helixtrans-61.3-43.3176.8-64.60000111.9Y863 I897 Y913 L914 A919 H920 V921Y863-C917 HydrophobicContact CD2-CB 3.77Å; Y863-C917 HydrophobicContact CE2-CB 3.95Å; I897-C917 HydrophobicContact CD1-CB 4.47Å; Y913-C917 PolarHBondContact O-N 3Å; Y913-C917 VanDerWaalsContact O-N 3.1Å; Y913-C917 PolarHBondContact O-SG 3.37Å; L914-C917 PolarHBondContact O-N 3.46Å; C917-A919 VanDerWaalsContact C-N 3.32Å; C917-A919 PolarHBondContact O-N 3.49Å; C917-H920 PolarHBondContact O-N 3.46Å; C917-V921 WeakPolarHBondContact O-CG2 3.46Å; C917-V921 PolarHBondContact O-N 3.4Å; C917-V921 VanDerWaalsContact O-N 3.14Å
918M80.1Confident75.2Confident1 Ų125.7 Ų25.71%0.00513%0.126CC..Hα-helixtrans-60.2-41178.4179.36186.100111.8M894 I897 I901 L914 M915 E916 H920 V921 M922 L968M894-M918 HydrophobicContact CG-SD 4.14Å; I897-M918 HydrophobicContact CB-CE 3.96Å; I897-M918 HydrophobicContact CG2-CB 4.03Å; I897-M918 HydrophobicContact CG2-CE 3.89Å; I901-M918 HydrophobicContact CD1-CB 3.73Å; I901-M918 HydrophobicContact CD1-CE 4.13Å; I901-M918 HydrophobicContact CD1-CG 4.2Å; L914-M918 WeakPolarHBondContact O-CB 3.5Å; L914-M918 PolarHBondContact O-N 3.37Å; M915-M918 PolarHBondContact O-N 2.93Å; E916-M918 PolarHBondContact O-N 2.84Å; M918-H920 VanDerWaalsContact C-N 3.34Å; M918-H920 PolarHBondContact O-N 3.11Å; M918-V921 PolarHBondContact O-N 3.48Å; M918-V921 VanDerWaalsContact O-N 3.16Å; M918-M922 HydrophobicContact CG-CE 4.08Å; M918-M922 HydrophobicContact CG-CG 4.25Å; M918-M922 HydrophobicContact CG-SD 4.34Å; M918-M922 WeakPolarHBondContact O-CG 3.1Å; M918-M922 PolarHBondContact O-N 3.4Å; M918-M922 HydrophobicContact SD-CG 4.11Å; M918-L968 HydrophobicContact CE-CD2 3.27Å; M918-L968 HydrophobicContact SD-CD2 3.82Å
919A78Confident75.7Confident1 Ų122.6 Ų22.61%0.00811%0.11CC..Hα-helixtrans-59.7-43.2178.300000112.2M915 E916 C917 V921 M922 N923 F1030 A1034M915-A919 PolarHBondContact O-N 2.94Å; E916-A919 PolarHBondContact O-N 3.14Å; C917-A919 VanDerWaalsContact C-N 3.32Å; C917-A919 PolarHBondContact O-N 3.49Å; A919-V921 PolarHBondContact O-N 3.2Å; A919-M922 PolarHBondContact O-N 3.14Å; A919-N923 PolarHBondContact O-N 3.02Å; A919-N923 PolarHBondContact O-ND2 3.38Å; A919-F1030 HydrophobicContact CB-CD1 3.29Å; A919-F1030 HydrophobicContact CB-CE1 3.42Å; A919-F1030 VanDerWaalsContact CB-CE1 3.42Å; A919-F1030 HydrophobicContact CB-CG 4.35Å; A919-A1034 HydrophobicContact CB-CB 3.92Å; A919-A1034 WeakPolarHBondContact O-CB 3.34Å
920H83.7Confident76.3Confident8 Ų821.2 Ų21.24%0.03711%0.105CC..Hα-helixtrans-62.6-41.9173.9-67-56.7000112.4E860 E867 E916 C917 M918 N923 M924 F1030E860-H920 IonicContact OE1-NE2 3.86Å; E860-H920 PolarHBondContact OE1-NE2 3.26Å; E867-H920 HydrophobicContact CB-CB 4.44Å; E867-H920 IonicContact OE2-CE1 3.24Å; E867-H920 IonicContact OE2-CG 2.63Å; E867-H920 IonicContact OE2-ND1 2.69Å; E867-H920 PolarHBondContact OE2-ND1 3.04Å; E916-H920 PolarHBondContact O-CD2 2.84Å; E916-H920 PolarHBondContact O-N 3.32Å; C917-H920 PolarHBondContact O-N 3.46Å; M918-H920 VanDerWaalsContact C-N 3.34Å; M918-H920 PolarHBondContact O-N 3.11Å; H920-N923 PolarHBondContact O-N 3.05Å; H920-M924 WeakPolarHBondContact O-CG 3.26Å; H920-M924 PolarHBondContact O-N 3.12Å; H920-F1030 AromaticContact CE1-CE1 3.58Å; H920-F1030 AromaticContact CE1-CZ 3.58Å; H920-F1030 AromaticContact ND1-CE1 3.87Å; H920-F1030 AromaticContact ND1-CZ 3.85Å; H920-F1030 AromaticContact NE2-CE1 3.94Å
921V84Confident76.8Confident1 Ų117.3 Ų17.31%0.0069%0.087CC..Hα-helixtrans-65.7-40.3177.9177.40000111.9Y863 M894 I897 C917 M918 A919 M924 A925Y863-V921 HydrophobicContact CD1-CG2 3.76Å; Y863-V921 HydrophobicContact CE1-CG2 3.67Å; Y863-V921 HydrophobicContact CG-CG2 4.31Å; M894-V921 HydrophobicContact CB-CG1 3.95Å; M894-V921 HydrophobicContact CE-CG1 4.31Å; I897-V921 HydrophobicContact CD1-CG2 4.11Å; C917-V921 WeakPolarHBondContact O-CG2 3.46Å; C917-V921 PolarHBondContact O-N 3.4Å; C917-V921 VanDerWaalsContact O-N 3.14Å; M918-V921 PolarHBondContact O-N 3.48Å; M918-V921 VanDerWaalsContact O-N 3.16Å; A919-V921 PolarHBondContact O-N 3.2Å; V921-M924 HydrophobicContact CB-CE 4.34Å; V921-M924 HydrophobicContact CG2-CE 3.94Å; V921-M924 PolarHBondContact O-N 3.36Å; V921-A925 PolarHBondContact O-N 3.37Å
922M81.1Confident77.1Confident0 Ų017 Ų170%09%0.086CC..Hα-helixtrans-62.8-41.2174.5-72.4-168.7-65.200112M918 A919 A925 A926 E1031 A1034 W1035 L1038M918-M922 HydrophobicContact CG-CE 4.08Å; M918-M922 HydrophobicContact CG-CG 4.25Å; M918-M922 HydrophobicContact CG-SD 4.34Å; M918-M922 WeakPolarHBondContact O-CG 3.1Å; M918-M922 PolarHBondContact O-N 3.4Å; M918-M922 HydrophobicContact SD-CG 4.11Å; A919-M922 PolarHBondContact O-N 3.14Å; M922-A925 PolarHBondContact O-N 2.64Å; M922-A926 WeakPolarHBondContact O-CB 3.28Å; M922-A926 PolarHBondContact O-N 3.47Å; M922-E1031 HydrophobicContact CE-CG 3.87Å; M922-A1034 HydrophobicContact CB-CB 4.17Å; M922-A1034 HydrophobicContact CE-CB 3.9Å; M922-W1035 HydrophobicContact CE-CB 4.27Å; M922-W1035 HydrophobicContact SD-CB 4.22Å; M922-L1038 HydrophobicContact CB-CD2 4.37Å; M922-L1038 HydrophobicContact CG-CD2 4.22Å
923N81.7Confident77.3Confident37 Ų3719 Ų1920%0.1989%0.094CC..Hα-helixtrans-63.5-40.2174.9-76.6-23.6000112.3E867 A919 H920 A926 A927 A1034E867-N923 HydrophobicContact CG-CB 3.65Å; E867-N923 PolarHBondContact OE2-ND2 2.87Å; E867-N923 VanDerWaalsContact OE2-ND2 3.16Å; A919-N923 PolarHBondContact O-N 3.02Å; A919-N923 PolarHBondContact O-ND2 3.38Å; H920-N923 PolarHBondContact O-N 3.05Å; N923-A926 WeakPolarHBondContact O-CB 3.49Å; N923-A926 PolarHBondContact O-N 2.82Å; N923-A927 PolarHBondContact O-N 2.97Å; N923-A1034 VanDerWaalsContact OD1-CA 3.31Å; N923-A1034 WeakPolarHBondContact OD1-CA 3.47Å; N923-A1034 WeakPolarHBondContact OD1-CB 3.43Å
924M84.4Confident77.4Confident1 Ų122.8 Ų22.81%0.00511%0.108CC..Hα-helixtrans-62.7-42.7174-71.1-169.8-72.200111.9Y863 C866 E867 T870 I890 H920 V921 A926 A927 E928Y863-M924 HydrophobicContact CD1-CE 3.86Å; C866-M924 HydrophobicContact CB-CE 4.42Å; C866-M924 HydrophobicContact CB-SD 3.51Å; C866-M924 VanDerWaalsContact CB-SD 3.51Å; E867-M924 HydrophobicContact CB-CG 4.13Å; E867-M924 HydrophobicContact CG-CG 4.44Å; T870-M924 HydrophobicContact CG2-CG 4.2Å; T870-M924 HydrophobicContact CG2-SD 4.48Å; I890-M924 HydrophobicContact CD1-CB 4.41Å; H920-M924 WeakPolarHBondContact O-CG 3.26Å; H920-M924 PolarHBondContact O-N 3.12Å; V921-M924 HydrophobicContact CB-CE 4.34Å; V921-M924 HydrophobicContact CG2-CE 3.94Å; V921-M924 PolarHBondContact O-N 3.36Å; M924-A926 VanDerWaalsContact C-N 3.34Å; M924-A926 PolarHBondContact O-N 3.26Å; M924-A927 PolarHBondContact O-N 3.29Å; M924-E928 WeakPolarHBondContact O-CB 3.48Å; M924-E928 PolarHBondContact O-N 3.21Å
925A80.3Confident77.2Confident2 Ų225.3 Ų25.32%0.01712%0.12CC..Hα-helixtrans-64.8-36.9175.200000112.5I890 M894 V921 M922 E928 T929 L1038I890-A925 HydrophobicContact CG2-CB 3.75Å; M894-A925 HydrophobicContact CE-CB 3.42Å; M894-A925 VanDerWaalsContact CE-CB 3.42Å; V921-A925 PolarHBondContact O-N 3.37Å; M922-A925 PolarHBondContact O-N 2.64Å; A925-E928 PolarHBondContact O-N 3.21Å; A925-T929 WeakPolarHBondContact O-CB 3.23Å; A925-T929 WeakPolarHBondContact O-CG2 3.33Å; A925-T929 PolarHBondContact O-N 2.96Å; A925-T929 PolarHBondContact O-OG1 3.44Å; A925-L1038 HydrophobicContact CB-CD1 3.77Å
926A79.2Confident76.9Confident9 Ų930.8 Ų30.87%0.07415%0.149CC..Hα-helixtrans-64.3-44.3173.700000111.6M922 N923 M924 E928 T929 L930 L1038 A1041M922-A926 WeakPolarHBondContact O-CB 3.28Å; M922-A926 PolarHBondContact O-N 3.47Å; N923-A926 WeakPolarHBondContact O-CB 3.49Å; N923-A926 PolarHBondContact O-N 2.82Å; M924-A926 VanDerWaalsContact C-N 3.34Å; M924-A926 PolarHBondContact O-N 3.26Å; A926-E928 VanDerWaalsContact C-N 3.34Å; A926-E928 PolarHBondContact O-N 3.17Å; A926-T929 WeakPolarHBondContact CA-OG1 3.45Å; A926-T929 PolarHBondContact O-N 3.21Å; A926-T929 PolarHBondContact O-OG1 2.87Å; A926-L930 WeakPolarHBondContact O-CG 3.28Å; A926-L930 PolarHBondContact O-N 3.09Å; A926-L930 VanDerWaalsContact O-N 3.09Å; A926-L1038 HydrophobicContact CB-CB 4.34Å; A926-L1038 HydrophobicContact CB-CD1 4.31Å; A926-A1041 HydrophobicContact CB-CB 4.13Å
927A80.2Confident76.5Confident17 Ų1732.8 Ų32.814%0.1416%0.155CC..Hα-helixtrans-62.5-42.4175.500000111.6N923 M924 L930 H931N923-A927 PolarHBondContact O-N 2.97Å; M924-A927 PolarHBondContact O-N 3.29Å; A927-L930 PolarHBondContact O-N 3.49Å; A927-H931 PolarHBondContact O-CD2 3.23Å; A927-H931 VanDerWaalsContact O-CD2 3.31Å; A927-H931 PolarHBondContact O-N 3.4Å
928E78.5Confident75.7Confident1 Ų135.7 Ų35.71%0.00517%0.167CC..Hα-helixtrans-64-46.6178.1-175.7168.3-155.100112.9L880 R884 I890 M924 A925 A926 L930 H931 L932 Y944L880-E928 HydrophobicContact CD2-CB 3.85Å; L880-E928 HydrophobicContact CD2-CG 4.22Å; R884-E928 VanDerWaalsContact CG-OE1 3.24Å; R884-E928 WeakPolarHBondContact CG-OE1 3.5Å; R884-E928 IonicContact CZ-OE1 2.65Å; R884-E928 IonicContact NE-OE1 3.97Å; R884-E928 PolarHBondContact NE-OE1 2.82Å; R884-E928 IonicContact NH2-OE1 3.77Å; I890-E928 HydrophobicContact CD1-CB 4.49Å; I890-E928 WeakPolarHBondContact CD1-OE2 3.46Å; M924-E928 WeakPolarHBondContact O-CB 3.48Å; M924-E928 PolarHBondContact O-N 3.21Å; A925-E928 PolarHBondContact O-N 3.21Å; A926-E928 VanDerWaalsContact C-N 3.34Å; A926-E928 PolarHBondContact O-N 3.17Å; E928-L930 VanDerWaalsContact C-N 3.3Å; E928-L930 PolarHBondContact O-N 3.07Å; E928-H931 PolarHBondContact O-N 3.4Å; E928-H931 VanDerWaalsContact O-N 3.12Å; E928-L932 HydrophobicContact CG-CD1 4.19Å; E928-L932 HydrophobicContact CG-CG 4.48Å; E928-L932 WeakPolarHBondContact O-CG 3.45Å; E928-L932 PolarHBondContact O-N 3.43Å; E928-Y944 PolarHBondContact OE1-OH 3.14Å; E928-Y944 PolarHBondContact OE2-OH 3.41Å
929T75Confident74.7Confident7 Ų738.9 Ų38.94%0.04320%0.201CC..Hα-helixtrans-61.5-38.9178.346.20000111.6A925 A926 F933 Y944 A1041 T1042A925-T929 WeakPolarHBondContact O-CB 3.23Å; A925-T929 WeakPolarHBondContact O-CG2 3.33Å; A925-T929 PolarHBondContact O-N 2.96Å; A925-T929 PolarHBondContact O-OG1 3.44Å; A926-T929 WeakPolarHBondContact CA-OG1 3.45Å; A926-T929 PolarHBondContact O-N 3.21Å; A926-T929 PolarHBondContact O-OG1 2.87Å; T929-F933 PolarHBondContact O-N 2.95Å; T929-F933 VanDerWaalsContact O-N 3.12Å; T929-Y944 HydrophobicContact CG2-CD1 4.25Å; T929-A1041 VanDerWaalsContact OG1-CB 3.25Å; T929-A1041 WeakPolarHBondContact OG1-CB 3.46Å; T929-T1042 HydrophobicContact CG2-CG2 4.43Å
930L75.9Confident73.9Confident61 Ų6142.7 Ų42.732%0.31922%0.218SC..Hα-helixtrans-66.6-38.8171.7-71172.5000112.9A926 A927 E928 F933 Y934 A1041A926-L930 WeakPolarHBondContact O-CG 3.28Å; A926-L930 PolarHBondContact O-N 3.09Å; A926-L930 VanDerWaalsContact O-N 3.09Å; A927-L930 PolarHBondContact O-N 3.49Å; E928-L930 VanDerWaalsContact C-N 3.3Å; E928-L930 PolarHBondContact O-N 3.07Å; L930-F933 VanDerWaalsContact O-CB 3.22Å; L930-F933 WeakPolarHBondContact O-CB 3.05Å; L930-F933 PolarHBondContact O-N 3.03Å; L930-Y934 WeakPolarHBondContact O-CD2 3.15Å; L930-Y934 PolarHBondContact O-N 3.43Å; L930-Y934 VanDerWaalsContact O-N 3.1Å; L930-A1041 HydrophobicContact CD1-CB 4.32Å; L930-A1041 HydrophobicContact CD2-CB 4.1Å; L930-A1041 HydrophobicContact CG-CB 3.78Å
931H76.1Confident72.9Confident27 Ų2742.6 Ų42.613%0.12522%0.218CC..Hα-helixtrans-66.5-39.5176.7-92.9-75000112.6A876 L880 A927 E928 F933 Y934 E935A876-H931 WeakPolarHBondContact CB-NE2 3.43Å; L880-H931 HydrophobicContact CD1-CB 3.82Å; L880-H931 VanDerWaalsContact CD1-CD2 3.47Å; L880-H931 WeakPolarHBondContact CD1-CD2 3.34Å; A927-H931 PolarHBondContact O-CD2 3.23Å; A927-H931 VanDerWaalsContact O-CD2 3.31Å; A927-H931 PolarHBondContact O-N 3.4Å; E928-H931 PolarHBondContact O-N 3.4Å; E928-H931 VanDerWaalsContact O-N 3.12Å; H931-F933 PolarHBondContact O-N 3.11Å; H931-Y934 PolarHBondContact O-N 3.48Å; H931-E935 WeakPolarHBondContact O-CG 3.31Å; H931-E935 PolarHBondContact O-N 2.87Å; H931-E935 VanDerWaalsContact O-N 3.13Å
932L74.1Confident71.8Confident1 Ų144.3 Ų44.31%0.00523%0.23CC..Hα-helixtrans-63.5-32.4173.8-68.7172.5000112E928 R937 E940 T941E928-L932 HydrophobicContact CG-CD1 4.19Å; E928-L932 HydrophobicContact CG-CG 4.48Å; E928-L932 WeakPolarHBondContact O-CG 3.45Å; E928-L932 PolarHBondContact O-N 3.43Å; L932-R937 HydrophobicContact CD2-CB 4.18Å; L932-R937 PolarHBondContact O-N 2.86Å; L932-E940 HydrophobicContact CD2-CB 4.27Å; L932-T941 HydrophobicContact CB-CG2 3.84Å; L932-T941 HydrophobicContact CD1-CG2 3.99Å; L932-T941 HydrophobicContact CG-CG2 4.48Å
933F69Low70.9Confident59 Ų5949.6 Ų49.626%0.25926%0.255SS..Hα-helixtrans-62-53.1171.7-177-99.2000112.1T929 L930 H931 E935 D936 C1044 M1045 A1048T929-F933 PolarHBondContact O-N 2.95Å; T929-F933 VanDerWaalsContact O-N 3.12Å; L930-F933 VanDerWaalsContact O-CB 3.22Å; L930-F933 WeakPolarHBondContact O-CB 3.05Å; L930-F933 PolarHBondContact O-N 3.03Å; H931-F933 PolarHBondContact O-N 3.11Å; F933-E935 VanDerWaalsContact C-N 3.29Å; F933-E935 PolarHBondContact O-N 3.23Å; F933-D936 PolarHBondContact O-N 3.33Å; F933-C1044 WeakPolarHBondContact CE2-O 3.47Å; F933-M1045 WeakPolarHBondContact CA-SD 3.47Å; F933-M1045 HydrophobicContact CB-CG 4.38Å; F933-M1045 HydrophobicContact CB-SD 3.35Å; F933-M1045 WeakPolarHBondContact CB-SD 3.38Å; F933-M1045 HydrophobicContact CD2-CE 4.49Å; F933-M1045 HydrophobicContact CD2-SD 3.79Å; F933-M1045 HydrophobicContact CG-SD 4.07Å; F933-M1045 PolarHBondContact N-SD 3.24Å; F933-A1048 HydrophobicContact CD2-CB 3.99Å; F933-A1048 HydrophobicContact CE2-CB 3.23Å; F933-A1048 HydrophobicContact CZ-CB 3.96Å
934Y69.4Low70Confident177 Ų17748.7 Ų48.769%0.69425%0.249SC*.Hα-helixtrans-70-23.2-175.3-74-67.5000113.8L930 H931L930-Y934 WeakPolarHBondContact O-CD2 3.15Å; L930-Y934 PolarHBondContact O-N 3.43Å; L930-Y934 VanDerWaalsContact O-N 3.1Å; H931-Y934 PolarHBondContact O-N 3.48Å
935E69.6Low68.9Low70 Ų7049.4 Ų49.433%0.32725%0.252SS..THydrogen-bonded Turntrans-92.86.4177.9-68-176.2165.400113.9H931 F933 R937H931-E935 WeakPolarHBondContact O-CG 3.31Å; H931-E935 PolarHBondContact O-N 2.87Å; H931-E935 VanDerWaalsContact O-N 3.13Å; F933-E935 VanDerWaalsContact C-N 3.29Å; F933-E935 PolarHBondContact O-N 3.23Å; E935-R937 HydrophobicContact CB-CG 4.14Å; E935-R937 WeakPolarHBondContact O-CG 3.24Å; E935-R937 PolarHBondContact O-N 3.27Å; E935-R937 VanDerWaalsContact O-N 3.08Å; E935-R937 IonicContact OE1-NH2 3.56Å; E935-R937 IonicContact OE2-CZ 3.74Å; E935-R937 IonicContact OE2-NE 2.8Å; E935-R937 PolarHBondContact OE2-NE 2.95Å; E935-R937 IonicContact OE2-NH2 3.85Å; E935-R937 PolarHBondContact OE2-NH2 2.73Å
936D63.5Low68.1Low119 Ų11955.6 Ų55.664%0.63628%0.278SS*.THydrogen-bonded Turntrans54.524.1-177-68.8-37.2000114.4F933 F938F933-D936 PolarHBondContact O-N 3.33Å; D936-F938 VanDerWaalsContact C-N 3.27Å; D936-F938 HydrophobicContact CB-CE2 3.94Å; D936-F938 VanDerWaalsContact O-CD2 3.3Å; D936-F938 WeakPolarHBondContact O-CD2 3.36Å; D936-F938 PolarHBondContact O-N 3.44Å; D936-F938 VanDerWaalsContact O-N 3.09Å
937R64.7Low67.3Low86 Ų8656.4 Ų56.433%0.32528%0.28SS..  trans-8952.4-177.4-67.8-156.4-83.1170.7-15.5112.9R884 L932 E935 G939 E940R884-R937 VanDerWaalsContact NH1-NH2 3.16Å; L932-R937 HydrophobicContact CD2-CB 4.18Å; L932-R937 PolarHBondContact O-N 2.86Å; E935-R937 HydrophobicContact CB-CG 4.14Å; E935-R937 WeakPolarHBondContact O-CG 3.24Å; E935-R937 PolarHBondContact O-N 3.27Å; E935-R937 VanDerWaalsContact O-N 3.08Å; E935-R937 IonicContact OE1-NH2 3.56Å; E935-R937 IonicContact OE2-CZ 3.74Å; E935-R937 IonicContact OE2-NE 2.8Å; E935-R937 PolarHBondContact OE2-NE 2.95Å; E935-R937 IonicContact OE2-NH2 3.85Å; E935-R937 PolarHBondContact OE2-NH2 2.73Å; R937-G939 PolarHBondContact O-N 3.13Å; R937-G939 VanDerWaalsContact O-N 3.1Å; R937-E940 IonicContact CZ-OE1 3.94Å; R937-E940 IonicContact NH1-OE1 3.17Å; R937-E940 PolarHBondContact NH1-OE1 2.95Å; R937-E940 IonicContact NH1-OE2 3.48Å; R937-E940 PolarHBondContact O-N 2.58Å
938F61.2Low66.5Low64 Ų6455.7 Ų55.728%0.28127%0.274SS..Hα-helixtrans-59.4-24.5-175.9-58.1-77.3000114.4D936 E940 T941 M1045 A1048 T1049D936-F938 VanDerWaalsContact C-N 3.27Å; D936-F938 HydrophobicContact CB-CE2 3.94Å; D936-F938 VanDerWaalsContact O-CD2 3.3Å; D936-F938 WeakPolarHBondContact O-CD2 3.36Å; D936-F938 PolarHBondContact O-N 3.44Å; D936-F938 VanDerWaalsContact O-N 3.09Å; F938-E940 PolarHBondContact O-N 3.29Å; F938-T941 WeakPolarHBondContact O-CB 3.34Å; F938-T941 PolarHBondContact O-N 3.02Å; F938-T941 PolarHBondContact O-OG1 3.42Å; F938-M1045 HydrophobicContact CD1-CE 3.48Å; F938-M1045 VanDerWaalsContact CD1-CE 3.48Å; F938-M1045 HydrophobicContact CE1-CE 3.69Å; F938-A1048 HydrophobicContact CE1-CB 4.14Å; F938-A1048 HydrophobicContact CZ-CB 4.32Å; F938-T1049 HydrophobicContact CD1-CG2 3.59Å; F938-T1049 HydrophobicContact CE1-CG2 4.14Å; F938-T1049 HydrophobicContact CG-CG2 4.36Å
939G59.2Low65.5Low69 Ų6956.7 Ų56.771%0.71128%0.279SS*.Hα-helixtrans-62.7-40.9179.400000113.9R937 T941 S942R937-G939 PolarHBondContact O-N 3.13Å; R937-G939 VanDerWaalsContact O-N 3.1Å; G939-T941 PolarHBondContact O-N 2.83Å; G939-S942 PolarHBondContact O-N 3.29Å
940E61.6Low64.7Low81 Ų8159.6 Ų59.638%0.37929%0.294SS..Hα-helixtrans-69.5-23.8178.6-64.5175.1-156.500111.3R884 L932 R937 F938 S942R884-E940 IonicContact NH1-OE2 3.98Å; L932-E940 HydrophobicContact CD2-CB 4.27Å; R937-E940 IonicContact CZ-OE1 3.94Å; R937-E940 IonicContact NH1-OE1 3.17Å; R937-E940 PolarHBondContact NH1-OE1 2.95Å; R937-E940 IonicContact NH1-OE2 3.48Å; R937-E940 PolarHBondContact O-N 2.58Å; F938-E940 PolarHBondContact O-N 3.29Å; E940-S942 VanDerWaalsContact C-N 3.28Å; E940-S942 PolarHBondContact O-N 3.42Å
941T61.5Low63.3Low5 Ų559.3 Ų59.33%0.03130%0.301CS..Hα-helixtrans-72.3-19.5-178.973.80000113.5L932 F938 G939 E943 Y944 F945 M1045L932-T941 HydrophobicContact CB-CG2 3.84Å; L932-T941 HydrophobicContact CD1-CG2 3.99Å; L932-T941 HydrophobicContact CG-CG2 4.48Å; F938-T941 WeakPolarHBondContact O-CB 3.34Å; F938-T941 PolarHBondContact O-N 3.02Å; F938-T941 PolarHBondContact O-OG1 3.42Å; G939-T941 PolarHBondContact O-N 2.83Å; T941-E943 PolarHBondContact O-N 3.05Å; T941-Y944 PolarHBondContact O-N 3.16Å; T941-F945 WeakPolarHBondContact O-CD2 3.09Å; T941-F945 PolarHBondContact O-N 2.85Å; T941-M1045 HydrophobicContact CG2-CE 3.68Å; T941-M1045 HydrophobicContact CG2-SD 4.28Å
942S61.1Low61.8Low37 Ų3768.3 Ų68.326%0.25933%0.333SS..Hα-helixtrans-57.2-37.3177.7154.40000112.2G939 E940 K946G939-S942 PolarHBondContact O-N 3.29Å; E940-S942 VanDerWaalsContact C-N 3.28Å; E940-S942 PolarHBondContact O-N 3.42Å; S942-K946 WeakPolarHBondContact O-CB 3.38Å; S942-K946 VanDerWaalsContact O-CG 3.27Å; S942-K946 WeakPolarHBondContact O-CG 3.43Å; S942-K946 PolarHBondContact O-N 3.3Å
943E62.8Low60.5Low112 Ų11271.4 Ų71.452%0.52335%0.349SS..Hα-helixtrans-72.1-41.8178.9-63.8-164.5163.400112T941 F945 K946 F947T941-E943 PolarHBondContact O-N 3.05Å; E943-F945 VanDerWaalsContact C-N 3.35Å; E943-F945 PolarHBondContact O-N 3.14Å; E943-K946 PolarHBondContact O-N 2.77Å; E943-F947 WeakPolarHBondContact O-CB 3.41Å; E943-F947 PolarHBondContact O-N 3.41Å
944Y62.5Low59.1Low17 Ų1770 Ų707%0.06734%0.344CS..Hα-helixtrans-59.3-44.8171.9-82.4-96.1000111.5L891 E928 T929 T941 F947 L948L891-Y944 HydrophobicContact CD1-CD1 4.41Å; L891-Y944 HydrophobicContact CD1-CD2 4.26Å; L891-Y944 HydrophobicContact CD1-CE1 4.1Å; L891-Y944 HydrophobicContact CD1-CE2 3.91Å; L891-Y944 HydrophobicContact CD1-CG 4.45Å; L891-Y944 HydrophobicContact CD2-CD1 3.76Å; L891-Y944 HydrophobicContact CD2-CE1 3.65Å; L891-Y944 HydrophobicContact CD2-CG 4.41Å; L891-Y944 HydrophobicContact CG-CD1 4.33Å; L891-Y944 HydrophobicContact CG-CE1 3.82Å; L891-Y944 HydrophobicContact CG-CE2 4.47Å; E928-Y944 PolarHBondContact OE1-OH 3.14Å; E928-Y944 PolarHBondContact OE2-OH 3.41Å; T929-Y944 HydrophobicContact CG2-CD1 4.25Å; T941-Y944 PolarHBondContact O-N 3.16Å; Y944-F947 PolarHBondContact O-N 2.85Å; Y944-L948 VanDerWaalsContact O-CB 3.27Å; Y944-L948 WeakPolarHBondContact O-CB 3.26Å; Y944-L948 WeakPolarHBondContact O-CD1 3.45Å; Y944-L948 WeakPolarHBondContact O-CG 3.45Å; Y944-L948 PolarHBondContact O-N 3.33Å
945F62Low57.3Low17 Ų1768.6 Ų68.68%0.07535%0.354CS..Hα-helixtrans-66.5-41.2177.6-83-67.9000112.7T941 E943 F949 M1045 L1046T941-F945 WeakPolarHBondContact O-CD2 3.09Å; T941-F945 PolarHBondContact O-N 2.85Å; E943-F945 VanDerWaalsContact C-N 3.35Å; E943-F945 PolarHBondContact O-N 3.14Å; F945-F949 AromaticContact CD1-CD2 3.76Å; F945-F949 HydrophobicContact CD1-CD2 3.76Å; F945-F949 AromaticContact CD1-CE2 3.56Å; F945-F949 HydrophobicContact CD1-CE2 3.56Å; F945-F949 HydrophobicContact CE1-CD2 4.48Å; F945-F949 AromaticContact CE1-CE2 3.84Å; F945-F949 HydrophobicContact CE1-CE2 3.84Å; F945-F949 WeakPolarHBondContact O-CB 3.42Å; F945-F949 WeakPolarHBondContact O-CD2 3.31Å; F945-F949 PolarHBondContact O-N 2.94Å; F945-M1045 HydrophobicContact CE2-CB 4.12Å; F945-M1045 HydrophobicContact CZ-CB 3.74Å; F945-L1046 HydrophobicContact CD1-CD2 4.14Å; F945-L1046 HydrophobicContact CD1-CG 4.5Å; F945-L1046 HydrophobicContact CE1-CD1 3.78Å; F945-L1046 HydrophobicContact CE1-CD2 3.49Å; F945-L1046 VanDerWaalsContact CE1-CD2 3.49Å; F945-L1046 HydrophobicContact CE1-CG 3.44Å; F945-L1046 VanDerWaalsContact CE1-CG 3.44Å; F945-L1046 HydrophobicContact CZ-CD1 4.37Å; F945-L1046 HydrophobicContact CZ-CD2 3.85Å; F945-L1046 HydrophobicContact CZ-CG 3.64Å
946K62.9Low55.8Low131 Ų13169.9 Ų69.957%0.5736%0.358SS*.Hα-helixtrans-61.8-45.3172.7-75.7174.3-174.4178.20110.5S942 E943 D950S942-K946 WeakPolarHBondContact O-CB 3.38Å; S942-K946 VanDerWaalsContact O-CG 3.27Å; S942-K946 WeakPolarHBondContact O-CG 3.43Å; S942-K946 PolarHBondContact O-N 3.3Å; E943-K946 PolarHBondContact O-N 2.77Å; K946-D950 WeakPolarHBondContact O-CA 3.04Å; K946-D950 WeakPolarHBondContact O-CB 3.12Å; K946-D950 PolarHBondContact O-N 2.67Å
947F62.5Low54.3Low26 Ų2671.5 Ų71.511%0.11437%0.367CS..Hα-helixtrans-68.2-44.3-177.5-178-100.2000113.6L891 M894 K895 E943 Y944 F949 I953 L964L891-F947 HydrophobicContact CB-CE1 4.44Å; L891-F947 HydrophobicContact CD2-CB 4.24Å; L891-F947 HydrophobicContact CD2-CD1 3.35Å; L891-F947 HydrophobicContact CD2-CE1 3.81Å; L891-F947 HydrophobicContact CD2-CG 3.93Å; L891-F947 HydrophobicContact CG-CD1 4.49Å; M894-F947 HydrophobicContact SD-CE1 4.31Å; K895-F947 HydrophobicContact CB-CE2 4.28Å; K895-F947 HydrophobicContact CB-CZ 3.85Å; K895-F947 HydrophobicContact CD-CE2 4.26Å; K895-F947 HydrophobicContact CG-CE2 4.33Å; K895-F947 HydrophobicContact CG-CZ 4.24Å; E943-F947 WeakPolarHBondContact O-CB 3.41Å; E943-F947 PolarHBondContact O-N 3.41Å; Y944-F947 PolarHBondContact O-N 2.85Å; F947-F949 VanDerWaalsContact C-N 3.33Å; F947-F949 PolarHBondContact O-N 3.2Å; F947-I953 HydrophobicContact CD2-CD1 4.42Å; F947-I953 HydrophobicContact CD2-CG2 4.36Å; F947-I953 HydrophobicContact CE2-CG2 4.29Å; F947-L964 HydrophobicContact CD1-CD2 3.67Å; F947-L964 HydrophobicContact CE1-CD2 3.11Å; F947-L964 HydrophobicContact CE2-CD2 4.46Å; F947-L964 HydrophobicContact CZ-CD2 3.57Å
948L62.8Low52.7Low3 Ų377.7 Ų77.72%0.01640%0.4CS..Hα-helixtrans-69.6-29.9-178.1-72.5169.5000113.1M894 Y944 L964 I965 L1038 T1042M894-L948 HydrophobicContact SD-CD2 4.43Å; Y944-L948 VanDerWaalsContact O-CB 3.27Å; Y944-L948 WeakPolarHBondContact O-CB 3.26Å; Y944-L948 WeakPolarHBondContact O-CD1 3.45Å; Y944-L948 WeakPolarHBondContact O-CG 3.45Å; Y944-L948 PolarHBondContact O-N 3.33Å; L948-L964 PolarHBondContact O-N 3.22Å; L948-I965 HydrophobicContact CB-CD1 3.86Å; L948-I965 HydrophobicContact CB-CG1 4.2Å; L948-I965 HydrophobicContact CD2-CD1 4.18Å; L948-I965 HydrophobicContact CD2-CG1 3.92Å; L948-I965 HydrophobicContact CG-CD1 4.43Å; L948-L1038 HydrophobicContact CD2-CD2 4.48Å; L948-T1042 HydrophobicContact CD1-CG2 3.64Å
949F59Low51.5Low22 Ų2278.3 Ų78.310%0.09642%0.424CS..Hα-helixtrans-121.2-8.8-170.1-62-78.7000115.8F945 F947 A951 T963 I965 C1059 L1060 V1063F945-F949 AromaticContact CD1-CD2 3.76Å; F945-F949 HydrophobicContact CD1-CD2 3.76Å; F945-F949 AromaticContact CD1-CE2 3.56Å; F945-F949 HydrophobicContact CD1-CE2 3.56Å; F945-F949 HydrophobicContact CE1-CD2 4.48Å; F945-F949 AromaticContact CE1-CE2 3.84Å; F945-F949 HydrophobicContact CE1-CE2 3.84Å; F945-F949 WeakPolarHBondContact O-CB 3.42Å; F945-F949 WeakPolarHBondContact O-CD2 3.31Å; F945-F949 PolarHBondContact O-N 2.94Å; F947-F949 VanDerWaalsContact C-N 3.33Å; F947-F949 PolarHBondContact O-N 3.2Å; F949-A951 PolarHBondContact O-N 3.46Å; F949-T963 HydrophobicContact CD1-CG2 4.37Å; F949-I965 HydrophobicContact CD1-CD1 4.26Å; F949-I965 HydrophobicContact CE1-CD1 3.69Å; F949-I965 HydrophobicContact CE2-CD1 4.09Å; F949-I965 HydrophobicContact CZ-CD1 3.59Å; F949-C1059 HydrophobicContact CB-CB 3.94Å; F949-C1059 HydrophobicContact CD1-CB 3.54Å; F949-C1059 HydrophobicContact CE1-CB 4.28Å; F949-C1059 HydrophobicContact CG-CB 3.98Å; F949-L1060 HydrophobicContact CE1-CD2 4.35Å; F949-L1060 HydrophobicContact CZ-CD2 4.24Å; F949-V1063 HydrophobicContact CE1-CG2 4.02Å
950D57.2Low50.5Low67 Ų6779 Ų7936%0.35842%0.418SS..  trans-80.4110.1175.6-165-10.6000110.8K946 R952 I953K946-D950 WeakPolarHBondContact O-CA 3.04Å; K946-D950 WeakPolarHBondContact O-CB 3.12Å; K946-D950 PolarHBondContact O-N 2.67Å; D950-R952 PolarHBondContact O-N 3.25Å; D950-R952 VanDerWaalsContact O-N 3.08Å; D950-R952 PolarHBondContact OD1-N 3.34Å; D950-I953 HydrophobicContact CB-CD1 3.94Å; D950-I953 HydrophobicContact CB-CG1 4.27Å
951A47.4Very low49.7Very low56 Ų5682.9 Ų82.946%0.46344%0.442SS..THydrogen-bonded Turntrans-62-11.7-18000000114.1F949F949-A951 PolarHBondContact O-N 3.46Å
952R44.2Very low49.1Very low216 Ų21684.2 Ų84.282%0.81546%0.456SS*.THydrogen-bonded Turntrans-88.9-11.2-173.5-59.8-179.3-166.4-169.62.1114.7D950 M954D950-R952 PolarHBondContact O-N 3.25Å; D950-R952 VanDerWaalsContact O-N 3.08Å; D950-R952 PolarHBondContact OD1-N 3.34Å; R952-M954 VanDerWaalsContact C-N 3.32Å; R952-M954 PolarHBondContact O-N 3.04Å
953I47.2Very low49.1Very low65 Ų6582.9 Ų82.933%0.33345%0.446SS..SBendtrans-83.2-10.9-168.8-60.5175.4000112.4F947 D950F947-I953 HydrophobicContact CD2-CD1 4.42Å; F947-I953 HydrophobicContact CD2-CG2 4.36Å; F947-I953 HydrophobicContact CE2-CG2 4.29Å; D950-I953 HydrophobicContact CB-CD1 3.94Å; D950-I953 HydrophobicContact CB-CG1 4.27Å
954M38.6Very low49.1Very low31 Ų3178.2 Ų78.215%0.15343%0.425CS..SBendtrans-123.8109168-62.9-151.2165.400109.8K895 L899 R952 F956 L964K895-M954 HydrophobicContact CG-CE 3.64Å; L899-M954 HydrophobicContact CD1-CE 4.04Å; L899-M954 HydrophobicContact CD2-CE 3.7Å; L899-M954 HydrophobicContact CD2-SD 3.56Å; L899-M954 VanDerWaalsContact CD2-SD 3.56Å; L899-M954 HydrophobicContact CG-CE 3.51Å; L899-M954 HydrophobicContact CG-SD 4.07Å; R952-M954 VanDerWaalsContact C-N 3.32Å; R952-M954 PolarHBondContact O-N 3.04Å; M954-F956 HydrophobicContact CB-CD2 3.67Å; M954-F956 HydrophobicContact CB-CE2 3.74Å; M954-F956 HydrophobicContact CG-CE2 4.42Å; M954-F956 PolarHBondContact O-N 3.41Å; M954-F956 HydrophobicContact SD-CE2 3.87Å; M954-L964 HydrophobicContact CE-CD1 3.48Å; M954-L964 VanDerWaalsContact CE-CD1 3.48Å; M954-L964 HydrophobicContact CG-CD1 4.37Å; M954-L964 HydrophobicContact SD-CD1 3.82Å
955T32Very low49.1Very low147 Ų14777.6 Ų77.690%0.90242%0.423SS*.  trans-66.981.5170.4500000109.2
956F37.7Very low49.1Very low96 Ų9677.8 Ų77.842%0.42143%0.426SS..  trans-96.3144157.2-73.4-80.8000107.3I902 M954I902-F956 HydrophobicContact CB-CZ 4.5Å; I902-F956 HydrophobicContact CG2-CE1 3.98Å; I902-F956 HydrophobicContact CG2-CZ 3.66Å; M954-F956 HydrophobicContact CB-CD2 3.67Å; M954-F956 HydrophobicContact CB-CE2 3.74Å; M954-F956 HydrophobicContact CG-CE2 4.42Å; M954-F956 PolarHBondContact O-N 3.41Å; M954-F956 HydrophobicContact SD-CE2 3.87Å
957D31.9Very low49Very low154 Ų15472.7 Ų72.782%0.82441%0.409SS*.  trans-37.5148-175.2-78.8-41.1000114.6G959D957-G959 PolarHBondContact O-N 3Å
958E30.4Very low49.1Very low216 Ų21671.8 Ų71.8100%1.00941%0.405SS*.THydrogen-bonded Turntrans-56.429.3-170.3-61.6-173147.200117.7
959G36.2Very low49.2Very low76 Ų7672.4 Ų72.478%0.78441%0.408SS*.THydrogen-bonded Turntrans-140-3.8-175.700000117.4D957D957-G959 PolarHBondContact O-N 3Å
960S40Very low49.3Very low85 Ų8572.7 Ų72.759%0.59441%0.414SS*.  trans-121.4102.8-179.3620000113.1G962S960-G962 PolarHBondContact O-N 3.3Å
961N42.9Very low49.4Very low162 Ų16269.9 Ų69.987%0.86640%0.4SS*.  trans-72.664.5173.6-72.6-25.7000112
962G50.8Low49.8Very low32 Ų3267.5 Ų67.533%0.3338%0.38SS..  trans-97134.3177.300000113S960 S966S960-G962 PolarHBondContact O-N 3.3Å; G962-S966 WeakPolarHBondContact CA-OG 3.49Å
963T60.3Low50.3Low10 Ų1059.9 Ų59.96%0.06136%0.355CS..  trans-76.8156.2165.753.40000110.3F949 I965 S966 A967F949-T963 HydrophobicContact CD1-CG2 4.37Å; T963-I965 PolarHBondContact O-N 3.5Å; T963-S966 PolarHBondContact N-OG 3.13Å; T963-S966 WeakPolarHBondContact O-CA 3.38Å; T963-S966 WeakPolarHBondContact O-CB 3.36Å; T963-S966 PolarHBondContact O-N 2.78Å; T963-S966 PolarHBondContact O-OG 3.17Å; T963-S966 PolarHBondContact OG1-N 3.32Å; T963-S966 PolarHBondContact OG1-OG 3.01Å; T963-A967 PolarHBondContact O-N 3.24Å
964L62.4Low50.7Low14 Ų1464.4 Ų64.47%0.07337%0.368CS..Hα-helixtrans-55.7-39.1175.6-17378.1000111.2M894 F947 L948 M954 S966 A967 L968M894-L964 HydrophobicContact SD-CD2 4.45Å; F947-L964 HydrophobicContact CD1-CD2 3.67Å; F947-L964 HydrophobicContact CE1-CD2 3.11Å; F947-L964 HydrophobicContact CE2-CD2 4.46Å; F947-L964 HydrophobicContact CZ-CD2 3.57Å; L948-L964 PolarHBondContact O-N 3.22Å; M954-L964 HydrophobicContact CE-CD1 3.48Å; M954-L964 VanDerWaalsContact CE-CD1 3.48Å; M954-L964 HydrophobicContact CG-CD1 4.37Å; M954-L964 HydrophobicContact SD-CD1 3.82Å; L964-S966 VanDerWaalsContact C-N 3.27Å; L964-S966 PolarHBondContact O-N 3.02Å; L964-A967 PolarHBondContact O-N 3.14Å; L964-A967 VanDerWaalsContact O-N 3.11Å; L964-L968 HydrophobicContact CD2-CD1 4.31Å; L964-L968 HydrophobicContact CG-CD1 4.07Å; L964-L968 HydrophobicContact CG-CG 4.29Å; L964-L968 WeakPolarHBondContact O-CB 3.47Å; L964-L968 VanDerWaalsContact O-CG 3.24Å; L964-L968 WeakPolarHBondContact O-CG 3.47Å; L964-L968 PolarHBondContact O-N 3.27Å
965I63.7Low51.4Low3 Ų364.3 Ų64.32%0.01537%0.367CS..Hα-helixtrans-57.4-38.7174-68.8171000112L948 F949 T963 W1035 V1039 V1063L948-I965 HydrophobicContact CB-CD1 3.86Å; L948-I965 HydrophobicContact CB-CG1 4.2Å; L948-I965 HydrophobicContact CD2-CD1 4.18Å; L948-I965 HydrophobicContact CD2-CG1 3.92Å; L948-I965 HydrophobicContact CG-CD1 4.43Å; F949-I965 HydrophobicContact CD1-CD1 4.26Å; F949-I965 HydrophobicContact CE1-CD1 3.69Å; F949-I965 HydrophobicContact CE2-CD1 4.09Å; F949-I965 HydrophobicContact CZ-CD1 3.59Å; T963-I965 PolarHBondContact O-N 3.5Å; I965-W1035 HydrophobicContact CG2-CZ2 3.71Å; I965-W1035 PolarHBondContact O-NE1 3.01Å; I965-V1039 HydrophobicContact CG2-CG2 4.19Å; I965-V1063 HydrophobicContact CG2-CG1 4.35Å; I965-V1063 HydrophobicContact CG2-CG2 4.2Å
966S60.1Low52.2Low21 Ų2166.8 Ų66.815%0.14737%0.366CS..Hα-helixtrans-72.4-35.4175.973.80000112.6G962 T963 L964 M969G962-S966 WeakPolarHBondContact CA-OG 3.49Å; T963-S966 PolarHBondContact N-OG 3.13Å; T963-S966 WeakPolarHBondContact O-CA 3.38Å; T963-S966 WeakPolarHBondContact O-CB 3.36Å; T963-S966 PolarHBondContact O-N 2.78Å; T963-S966 PolarHBondContact O-OG 3.17Å; T963-S966 PolarHBondContact OG1-N 3.32Å; T963-S966 PolarHBondContact OG1-OG 3.01Å; L964-S966 VanDerWaalsContact C-N 3.27Å; L964-S966 PolarHBondContact O-N 3.02Å; S966-M969 PolarHBondContact O-N 2.93Å
967A61.7Low52.8Low25 Ų2565.6 Ų65.621%0.20736%0.36CS..Hα-helixtrans-71.1-36178.200000112.2I902 T963 L964 M969 A970 P971I902-A967 HydrophobicContact CD1-CB 3.79Å; T963-A967 PolarHBondContact O-N 3.24Å; L964-A967 PolarHBondContact O-N 3.14Å; L964-A967 VanDerWaalsContact O-N 3.11Å; A967-M969 PolarHBondContact O-N 3.32Å; A967-A970 PolarHBondContact O-N 3.31Å; A967-P971 WeakPolarHBondContact O-CD 3.15Å
968L64.7Low53.3Low6 Ų665.1 Ų65.13%0.03136%0.358CS..Hα-helixtrans-66.8-22.7175.6-71.2170.6000113.2M894 M918 L964M894-L968 HydrophobicContact CG-CD1 4.27Å; M894-L968 HydrophobicContact SD-CD1 4.04Å; M918-L968 HydrophobicContact CE-CD2 3.27Å; M918-L968 HydrophobicContact SD-CD2 3.82Å; L964-L968 HydrophobicContact CD2-CD1 4.31Å; L964-L968 HydrophobicContact CG-CD1 4.07Å; L964-L968 HydrophobicContact CG-CG 4.29Å; L964-L968 WeakPolarHBondContact O-CB 3.47Å; L964-L968 VanDerWaalsContact O-CG 3.24Å; L964-L968 WeakPolarHBondContact O-CG 3.47Å; L964-L968 PolarHBondContact O-N 3.27Å
969M64.3Low54Low17 Ų1761 Ų618%0.08435%0.347CS..Hα-helixtrans-86.3-24178.2-167.2179.25700113S966 A967 P971 A972 L973 W1035 L1067S966-M969 PolarHBondContact O-N 2.93Å; A967-M969 PolarHBondContact O-N 3.32Å; M969-P971 VanDerWaalsContact C-CD 3.41Å; M969-A972 PolarHBondContact O-N 3.06Å; M969-L973 HydrophobicContact CE-CD1 3.63Å; M969-L973 HydrophobicContact CG-CD1 3.65Å; M969-L973 HydrophobicContact CG-CG 4.07Å; M969-L973 WeakPolarHBondContact O-CG 3.05Å; M969-L973 PolarHBondContact O-N 3Å; M969-L973 HydrophobicContact SD-CD1 3.91Å; M969-W1035 HydrophobicContact CB-CZ2 4.44Å; M969-W1035 HydrophobicContact CG-CZ2 4.49Å; M969-W1035 HydrophobicContact SD-CD2 4.43Å; M969-W1035 HydrophobicContact SD-CE3 4.48Å; M969-W1035 HydrophobicContact SD-CH2 3.87Å; M969-W1035 HydrophobicContact SD-CZ2 3.75Å; M969-W1035 HydrophobicContact SD-CZ3 4.21Å; M969-L1067 HydrophobicContact CE-CD2 3.93Å; M969-L1067 HydrophobicContact CE-CG 4.47Å; M969-L1067 HydrophobicContact SD-CD2 3.51Å; M969-L1067 VanDerWaalsContact SD-CD2 3.51Å
970A61.1Low54.2Low27 Ų2764.9 Ų64.922%0.22335%0.35CS..Hα-helixtrans-57.6-37.6-174.700000114.9A967 L973 R974A967-A970 PolarHBondContact O-N 3.31Å; A970-L973 PolarHBondContact O-N 2.97Å; A970-R974 VanDerWaalsContact O-CG 3.32Å; A970-R974 WeakPolarHBondContact O-CG 3.35Å; A970-R974 PolarHBondContact O-N 3.41Å
971P59Low54.4Low9 Ų966.6 Ų66.66%0.05835%0.347CS..Hα-helixtrans-65-48.4178.4-21.934.6000113.2I901 M915 A967 M969 L973 R974I901-P971 HydrophobicContact CB-CG 4.36Å; I901-P971 HydrophobicContact CG2-CB 3.4Å; I901-P971 VanDerWaalsContact CG2-CB 3.4Å; I901-P971 HydrophobicContact CG2-CG 3.3Å; M915-P971 HydrophobicContact CE-CB 4.32Å; A967-P971 WeakPolarHBondContact O-CD 3.15Å; M969-P971 VanDerWaalsContact C-CD 3.41Å; P971-L973 PolarHBondContact O-N 3.5Å; P971-L973 VanDerWaalsContact O-N 3.17Å; P971-R974 PolarHBondContact O-N 2.91Å; P971-R974 VanDerWaalsContact O-N 3.14Å
972A56.8Low54.4Low5 Ų566.9 Ų66.94%0.04135%0.349CS..Hα-helixtrans-59.8-25.6176.900000113.6M969 E1031M969-A972 PolarHBondContact O-N 3.06Å; A972-E1031 HydrophobicContact CB-CG 4.47Å; A972-E1031 WeakPolarHBondContact CB-OE2 3.2Å
973L55Low54.4Low56 Ų5670.3 Ų70.329%0.29336%0.359SS..Hα-helixtrans-91.3-17.7180-67.4175.6000113.9M969 A970 P971 H1070M969-L973 HydrophobicContact CE-CD1 3.63Å; M969-L973 HydrophobicContact CG-CD1 3.65Å; M969-L973 HydrophobicContact CG-CG 4.07Å; M969-L973 WeakPolarHBondContact O-CG 3.05Å; M969-L973 PolarHBondContact O-N 3Å; M969-L973 HydrophobicContact SD-CD1 3.91Å; A970-L973 PolarHBondContact O-N 2.97Å; P971-L973 PolarHBondContact O-N 3.5Å; P971-L973 VanDerWaalsContact O-N 3.17Å; L973-H1070 HydrophobicContact CD1-CB 4.4Å
974R55.8Low54Low161 Ų16173.8 Ų73.861%0.60838%0.381SS*.Hα-helixtrans-81.4-21.3176.7-76.6174.4-177-175.12.8112.9P906 A970 P971 K976P906-R974 HydrophobicContact CG-CB 4.45Å; A970-R974 VanDerWaalsContact O-CG 3.32Å; A970-R974 WeakPolarHBondContact O-CG 3.35Å; A970-R974 PolarHBondContact O-N 3.41Å; P971-R974 PolarHBondContact O-N 2.91Å; P971-R974 VanDerWaalsContact O-N 3.14Å; R974-K976 PolarHBondContact O-N 3.26Å
975M53.7Low53.5Low28 Ų2881 Ų8114%0.13841%0.414CS..  trans-74.8105.9173.8-73.7-123.6147.800110.7P906 I912 F977P906-M975 HydrophobicContact CB-CE 3.56Å; P906-M975 HydrophobicContact CB-CG 4.08Å; P906-M975 WeakPolarHBondContact O-CE 3.4Å; I912-M975 HydrophobicContact CG1-CE 4.4Å; M975-F977 HydrophobicContact CB-CD2 4.44Å; M975-F977 HydrophobicContact CB-CE2 4.2Å; M975-F977 HydrophobicContact CE-CZ 4.48Å; M975-F977 HydrophobicContact CG-CE2 4.47Å; M975-F977 HydrophobicContact SD-CD2 4.37Å; M975-F977 HydrophobicContact SD-CE2 3.32Å; M975-F977 WeakPolarHBondContact SD-CE2 3.46Å; M975-F977 HydrophobicContact SD-CZ 3.6Å; M975-F977 VanDerWaalsContact SD-CZ 3.6Å
976K48.3Very low52.7Low200 Ų20085.3 Ų85.387%0.8744%0.437SS*.  trans-98.2100.6165.8-76-175.4177.3-178.60108.6R974R974-K976 PolarHBondContact O-N 3.26Å
977F49.3Very low52.2Low70 Ų7085.3 Ų85.331%0.30744%0.436SS..  trans-91.5124.6163.4-70.1-72.9000109.3M975 T979 E1028M975-F977 HydrophobicContact CB-CD2 4.44Å; M975-F977 HydrophobicContact CB-CE2 4.2Å; M975-F977 HydrophobicContact CE-CZ 4.48Å; M975-F977 HydrophobicContact CG-CE2 4.47Å; M975-F977 HydrophobicContact SD-CD2 4.37Å; M975-F977 HydrophobicContact SD-CE2 3.32Å; M975-F977 WeakPolarHBondContact SD-CE2 3.46Å; M975-F977 HydrophobicContact SD-CZ 3.6Å; M975-F977 VanDerWaalsContact SD-CZ 3.6Å; F977-T979 PolarHBondContact O-N 3.31Å; F977-T979 VanDerWaalsContact O-N 3.14Å; F977-E1028 WeakPolarHBondContact CD2-OE2 3.18Å
978D44Very low51.6Low144 Ų14491.4 Ų91.477%0.7746%0.458SS*.  trans-63.2112.2165.3-88.6-26.9000107.8D980D978-D980 PolarHBondContact O-N 2.93Å
979T45.1Very low50.8Low129 Ų12997.7 Ų97.779%0.79149%0.487SS*.  trans-79.1-3-176.3410000113.3F977 F981F977-T979 PolarHBondContact O-N 3.31Å; F977-T979 VanDerWaalsContact O-N 3.14Å; T979-F981 PolarHBondContact O-N 3.43Å
980D38.7Very low50Low159 Ų15996.9 Ų96.985%0.8548%0.483SS*.  trans-94.165.1177.9-75.2-24.4000112D978D978-D980 PolarHBondContact O-N 2.93Å
981F45.9Very low49.4Very low121 Ų12196.6 Ų96.653%0.53148%0.479SS..  trans-94.3121.7168.9-96.4-90.8000111.3T979 I983 F1017T979-F981 PolarHBondContact O-N 3.43Å; F981-I983 VanDerWaalsContact C-N 3.35Å; F981-I983 PolarHBondContact O-N 3.47Å; F981-F1017 HydrophobicContact CE1-CE1 4.37Å; F981-F1017 HydrophobicContact CE1-CZ 4.25Å; F981-F1017 HydrophobicContact CZ-CZ 4.37Å
982N42.7Very low48.7Very low167 Ų167100.3 Ų100.389%0.89350%0.502SS*.  trans-69.591.6168-104.1-30.5000109.1P984N982-P984 WeakPolarHBondContact O-CD 3.32Å
983I51Low48.1Very low105 Ų105103.7 Ų103.754%0.53852%0.521SS..  trans-63.8122.2178.2-63.9176000109.4F981 V987F981-I983 VanDerWaalsContact C-N 3.35Å; F981-I983 PolarHBondContact O-N 3.47Å; I983-V987 HydrophobicContact CG2-CB 3.27Å; I983-V987 HydrophobicContact CG2-CG1 3.49Å; I983-V987 VanDerWaalsContact CG2-CG1 3.49Å; I983-V987 HydrophobicContact CG2-CG2 3.67Å
984P51.1Low47.1Very low83 Ų83108.5 Ų108.554%0.53955%0.545SS..  trans-57.8144.9177.6-22.932.5000111.7N982 L986 V987N982-P984 WeakPolarHBondContact O-CD 3.32Å; P984-L986 PolarHBondContact O-N 2.97Å; P984-V987 PolarHBondContact O-N 3.24Å
985H51.2Low46.1Very low166 Ų166103.6 Ų103.677%0.76953%0.532SS*.THydrogen-bonded Turntrans-46.7-28.6179.8-94.7-82.5000114.3V987 K988H985-V987 PolarHBondContact O-N 2.86Å; H985-K988 PolarHBondContact O-N 3.07Å
986L47Very low45Very low93 Ų93108.7 Ų108.749%0.48757%0.567SS.*THydrogen-bonded Turntrans-63.5-30.9177.4-89.3100.3000114.9P984 K988 E989P984-L986 PolarHBondContact O-N 2.97Å; L986-K988 VanDerWaalsContact C-N 3.32Å; L986-K988 PolarHBondContact O-N 3.1Å; L986-E989 PolarHBondContact O-N 3.39Å
987V50.2Low44.4Very low20 Ų20106.9 Ų106.912%0.12156%0.56CS.*Hα-helixtrans-73.5-28-179.3175.30000111.3I983 P984 H985 E989 A990 C991 L1007I983-V987 HydrophobicContact CG2-CB 3.27Å; I983-V987 HydrophobicContact CG2-CG1 3.49Å; I983-V987 VanDerWaalsContact CG2-CG1 3.49Å; I983-V987 HydrophobicContact CG2-CG2 3.67Å; P984-V987 PolarHBondContact O-N 3.24Å; H985-V987 PolarHBondContact O-N 2.86Å; V987-E989 PolarHBondContact O-N 3.45Å; V987-A990 PolarHBondContact O-N 3.15Å; V987-C991 PolarHBondContact O-N 3.06Å; V987-C991 PolarHBondContact O-SG 2.96Å; V987-L1007 HydrophobicContact CB-CD1 4.05Å; V987-L1007 HydrophobicContact CG1-CD1 3.55Å; V987-L1007 HydrophobicContact CG2-CD1 3.81Å
988K48.9Very low43.5Very low154 Ų154106.9 Ų106.967%0.6758%0.579SS**Hα-helixtrans-62.3-26.9175.8-106.5178.7178.91750113H985 L986H985-K988 PolarHBondContact O-N 3.07Å; L986-K988 VanDerWaalsContact C-N 3.32Å; L986-K988 PolarHBondContact O-N 3.1Å
989E47.9Very low43.3Very low137 Ų137104.5 Ų104.564%0.6456%0.562SS**Hα-helixtrans-81.9-21.1175.7-67.2-172.3159.500113L986 V987L986-E989 PolarHBondContact O-N 3.39Å; V987-E989 PolarHBondContact O-N 3.45Å
990A47Very low43.1Very low0 Ų0103.5 Ų103.50%055%0.551CS.*Hα-helixtrans-86.1-22.2177.600000113.4V987 T992 R1006 L1007 L1010V987-A990 PolarHBondContact O-N 3.15Å; A990-T992 PolarHBondContact O-N 3.26Å; A990-R1006 HydrophobicContact CB-CG 4.45Å; A990-L1007 HydrophobicContact CB-CB 4.23Å; A990-L1007 HydrophobicContact CB-CD1 4.25Å; A990-L1010 HydrophobicContact CB-CD1 3.82Å
991C49.4Very low43.3Very low21 Ų21101.7 Ų101.714%0.14254%0.538CS..EExtended strand (participates in β ladder)trans-88.6102.8180-59.10000111.4V987 L1000 C1002V987-C991 PolarHBondContact O-N 3.06Å; V987-C991 PolarHBondContact O-SG 2.96Å; C991-L1000 HydrophobicContact CB-CB 4.25Å; C991-L1000 HydrophobicContact CB-CD2 3.5Å; C991-L1000 HydrophobicContact CB-CG 4.43Å; C991-C1002 VanDerWaalsContact SG-SG 3.61Å
992T44.9Very low43.3Very low87 Ų8797.3 Ų97.353%0.53452%0.522SS..EExtended strand (participates in β ladder)trans-108.30.9-173.947.90000116.4A990A990-T992 PolarHBondContact O-N 3.26Å
993V44Very low43.5Very low76 Ų7692.9 Ų92.946%0.46150%0.498SS..EExtended strand (participates in β ladder)trans-133.8115.1179.1-1720000111.2V995 Q1001V993-V995 PolarHBondContact O-N 3.47Å; V993-Q1001 PolarHBondContact O-N 3.41Å
994M32.3Very low43.4Very low158 Ų15891 Ų9178%0.77849%0.494SS*.EExtended strand (participates in β ladder)trans-74.8112.8160.8-78.2-154.8-57.500108.2
995V34.9Very low43.1Very low57 Ų5791.7 Ų91.735%0.34549%0.493SS..  trans-65.7147.4164.2-177.90000107.4V993 K997 G998 F999 Q1001V993-V995 PolarHBondContact O-N 3.47Å; V995-K997 PolarHBondContact O-N 3.36Å; V995-G998 PolarHBondContact O-N 2.81Å; V995-F999 PolarHBondContact N-O 3.35Å; V995-Q1001 HydrophobicContact CG2-CB 4.35Å
996P30.5Very low43Very low135 Ų13588.7 Ų88.788%0.87748%0.475SS*.THydrogen-bonded Turntrans-6114.5-174.7-22.633.1000116.9
997K36Very low43Very low163 Ų16384.6 Ų84.671%0.70945%0.453SS*.THydrogen-bonded Turntrans-130.216.5-177.3-64.8-171.5176.1-174.90114.1V995 F999V995-K997 PolarHBondContact O-N 3.36Å; K997-F999 HydrophobicContact CB-CD2 3.94Å; K997-F999 HydrophobicContact CB-CE2 4.06Å
998G31.1Very low43Very low70 Ų7085.2 Ų85.272%0.72246%0.456SS*.SBendtrans821317400000115.5V995V995-G998 PolarHBondContact O-N 2.81Å
999F39.3Very low43.1Very low93 Ų9381.3 Ų81.341%0.40845%0.448SS..  trans-93.5136.2173.5-62.4-83.1000110.7V995 K997 M1076V995-F999 PolarHBondContact N-O 3.35Å; K997-F999 HydrophobicContact CB-CD2 3.94Å; K997-F999 HydrophobicContact CB-CE2 4.06Å; F999-M1076 HydrophobicContact CE1-CE 3.86Å; F999-M1076 HydrophobicContact CZ-CE 3.86Å
1000L40.2Very low43.2Very low108 Ų10878 Ų7857%0.56543%0.434SS*.EExtended strand (participates in β ladder)trans-84.2112.2170.5-79.3151.3000108.3C991 C1002C991-L1000 HydrophobicContact CB-CB 4.25Å; C991-L1000 HydrophobicContact CB-CD2 3.5Å; C991-L1000 HydrophobicContact CB-CG 4.43Å; L1000-C1002 PolarHBondContact O-N 3.33Å
1001Q44.7Very low43.5Very low121 Ų12179.6 Ų79.657%0.56544%0.443SS*.EExtended strand (participates in β ladder)trans-79.1115.7166.3-170.9173.4-8.500107.9V993 V995V993-Q1001 PolarHBondContact O-N 3.41Å; V995-Q1001 HydrophobicContact CG2-CB 4.35Å
1002C45Very low43.7Very low29 Ų2987.7 Ų87.720%0.19648%0.478CS..EExtended strand (participates in β ladder)trans-89.5131.6172.7-159.60000109.9C991 L1000 C1004 L1007C991-C1002 VanDerWaalsContact SG-SG 3.61Å; L1000-C1002 PolarHBondContact O-N 3.33Å; C1002-C1004 PolarHBondContact O-N 3.09Å; C1002-L1007 WeakPolarHBondContact SG-CD1 3.26Å
1003D47.8Very low43.9Very low75 Ų7587.1 Ų87.140%0.40149%0.49SS..  trans-75.2102.9167.5-176.7-10.8000107.4D1005 R1006 L1007D1003-D1005 PolarHBondContact O-N 3.33Å; D1003-D1005 PolarHBondContact OD1-N 3.21Å; D1003-R1006 HydrophobicContact CB-CB 3.76Å; D1003-R1006 PolarHBondContact O-N 3.44Å; D1003-R1006 PolarHBondContact OD1-N 3.4Å; D1003-L1007 WeakPolarHBondContact O-CB 3.43Å; D1003-L1007 PolarHBondContact O-N 3.06Å
1004C47.4Very low44.2Very low66 Ų6689.5 Ų89.545%0.44650%0.496SS..Hα-helixtrans-57.9-38.3-176.3-68.70000111.3C1002 R1006 L1007 L1008C1002-C1004 PolarHBondContact O-N 3.09Å; C1004-R1006 VanDerWaalsContact C-N 3.35Å; C1004-L1007 PolarHBondContact O-N 3.22Å; C1004-L1008 VanDerWaalsContact O-CB 3.23Å; C1004-L1008 WeakPolarHBondContact O-CB 3.46Å; C1004-L1008 WeakPolarHBondContact O-CD1 3.31Å; C1004-L1008 WeakPolarHBondContact O-CG 3.45Å; C1004-L1008 PolarHBondContact O-N 2.66Å
1005D45.3Very low44.9Very low96 Ų9687.7 Ų87.751%0.51348%0.484SS..Hα-helixtrans-67.9-39.8-179.7-71.4-17.2000110.5D1003 L1008 S1009D1003-D1005 PolarHBondContact O-N 3.33Å; D1003-D1005 PolarHBondContact OD1-N 3.21Å; D1005-L1008 PolarHBondContact O-N 3.21Å; D1005-S1009 PolarHBondContact O-N 2.79Å
1006R48.5Very low45.4Very low103 Ų10388.7 Ų88.739%0.38950%0.498SS..Hα-helixtrans-66.7-41.1173.9-165.9170.6-179.8169.2-2.1112.4A990 D1003 C1004 S1009 L1010A990-R1006 HydrophobicContact CB-CG 4.45Å; D1003-R1006 HydrophobicContact CB-CB 3.76Å; D1003-R1006 PolarHBondContact O-N 3.44Å; D1003-R1006 PolarHBondContact OD1-N 3.4Å; C1004-R1006 VanDerWaalsContact C-N 3.35Å; R1006-S1009 PolarHBondContact O-N 3.05Å; R1006-S1009 PolarHBondContact O-OG 3.18Å; R1006-L1010 HydrophobicContact CG-CD1 4.45Å; R1006-L1010 WeakPolarHBondContact O-CG 3.45Å; R1006-L1010 PolarHBondContact O-N 3.34Å
1007L47.4Very low46Very low7 Ų788.1 Ų88.14%0.03748%0.482CS..Hα-helixtrans-67.3-39176.2-169.8123.1000111.7V987 A990 C1002 D1003 C1004 S1009 L1010 L1011 A1018 L1022V987-L1007 HydrophobicContact CB-CD1 4.05Å; V987-L1007 HydrophobicContact CG1-CD1 3.55Å; V987-L1007 HydrophobicContact CG2-CD1 3.81Å; A990-L1007 HydrophobicContact CB-CB 4.23Å; A990-L1007 HydrophobicContact CB-CD1 4.25Å; C1002-L1007 WeakPolarHBondContact SG-CD1 3.26Å; D1003-L1007 WeakPolarHBondContact O-CB 3.43Å; D1003-L1007 PolarHBondContact O-N 3.06Å; C1004-L1007 PolarHBondContact O-N 3.22Å; L1007-S1009 VanDerWaalsContact C-N 3.32Å; L1007-S1009 PolarHBondContact O-N 2.96Å; L1007-L1010 PolarHBondContact O-N 3.29Å; L1007-L1011 HydrophobicContact CD2-CD1 3.37Å; L1007-L1011 HydrophobicContact CG-CD1 3.71Å; L1007-L1011 HydrophobicContact CG-CG 4.42Å; L1007-L1011 WeakPolarHBondContact O-CB 3.02Å; L1007-L1011 WeakPolarHBondContact O-CG 3.47Å; L1007-L1011 PolarHBondContact O-N 3.11Å; L1007-A1018 HydrophobicContact CD2-CB 4.19Å; L1007-L1022 HydrophobicContact CD1-CD1 4.38Å; L1007-L1022 HydrophobicContact CD2-CD1 3.6Å
1008L49.7Very low46.4Very low33 Ų3381 Ų8117%0.17345%0.454CS..Hα-helixtrans-64.8-34.3174-74.8164.7000112.1C1004 D1005 K1015 L1019C1004-L1008 VanDerWaalsContact O-CB 3.23Å; C1004-L1008 WeakPolarHBondContact O-CB 3.46Å; C1004-L1008 WeakPolarHBondContact O-CD1 3.31Å; C1004-L1008 WeakPolarHBondContact O-CG 3.45Å; C1004-L1008 PolarHBondContact O-N 2.66Å; D1005-L1008 PolarHBondContact O-N 3.21Å; L1008-K1015 HydrophobicContact CD2-CD 4.35Å; L1008-K1015 HydrophobicContact CD2-CG 3.8Å; L1008-L1019 HydrophobicContact CD1-CD2 4.5Å; L1008-L1019 HydrophobicContact CD2-CD1 4.14Å; L1008-L1019 HydrophobicContact CD2-CD2 4.43Å; L1008-L1019 HydrophobicContact CD2-CG 4.19Å
1009S51.5Low47.2Very low72 Ų7282 Ų8250%0.50344%0.442SS..Hα-helixtrans-69.1-32.3174.977.60000112.9D1005 R1006 L1007D1005-S1009 PolarHBondContact O-N 2.79Å; R1006-S1009 PolarHBondContact O-N 3.05Å; R1006-S1009 PolarHBondContact O-OG 3.18Å; L1007-S1009 VanDerWaalsContact C-N 3.32Å; L1007-S1009 PolarHBondContact O-N 2.96Å
1010L50.9Low47.7Very low68 Ų6881.6 Ų81.636%0.35644%0.442SS..Hα-helixtrans-83.5-27.8-179.5-71.7164.6000113A990 R1006 L1007 Q1012A990-L1010 HydrophobicContact CB-CD1 3.82Å; R1006-L1010 HydrophobicContact CG-CD1 4.45Å; R1006-L1010 WeakPolarHBondContact O-CG 3.45Å; R1006-L1010 PolarHBondContact O-N 3.34Å; L1007-L1010 PolarHBondContact O-N 3.29Å; L1010-Q1012 PolarHBondContact O-N 3.22Å
1011L51.9Low48.1Very low34 Ų3478.5 Ų78.518%0.17843%0.427CS..  trans-96.749.3-175.4-68.5173.3000113.2L1007 G1013 E1014 A1018L1007-L1011 HydrophobicContact CD2-CD1 3.37Å; L1007-L1011 HydrophobicContact CG-CD1 3.71Å; L1007-L1011 HydrophobicContact CG-CG 4.42Å; L1007-L1011 WeakPolarHBondContact O-CB 3.02Å; L1007-L1011 WeakPolarHBondContact O-CG 3.47Å; L1007-L1011 PolarHBondContact O-N 3.11Å; L1011-G1013 PolarHBondContact O-N 3.05Å; L1011-E1014 PolarHBondContact O-N 3.44Å; L1011-E1014 VanDerWaalsContact O-N 3.13Å; L1011-A1018 HydrophobicContact CD1-CB 3.75Å
1012Q53.8Low48.4Very low190 Ų19076.1 Ų76.189%0.88842%0.418SS*.THydrogen-bonded Turntrans-50.89.3-173.4-70.4-174.2-13.600118.2L1010L1010-Q1012 PolarHBondContact O-N 3.22Å
1013G50Low48.6Very low75 Ų7576 Ų7677%0.77342%0.422SS*.THydrogen-bonded Turntrans-145.8-8.8171.900000117.5L1011L1011-G1013 PolarHBondContact O-N 3.05Å
1014E49.5Very low48.7Very low127 Ų12772.6 Ų72.659%0.59340%0.404SS*.  trans-115.229.1-171.9-66.5-173.7169.400114L1011 A1016 F1017 A1018L1011-E1014 PolarHBondContact O-N 3.44Å; L1011-E1014 VanDerWaalsContact O-N 3.13Å; E1014-A1016 PolarHBondContact O-N 3.38Å; E1014-F1017 PolarHBondContact O-N 3.48Å; E1014-A1018 PolarHBondContact O-N 3.43Å
1015K46.8Very low48.9Very low119 Ų11971.9 Ų71.952%0.51740%0.4SS..Hα-helixtrans-51.9-43.3-172.2-90.2-171.9168.8178.10115.4L1008 L1019L1008-K1015 HydrophobicContact CD2-CD 4.35Å; L1008-K1015 HydrophobicContact CD2-CG 3.8Å; K1015-L1019 WeakPolarHBondContact O-CD1 3.45Å; K1015-L1019 WeakPolarHBondContact O-CG 3.46Å; K1015-L1019 PolarHBondContact O-N 3.37Å
1016A46.4Very low49.4Very low79 Ų7974.6 Ų74.665%0.65341%0.407SS*.Hα-helixtrans-72.7-40.3-171.800000112.6E1014 Q1020E1014-A1016 PolarHBondContact O-N 3.38Å; A1016-Q1020 WeakPolarHBondContact O-CB 3.23Å; A1016-Q1020 PolarHBondContact O-N 3.44Å
1017F42Very low49.8Very low122 Ų12269.9 Ų69.954%0.53539%0.39SS..Hα-helixtrans-72.7-42.4-176.7-172.5-102.3000111.8F981 E1014 L1019 Q1020 V1021F981-F1017 HydrophobicContact CE1-CE1 4.37Å; F981-F1017 HydrophobicContact CE1-CZ 4.25Å; F981-F1017 HydrophobicContact CZ-CZ 4.37Å; E1014-F1017 PolarHBondContact O-N 3.48Å; F1017-L1019 PolarHBondContact O-N 3.48Å; F1017-Q1020 PolarHBondContact O-N 3.46Å; F1017-V1021 HydrophobicContact CD1-CG2 4.32Å; F1017-V1021 HydrophobicContact CD2-CG2 4.41Å; F1017-V1021 HydrophobicContact CE1-CG2 4.01Å; F1017-V1021 HydrophobicContact CE2-CG2 4.11Å; F1017-V1021 HydrophobicContact CZ-CG2 3.9Å; F1017-V1021 WeakPolarHBondContact O-CG2 3.31Å; F1017-V1021 PolarHBondContact O-N 3.45Å; F1017-V1021 VanDerWaalsContact O-N 3.1Å
1018A44.6Very low50.2Low15 Ų1571.4 Ų71.412%0.12440%0.397CS..Hα-helixtrans-63.8-39.7179.100000112.6L1007 L1011 E1014 L1022L1007-A1018 HydrophobicContact CD2-CB 4.19Å; L1011-A1018 HydrophobicContact CD1-CB 3.75Å; E1014-A1018 PolarHBondContact O-N 3.43Å; A1018-L1022 VanDerWaalsContact O-CB 3.23Å; A1018-L1022 WeakPolarHBondContact O-CB 3.38Å; A1018-L1022 WeakPolarHBondContact O-CG 3.44Å; A1018-L1022 PolarHBondContact O-N 2.92Å
1019L49Very low50.6Low90 Ų9072.6 Ų72.647%0.47140%0.403SS..Hα-helixtrans-68.5-39.1177.4-76.5169.2000112.6L1008 K1015 F1017 G1023L1008-L1019 HydrophobicContact CD1-CD2 4.5Å; L1008-L1019 HydrophobicContact CD2-CD1 4.14Å; L1008-L1019 HydrophobicContact CD2-CD2 4.43Å; L1008-L1019 HydrophobicContact CD2-CG 4.19Å; K1015-L1019 WeakPolarHBondContact O-CD1 3.45Å; K1015-L1019 WeakPolarHBondContact O-CG 3.46Å; K1015-L1019 PolarHBondContact O-N 3.37Å; F1017-L1019 PolarHBondContact O-N 3.48Å; L1019-G1023 WeakPolarHBondContact O-CA 3.32Å; L1019-G1023 PolarHBondContact O-N 3.11Å
1020Q50.2Low50.9Low85 Ų8572.8 Ų72.840%0.39740%0.395SS..Hα-helixtrans-70-40.6-178.5-155.8172.522.300111.7A1016 F1017 G1024A1016-Q1020 WeakPolarHBondContact O-CB 3.23Å; A1016-Q1020 PolarHBondContact O-N 3.44Å; F1017-Q1020 PolarHBondContact O-N 3.46Å; Q1020-G1024 PolarHBondContact O-N 2.74Å
1021V48.3Very low51.5Low43 Ų4369.8 Ų69.826%0.26138%0.379SS..Hα-helixtrans-77.2-44.6-179.1178.40000112F1017F1017-V1021 HydrophobicContact CD1-CG2 4.32Å; F1017-V1021 HydrophobicContact CD2-CG2 4.41Å; F1017-V1021 HydrophobicContact CE1-CG2 4.01Å; F1017-V1021 HydrophobicContact CE2-CG2 4.11Å; F1017-V1021 HydrophobicContact CZ-CG2 3.9Å; F1017-V1021 WeakPolarHBondContact O-CG2 3.31Å; F1017-V1021 PolarHBondContact O-N 3.45Å; F1017-V1021 VanDerWaalsContact O-N 3.1Å
1022L50.1Low52.1Low71 Ų7169.8 Ų69.837%0.37238%0.378SS..Hα-helixtrans-74.3-36.4179.9-68.2166.6000112.1L1007 A1018 S1025L1007-L1022 HydrophobicContact CD1-CD1 4.38Å; L1007-L1022 HydrophobicContact CD2-CD1 3.6Å; A1018-L1022 VanDerWaalsContact O-CB 3.23Å; A1018-L1022 WeakPolarHBondContact O-CB 3.38Å; A1018-L1022 WeakPolarHBondContact O-CG 3.44Å; A1018-L1022 PolarHBondContact O-N 2.92Å; L1022-S1025 PolarHBondContact O-OG 3.32Å
1023G49.8Very low52.5Low27 Ų2762.8 Ų62.828%0.27835%0.352SS..Hα-helixtrans-62.5-49.9175.700000112.2L1019 S1025 K1026 V1027L1019-G1023 WeakPolarHBondContact O-CA 3.32Å; L1019-G1023 PolarHBondContact O-N 3.11Å; G1023-S1025 VanDerWaalsContact C-N 3.33Å; G1023-S1025 PolarHBondContact O-N 3.31Å; G1023-K1026 PolarHBondContact O-N 2.58Å; G1023-V1027 WeakPolarHBondContact O-CG2 3.34Å; G1023-V1027 PolarHBondContact O-N 3.17Å
1024G50.2Low53.3Low3 Ų359.2 Ų59.23%0.03132%0.315CS..Hα-helixtrans-56.2-42.1-178.900000114Q1020 K1026 E1028Q1020-G1024 PolarHBondContact O-N 2.74Å; G1024-K1026 PolarHBondContact O-N 3.41Å; G1024-E1028 PolarHBondContact O-N 2.89Å
1025S51.5Low54.3Low51 Ų5153.9 Ų53.936%0.35729%0.29SS..Hα-helixtrans-66-34.5-179.870.60000114.1L1022 G1023L1022-S1025 PolarHBondContact O-OG 3.32Å; G1023-S1025 VanDerWaalsContact C-N 3.33Å; G1023-S1025 PolarHBondContact O-N 3.31Å
1026K56.4Low55.3Low153 Ų15352 Ų5267%0.66528%0.28SS*.Hα-helixtrans-74.2-40.3-178.9-172.5-175175.2-165.50111.5G1023 G1024 F1030G1023-K1026 PolarHBondContact O-N 2.58Å; G1024-K1026 PolarHBondContact O-N 3.41Å; K1026-F1030 WeakPolarHBondContact O-CB 2.85Å; K1026-F1030 PolarHBondContact O-N 3.14Å; K1026-F1030 VanDerWaalsContact O-N 3.13Å
1027V55.5Low56.3Low4 Ų449.4 Ų49.42%0.02426%0.26CS..Hα-helixtrans-65.9-42.8179.1-179.50000110.9I912 M915 E916 G1023 L1029 F1030 E1031I912-V1027 HydrophobicContact CG2-CB 4.24Å; I912-V1027 HydrophobicContact CG2-CG1 4.31Å; I912-V1027 HydrophobicContact CG2-CG2 3.72Å; M915-V1027 HydrophobicContact CB-CG1 3.67Å; E916-V1027 HydrophobicContact CG-CB 4.26Å; E916-V1027 HydrophobicContact CG-CG1 3.89Å; E916-V1027 HydrophobicContact CG-CG2 3.41Å; E916-V1027 VanDerWaalsContact CG-CG2 3.41Å; E916-V1027 WeakPolarHBondContact OE1-CG2 3.36Å; G1023-V1027 WeakPolarHBondContact O-CG2 3.34Å; G1023-V1027 PolarHBondContact O-N 3.17Å; V1027-L1029 PolarHBondContact O-N 3.4Å; V1027-F1030 PolarHBondContact O-N 2.92Å; V1027-E1031 WeakPolarHBondContact O-CB 3.3Å; V1027-E1031 PolarHBondContact O-N 3.27Å
1028E57.1Low57.8Low39 Ų3943.7 Ų43.718%0.18224%0.235CC..Hα-helixtrans-58.2-44.4178.6-169-168155.700112.5F977 G1024 K1032F977-E1028 WeakPolarHBondContact CD2-OE2 3.18Å; G1024-E1028 PolarHBondContact O-N 2.89Å; E1028-K1032 HydrophobicContact CG-CD 4.42Å; E1028-K1032 WeakPolarHBondContact O-CB 3.39Å; E1028-K1032 VanDerWaalsContact O-CG 3.26Å; E1028-K1032 WeakPolarHBondContact O-CG 3.09Å; E1028-K1032 PolarHBondContact O-N 3.26Å; E1028-K1032 IonicContact OE1-NZ 2.69Å; E1028-K1032 PolarHBondContact OE1-NZ 3.36Å
1029L57.5Low59Low58 Ų5843.2 Ų43.230%0.30423%0.23SC..Hα-helixtrans-66.7-44.3176.9-84.3154.4000111.8V1027 K1032 A1033V1027-L1029 PolarHBondContact O-N 3.4Å; L1029-K1032 PolarHBondContact O-N 3.12Å; L1029-A1033 PolarHBondContact O-N 3Å
1030F57.9Low59.8Low76 Ų7642 Ų4233%0.33322%0.222SC..Hα-helixtrans-66.5-41.7-176.4-169.2-112000112.2A919 H920 K1026 V1027 A1033 A1034A919-F1030 HydrophobicContact CB-CD1 3.29Å; A919-F1030 HydrophobicContact CB-CE1 3.42Å; A919-F1030 VanDerWaalsContact CB-CE1 3.42Å; A919-F1030 HydrophobicContact CB-CG 4.35Å; H920-F1030 AromaticContact CE1-CE1 3.58Å; H920-F1030 AromaticContact CE1-CZ 3.58Å; H920-F1030 AromaticContact ND1-CE1 3.87Å; H920-F1030 AromaticContact ND1-CZ 3.85Å; H920-F1030 AromaticContact NE2-CE1 3.94Å; K1026-F1030 WeakPolarHBondContact O-CB 2.85Å; K1026-F1030 PolarHBondContact O-N 3.14Å; K1026-F1030 VanDerWaalsContact O-N 3.13Å; V1027-F1030 PolarHBondContact O-N 2.92Å; F1030-A1033 PolarHBondContact O-N 2.96Å; F1030-A1034 WeakPolarHBondContact O-CB 3.48Å; F1030-A1034 PolarHBondContact O-N 3.47Å
1031E63.3Low60.7Low4 Ų438 Ų382%0.01920%0.204CC..Hα-helixtrans-65.5-42.5176.9-168.5-175.1-174.700111.9M915 M922 A972 V1027 A1033 A1034 W1035M915-E1031 WeakPolarHBondContact CE-OE2 3.44Å; M922-E1031 HydrophobicContact CE-CG 3.87Å; A972-E1031 HydrophobicContact CB-CG 4.47Å; A972-E1031 WeakPolarHBondContact CB-OE2 3.2Å; V1027-E1031 WeakPolarHBondContact O-CB 3.3Å; V1027-E1031 PolarHBondContact O-N 3.27Å; E1031-A1033 VanDerWaalsContact C-N 3.33Å; E1031-A1033 PolarHBondContact O-N 3.46Å; E1031-A1034 PolarHBondContact O-N 2.77Å; E1031-W1035 WeakPolarHBondContact O-CB 3.31Å; E1031-W1035 PolarHBondContact O-N 2.59Å
1032K63.6Low61.5Low35 Ų3536.1 Ų36.115%0.15219%0.193CC..Hα-helixtrans-61.2-40.6176-75.3175.7-176176.70112.1E1028 L1029 R1036E1028-K1032 HydrophobicContact CG-CD 4.42Å; E1028-K1032 WeakPolarHBondContact O-CB 3.39Å; E1028-K1032 VanDerWaalsContact O-CG 3.26Å; E1028-K1032 WeakPolarHBondContact O-CG 3.09Å; E1028-K1032 PolarHBondContact O-N 3.26Å; E1028-K1032 IonicContact OE1-NZ 2.69Å; E1028-K1032 PolarHBondContact OE1-NZ 3.36Å; L1029-K1032 PolarHBondContact O-N 3.12Å; K1032-R1036 WeakPolarHBondContact O-CB 3.46Å; K1032-R1036 PolarHBondContact O-N 3.48Å
1033A63.1Low62.3Low42 Ų4233.3 Ų33.335%0.34718%0.179SC..Hα-helixtrans-66.4-42.5176.400000112.4L1029 F1030 E1031 R1036 G1037L1029-A1033 PolarHBondContact O-N 3Å; F1030-A1033 PolarHBondContact O-N 2.96Å; E1031-A1033 VanDerWaalsContact C-N 3.33Å; E1031-A1033 PolarHBondContact O-N 3.46Å; A1033-R1036 WeakPolarHBondContact O-CB 3.42Å; A1033-R1036 PolarHBondContact O-N 3.34Å; A1033-G1037 PolarHBondContact O-N 3.29Å
1034A67Low62.9Low1 Ų134.9 Ų34.91%0.00818%0.184CC..Hα-helixtrans-66.9-42.8178.500000112.4A919 M922 N923 F1030 E1031 R1036 G1037 L1038A919-A1034 HydrophobicContact CB-CB 3.92Å; A919-A1034 WeakPolarHBondContact O-CB 3.34Å; M922-A1034 HydrophobicContact CB-CB 4.17Å; M922-A1034 HydrophobicContact CE-CB 3.9Å; N923-A1034 VanDerWaalsContact OD1-CA 3.31Å; N923-A1034 WeakPolarHBondContact OD1-CA 3.47Å; N923-A1034 WeakPolarHBondContact OD1-CB 3.43Å; F1030-A1034 WeakPolarHBondContact O-CB 3.48Å; F1030-A1034 PolarHBondContact O-N 3.47Å; E1031-A1034 PolarHBondContact O-N 2.77Å; A1034-R1036 VanDerWaalsContact C-N 3.34Å; A1034-R1036 PolarHBondContact O-N 3.22Å; A1034-G1037 PolarHBondContact O-N 3.45Å; A1034-L1038 PolarHBondContact O-N 3.07Å
1035W71Confident63.6Low15 Ų1534.8 Ų34.86%0.05718%0.183CC..Hα-helixtrans-59.1-45.1173.7-174.590.6000111.5M922 I965 M969 E1031 G1037 L1038 V1039 V1063 L1067 A1082M922-W1035 HydrophobicContact CE-CB 4.27Å; M922-W1035 HydrophobicContact SD-CB 4.22Å; I965-W1035 HydrophobicContact CG2-CZ2 3.71Å; I965-W1035 PolarHBondContact O-NE1 3.01Å; M969-W1035 HydrophobicContact CB-CZ2 4.44Å; M969-W1035 HydrophobicContact CG-CZ2 4.49Å; M969-W1035 HydrophobicContact SD-CD2 4.43Å; M969-W1035 HydrophobicContact SD-CE3 4.48Å; M969-W1035 HydrophobicContact SD-CH2 3.87Å; M969-W1035 HydrophobicContact SD-CZ2 3.75Å; M969-W1035 HydrophobicContact SD-CZ3 4.21Å; E1031-W1035 WeakPolarHBondContact O-CB 3.31Å; E1031-W1035 PolarHBondContact O-N 2.59Å; W1035-G1037 PolarHBondContact O-N 3.35Å; W1035-L1038 PolarHBondContact O-N 2.96Å; W1035-V1039 HydrophobicContact CD2-CG2 3.93Å; W1035-V1039 HydrophobicContact CE3-CG2 3.98Å; W1035-V1039 HydrophobicContact CH2-CG2 3.71Å; W1035-V1039 HydrophobicContact CZ2-CG2 3.7Å; W1035-V1039 HydrophobicContact CZ3-CG2 3.88Å; W1035-V1039 WeakPolarHBondContact O-CG2 3.4Å; W1035-V1039 PolarHBondContact O-N 2.88Å; W1035-V1063 HydrophobicContact CH2-CG1 4.47Å; W1035-L1067 HydrophobicContact CH2-CD1 3.8Å; W1035-L1067 HydrophobicContact CH2-CD2 3.52Å; W1035-L1067 HydrophobicContact CH2-CG 3.83Å; W1035-L1067 HydrophobicContact CZ2-CD2 4.46Å; W1035-L1067 HydrophobicContact CZ3-CD1 4.31Å; W1035-L1067 HydrophobicContact CZ3-CD2 3.8Å; W1035-L1067 HydrophobicContact CZ3-CG 4.48Å; W1035-A1082 HydrophobicContact CE3-CB 4.1Å; W1035-A1082 HydrophobicContact CZ3-CB 3.65Å
1036R67.4Low64.1Low80 Ų8032.9 Ų32.930%0.30217%0.169SC..Hα-helixtrans-57.5-46.7174.8175-177.4168.5-156.4-9.9111.9K1032 A1033 A1034 L1038 V1039 E1040 A1082K1032-R1036 WeakPolarHBondContact O-CB 3.46Å; K1032-R1036 PolarHBondContact O-N 3.48Å; A1033-R1036 WeakPolarHBondContact O-CB 3.42Å; A1033-R1036 PolarHBondContact O-N 3.34Å; A1034-R1036 VanDerWaalsContact C-N 3.34Å; A1034-R1036 PolarHBondContact O-N 3.22Å; R1036-L1038 VanDerWaalsContact C-N 3.33Å; R1036-L1038 PolarHBondContact O-N 3.05Å; R1036-V1039 PolarHBondContact O-N 3.2Å; R1036-E1040 HydrophobicContact CG-CG 4.48Å; R1036-E1040 IonicContact CZ-OE1 2.77Å; R1036-E1040 VanDerWaalsContact CZ-OE1 3.28Å; R1036-E1040 IonicContact NE-OE1 2.75Å; R1036-E1040 PolarHBondContact NE-OE1 3Å; R1036-E1040 IonicContact NH2-OE1 2.77Å; R1036-E1040 PolarHBondContact NH2-OE1 2.91Å; R1036-E1040 WeakPolarHBondContact O-CB 3.41Å; R1036-E1040 WeakPolarHBondContact O-CG 3.36Å; R1036-E1040 PolarHBondContact O-N 3.07Å; R1036-A1082 HydrophobicContact CB-CB 3.93Å; R1036-A1082 HydrophobicContact CG-CB 3.84Å
1037G68Low64.2Low23 Ų2328.9 Ų28.924%0.23716%0.157CC..Hα-helixtrans-60.4-41.1179.400000112.7A1033 A1034 W1035 E1040 A1041A1033-G1037 PolarHBondContact O-N 3.29Å; A1034-G1037 PolarHBondContact O-N 3.45Å; W1035-G1037 PolarHBondContact O-N 3.35Å; G1037-E1040 PolarHBondContact O-N 3.42Å; G1037-A1041 WeakPolarHBondContact O-CB 3.35Å; G1037-A1041 PolarHBondContact O-N 3Å
1038L73.4Confident64.4Low3 Ų330.9 Ų30.92%0.01617%0.174CC..Hα-helixtrans-65.2-42.9175.5-17762.5000112.3M922 A925 A926 L948 A1034 W1035 R1036 A1041 T1042M922-L1038 HydrophobicContact CB-CD2 4.37Å; M922-L1038 HydrophobicContact CG-CD2 4.22Å; A925-L1038 HydrophobicContact CB-CD1 3.77Å; A926-L1038 HydrophobicContact CB-CB 4.34Å; A926-L1038 HydrophobicContact CB-CD1 4.31Å; L948-L1038 HydrophobicContact CD2-CD2 4.48Å; A1034-L1038 PolarHBondContact O-N 3.07Å; W1035-L1038 PolarHBondContact O-N 2.96Å; R1036-L1038 VanDerWaalsContact C-N 3.33Å; R1036-L1038 PolarHBondContact O-N 3.05Å; L1038-A1041 PolarHBondContact O-N 3.2Å; L1038-T1042 HydrophobicContact CD1-CG2 4.29Å; L1038-T1042 WeakPolarHBondContact O-CB 3.31Å; L1038-T1042 VanDerWaalsContact O-CG2 3.23Å; L1038-T1042 WeakPolarHBondContact O-CG2 3.39Å; L1038-T1042 PolarHBondContact O-N 2.93Å; L1038-T1042 PolarHBondContact O-OG1 3.47Å
1039V68.4Low64.3Low4 Ų429.7 Ų29.72%0.02417%0.17CC..Hα-helixtrans-65.9-40.3177.3172.90000111.5I965 W1035 R1036 T1042 T1043 V1086I965-V1039 HydrophobicContact CG2-CG2 4.19Å; W1035-V1039 HydrophobicContact CD2-CG2 3.93Å; W1035-V1039 HydrophobicContact CE3-CG2 3.98Å; W1035-V1039 HydrophobicContact CH2-CG2 3.71Å; W1035-V1039 HydrophobicContact CZ2-CG2 3.7Å; W1035-V1039 HydrophobicContact CZ3-CG2 3.88Å; W1035-V1039 WeakPolarHBondContact O-CG2 3.4Å; W1035-V1039 PolarHBondContact O-N 2.88Å; R1036-V1039 PolarHBondContact O-N 3.2Å; V1039-T1042 WeakPolarHBondContact CA-OG1 3.39Å; V1039-T1042 PolarHBondContact O-OG1 3.38Å; V1039-T1043 WeakPolarHBondContact O-CB 3.5Å; V1039-T1043 PolarHBondContact O-N 3.06Å; V1039-T1043 PolarHBondContact O-OG1 3.45Å; V1039-V1086 HydrophobicContact CG1-CG2 3.32Å
1040E65.7Low64.1Low65 Ų6532.2 Ų32.230%0.30419%0.189SC..Hα-helixtrans-62-47173.7-79.9177.5-175.900111.8R1036 G1037 T1043 C1044 S1085R1036-E1040 HydrophobicContact CG-CG 4.48Å; R1036-E1040 IonicContact CZ-OE1 2.77Å; R1036-E1040 VanDerWaalsContact CZ-OE1 3.28Å; R1036-E1040 IonicContact NE-OE1 2.75Å; R1036-E1040 PolarHBondContact NE-OE1 3Å; R1036-E1040 IonicContact NH2-OE1 2.77Å; R1036-E1040 PolarHBondContact NH2-OE1 2.91Å; R1036-E1040 WeakPolarHBondContact O-CB 3.41Å; R1036-E1040 WeakPolarHBondContact O-CG 3.36Å; R1036-E1040 PolarHBondContact O-N 3.07Å; G1037-E1040 PolarHBondContact O-N 3.42Å; E1040-T1043 WeakPolarHBondContact O-CB 3.5Å; E1040-T1043 PolarHBondContact O-N 2.95Å; E1040-C1044 PolarHBondContact O-N 3.48Å; E1040-C1044 PolarHBondContact O-SG 3.29Å; E1040-C1044 VanDerWaalsContact O-SG 3.39Å; E1040-S1085 WeakPolarHBondContact CG-OG 3.35Å
1041A68.7Low63.8Low2 Ų230.7 Ų30.72%0.01719%0.186CC..Hα-helixtrans-64-45.3-18000000112.8A926 T929 L930 G1037 L1038 T1043 C1044 M1045A926-A1041 HydrophobicContact CB-CB 4.13Å; T929-A1041 VanDerWaalsContact OG1-CB 3.25Å; T929-A1041 WeakPolarHBondContact OG1-CB 3.46Å; L930-A1041 HydrophobicContact CD1-CB 4.32Å; L930-A1041 HydrophobicContact CD2-CB 4.1Å; L930-A1041 HydrophobicContact CG-CB 3.78Å; G1037-A1041 WeakPolarHBondContact O-CB 3.35Å; G1037-A1041 PolarHBondContact O-N 3Å; L1038-A1041 PolarHBondContact O-N 3.2Å; A1041-T1043 VanDerWaalsContact C-N 3.32Å; A1041-T1043 PolarHBondContact O-N 3.44Å; A1041-C1044 PolarHBondContact O-N 3.5Å; A1041-M1045 PolarHBondContact O-N 3.2Å; A1041-M1045 VanDerWaalsContact O-N 3.13Å
1042T67Low63.2Low3 Ų337.4 Ų37.42%0.01822%0.217CC..Hα-helixtrans-65.4-36.5176.552.60000111.9T929 L948 L1038 V1039 M1045 L1046T929-T1042 HydrophobicContact CG2-CG2 4.43Å; L948-T1042 HydrophobicContact CD1-CG2 3.64Å; L1038-T1042 HydrophobicContact CD1-CG2 4.29Å; L1038-T1042 WeakPolarHBondContact O-CB 3.31Å; L1038-T1042 VanDerWaalsContact O-CG2 3.23Å; L1038-T1042 WeakPolarHBondContact O-CG2 3.39Å; L1038-T1042 PolarHBondContact O-N 2.93Å; L1038-T1042 PolarHBondContact O-OG1 3.47Å; V1039-T1042 WeakPolarHBondContact CA-OG1 3.39Å; V1039-T1042 PolarHBondContact O-OG1 3.38Å; T1042-M1045 WeakPolarHBondContact O-CB 3.13Å; T1042-M1045 PolarHBondContact O-N 3.1Å; T1042-L1046 WeakPolarHBondContact O-CD1 3.35Å; T1042-L1046 WeakPolarHBondContact O-CG 3.48Å; T1042-L1046 PolarHBondContact O-N 3.35Å; T1042-L1046 VanDerWaalsContact O-N 3.16Å
1043T64.9Low62.8Low12 Ų1239.2 Ų39.27%0.07423%0.229CC..Hα-helixtrans-61.8-48.9172.8-71.70000111.8V1039 E1040 A1041 M1045 L1046 V1047 L1089V1039-T1043 WeakPolarHBondContact O-CB 3.5Å; V1039-T1043 PolarHBondContact O-N 3.06Å; V1039-T1043 PolarHBondContact O-OG1 3.45Å; E1040-T1043 WeakPolarHBondContact O-CB 3.5Å; E1040-T1043 PolarHBondContact O-N 2.95Å; A1041-T1043 VanDerWaalsContact C-N 3.32Å; A1041-T1043 PolarHBondContact O-N 3.44Å; T1043-M1045 VanDerWaalsContact C-N 3.3Å; T1043-M1045 PolarHBondContact O-N 3.3Å; T1043-L1046 WeakPolarHBondContact O-CB 3.47Å; T1043-L1046 PolarHBondContact O-N 3.47Å; T1043-L1046 VanDerWaalsContact O-N 3.14Å; T1043-V1047 WeakPolarHBondContact O-CG2 3.43Å; T1043-V1047 PolarHBondContact O-N 3.22Å; T1043-L1089 HydrophobicContact CG2-CD1 3.87Å; T1043-L1089 HydrophobicContact CG2-CD2 3.56Å; T1043-L1089 HydrophobicContact CG2-CG 3.41Å; T1043-L1089 VanDerWaalsContact CG2-CG 3.41Å
1044C64.5Low62.4Low59 Ų5940.8 Ų40.840%0.39923%0.234SC..Hα-helixtrans-57.6-43176.7-73.50000112.2F933 E1040 A1041 L1046 V1047 A1048F933-C1044 WeakPolarHBondContact CE2-O 3.47Å; E1040-C1044 PolarHBondContact O-N 3.48Å; E1040-C1044 PolarHBondContact O-SG 3.29Å; E1040-C1044 VanDerWaalsContact O-SG 3.39Å; A1041-C1044 PolarHBondContact O-N 3.5Å; C1044-L1046 VanDerWaalsContact C-N 3.33Å; C1044-L1046 PolarHBondContact O-N 3.22Å; C1044-V1047 PolarHBondContact O-N 3.3Å; C1044-A1048 PolarHBondContact O-N 3.48Å
1045M64.6Low61.9Low1 Ų148.2 Ų48.21%0.00527%0.266CS..Hα-helixtrans-56.7-44.6174.8-81.4-64.9-30.100112.9F933 F938 T941 F945 A1041 T1042 T1043 V1047 A1048 T1049F933-M1045 WeakPolarHBondContact CA-SD 3.47Å; F933-M1045 HydrophobicContact CB-CG 4.38Å; F933-M1045 HydrophobicContact CB-SD 3.35Å; F933-M1045 WeakPolarHBondContact CB-SD 3.38Å; F933-M1045 HydrophobicContact CD2-CE 4.49Å; F933-M1045 HydrophobicContact CD2-SD 3.79Å; F933-M1045 HydrophobicContact CG-SD 4.07Å; F933-M1045 PolarHBondContact N-SD 3.24Å; F938-M1045 HydrophobicContact CD1-CE 3.48Å; F938-M1045 VanDerWaalsContact CD1-CE 3.48Å; F938-M1045 HydrophobicContact CE1-CE 3.69Å; T941-M1045 HydrophobicContact CG2-CE 3.68Å; T941-M1045 HydrophobicContact CG2-SD 4.28Å; F945-M1045 HydrophobicContact CE2-CB 4.12Å; F945-M1045 HydrophobicContact CZ-CB 3.74Å; A1041-M1045 PolarHBondContact O-N 3.2Å; A1041-M1045 VanDerWaalsContact O-N 3.13Å; T1042-M1045 WeakPolarHBondContact O-CB 3.13Å; T1042-M1045 PolarHBondContact O-N 3.1Å; T1043-M1045 VanDerWaalsContact C-N 3.3Å; T1043-M1045 PolarHBondContact O-N 3.3Å; M1045-V1047 VanDerWaalsContact C-N 3.32Å; M1045-V1047 PolarHBondContact O-N 2.89Å; M1045-A1048 PolarHBondContact O-N 2.77Å; M1045-T1049 PolarHBondContact O-N 2.89Å
1046L61Low61.3Low11 Ų1151.2 Ų51.26%0.05828%0.277CS..Hα-helixtrans-65.1-35.2-179.4-74.7156.8000112.8F945 T1042 T1043 C1044 T1049 R1056 L1060 L1089F945-L1046 HydrophobicContact CD1-CD2 4.14Å; F945-L1046 HydrophobicContact CD1-CG 4.5Å; F945-L1046 HydrophobicContact CE1-CD1 3.78Å; F945-L1046 HydrophobicContact CE1-CD2 3.49Å; F945-L1046 VanDerWaalsContact CE1-CD2 3.49Å; F945-L1046 HydrophobicContact CE1-CG 3.44Å; F945-L1046 VanDerWaalsContact CE1-CG 3.44Å; F945-L1046 HydrophobicContact CZ-CD1 4.37Å; F945-L1046 HydrophobicContact CZ-CD2 3.85Å; F945-L1046 HydrophobicContact CZ-CG 3.64Å; T1042-L1046 WeakPolarHBondContact O-CD1 3.35Å; T1042-L1046 WeakPolarHBondContact O-CG 3.48Å; T1042-L1046 PolarHBondContact O-N 3.35Å; T1042-L1046 VanDerWaalsContact O-N 3.16Å; T1043-L1046 WeakPolarHBondContact O-CB 3.47Å; T1043-L1046 PolarHBondContact O-N 3.47Å; T1043-L1046 VanDerWaalsContact O-N 3.14Å; C1044-L1046 VanDerWaalsContact C-N 3.33Å; C1044-L1046 PolarHBondContact O-N 3.22Å; L1046-T1049 PolarHBondContact O-OG1 3.28Å; L1046-R1056 HydrophobicContact CD2-CB 4.29Å; L1046-L1060 HydrophobicContact CD1-CD1 3.53Å; L1046-L1060 HydrophobicContact CD1-CD2 3.34Å; L1046-L1060 HydrophobicContact CD1-CG 3.85Å; L1046-L1060 HydrophobicContact CD2-CD1 4.36Å; L1046-L1060 HydrophobicContact CG-CD1 4.36Å; L1046-L1089 HydrophobicContact CB-CD2 4.26Å
1047V59.3Low60.7Low69 Ų6949 Ų4942%0.41827%0.271SS..Hα-helixtrans-66.3-35.5178.9172.50000112.5T1043 C1044 M1045 L1089 A1092T1043-V1047 WeakPolarHBondContact O-CG2 3.43Å; T1043-V1047 PolarHBondContact O-N 3.22Å; C1044-V1047 PolarHBondContact O-N 3.3Å; M1045-V1047 VanDerWaalsContact C-N 3.32Å; M1045-V1047 PolarHBondContact O-N 2.89Å; V1047-L1089 HydrophobicContact CG2-CD2 3.67Å; V1047-A1092 HydrophobicContact CB-CB 4.01Å; V1047-A1092 HydrophobicContact CG1-CB 3.53Å; V1047-A1092 HydrophobicContact CG2-CB 3.46Å; V1047-A1092 VanDerWaalsContact CG2-CB 3.46Å
1048A58.9Low60.3Low47 Ų4752.1 Ų52.139%0.38828%0.279SS..Hα-helixtrans-83.7-19.6-179.900000114.2F933 F938 C1044 M1045F933-A1048 HydrophobicContact CD2-CB 3.99Å; F933-A1048 HydrophobicContact CE2-CB 3.23Å; F933-A1048 HydrophobicContact CZ-CB 3.96Å; F938-A1048 HydrophobicContact CE1-CB 4.14Å; F938-A1048 HydrophobicContact CZ-CB 4.32Å; C1044-A1048 PolarHBondContact O-N 3.48Å; M1045-A1048 PolarHBondContact O-N 2.77Å
1049T55.9Low59.6Low14 Ų1453.3 Ų53.39%0.08629%0.288CS..SBendtrans-78132.4174.956.80000110.8F938 M1045 L1046 V1051F938-T1049 HydrophobicContact CD1-CG2 3.59Å; F938-T1049 HydrophobicContact CE1-CG2 4.14Å; F938-T1049 HydrophobicContact CG-CG2 4.36Å; M1045-T1049 PolarHBondContact O-N 2.89Å; L1046-T1049 PolarHBondContact O-OG1 3.28Å; T1049-V1051 VanDerWaalsContact O-CG2 3.29Å; T1049-V1051 WeakPolarHBondContact O-CG2 3.46Å; T1049-V1051 PolarHBondContact O-N 3.46Å
1050P53.3Low59.2Low110 Ų11054.5 Ų54.571%0.71429%0.294SS*.  trans-61.2109.2175.623.6-31.4000109.9H1052P1050-H1052 PolarHBondContact O-N 3.44Å
1051V50.6Low58.8Low44 Ų4452.3 Ų52.327%0.26728%0.284SS..  trans-78.193.5-167.5-169.30000110.6T1049 I1057 V1096T1049-V1051 VanDerWaalsContact O-CG2 3.29Å; T1049-V1051 WeakPolarHBondContact O-CG2 3.46Å; T1049-V1051 PolarHBondContact O-N 3.46Å; V1051-I1057 HydrophobicContact CG1-CD1 3.86Å; V1051-I1057 HydrophobicContact CG1-CG1 3.99Å; V1051-V1096 HydrophobicContact CB-CG1 4.06Å; V1051-V1096 HydrophobicContact CB-CG2 4.46Å; V1051-V1096 HydrophobicContact CG2-CG2 4.02Å
1052H50.2Low58.4Low146 Ų14653.6 Ų53.668%0.67630%0.295SS*.  trans-109.9-1.8169.9-67.7-65.2000113.9P1050P1050-H1052 PolarHBondContact O-N 3.44Å
1053D56.5Low58.1Low73 Ų7353.7 Ų53.739%0.3930%0.295SS..  trans-108.599.9-169.9-154.3-8.5000112.7K1055 R1056D1053-K1055 PolarHBondContact O-N 3.23Å; D1053-R1056 HydrophobicContact CB-CG 4.22Å; D1053-R1056 PolarHBondContact O-N 3.01Å; D1053-R1056 IonicContact OD2-NE 3.21Å
1054V54.7Low57.8Low74 Ų7453.5 Ų53.545%0.44829%0.294SS..Hα-helixtrans-53.6-27.1-179.2177.90000112.8I1057 H1058V1054-I1057 PolarHBondContact O-N 3.45Å; V1054-H1058 PolarHBondContact O-N 3.01Å; V1054-H1058 PolarHBondContact O-ND1 3.05Å
1055K56.2Low57.6Low158 Ų15854.9 Ų54.969%0.68730%0.295SS*.Hα-helixtrans-65.9-40.2177.6-68179.9179.7176.20112.6D1053 I1057 H1058 C1059D1053-K1055 PolarHBondContact O-N 3.23Å; K1055-I1057 VanDerWaalsContact C-N 3.31Å; K1055-I1057 PolarHBondContact O-N 3.39Å; K1055-H1058 PolarHBondContact O-N 3.3Å; K1055-C1059 PolarHBondContact O-N 3Å; K1055-C1059 VanDerWaalsContact O-N 3.14Å; K1055-C1059 PolarHBondContact O-SG 3.32Å
1056R57.9Low57.4Low77 Ų7756.4 Ų56.429%0.29131%0.305SS..Hα-helixtrans-67.5-35.1180-63.4-176.8-175.5-169.6-2.9111.4L1046 D1053 C1059 L1060L1046-R1056 HydrophobicContact CD2-CB 4.29Å; D1053-R1056 HydrophobicContact CB-CG 4.22Å; D1053-R1056 PolarHBondContact O-N 3.01Å; D1053-R1056 IonicContact OD2-NE 3.21Å; R1056-C1059 PolarHBondContact O-N 3.4Å; R1056-L1060 WeakPolarHBondContact O-CG 3.38Å; R1056-L1060 PolarHBondContact O-N 3.45Å
1057I56.1Low57.2Low35 Ų3556.4 Ų56.418%0.17931%0.305CS..Hα-helixtrans-67.9-44.7176.8-59.9170.5000111.1V1051 V1054 K1055 C1059 L1060 L1061 Y1093 V1118V1051-I1057 HydrophobicContact CG1-CD1 3.86Å; V1051-I1057 HydrophobicContact CG1-CG1 3.99Å; V1054-I1057 PolarHBondContact O-N 3.45Å; K1055-I1057 VanDerWaalsContact C-N 3.31Å; K1055-I1057 PolarHBondContact O-N 3.39Å; I1057-C1059 VanDerWaalsContact C-N 3.27Å; I1057-C1059 PolarHBondContact O-N 3.15Å; I1057-L1060 PolarHBondContact O-N 3.09Å; I1057-L1061 HydrophobicContact CG2-CD1 4.28Å; I1057-L1061 WeakPolarHBondContact O-CG 3.5Å; I1057-L1061 PolarHBondContact O-N 3.13Å; I1057-Y1093 HydrophobicContact CD1-CE2 4.11Å; I1057-V1118 HydrophobicContact CG2-CG2 4.22Å
1058H58.4Low57.2Low87 Ų8753.6 Ų53.640%0.40329%0.287SS..Hα-helixtrans-60.3-37.7175.1-83.478.1000112.4V1054 K1055 L1061 A1062V1054-H1058 PolarHBondContact O-N 3.01Å; V1054-H1058 PolarHBondContact O-ND1 3.05Å; K1055-H1058 PolarHBondContact O-N 3.3Å; H1058-L1061 PolarHBondContact O-N 3.4Å; H1058-A1062 PolarHBondContact O-N 3.17Å
1059C58.6Low57.1Low29 Ų2956.1 Ų56.120%0.19629%0.294CS..Hα-helixtrans-67-37.7178.6-66.30000112.7F949 K1055 R1056 I1057 A1062 V1063F949-C1059 HydrophobicContact CB-CB 3.94Å; F949-C1059 HydrophobicContact CD1-CB 3.54Å; F949-C1059 HydrophobicContact CE1-CB 4.28Å; F949-C1059 HydrophobicContact CG-CB 3.98Å; K1055-C1059 PolarHBondContact O-N 3Å; K1055-C1059 VanDerWaalsContact O-N 3.14Å; K1055-C1059 PolarHBondContact O-SG 3.32Å; R1056-C1059 PolarHBondContact O-N 3.4Å; I1057-C1059 VanDerWaalsContact C-N 3.27Å; I1057-C1059 PolarHBondContact O-N 3.15Å; C1059-A1062 PolarHBondContact O-N 3.16Å; C1059-V1063 WeakPolarHBondContact O-CG2 3.47Å; C1059-V1063 PolarHBondContact O-N 2.99Å; C1059-V1063 VanDerWaalsContact O-N 3.08Å
1060L60Low57.1Low28 Ų2859.6 Ų59.615%0.14731%0.309CS..Hα-helixtrans-69.8-36.4175.6-66.5160.7000112.1F949 L1046 R1056 I1057 A1062 V1063 A1064 L1089F949-L1060 HydrophobicContact CE1-CD2 4.35Å; F949-L1060 HydrophobicContact CZ-CD2 4.24Å; L1046-L1060 HydrophobicContact CD1-CD1 3.53Å; L1046-L1060 HydrophobicContact CD1-CD2 3.34Å; L1046-L1060 HydrophobicContact CD1-CG 3.85Å; L1046-L1060 HydrophobicContact CD2-CD1 4.36Å; L1046-L1060 HydrophobicContact CG-CD1 4.36Å; R1056-L1060 WeakPolarHBondContact O-CG 3.38Å; R1056-L1060 PolarHBondContact O-N 3.45Å; I1057-L1060 PolarHBondContact O-N 3.09Å; L1060-A1062 VanDerWaalsContact C-N 3.34Å; L1060-V1063 PolarHBondContact O-N 2.97Å; L1060-A1064 PolarHBondContact O-N 3.46Å; L1060-L1089 HydrophobicContact CB-CD1 4.47Å; L1060-L1089 HydrophobicContact CD1-CD1 4.07Å; L1060-L1089 HydrophobicContact CD2-CD1 3.72Å; L1060-L1089 HydrophobicContact CG-CD1 4.27Å
1061L58.6Low56.9Low20 Ų2061 Ų6111%0.10531%0.31CS..Hα-helixtrans-64.9-38.6172.1-71.9170.8000111.6I1057 H1058 A1064 E1065 V1118I1057-L1061 HydrophobicContact CG2-CD1 4.28Å; I1057-L1061 WeakPolarHBondContact O-CG 3.5Å; I1057-L1061 PolarHBondContact O-N 3.13Å; H1058-L1061 PolarHBondContact O-N 3.4Å; L1061-A1064 PolarHBondContact O-N 2.89Å; L1061-E1065 VanDerWaalsContact O-CB 3.28Å; L1061-E1065 WeakPolarHBondContact O-CB 3.26Å; L1061-E1065 PolarHBondContact O-N 3.3Å; L1061-V1118 HydrophobicContact CD1-CB 4.27Å; L1061-V1118 HydrophobicContact CD1-CG1 4.24Å; L1061-V1118 HydrophobicContact CD1-CG2 3.79Å
1062A59.5Low57Low29 Ų2960.4 Ų60.424%0.2431%0.306CS..Hα-helixtrans-64.6-37.8174.100000112.5H1058 C1059 L1060 E1065 T1066H1058-A1062 PolarHBondContact O-N 3.17Å; C1059-A1062 PolarHBondContact O-N 3.16Å; L1060-A1062 VanDerWaalsContact C-N 3.34Å; A1062-E1065 PolarHBondContact O-N 2.99Å; A1062-T1066 WeakPolarHBondContact O-CB 3.18Å; A1062-T1066 VanDerWaalsContact O-CG2 3.28Å; A1062-T1066 WeakPolarHBondContact O-CG2 3.45Å; A1062-T1066 PolarHBondContact O-N 3.35Å; A1062-T1066 PolarHBondContact O-OG1 3.4Å
1063V60.4Low56.8Low5 Ų558.9 Ų58.93%0.0330%0.303CS..Hα-helixtrans-66.3-40.8172.5175.10000111.2F949 I965 W1035 C1059 L1060 T1066 L1067 V1086F949-V1063 HydrophobicContact CE1-CG2 4.02Å; I965-V1063 HydrophobicContact CG2-CG1 4.35Å; I965-V1063 HydrophobicContact CG2-CG2 4.2Å; W1035-V1063 HydrophobicContact CH2-CG1 4.47Å; C1059-V1063 WeakPolarHBondContact O-CG2 3.47Å; C1059-V1063 PolarHBondContact O-N 2.99Å; C1059-V1063 VanDerWaalsContact O-N 3.08Å; L1060-V1063 PolarHBondContact O-N 2.97Å; V1063-T1066 WeakPolarHBondContact CA-OG1 3.46Å; V1063-T1066 PolarHBondContact O-OG1 3.29Å; V1063-L1067 HydrophobicContact CG1-CD1 4.37Å; V1063-L1067 WeakPolarHBondContact O-CG 3.25Å; V1063-L1067 PolarHBondContact O-N 2.99Å; V1063-L1067 VanDerWaalsContact O-N 3.15Å; V1063-V1086 HydrophobicContact CG1-CG2 4.27Å
1064A59.4Low56.4Low7 Ų761.1 Ų61.16%0.05832%0.319CS..Hα-helixtrans-64-43.3175.200000111.8L1060 L1061 L1067 L1068 V1086L1060-A1064 PolarHBondContact O-N 3.46Å; L1061-A1064 PolarHBondContact O-N 2.89Å; A1064-L1067 PolarHBondContact O-N 3.49Å; A1064-L1068 WeakPolarHBondContact O-CB 3.26Å; A1064-L1068 VanDerWaalsContact O-CD1 3.3Å; A1064-L1068 WeakPolarHBondContact O-CD1 3.39Å; A1064-L1068 WeakPolarHBondContact O-CG 3.37Å; A1064-L1068 PolarHBondContact O-N 2.78Å; A1064-V1086 HydrophobicContact CB-CG1 3.9Å
1065E59Low56.1Low89 Ų8959.4 Ų59.442%0.41631%0.309SS..Hα-helixtrans-66.2-42.4179.6-172.3178.5-179.600111.9L1061 A1062 L1067 L1068 N1069L1061-E1065 VanDerWaalsContact O-CB 3.28Å; L1061-E1065 WeakPolarHBondContact O-CB 3.26Å; L1061-E1065 PolarHBondContact O-N 3.3Å; A1062-E1065 PolarHBondContact O-N 2.99Å; E1065-L1067 PolarHBondContact O-N 3.04Å; E1065-L1068 PolarHBondContact O-N 3.29Å; E1065-N1069 WeakPolarHBondContact O-CB 3.39Å; E1065-N1069 PolarHBondContact O-N 3.4Å; E1065-N1069 PolarHBondContact O-ND2 3.09Å
1066T60Low56Low33 Ų3356.9 Ų56.920%0.20230%0.301CS..Hα-helixtrans-61.9-43.7175.447.60000111.8A1062 V1063 L1068 N1069 H1070A1062-T1066 WeakPolarHBondContact O-CB 3.18Å; A1062-T1066 VanDerWaalsContact O-CG2 3.28Å; A1062-T1066 WeakPolarHBondContact O-CG2 3.45Å; A1062-T1066 PolarHBondContact O-N 3.35Å; A1062-T1066 PolarHBondContact O-OG1 3.4Å; V1063-T1066 WeakPolarHBondContact CA-OG1 3.46Å; V1063-T1066 PolarHBondContact O-OG1 3.29Å; T1066-L1068 PolarHBondContact O-N 3.07Å; T1066-N1069 PolarHBondContact O-N 3.3Å; T1066-H1070 PolarHBondContact O-ND1 3.49Å
1067L58.8Low55.9Low11 Ų1155.8 Ų55.86%0.05831%0.306CS..Hα-helixtrans-64-38.3174.8-76.3169.3000113.1M969 W1035 V1063 A1064 E1065 L1083 V1086M969-L1067 HydrophobicContact CE-CD2 3.93Å; M969-L1067 HydrophobicContact CE-CG 4.47Å; M969-L1067 HydrophobicContact SD-CD2 3.51Å; M969-L1067 VanDerWaalsContact SD-CD2 3.51Å; W1035-L1067 HydrophobicContact CH2-CD1 3.8Å; W1035-L1067 HydrophobicContact CH2-CD2 3.52Å; W1035-L1067 HydrophobicContact CH2-CG 3.83Å; W1035-L1067 HydrophobicContact CZ2-CD2 4.46Å; W1035-L1067 HydrophobicContact CZ3-CD1 4.31Å; W1035-L1067 HydrophobicContact CZ3-CD2 3.8Å; W1035-L1067 HydrophobicContact CZ3-CG 4.48Å; V1063-L1067 HydrophobicContact CG1-CD1 4.37Å; V1063-L1067 WeakPolarHBondContact O-CG 3.25Å; V1063-L1067 PolarHBondContact O-N 2.99Å; V1063-L1067 VanDerWaalsContact O-N 3.15Å; A1064-L1067 PolarHBondContact O-N 3.49Å; E1065-L1067 PolarHBondContact O-N 3.04Å; L1067-L1083 HydrophobicContact CB-CD1 4.43Å; L1067-L1083 HydrophobicContact CB-CD2 3.29Å; L1067-L1083 HydrophobicContact CB-CG 3.72Å; L1067-L1083 HydrophobicContact CD1-CD2 3.82Å; L1067-L1083 HydrophobicContact CD1-CG 3.95Å; L1067-L1083 HydrophobicContact CD2-CG 4.35Å; L1067-L1083 HydrophobicContact CG-CD2 4.17Å; L1067-L1083 HydrophobicContact CG-CG 4.28Å; L1067-V1086 HydrophobicContact CD1-CG2 4.01Å
1068L57.5Low55.7Low10 Ų1056.6 Ų56.65%0.05231%0.309CS..Hα-helixtrans-73.3-29.7179.5-74.4161.8000112.6A1064 E1065 T1066 L1083 S1125 K1128 I1129A1064-L1068 WeakPolarHBondContact O-CB 3.26Å; A1064-L1068 VanDerWaalsContact O-CD1 3.3Å; A1064-L1068 WeakPolarHBondContact O-CD1 3.39Å; A1064-L1068 WeakPolarHBondContact O-CG 3.37Å; A1064-L1068 PolarHBondContact O-N 2.78Å; E1065-L1068 PolarHBondContact O-N 3.29Å; T1066-L1068 PolarHBondContact O-N 3.07Å; L1068-L1083 HydrophobicContact CD2-CD2 4.2Å; L1068-L1083 HydrophobicContact CG-CD2 4.04Å; L1068-S1125 VanDerWaalsContact CD1-CB 3.41Å; L1068-S1125 VanDerWaalsContact CD1-OG 3.22Å; L1068-S1125 WeakPolarHBondContact CD1-OG 3.25Å; L1068-K1128 HydrophobicContact CB-CD 4.42Å; L1068-K1128 HydrophobicContact CD2-CB 4.29Å; L1068-K1128 HydrophobicContact CD2-CD 4.37Å; L1068-K1128 VanDerWaalsContact O-CE 3.25Å; L1068-K1128 WeakPolarHBondContact O-CE 3.45Å; L1068-K1128 PolarHBondContact O-NZ 3.06Å; L1068-I1129 HydrophobicContact CD2-CG1 4.15Å
1069N57.1Low55.4Low99 Ų9953.7 Ų53.753%0.52930%0.298SS..Hα-helixtrans-77.2-17-177.8-77.1-20000114E1065 T1066E1065-N1069 WeakPolarHBondContact O-CB 3.39Å; E1065-N1069 PolarHBondContact O-N 3.4Å; E1065-N1069 PolarHBondContact O-ND2 3.09Å; T1066-N1069 PolarHBondContact O-N 3.3Å
1070H56.7Low55.1Low88 Ų8853.1 Ų53.141%0.40730%0.296SS..SBendtrans-86.7138.7176.5-70.268.3000110.8L973 T1066 L1072L973-H1070 HydrophobicContact CD1-CB 4.4Å; T1066-H1070 PolarHBondContact O-ND1 3.49Å; H1070-L1072 PolarHBondContact O-N 2.92Å
1071N49.2Very low54.8Low138 Ų13852.5 Ų52.574%0.73829%0.294SS*.  trans-58106.5-178-87.5-1.7000111D1073N1071-D1073 PolarHBondContact O-N 3.35Å
1072L51.9Low54.6Low32 Ų3251.6 Ų51.617%0.16829%0.29CS..G310 helixtrans-74.6-10.9-179-80.8151000113.4H1070 V1074 C1075 L1083 L1132H1070-L1072 PolarHBondContact O-N 2.92Å; L1072-V1074 PolarHBondContact O-N 3.14Å; L1072-C1075 PolarHBondContact O-N 3.01Å; L1072-L1083 HydrophobicContact CD1-CD1 3.64Å; L1072-L1083 HydrophobicContact CD2-CD1 3.36Å; L1072-L1083 HydrophobicContact CG-CD1 4.11Å; L1072-L1132 HydrophobicContact CB-CD1 4.16Å; L1072-L1132 HydrophobicContact CB-CD2 3.86Å; L1072-L1132 HydrophobicContact CD1-CD1 3.46Å; L1072-L1132 VanDerWaalsContact CD1-CD1 3.46Å; L1072-L1132 HydrophobicContact CG-CD1 4.32Å
1073D45.7Very low54.4Low114 Ų11451.1 Ų51.161%0.6128%0.283SS*.G310 helixtrans-59.2-18.8-173.9-60.40.1000114.9N1071N1071-D1073 PolarHBondContact O-N 3.35Å
1074V48.5Very low54.1Low120 Ų12051.4 Ų51.473%0.72729%0.285SS*.G310 helixtrans-112.8-10.1-172.2-173.20000113.1L1072L1072-V1074 PolarHBondContact O-N 3.14Å
1075C48.9Very low53.9Low38 Ų3851.7 Ų51.726%0.25729%0.287SS..  trans-101.6119.8-166.6-72.60000114.7L1072 S1079L1072-C1075 PolarHBondContact O-N 3.01Å; C1075-S1079 WeakPolarHBondContact CB-OG 3.48Å
1076M53.5Low53.7Low105 Ų10547.7 Ų47.752%0.51727%0.268SS..  trans-38.5160167.6-65.4-84.4-7800115F999 E1078 S1079F999-M1076 HydrophobicContact CE1-CE 3.86Å; F999-M1076 HydrophobicContact CZ-CE 3.86Å; M1076-E1078 PolarHBondContact O-N 3.39Å; M1076-S1079 PolarHBondContact O-N 3.39Å; M1076-S1079 PolarHBondContact O-OG 2.97Å
1077S55.5Low53.5Low55 Ų5546.5 Ų46.539%0.38526%0.262SS..Hα-helixtrans-43.1-19.1-173.9520000118.5A1081S1077-A1081 WeakPolarHBondContact O-CB 3.33Å; S1077-A1081 PolarHBondContact O-N 3.42Å
1078E52.2Low53.3Low52 Ų5247.6 Ų47.624%0.24328%0.276CS..Hα-helixtrans-86.1-37.2-171.6-62.1-176165.600113.7M1076 A1081 A1082M1076-E1078 PolarHBondContact O-N 3.39Å; E1078-A1081 WeakPolarHBondContact O-CB 3.5Å; E1078-A1081 PolarHBondContact O-N 3.24Å; E1078-A1082 PolarHBondContact O-N 3Å
1079S52.3Low53.1Low25 Ų2548 Ų4818%0.17528%0.278CS..Hα-helixtrans-70.9-39.4174.461.10000111.2C1075 M1076 A1081 A1082 L1083C1075-S1079 WeakPolarHBondContact CB-OG 3.48Å; M1076-S1079 PolarHBondContact O-N 3.39Å; M1076-S1079 PolarHBondContact O-OG 2.97Å; S1079-A1081 PolarHBondContact O-N 3.15Å; S1079-A1082 PolarHBondContact O-N 2.91Å; S1079-A1082 VanDerWaalsContact O-N 3.13Å; S1079-L1083 PolarHBondContact O-N 3.09Å
1080A52Low53.1Low18 Ų1845.7 Ų45.715%0.14926%0.263CS..Hα-helixtrans-57.4-38.9169.900000110.5V1084A1080-V1084 WeakPolarHBondContact O-CB 3.37Å; A1080-V1084 WeakPolarHBondContact O-CG2 3.22Å; A1080-V1084 PolarHBondContact O-N 3.48Å; A1080-V1084 VanDerWaalsContact O-N 3.07Å
1081A54.2Low52.8Low14 Ų1443.5 Ų43.512%0.11626%0.257CS..Hα-helixtrans-70.3-27.817700000114.1S1077 E1078 S1079 V1084 S1085S1077-A1081 WeakPolarHBondContact O-CB 3.33Å; S1077-A1081 PolarHBondContact O-N 3.42Å; E1078-A1081 WeakPolarHBondContact O-CB 3.5Å; E1078-A1081 PolarHBondContact O-N 3.24Å; S1079-A1081 PolarHBondContact O-N 3.15Å; A1081-V1084 WeakPolarHBondContact O-CB 3.4Å; A1081-V1084 WeakPolarHBondContact O-CG1 3.07Å; A1081-S1085 PolarHBondContact O-N 3.44Å
1082A53.9Low53Low2 Ų237.9 Ų37.92%0.01723%0.229CC..Hα-helixtrans-79.9-40175.700000112.8W1035 R1036 E1078 S1079 V1084 S1085 V1086W1035-A1082 HydrophobicContact CE3-CB 4.1Å; W1035-A1082 HydrophobicContact CZ3-CB 3.65Å; R1036-A1082 HydrophobicContact CB-CB 3.93Å; R1036-A1082 HydrophobicContact CG-CB 3.84Å; E1078-A1082 PolarHBondContact O-N 3Å; S1079-A1082 PolarHBondContact O-N 2.91Å; S1079-A1082 VanDerWaalsContact O-N 3.13Å; A1082-V1084 PolarHBondContact O-N 3.49Å; A1082-S1085 WeakPolarHBondContact CA-OG 3.39Å; A1082-S1085 PolarHBondContact O-N 2.99Å; A1082-S1085 VanDerWaalsContact O-N 3.1Å; A1082-S1085 PolarHBondContact O-OG 3.41Å; A1082-V1086 WeakPolarHBondContact O-CG2 3.33Å; A1082-V1086 PolarHBondContact O-N 2.86Å
1083L54.6Low53.1Low18 Ų1839 Ų399%0.09423%0.232CC..Hα-helixtrans-54.5-42.1166.4-94.3166.5000111.8L1067 L1068 L1072 S1079 A1087L1067-L1083 HydrophobicContact CB-CD1 4.43Å; L1067-L1083 HydrophobicContact CB-CD2 3.29Å; L1067-L1083 HydrophobicContact CB-CG 3.72Å; L1067-L1083 HydrophobicContact CD1-CD2 3.82Å; L1067-L1083 HydrophobicContact CD1-CG 3.95Å; L1067-L1083 HydrophobicContact CD2-CG 4.35Å; L1067-L1083 HydrophobicContact CG-CD2 4.17Å; L1067-L1083 HydrophobicContact CG-CG 4.28Å; L1068-L1083 HydrophobicContact CD2-CD2 4.2Å; L1068-L1083 HydrophobicContact CG-CD2 4.04Å; L1072-L1083 HydrophobicContact CD1-CD1 3.64Å; L1072-L1083 HydrophobicContact CD2-CD1 3.36Å; L1072-L1083 HydrophobicContact CG-CD1 4.11Å; S1079-L1083 PolarHBondContact O-N 3.09Å; L1083-A1087 WeakPolarHBondContact O-CB 3.5Å; L1083-A1087 PolarHBondContact O-N 2.98Å
1084V54.5Low53.3Low11 Ų1137.8 Ų37.87%0.06722%0.219CC..Hα-helixtrans-56.5-56.7170.5135.80000109.9A1080 A1081 A1082 V1086 A1087 G1088 S1145 I1146 R1149A1080-V1084 WeakPolarHBondContact O-CB 3.37Å; A1080-V1084 WeakPolarHBondContact O-CG2 3.22Å; A1080-V1084 PolarHBondContact O-N 3.48Å; A1080-V1084 VanDerWaalsContact O-N 3.07Å; A1081-V1084 WeakPolarHBondContact O-CB 3.4Å; A1081-V1084 WeakPolarHBondContact O-CG1 3.07Å; A1082-V1084 PolarHBondContact O-N 3.49Å; V1084-V1086 VanDerWaalsContact C-N 3.32Å; V1084-V1086 PolarHBondContact O-N 2.95Å; V1084-A1087 CarbonylContact O-C 3.54Å; V1084-A1087 PolarHBondContact O-N 3.39Å; V1084-A1087 VanDerWaalsContact O-N 3.09Å; V1084-G1088 PolarHBondContact O-N 2.58Å; V1084-S1145 VanDerWaalsContact CG1-OG 3.3Å; V1084-S1145 WeakPolarHBondContact CG1-OG 3.45Å; V1084-I1146 HydrophobicContact CG2-CG1 4.06Å; V1084-R1149 VanDerWaalsContact C-NE 3.25Å; V1084-R1149 VanDerWaalsContact CA-NE 3.27Å; V1084-R1149 PolarHBondContact O-NE 2.86Å; V1084-R1149 PolarHBondContact O-NH2 3.29Å
1085S55.5Low53.3Low14 Ų1438.4 Ų38.410%0.09821%0.212CC..Hα-helixtrans-59.8-40.6-177.4600000113.2E1040 A1081 A1082 A1087 G1088E1040-S1085 WeakPolarHBondContact CG-OG 3.35Å; A1081-S1085 PolarHBondContact O-N 3.44Å; A1082-S1085 WeakPolarHBondContact CA-OG 3.39Å; A1082-S1085 PolarHBondContact O-N 2.99Å; A1082-S1085 VanDerWaalsContact O-N 3.1Å; A1082-S1085 PolarHBondContact O-OG 3.41Å; S1085-A1087 PolarHBondContact O-N 2.89Å; S1085-G1088 WeakPolarHBondContact O-CA 3.43Å; S1085-G1088 PolarHBondContact O-N 3.14Å
1086V55.9Low53.3Low4 Ų439.1 Ų39.12%0.02422%0.215CC..Hα-helixtrans-61-43.7174.3178.30000111.3V1039 V1063 A1064 L1067 A1082 V1084 G1088 L1089V1039-V1086 HydrophobicContact CG1-CG2 3.32Å; V1063-V1086 HydrophobicContact CG1-CG2 4.27Å; A1064-V1086 HydrophobicContact CB-CG1 3.9Å; L1067-V1086 HydrophobicContact CD1-CG2 4.01Å; A1082-V1086 WeakPolarHBondContact O-CG2 3.33Å; A1082-V1086 PolarHBondContact O-N 2.86Å; V1084-V1086 VanDerWaalsContact C-N 3.32Å; V1084-V1086 PolarHBondContact O-N 2.95Å; V1086-G1088 PolarHBondContact O-N 3.13Å; V1086-L1089 WeakPolarHBondContact O-CB 3.24Å; V1086-L1089 WeakPolarHBondContact O-CD1 2.98Å; V1086-L1089 PolarHBondContact O-N 3.12Å
1087A54.7Low53.1Low8 Ų838.4 Ų38.47%0.06621%0.213CC..Hα-helixtrans-69.5-13.6174.800000113.7L1083 V1084 S1085 L1089 F1090 R1149L1083-A1087 WeakPolarHBondContact O-CB 3.5Å; L1083-A1087 PolarHBondContact O-N 2.98Å; V1084-A1087 CarbonylContact O-C 3.54Å; V1084-A1087 PolarHBondContact O-N 3.39Å; V1084-A1087 VanDerWaalsContact O-N 3.09Å; S1085-A1087 PolarHBondContact O-N 2.89Å; A1087-L1089 PolarHBondContact O-N 2.88Å; A1087-F1090 VanDerWaalsContact CA-CE2 3.45Å; A1087-F1090 HydrophobicContact CB-CD2 3.89Å; A1087-F1090 HydrophobicContact CB-CE2 3.7Å; A1087-F1090 WeakPolarHBondContact O-CD2 3.45Å; A1087-F1090 PolarHBondContact O-N 2.81Å; A1087-R1149 HydrophobicContact CB-CG 4.47Å
1088G54.5Low52.7Low34 Ų3440.9 Ų40.935%0.35122%0.218SC..THydrogen-bonded Turntrans-70.1-10.5171.100000114.3V1084 S1085 V1086 F1090 P1091V1084-G1088 PolarHBondContact O-N 2.58Å; S1085-G1088 WeakPolarHBondContact O-CA 3.43Å; S1085-G1088 PolarHBondContact O-N 3.14Å; V1086-G1088 PolarHBondContact O-N 3.13Å; G1088-F1090 VanDerWaalsContact C-N 3.31Å; G1088-P1091 WeakPolarHBondContact O-CD 3.47Å
1089L54.6Low52.4Low18 Ų1845.3 Ų45.39%0.09424%0.239CC..THydrogen-bonded Turntrans-71.8-23.4172-74.8156.5000112.9T1043 L1046 V1047 L1060 V1086 A1087 A1092 Y1093T1043-L1089 HydrophobicContact CG2-CD1 3.87Å; T1043-L1089 HydrophobicContact CG2-CD2 3.56Å; T1043-L1089 HydrophobicContact CG2-CG 3.41Å; T1043-L1089 VanDerWaalsContact CG2-CG 3.41Å; L1046-L1089 HydrophobicContact CB-CD2 4.26Å; V1047-L1089 HydrophobicContact CG2-CD2 3.67Å; L1060-L1089 HydrophobicContact CB-CD1 4.47Å; L1060-L1089 HydrophobicContact CD1-CD1 4.07Å; L1060-L1089 HydrophobicContact CD2-CD1 3.72Å; L1060-L1089 HydrophobicContact CG-CD1 4.27Å; V1086-L1089 WeakPolarHBondContact O-CB 3.24Å; V1086-L1089 WeakPolarHBondContact O-CD1 2.98Å; V1086-L1089 PolarHBondContact O-N 3.12Å; A1087-L1089 PolarHBondContact O-N 2.88Å; L1089-A1092 WeakPolarHBondContact O-CB 3.44Å; L1089-A1092 PolarHBondContact O-N 3.37Å; L1089-A1092 VanDerWaalsContact O-N 3.15Å; L1089-Y1093 PolarHBondContact O-N 3.15Å
1090F56.5Low51.5Low52 Ų5248.5 Ų48.523%0.22825%0.254CS..Hα-helixtrans-65.9-37.6-172.2-61-53.2000114.3A1087 G1088 Y1093 Y1094 L1122A1087-F1090 VanDerWaalsContact CA-CE2 3.45Å; A1087-F1090 HydrophobicContact CB-CD2 3.89Å; A1087-F1090 HydrophobicContact CB-CE2 3.7Å; A1087-F1090 WeakPolarHBondContact O-CD2 3.45Å; A1087-F1090 PolarHBondContact O-N 2.81Å; G1088-F1090 VanDerWaalsContact C-N 3.31Å; F1090-Y1093 WeakPolarHBondContact O-CB 3.36Å; F1090-Y1093 PolarHBondContact O-N 3.33Å; F1090-Y1094 PolarHBondContact O-N 3.25Å; F1090-L1122 HydrophobicContact CD1-CD1 3.33Å; F1090-L1122 HydrophobicContact CD2-CD1 3.66Å; F1090-L1122 HydrophobicContact CE1-CD1 3.21Å; F1090-L1122 HydrophobicContact CE2-CD1 3.55Å; F1090-L1122 HydrophobicContact CG-CD1 3.58Å; F1090-L1122 HydrophobicContact CZ-CD1 3.35Å
1091P51Low50.8Low41 Ų4151.2 Ų51.227%0.26628%0.284SS..Hα-helixtrans-65.9-33170.5-24.135.2000114.1G1088 Y1094 K1095 F1152G1088-P1091 WeakPolarHBondContact O-CD 3.47Å; P1091-Y1094 WeakPolarHBondContact O-CB 3.5Å; P1091-Y1094 PolarHBondContact O-N 3.12Å; P1091-K1095 PolarHBondContact O-N 3.42Å; P1091-F1152 HydrophobicContact CB-CD1 4.44Å; P1091-F1152 HydrophobicContact CB-CE1 4.47Å; P1091-F1152 HydrophobicContact CG-CB 4.36Å; P1091-F1152 HydrophobicContact CG-CD1 4.08Å; P1091-F1152 HydrophobicContact CG-CD2 3.89Å; P1091-F1152 HydrophobicContact CG-CE1 4.35Å; P1091-F1152 HydrophobicContact CG-CE2 4.19Å; P1091-F1152 HydrophobicContact CG-CG 3.85Å; P1091-F1152 HydrophobicContact CG-CZ 4.41Å
1092A51.6Low49.8Very low20 Ų2057.9 Ų57.917%0.16532%0.317CS..Hα-helixtrans-68.8-39.8173.100000111.4V1047 L1089 Y1094 K1095 V1096V1047-A1092 HydrophobicContact CB-CB 4.01Å; V1047-A1092 HydrophobicContact CG1-CB 3.53Å; V1047-A1092 HydrophobicContact CG2-CB 3.46Å; V1047-A1092 VanDerWaalsContact CG2-CB 3.46Å; L1089-A1092 WeakPolarHBondContact O-CB 3.44Å; L1089-A1092 PolarHBondContact O-N 3.37Å; L1089-A1092 VanDerWaalsContact O-N 3.15Å; A1092-Y1094 VanDerWaalsContact C-N 3.33Å; A1092-Y1094 PolarHBondContact O-N 3.1Å; A1092-K1095 PolarHBondContact O-N 2.5Å; A1092-V1096 WeakPolarHBondContact O-CG2 3.43Å; A1092-V1096 PolarHBondContact O-N 3.47Å
1093Y54.2Low48.9Very low55 Ų5563.5 Ų63.522%0.21635%0.346CS..Hα-helixtrans-59.2-42.1171.2179.1-105.6000112I1057 L1089 F1090 V1096 L1097 V1118I1057-Y1093 HydrophobicContact CD1-CE2 4.11Å; L1089-Y1093 PolarHBondContact O-N 3.15Å; F1090-Y1093 WeakPolarHBondContact O-CB 3.36Å; F1090-Y1093 PolarHBondContact O-N 3.33Å; Y1093-V1096 PolarHBondContact O-N 3.41Å; Y1093-L1097 HydrophobicContact CD1-CD1 3.71Å; Y1093-L1097 HydrophobicContact CE1-CD1 3.3Å; Y1093-L1097 HydrophobicContact CE1-CG 4.22Å; Y1093-L1097 HydrophobicContact CE2-CD1 4.39Å; Y1093-L1097 HydrophobicContact CE2-CG 4.49Å; Y1093-L1097 HydrophobicContact CG-CD1 4.42Å; Y1093-L1097 WeakPolarHBondContact O-CG 3.38Å; Y1093-L1097 PolarHBondContact O-N 2.8Å; Y1093-V1118 HydrophobicContact CE1-CG1 4.21Å
1094Y50.9Low47.7Very low89 Ų8968.3 Ų68.335%0.34938%0.376SS..Hα-helixtrans-60.2-44.8172.4177.4-96.3000112.3F1090 P1091 A1092 V1096 L1097 H1098 L1156F1090-Y1094 PolarHBondContact O-N 3.25Å; P1091-Y1094 WeakPolarHBondContact O-CB 3.5Å; P1091-Y1094 PolarHBondContact O-N 3.12Å; A1092-Y1094 VanDerWaalsContact C-N 3.33Å; A1092-Y1094 PolarHBondContact O-N 3.1Å; Y1094-V1096 VanDerWaalsContact C-N 3.34Å; Y1094-V1096 PolarHBondContact O-N 2.91Å; Y1094-L1097 PolarHBondContact O-N 3.28Å; Y1094-H1098 AromaticContact CE2-CD2 3.6Å; Y1094-H1098 AromaticContact CE2-NE2 4Å; Y1094-H1098 AromaticContact CZ-CD2 3.64Å; Y1094-H1098 PolarHBondContact O-N 3.12Å; Y1094-H1098 VanDerWaalsContact O-N 3.1Å; Y1094-L1156 HydrophobicContact CD2-CD1 3.68Å; Y1094-L1156 HydrophobicContact CE2-CD1 4.07Å
1095K48.7Very low46.6Very low133 Ų13375.5 Ų75.558%0.57841%0.413SS*.Hα-helixtrans-61.8-42.7177.2-162.2176.4-178-177.10111P1091 A1092 H1098 H1099P1091-K1095 PolarHBondContact O-N 3.42Å; A1092-K1095 PolarHBondContact O-N 2.5Å; K1095-H1098 PolarHBondContact O-N 3.37Å; K1095-H1099 VanDerWaalsContact O-CB 3.28Å; K1095-H1099 WeakPolarHBondContact O-CB 3.26Å; K1095-H1099 PolarHBondContact O-N 3.13Å
1096V49.2Very low45.4Very low53 Ų5381.1 Ų81.132%0.32144%0.442SS..Hα-helixtrans-66.6-37.1177.3176.40000112.5V1051 A1092 Y1093 Y1094 H1098V1051-V1096 HydrophobicContact CB-CG1 4.06Å; V1051-V1096 HydrophobicContact CB-CG2 4.46Å; V1051-V1096 HydrophobicContact CG2-CG2 4.02Å; A1092-V1096 WeakPolarHBondContact O-CG2 3.43Å; A1092-V1096 PolarHBondContact O-N 3.47Å; Y1093-V1096 PolarHBondContact O-N 3.41Å; Y1094-V1096 VanDerWaalsContact C-N 3.34Å; Y1094-V1096 PolarHBondContact O-N 2.91Å; V1096-H1098 VanDerWaalsContact C-N 3.27Å; V1096-H1098 PolarHBondContact O-N 3.07Å
1097L49.1Very low44.2Very low91 Ų9188.6 Ų88.648%0.47648%0.482SS..Hα-helixtrans-64.6-29.4174.2-77.3169.1000113.1Y1093 Y1094Y1093-L1097 HydrophobicContact CD1-CD1 3.71Å; Y1093-L1097 HydrophobicContact CE1-CD1 3.3Å; Y1093-L1097 HydrophobicContact CE1-CG 4.22Å; Y1093-L1097 HydrophobicContact CE2-CD1 4.39Å; Y1093-L1097 HydrophobicContact CE2-CG 4.49Å; Y1093-L1097 HydrophobicContact CG-CD1 4.42Å; Y1093-L1097 WeakPolarHBondContact O-CG 3.38Å; Y1093-L1097 PolarHBondContact O-N 2.8Å; Y1094-L1097 PolarHBondContact O-N 3.28Å
1098H47.1Very low43.1Very low107 Ų10791.2 Ų91.250%0.49550%0.5SS..Hα-helixtrans-104-17.4-174.4-101.8-76.3000115.6Y1094 K1095 V1096 N1100Y1094-H1098 AromaticContact CE2-CD2 3.6Å; Y1094-H1098 AromaticContact CE2-NE2 4Å; Y1094-H1098 AromaticContact CZ-CD2 3.64Å; Y1094-H1098 PolarHBondContact O-N 3.12Å; Y1094-H1098 VanDerWaalsContact O-N 3.1Å; K1095-H1098 PolarHBondContact O-N 3.37Å; V1096-H1098 VanDerWaalsContact C-N 3.27Å; V1096-H1098 PolarHBondContact O-N 3.07Å; H1098-N1100 PolarHBondContact O-N 3.37Å
1099H44.5Very low42.4Very low144 Ų14496.7 Ų96.767%0.66752%0.52SS*.SBendtrans-85.1-2.3-172.2-136.641.2000115.6K1095K1095-H1099 VanDerWaalsContact O-CB 3.28Å; K1095-H1099 WeakPolarHBondContact O-CB 3.26Å; K1095-H1099 PolarHBondContact O-N 3.13Å
1100N34.8Very low41.7Very low92 Ų92102.2 Ų102.249%0.49255%0.549SS..  trans-113.784.9175.7-73.8-11.5000111.3H1098 D1102 I1103H1098-N1100 PolarHBondContact O-N 3.37Å; N1100-D1102 PolarHBondContact O-N 3.32Å; N1100-D1102 VanDerWaalsContact O-N 3.11Å; N1100-I1103 HydrophobicContact CB-CD1 4.21Å; N1100-I1103 HydrophobicContact CB-CG1 4.3Å
1101G37.8Very low41.1Very low75 Ų75105.7 Ų105.777%0.77357%0.566SS**THydrogen-bonded Turntrans-72.118.1172.600000115.7
1102D32.3Very low40.8Very low155 Ų155107.4 Ų107.483%0.82958%0.576SS**THydrogen-bonded Turntrans-132.413.6-170.7-89.7-24.9000114.9N1100 T1104N1100-D1102 PolarHBondContact O-N 3.32Å; N1100-D1102 VanDerWaalsContact O-N 3.11Å; D1102-T1104 PolarHBondContact O-N 2.85Å; D1102-T1104 VanDerWaalsContact O-N 3.16Å
1103I35Very low40.5Very low119 Ų119111.2 Ų111.261%0.6159%0.594SS**  trans-85.297174.8-54.9176.9000109N1100 L1105N1100-I1103 HydrophobicContact CB-CD1 4.21Å; N1100-I1103 HydrophobicContact CB-CG1 4.3Å; I1103-L1105 PolarHBondContact O-N 2.63Å; I1103-L1105 VanDerWaalsContact O-N 3.09Å
1104T30.1Very low40.2Very low120 Ų120110.2 Ų110.274%0.73660%0.595SS**  trans-48.8112.915847.80000108.7D1102 D1106D1102-T1104 PolarHBondContact O-N 2.85Å; D1102-T1104 VanDerWaalsContact O-N 3.16Å; T1104-D1106 PolarHBondContact O-N 2.96Å
1105L30.8Very low40.1Very low161 Ų161110.1 Ų110.184%0.84360%0.598SS**  trans-60.485.3169.8-83.9146000109.1I1103I1103-L1105 PolarHBondContact O-N 2.63Å; I1103-L1105 VanDerWaalsContact O-N 3.09Å
1106D30.1Very low40.2Very low133 Ų133109.4 Ų109.471%0.71159%0.591SS**  trans-94.3101.7168-124.32.9000108.2T1104 S1108T1104-D1106 PolarHBondContact O-N 2.96Å; D1106-S1108 PolarHBondContact O-N 3.42Å
1107D30.6Very low40.4Very low160 Ų160110.4 Ų110.486%0.85660%0.598SS**SBendtrans27.563.9147.6-69.9-17.9000119.4
1108S32.3Very low40.7Very low63 Ų63106.6 Ų106.644%0.44158%0.578SS.*  trans-137.996.1156.162.90000113D1106 N1110 Q1111D1106-S1108 PolarHBondContact O-N 3.42Å; S1108-N1110 PolarHBondContact O-N 3.35Å; S1108-Q1111 PolarHBondContact O-N 3.42Å
1109I39Very low41Very low150 Ų150104.5 Ų104.577%0.76957%0.57SS**THydrogen-bonded Turntrans-55.2-0.8178.1-68.7165.5000114T1112I1109-T1112 PolarHBondContact O-OG1 2.97Å
1110N40.6Very low41.7Very low134 Ų134100.3 Ų100.372%0.71755%0.554SS**THydrogen-bonded Turntrans-94-11.5-179.7-66-17.3000114.8S1108S1108-N1110 PolarHBondContact O-N 3.35Å
1111Q43.8Very low42.7Very low125 Ų12598 Ų9858%0.58454%0.54SS*.Hα-helixtrans-78.3-26.1-179.6-73.6-174.7-5.200113.5S1108 S1114 Q1115S1108-Q1111 PolarHBondContact O-N 3.42Å; Q1111-S1114 PolarHBondContact O-N 3.24Å; Q1111-S1114 PolarHBondContact O-OG 2.78Å; Q1111-Q1115 PolarHBondContact O-N 3.25Å
1112T44.9Very low43.7Very low76 Ų7694.9 Ų94.947%0.46651%0.506SS..Hα-helixtrans-71-33-176.948.30000113.5I1109 R1116I1109-T1112 PolarHBondContact O-OG1 2.97Å; T1112-R1116 WeakPolarHBondContact O-CG 3.4Å; T1112-R1116 PolarHBondContact O-N 2.87Å
1113D44.9Very low45Very low100 Ų10089 Ų8954%0.53547%0.474SS..Hα-helixtrans-71.1-37.1175.8-81.2-19.6000112.1Q1115 R1116 V1117D1113-Q1115 PolarHBondContact O-N 2.99Å; D1113-R1116 PolarHBondContact O-N 3.38Å; D1113-V1117 WeakPolarHBondContact O-CG2 3.48Å; D1113-V1117 PolarHBondContact O-N 3.11Å
1114S46.9Very low46.3Very low35 Ų3588.8 Ų88.825%0.24547%0.468CS..Hα-helixtrans-64.7-38177.673.60000112.7Q1111 V1118Q1111-S1114 PolarHBondContact O-N 3.24Å; Q1111-S1114 PolarHBondContact O-OG 2.78Å; S1114-V1118 WeakPolarHBondContact O-CG2 3.49Å; S1114-V1118 PolarHBondContact O-N 3.38Å
1115Q50.8Low47.6Very low87 Ų8783.7 Ų83.741%0.40744%0.437SS..Hα-helixtrans-70.8-34.8176.3-68.6175.4-11.600112Q1111 D1113 L1119Q1111-Q1115 PolarHBondContact O-N 3.25Å; D1113-Q1115 PolarHBondContact O-N 2.99Å; Q1115-L1119 WeakPolarHBondContact O-CG 3.38Å; Q1115-L1119 PolarHBondContact O-N 3.21Å; Q1115-L1119 VanDerWaalsContact O-N 3.13Å
1116R50.4Low49Very low117 Ų11776.4 Ų76.444%0.44240%0.399SS..Hα-helixtrans-67.2-44.3175.8-78.9177.7172.8-175-2.1112.5T1112 D1113 V1118 L1119 V1120T1112-R1116 WeakPolarHBondContact O-CG 3.4Å; T1112-R1116 PolarHBondContact O-N 2.87Å; D1113-R1116 PolarHBondContact O-N 3.38Å; R1116-V1118 VanDerWaalsContact C-N 3.33Å; R1116-V1118 PolarHBondContact O-N 3.16Å; R1116-L1119 PolarHBondContact O-N 2.77Å; R1116-V1120 VanDerWaalsContact O-CG2 3.3Å; R1116-V1120 WeakPolarHBondContact O-CG2 3.47Å; R1116-V1120 PolarHBondContact O-N 3.01Å
1117V53.2Low50.5Low75 Ų7576.8 Ų76.846%0.45539%0.391SS..Hα-helixtrans-60.4-44.5177.4173.40000110.7D1113 L1119 V1120 E1121D1113-V1117 WeakPolarHBondContact O-CG2 3.48Å; D1113-V1117 PolarHBondContact O-N 3.11Å; V1117-L1119 PolarHBondContact O-N 2.75Å; V1117-V1120 PolarHBondContact O-N 2.66Å; V1117-E1121 PolarHBondContact O-N 3.49Å
1118V54.1Low52Low10 Ų1073.1 Ų73.16%0.06137%0.367CS..Hα-helixtrans-59.7-44.9177.1175.40000111.3I1057 L1061 Y1093 S1114 R1116 L1122I1057-V1118 HydrophobicContact CG2-CG2 4.22Å; L1061-V1118 HydrophobicContact CD1-CB 4.27Å; L1061-V1118 HydrophobicContact CD1-CG1 4.24Å; L1061-V1118 HydrophobicContact CD1-CG2 3.79Å; Y1093-V1118 HydrophobicContact CE1-CG1 4.21Å; S1114-V1118 WeakPolarHBondContact O-CG2 3.49Å; S1114-V1118 PolarHBondContact O-N 3.38Å; R1116-V1118 VanDerWaalsContact C-N 3.33Å; R1116-V1118 PolarHBondContact O-N 3.16Å; V1118-L1122 WeakPolarHBondContact O-CB 3.04Å; V1118-L1122 PolarHBondContact O-N 3.25Å
1119L54.6Low53.4Low64 Ų6471 Ų7134%0.33535%0.351SS..Hα-helixtrans-67.8-36.9179-76.7167000113.2Q1115 R1116 V1117 H1123 M1160Q1115-L1119 WeakPolarHBondContact O-CG 3.38Å; Q1115-L1119 PolarHBondContact O-N 3.21Å; Q1115-L1119 VanDerWaalsContact O-N 3.13Å; R1116-L1119 PolarHBondContact O-N 2.77Å; V1117-L1119 PolarHBondContact O-N 2.75Å; L1119-H1123 WeakPolarHBondContact O-CB 3.32Å; L1119-H1123 PolarHBondContact O-N 3.31Å; L1119-M1160 HydrophobicContact CD1-CE 4.09Å; L1119-M1160 HydrophobicContact CD2-CE 4.5Å; L1119-M1160 HydrophobicContact CD2-SD 4.25Å
1120V58.3Low54.5Low56 Ų5665 Ų6534%0.33932%0.32SS..Hα-helixtrans-66.9-44.8176.5171.10000110.7R1116 V1117 H1123 K1124R1116-V1120 VanDerWaalsContact O-CG2 3.3Å; R1116-V1120 WeakPolarHBondContact O-CG2 3.47Å; R1116-V1120 PolarHBondContact O-N 3.01Å; V1117-V1120 PolarHBondContact O-N 2.66Å; V1120-H1123 WeakPolarHBondContact O-CB 3.27Å; V1120-H1123 PolarHBondContact O-N 3.34Å; V1120-K1124 PolarHBondContact O-N 3.46Å
1121E56.1Low55.5Low42 Ų4261 Ų6120%0.19630%0.302CS..Hα-helixtrans-70.5-35.1179.8-117.746.4-151.700111.8V1117 H1123 K1124 S1125V1117-E1121 PolarHBondContact O-N 3.49Å; E1121-H1123 PolarHBondContact O-N 2.94Å; E1121-K1124 PolarHBondContact O-N 3.07Å; E1121-K1124 VanDerWaalsContact OE1-CD 3.32Å; E1121-K1124 WeakPolarHBondContact OE1-CD 3.18Å; E1121-K1124 IonicContact OE1-NZ 3.35Å; E1121-K1124 PolarHBondContact OE1-NZ 3.45Å; E1121-K1124 IonicContact OE2-NZ 3.05Å; E1121-K1124 PolarHBondContact OE2-NZ 3.09Å; E1121-S1125 WeakPolarHBondContact O-CB 3.41Å; E1121-S1125 PolarHBondContact O-N 2.89Å; E1121-S1125 PolarHBondContact O-OG 3.12Å
1122L58.4Low56.3Low10 Ų1056.4 Ų56.45%0.05228%0.282CS..Hα-helixtrans-58.9-45.3168.9-170.384000111.5F1090 V1118 S1125 L1126 Y1153 L1156F1090-L1122 HydrophobicContact CD1-CD1 3.33Å; F1090-L1122 HydrophobicContact CD2-CD1 3.66Å; F1090-L1122 HydrophobicContact CE1-CD1 3.21Å; F1090-L1122 HydrophobicContact CE2-CD1 3.55Å; F1090-L1122 HydrophobicContact CG-CD1 3.58Å; F1090-L1122 HydrophobicContact CZ-CD1 3.35Å; V1118-L1122 WeakPolarHBondContact O-CB 3.04Å; V1118-L1122 PolarHBondContact O-N 3.25Å; L1122-S1125 WeakPolarHBondContact O-CB 3.46Å; L1122-S1125 PolarHBondContact O-N 3.26Å; L1122-L1126 HydrophobicContact CD1-CD1 4.32Å; L1122-L1126 HydrophobicContact CD2-CD1 4.31Å; L1122-L1126 HydrophobicContact CG-CD1 3.81Å; L1122-L1126 WeakPolarHBondContact O-CB 3.28Å; L1122-L1126 WeakPolarHBondContact O-CD1 3.48Å; L1122-L1126 VanDerWaalsContact O-CG 3.32Å; L1122-L1126 WeakPolarHBondContact O-CG 3.43Å; L1122-L1126 PolarHBondContact O-N 2.59Å; L1122-Y1153 HydrophobicContact CD2-CD2 3.91Å; L1122-Y1153 HydrophobicContact CD2-CE2 3.87Å; L1122-Y1153 HydrophobicContact CG-CE2 4.45Å; L1122-L1156 HydrophobicContact CD2-CD2 4.01Å
1123H59.2Low57.1Low32 Ų3253.1 Ų53.115%0.14826%0.261CS..Hα-helixtrans-64.4-42179.3-172.867.2000112.3L1119 V1120 E1121 L1126 R1127 Y1153L1119-H1123 WeakPolarHBondContact O-CB 3.32Å; L1119-H1123 PolarHBondContact O-N 3.31Å; V1120-H1123 WeakPolarHBondContact O-CB 3.27Å; V1120-H1123 PolarHBondContact O-N 3.34Å; E1121-H1123 PolarHBondContact O-N 2.94Å; H1123-L1126 PolarHBondContact O-N 3.41Å; H1123-R1127 PolarHBondContact CD2-NE 3.38Å; H1123-R1127 PolarHBondContact NE2-NE 3.5Å; H1123-R1127 PolarHBondContact NE2-NH2 3.23Å; H1123-R1127 WeakPolarHBondContact O-CG 3.22Å; H1123-R1127 PolarHBondContact O-N 2.65Å; H1123-Y1153 AromaticContact ND1-CZ 3.83Å; H1123-Y1153 PolarHBondContact ND1-OH 3.12Å
1124K62.2Low57.5Low114 Ų11453.2 Ų53.250%0.49626%0.261SS..Hα-helixtrans-61.6-47.3174.3-71.3172.1-176.9161.10111.7V1120 E1121 L1126 R1127 K1128V1120-K1124 PolarHBondContact O-N 3.46Å; E1121-K1124 PolarHBondContact O-N 3.07Å; E1121-K1124 VanDerWaalsContact OE1-CD 3.32Å; E1121-K1124 WeakPolarHBondContact OE1-CD 3.18Å; E1121-K1124 IonicContact OE1-NZ 3.35Å; E1121-K1124 PolarHBondContact OE1-NZ 3.45Å; E1121-K1124 IonicContact OE2-NZ 3.05Å; E1121-K1124 PolarHBondContact OE2-NZ 3.09Å; K1124-L1126 VanDerWaalsContact C-N 3.31Å; K1124-L1126 PolarHBondContact O-N 3.16Å; K1124-R1127 PolarHBondContact O-N 2.76Å; K1124-K1128 PolarHBondContact O-N 3.33Å
1125S58.1Low58.1Low13 Ų1357 Ų579%0.09128%0.275CS..Hα-helixtrans-55.4-47.1178.3-57.90000111.8L1068 E1121 L1122 K1128 I1129L1068-S1125 VanDerWaalsContact CD1-CB 3.41Å; L1068-S1125 VanDerWaalsContact CD1-OG 3.22Å; L1068-S1125 WeakPolarHBondContact CD1-OG 3.25Å; E1121-S1125 WeakPolarHBondContact O-CB 3.41Å; E1121-S1125 PolarHBondContact O-N 2.89Å; E1121-S1125 PolarHBondContact O-OG 3.12Å; L1122-S1125 WeakPolarHBondContact O-CB 3.46Å; L1122-S1125 PolarHBondContact O-N 3.26Å; S1125-K1128 PolarHBondContact O-N 3.02Å; S1125-I1129 VanDerWaalsContact O-CG1 3.29Å; S1125-I1129 WeakPolarHBondContact O-CG1 3.27Å; S1125-I1129 PolarHBondContact O-N 3.47Å
1126L60.4Low58.3Low8 Ų861.8 Ų61.84%0.04229%0.294CS..Hα-helixtrans-77.1-29.5-175.8-70.1166000113.4L1122 H1123 K1124 K1128 I1129 H1130 Y1153L1122-L1126 HydrophobicContact CD1-CD1 4.32Å; L1122-L1126 HydrophobicContact CD2-CD1 4.31Å; L1122-L1126 HydrophobicContact CG-CD1 3.81Å; L1122-L1126 WeakPolarHBondContact O-CB 3.28Å; L1122-L1126 WeakPolarHBondContact O-CD1 3.48Å; L1122-L1126 VanDerWaalsContact O-CG 3.32Å; L1122-L1126 WeakPolarHBondContact O-CG 3.43Å; L1122-L1126 PolarHBondContact O-N 2.59Å; H1123-L1126 PolarHBondContact O-N 3.41Å; K1124-L1126 VanDerWaalsContact C-N 3.31Å; K1124-L1126 PolarHBondContact O-N 3.16Å; L1126-K1128 VanDerWaalsContact C-N 3.31Å; L1126-I1129 HydrophobicContact CD2-CD1 4.14Å; L1126-I1129 PolarHBondContact O-N 3.44Å; L1126-H1130 VanDerWaalsContact O-CB 3.27Å; L1126-H1130 WeakPolarHBondContact O-CB 3.25Å; L1126-H1130 PolarHBondContact O-N 3.35Å; L1126-Y1153 HydrophobicContact CB-CD1 4.42Å; L1126-Y1153 HydrophobicContact CD1-CD1 3.74Å; L1126-Y1153 HydrophobicContact CD1-CD2 3.11Å; L1126-Y1153 HydrophobicContact CD1-CE1 4.14Å; L1126-Y1153 HydrophobicContact CD1-CE2 3.59Å; L1126-Y1153 HydrophobicContact CD1-CG 3.2Å; L1126-Y1153 HydrophobicContact CG-CG 4.41Å
1127R62.7Low58.8Low142 Ų14258.4 Ų58.454%0.53629%0.285SS..Hα-helixtrans-59.7-43.4167.7-80-174.1-171.5-157.52.8111.4H1123 K1124 H1130 S1131 L1190H1123-R1127 PolarHBondContact CD2-NE 3.38Å; H1123-R1127 PolarHBondContact NE2-NE 3.5Å; H1123-R1127 PolarHBondContact NE2-NH2 3.23Å; H1123-R1127 WeakPolarHBondContact O-CG 3.22Å; H1123-R1127 PolarHBondContact O-N 2.65Å; K1124-R1127 PolarHBondContact O-N 2.76Å; R1127-H1130 PolarHBondContact O-N 3.08Å; R1127-S1131 PolarHBondContact O-N 2.94Å; R1127-L1190 HydrophobicContact CG-CD1 3.77Å
1128K61.6Low59.1Low83 Ų8358 Ų5836%0.36130%0.295SS..Hα-helixtrans-69.5-36.6178.5-157.3170.3-169.8175.80112.1L1068 K1124 S1125 L1126 S1131 L1132L1068-K1128 HydrophobicContact CB-CD 4.42Å; L1068-K1128 HydrophobicContact CD2-CB 4.29Å; L1068-K1128 HydrophobicContact CD2-CD 4.37Å; L1068-K1128 VanDerWaalsContact O-CE 3.25Å; L1068-K1128 WeakPolarHBondContact O-CE 3.45Å; L1068-K1128 PolarHBondContact O-NZ 3.06Å; K1124-K1128 PolarHBondContact O-N 3.33Å; S1125-K1128 PolarHBondContact O-N 3.02Å; L1126-K1128 VanDerWaalsContact C-N 3.31Å; K1128-S1131 WeakPolarHBondContact CA-OG 3.1Å; K1128-S1131 PolarHBondContact O-N 3.17Å; K1128-S1131 PolarHBondContact O-OG 2.91Å; K1128-L1132 WeakPolarHBondContact O-CD1 3.32Å; K1128-L1132 VanDerWaalsContact O-CG 3.28Å; K1128-L1132 WeakPolarHBondContact O-CG 3.44Å; K1128-L1132 PolarHBondContact O-N 3.36Å; K1128-L1132 VanDerWaalsContact O-N 3.12Å
1129I61.3Low59.5Low19 Ų1959.3 Ų59.310%0.09731%0.305CS..Hα-helixtrans-67.4-38.3173.1-68.3164.6000111.5L1068 S1125 L1126 L1132 L1133 I1146L1068-I1129 HydrophobicContact CD2-CG1 4.15Å; S1125-I1129 VanDerWaalsContact O-CG1 3.29Å; S1125-I1129 WeakPolarHBondContact O-CG1 3.27Å; S1125-I1129 PolarHBondContact O-N 3.47Å; L1126-I1129 HydrophobicContact CD2-CD1 4.14Å; L1126-I1129 PolarHBondContact O-N 3.44Å; I1129-L1132 PolarHBondContact O-N 2.62Å; I1129-L1133 PolarHBondContact O-N 2.75Å; I1129-I1146 HydrophobicContact CG2-CG2 3.39Å
1130H61.8Low60.1Low23 Ų2358.9 Ų58.911%0.10630%0.303CS..Hα-helixtrans-68.2-35.4176.3-171-117.5000112.1L1126 R1127 L1133 L1190 Y1216L1126-H1130 VanDerWaalsContact O-CB 3.27Å; L1126-H1130 WeakPolarHBondContact O-CB 3.25Å; L1126-H1130 PolarHBondContact O-N 3.35Å; R1127-H1130 PolarHBondContact O-N 3.08Å; H1130-L1133 WeakPolarHBondContact O-CB 3.49Å; H1130-L1133 PolarHBondContact O-N 2.93Å; H1130-L1190 PolarHBondContact CE1-O 3.24Å; H1130-Y1216 PolarHBondContact NE2-OH 3.46Å; H1130-Y1216 VanDerWaalsContact NE2-OH 3.12Å
1131S63Low60.2Low51 Ų5162.5 Ų62.536%0.35732%0.316SS..Hα-helixtrans-66-36.5171.563.30000112.5R1127 K1128 L1133 L1134 E1135R1127-S1131 PolarHBondContact O-N 2.94Å; K1128-S1131 WeakPolarHBondContact CA-OG 3.1Å; K1128-S1131 PolarHBondContact O-N 3.17Å; K1128-S1131 PolarHBondContact O-OG 2.91Å; S1131-L1133 VanDerWaalsContact C-N 3.29Å; S1131-L1133 PolarHBondContact O-N 3.37Å; S1131-L1134 VanDerWaalsContact O-CB 3.29Å; S1131-L1134 WeakPolarHBondContact O-CB 3.39Å; S1131-L1134 PolarHBondContact O-N 2.95Å; S1131-E1135 PolarHBondContact O-N 3.4Å
1132L60Low60.4Low28 Ų2860.8 Ų60.815%0.14731%0.309CS..Hα-helixtrans-67.9-27.6176-69.2163.9000113.2L1072 K1128 I1129 L1134 E1135L1072-L1132 HydrophobicContact CB-CD1 4.16Å; L1072-L1132 HydrophobicContact CB-CD2 3.86Å; L1072-L1132 HydrophobicContact CD1-CD1 3.46Å; L1072-L1132 VanDerWaalsContact CD1-CD1 3.46Å; L1072-L1132 HydrophobicContact CG-CD1 4.32Å; K1128-L1132 WeakPolarHBondContact O-CD1 3.32Å; K1128-L1132 VanDerWaalsContact O-CG 3.28Å; K1128-L1132 WeakPolarHBondContact O-CG 3.44Å; K1128-L1132 PolarHBondContact O-N 3.36Å; K1128-L1132 VanDerWaalsContact O-N 3.12Å; I1129-L1132 PolarHBondContact O-N 2.62Å; L1132-L1134 PolarHBondContact O-N 3.33Å; L1132-E1135 PolarHBondContact O-N 3.5Å; L1132-E1135 VanDerWaalsContact O-N 3.17Å
1133L60.5Low60.8Low6 Ų662 Ų623%0.03131%0.313CS..Hα-helixtrans-63.3-25.6170.1-100.4161.8000112.7I1129 H1130 S1131 I1146 K1147 V1150 T1198I1129-L1133 PolarHBondContact O-N 2.75Å; H1130-L1133 WeakPolarHBondContact O-CB 3.49Å; H1130-L1133 PolarHBondContact O-N 2.93Å; S1131-L1133 VanDerWaalsContact C-N 3.29Å; S1131-L1133 PolarHBondContact O-N 3.37Å; L1133-I1146 HydrophobicContact CD1-CB 4.47Å; L1133-I1146 HydrophobicContact CD1-CG2 3.46Å; L1133-I1146 VanDerWaalsContact CD1-CG2 3.46Å; L1133-I1146 HydrophobicContact CD2-CG2 4.41Å; L1133-I1146 HydrophobicContact CG-CB 4.44Å; L1133-I1146 HydrophobicContact CG-CG2 3.67Å; L1133-K1147 HydrophobicContact CD2-CG 4.38Å; L1133-V1150 HydrophobicContact CD1-CG2 4.09Å; L1133-T1198 HydrophobicContact CD2-CG2 4.44Å
1134L55.1Low61.1Low103 Ų10360.9 Ų60.954%0.53931%0.309SS..Hα-helixtrans-78.5-25.3174.7-72.9151.9000112S1131 L1132 K1136 P1195S1131-L1134 VanDerWaalsContact O-CB 3.29Å; S1131-L1134 WeakPolarHBondContact O-CB 3.39Å; S1131-L1134 PolarHBondContact O-N 2.95Å; L1132-L1134 PolarHBondContact O-N 3.33Å; L1134-K1136 PolarHBondContact O-N 3.35Å; L1134-P1195 HydrophobicContact CD2-CB 3.94Å; L1134-P1195 HydrophobicContact CD2-CG 3.76Å; L1134-P1195 HydrophobicContact CG-CG 4.18Å
1135E57.9Low61.1Low113 Ų11357.2 Ų57.253%0.52830%0.297SS..SBendtrans-93.488.1-178-73.1176.5166.100111.4S1131 L1132 I1137S1131-E1135 PolarHBondContact O-N 3.4Å; L1132-E1135 PolarHBondContact O-N 3.5Å; L1132-E1135 VanDerWaalsContact O-N 3.17Å; E1135-I1137 VanDerWaalsContact C-N 3.33Å; E1135-I1137 WeakPolarHBondContact O-CG1 3.25Å; E1135-I1137 PolarHBondContact O-N 3.19Å
1136K56Low61.3Low188 Ų18857.1 Ų57.182%0.81730%0.296SS*.  trans11.258.6169.6-68.8-172.2177.4179.70118.4L1134 G1138L1134-K1136 PolarHBondContact O-N 3.35Å; K1136-G1138 PolarHBondContact O-N 3.41Å; K1136-G1138 VanDerWaalsContact O-N 3.16Å
1137I61.1Low61.7Low47 Ų4756.8 Ų56.824%0.24129%0.294CS..  trans-71.2110.7168.9-58.7177.2000109E1135 A1142 R1143 I1146E1135-I1137 VanDerWaalsContact C-N 3.33Å; E1135-I1137 WeakPolarHBondContact O-CG1 3.25Å; E1135-I1137 PolarHBondContact O-N 3.19Å; I1137-A1142 HydrophobicContact CG2-CB 3.95Å; I1137-R1143 HydrophobicContact CB-CG 4.18Å; I1137-R1143 HydrophobicContact CG2-CG 4.17Å; I1137-R1143 VanDerWaalsContact O-CD 3.31Å; I1137-R1143 WeakPolarHBondContact O-CD 3.49Å; I1137-R1143 PolarHBondContact O-NE 2.96Å; I1137-I1146 HydrophobicContact CD1-CD1 3.46Å; I1137-I1146 VanDerWaalsContact CD1-CD1 3.46Å
1138G58.4Low61.8Low65 Ų6551.1 Ų51.167%0.6728%0.276SS*.  trans-68.6-36.8-177.800000114.5K1136 L1140 R1143K1136-G1138 PolarHBondContact O-N 3.41Å; K1136-G1138 VanDerWaalsContact O-N 3.16Å; G1138-L1140 PolarHBondContact O-N 3.45Å; G1138-R1143 PolarHBondContact O-NH2 3.25Å
1139S64.1Low61.8Low39 Ų3948.9 Ų48.927%0.27327%0.265SS..  trans-70.3121.2-175.2175.10000112.5E1141 A1142 R1143S1139-E1141 VanDerWaalsContact C-N 3.3Å; S1139-E1141 PolarHBondContact O-N 3.15Å; S1139-E1141 PolarHBondContact OG-N 2.88Å; S1139-A1142 PolarHBondContact O-N 2.88Å; S1139-A1142 PolarHBondContact OG-N 3.42Å; S1139-R1143 WeakPolarHBondContact O-CG 3.43Å; S1139-R1143 PolarHBondContact O-N 3.11Å; S1139-R1143 VanDerWaalsContact O-N 3.11Å
1140L66Low61.9Low55 Ų5548.2 Ų48.229%0.28826%0.262SS..Hα-helixtrans-63.5-33.9175.8-73.1166.1000112.4G1138 A1144 L1206 N1209G1138-L1140 PolarHBondContact O-N 3.45Å; L1140-A1144 WeakPolarHBondContact O-CB 3.3Å; L1140-A1144 PolarHBondContact O-N 3.1Å; L1140-L1206 HydrophobicContact CB-CD1 4.36Å; L1140-N1209 VanDerWaalsContact CD2-ND2 3.32Å; L1140-N1209 WeakPolarHBondContact CD2-ND2 3.22Å
1141E60.9Low62.1Low132 Ų13249.7 Ų49.762%0.61727%0.267SS*.Hα-helixtrans-69.4-44.4179.3-66.3-179171.900111.4S1139 R1143 A1144 S1145 L1206S1139-E1141 VanDerWaalsContact C-N 3.3Å; S1139-E1141 PolarHBondContact O-N 3.15Å; S1139-E1141 PolarHBondContact OG-N 2.88Å; E1141-R1143 VanDerWaalsContact C-N 3.34Å; E1141-R1143 PolarHBondContact O-N 3.41Å; E1141-A1144 PolarHBondContact O-N 3.15Å; E1141-S1145 WeakPolarHBondContact O-CB 3.04Å; E1141-S1145 PolarHBondContact O-N 3.31Å; E1141-L1206 HydrophobicContact CG-CD1 3.92Å
1142A59.8Low62.1Low6 Ų652.1 Ų52.15%0.0527%0.271CS..Hα-helixtrans-61.1-45.3175.200000110.5I1137 S1139 A1144 S1145 I1146I1137-A1142 HydrophobicContact CG2-CB 3.95Å; S1139-A1142 PolarHBondContact O-N 2.88Å; S1139-A1142 PolarHBondContact OG-N 3.42Å; A1142-A1144 PolarHBondContact O-N 3.01Å; A1142-S1145 PolarHBondContact O-N 2.91Å; A1142-I1146 VanDerWaalsContact O-CG1 3.25Å; A1142-I1146 WeakPolarHBondContact O-CG1 3.5Å; A1142-I1146 PolarHBondContact O-N 2.94Å
1143R66.5Low62.2Low36 Ų3651.7 Ų51.714%0.13627%0.268CS..Hα-helixtrans-60-45.7175.5-75.4-173.3-76.2166-10.5112.7I1137 G1138 S1139 E1141 S1145 I1146 K1147 D1201I1137-R1143 HydrophobicContact CB-CG 4.18Å; I1137-R1143 HydrophobicContact CG2-CG 4.17Å; I1137-R1143 VanDerWaalsContact O-CD 3.31Å; I1137-R1143 WeakPolarHBondContact O-CD 3.49Å; I1137-R1143 PolarHBondContact O-NE 2.96Å; G1138-R1143 PolarHBondContact O-NH2 3.25Å; S1139-R1143 WeakPolarHBondContact O-CG 3.43Å; S1139-R1143 PolarHBondContact O-N 3.11Å; S1139-R1143 VanDerWaalsContact O-N 3.11Å; E1141-R1143 VanDerWaalsContact C-N 3.34Å; E1141-R1143 PolarHBondContact O-N 3.41Å; R1143-S1145 VanDerWaalsContact C-N 3.29Å; R1143-S1145 PolarHBondContact O-N 2.87Å; R1143-I1146 PolarHBondContact O-N 3.17Å; R1143-K1147 WeakPolarHBondContact O-CB 3.1Å; R1143-K1147 WeakPolarHBondContact O-CD 3.45Å; R1143-K1147 VanDerWaalsContact O-CG 3.22Å; R1143-K1147 WeakPolarHBondContact O-CG 3.16Å; R1143-K1147 PolarHBondContact O-N 3.2Å; R1143-D1201 WeakPolarHBondContact CD-OD2 3.43Å; R1143-D1201 IonicContact CZ-OD1 3.85Å; R1143-D1201 IonicContact CZ-OD2 2.73Å; R1143-D1201 IonicContact NE-OD2 3.97Å; R1143-D1201 IonicContact NH1-OD1 2.96Å; R1143-D1201 PolarHBondContact NH1-OD1 2.97Å; R1143-D1201 IonicContact NH1-OD2 3.75Å; R1143-D1201 PolarHBondContact NH1-OD2 3.33Å
1144A65.3Low62.3Low7 Ų751.5 Ų51.56%0.05827%0.267CS..Hα-helixtrans-59.8-42.517800000111.8L1140 E1141 A1142 K1147 S1148 I1208 N1209L1140-A1144 WeakPolarHBondContact O-CB 3.3Å; L1140-A1144 PolarHBondContact O-N 3.1Å; E1141-A1144 PolarHBondContact O-N 3.15Å; A1142-A1144 PolarHBondContact O-N 3.01Å; A1144-K1147 PolarHBondContact O-N 3.43Å; A1144-S1148 PolarHBondContact O-N 3.3Å; A1144-I1208 HydrophobicContact CB-CG2 4.33Å; A1144-N1209 WeakPolarHBondContact CA-OD1 2.9Å; A1144-N1209 HydrophobicContact CB-CB 3.81Å; A1144-N1209 PolarHBondContact N-OD1 3.45Å
1145S61.8Low62.7Low37 Ų3748 Ų4826%0.25925%0.251SS..Hα-helixtrans-67.4-43.8178.4-127.80000112V1084 E1141 A1142 R1143 K1147 S1148 R1149V1084-S1145 VanDerWaalsContact CG1-OG 3.3Å; V1084-S1145 WeakPolarHBondContact CG1-OG 3.45Å; E1141-S1145 WeakPolarHBondContact O-CB 3.04Å; E1141-S1145 PolarHBondContact O-N 3.31Å; A1142-S1145 PolarHBondContact O-N 2.91Å; R1143-S1145 VanDerWaalsContact C-N 3.29Å; R1143-S1145 PolarHBondContact O-N 2.87Å; S1145-K1147 VanDerWaalsContact C-N 3.33Å; S1145-K1147 PolarHBondContact O-N 3.4Å; S1145-S1148 PolarHBondContact O-N 3.23Å; S1145-S1148 PolarHBondContact O-OG 2.87Å; S1145-R1149 PolarHBondContact O-N 3.45Å; S1145-R1149 PolarHBondContact O-NH1 3.48Å; S1145-R1149 PolarHBondContact OG-NH1 3.34Å
1146I63.4Low62.9Low12 Ų1244.5 Ų44.56%0.06224%0.236CC..Hα-helixtrans-62.3-45.4177.3-64.4163.4000110V1084 I1129 L1133 I1137 A1142 R1143 S1148 R1149 V1150V1084-I1146 HydrophobicContact CG2-CG1 4.06Å; I1129-I1146 HydrophobicContact CG2-CG2 3.39Å; L1133-I1146 HydrophobicContact CD1-CB 4.47Å; L1133-I1146 HydrophobicContact CD1-CG2 3.46Å; L1133-I1146 VanDerWaalsContact CD1-CG2 3.46Å; L1133-I1146 HydrophobicContact CD2-CG2 4.41Å; L1133-I1146 HydrophobicContact CG-CB 4.44Å; L1133-I1146 HydrophobicContact CG-CG2 3.67Å; I1137-I1146 HydrophobicContact CD1-CD1 3.46Å; I1137-I1146 VanDerWaalsContact CD1-CD1 3.46Å; A1142-I1146 VanDerWaalsContact O-CG1 3.25Å; A1142-I1146 WeakPolarHBondContact O-CG1 3.5Å; A1142-I1146 PolarHBondContact O-N 2.94Å; R1143-I1146 PolarHBondContact O-N 3.17Å; I1146-S1148 VanDerWaalsContact C-N 3.33Å; I1146-S1148 PolarHBondContact O-N 3.38Å; I1146-R1149 PolarHBondContact O-N 3Å; I1146-R1149 VanDerWaalsContact O-N 3.13Å; I1146-V1150 HydrophobicContact CG2-CG2 4.29Å; I1146-V1150 WeakPolarHBondContact O-CG2 3.18Å; I1146-V1150 PolarHBondContact O-N 3.49Å
1147K69.5Low63.2Low1 Ų137.8 Ų37.80%0.00421%0.209CC..Hα-helixtrans-60.5-38.2177.8-70.6167.9-171.8170.40113.2L1133 R1143 A1144 S1145 R1149 V1150 Y1151 D1201 N1209 M1212 S1213L1133-K1147 HydrophobicContact CD2-CG 4.38Å; R1143-K1147 WeakPolarHBondContact O-CB 3.1Å; R1143-K1147 WeakPolarHBondContact O-CD 3.45Å; R1143-K1147 VanDerWaalsContact O-CG 3.22Å; R1143-K1147 WeakPolarHBondContact O-CG 3.16Å; R1143-K1147 PolarHBondContact O-N 3.2Å; A1144-K1147 PolarHBondContact O-N 3.43Å; S1145-K1147 VanDerWaalsContact C-N 3.33Å; S1145-K1147 PolarHBondContact O-N 3.4Å; K1147-R1149 PolarHBondContact O-N 3.48Å; K1147-V1150 PolarHBondContact O-N 2.9Å; K1147-Y1151 VanDerWaalsContact O-CB 3.3Å; K1147-Y1151 WeakPolarHBondContact O-CB 3.27Å; K1147-Y1151 PolarHBondContact O-N 3.46Å; K1147-D1201 VanDerWaalsContact NZ-CG 3.26Å; K1147-D1201 IonicContact NZ-OD2 2.65Å; K1147-D1201 PolarHBondContact NZ-OD2 3.3Å; K1147-N1209 PolarHBondContact NZ-OD1 3.28Å; K1147-M1212 HydrophobicContact CB-CB 4.06Å; K1147-S1213 VanDerWaalsContact CD-OG 3.27Å; K1147-S1213 WeakPolarHBondContact CD-OG 3.2Å; K1147-S1213 WeakPolarHBondContact CE-OG 3.28Å; K1147-S1213 PolarHBondContact NZ-OG 2.88Å
1148S64.1Low63.2Low23 Ų2337.2 Ų37.216%0.16121%0.206CC..Hα-helixtrans-60-37.4176.776.30000112.6A1144 S1145 I1146 Y1151 F1152 M1212A1144-S1148 PolarHBondContact O-N 3.3Å; S1145-S1148 PolarHBondContact O-N 3.23Å; S1145-S1148 PolarHBondContact O-OG 2.87Å; I1146-S1148 VanDerWaalsContact C-N 3.33Å; I1146-S1148 PolarHBondContact O-N 3.38Å; S1148-Y1151 WeakPolarHBondContact O-CB 3.46Å; S1148-Y1151 PolarHBondContact O-N 3.01Å; S1148-F1152 WeakPolarHBondContact O-CD2 3.02Å; S1148-F1152 PolarHBondContact O-N 2.67Å; S1148-M1212 VanDerWaalsContact CB-CE 3.4Å
1149R61.5Low63.3Low35 Ų3536.2 Ų36.213%0.13219%0.187CC..Hα-helixtrans-76.4-40.5-179.7-68.1168.6177.481.74.5112.6V1084 A1087 S1145 I1146 K1147 Y1151 F1152 Y1153V1084-R1149 VanDerWaalsContact C-NE 3.25Å; V1084-R1149 VanDerWaalsContact CA-NE 3.27Å; V1084-R1149 PolarHBondContact O-NE 2.86Å; V1084-R1149 PolarHBondContact O-NH2 3.29Å; A1087-R1149 HydrophobicContact CB-CG 4.47Å; S1145-R1149 PolarHBondContact O-N 3.45Å; S1145-R1149 PolarHBondContact O-NH1 3.48Å; S1145-R1149 PolarHBondContact OG-NH1 3.34Å; I1146-R1149 PolarHBondContact O-N 3Å; I1146-R1149 VanDerWaalsContact O-N 3.13Å; K1147-R1149 PolarHBondContact O-N 3.48Å; R1149-Y1151 VanDerWaalsContact C-N 3.26Å; R1149-Y1151 PolarHBondContact O-N 3.13Å; R1149-F1152 PolarHBondContact O-N 3.37Å; R1149-Y1153 PolarHBondContact O-N 3.48Å
1150V64Low63Low5 Ų538.2 Ų38.23%0.0319%0.193CC..Hα-helixtrans-63.5-38.2173.1-176.10000110.1L1133 I1146 K1147 Y1153 T1154 Y1216L1133-V1150 HydrophobicContact CD1-CG2 4.09Å; I1146-V1150 HydrophobicContact CG2-CG2 4.29Å; I1146-V1150 WeakPolarHBondContact O-CG2 3.18Å; I1146-V1150 PolarHBondContact O-N 3.49Å; K1147-V1150 PolarHBondContact O-N 2.9Å; V1150-Y1153 PolarHBondContact O-N 3.07Å; V1150-T1154 HydrophobicContact CG1-CG2 4.28Å; V1150-T1154 WeakPolarHBondContact O-CB 3.39Å; V1150-T1154 WeakPolarHBondContact O-CG2 3.31Å; V1150-T1154 PolarHBondContact O-N 3.32Å; V1150-T1154 PolarHBondContact O-OG1 3.22Å; V1150-Y1216 HydrophobicContact CB-CD2 4.17Å; V1150-Y1216 HydrophobicContact CB-CE2 4.18Å; V1150-Y1216 HydrophobicContact CG1-CD2 3.7Å; V1150-Y1216 HydrophobicContact CG1-CE2 3.29Å
1151Y66Low62.6Low55 Ų5538.7 Ų38.722%0.21620%0.196CC..Hα-helixtrans-56.3-52.9170171.7-94.8000111.6K1147 S1148 R1149 Y1153 T1154 S1155 M1212 L1215 N1219K1147-Y1151 VanDerWaalsContact O-CB 3.3Å; K1147-Y1151 WeakPolarHBondContact O-CB 3.27Å; K1147-Y1151 PolarHBondContact O-N 3.46Å; S1148-Y1151 WeakPolarHBondContact O-CB 3.46Å; S1148-Y1151 PolarHBondContact O-N 3.01Å; R1149-Y1151 VanDerWaalsContact C-N 3.26Å; R1149-Y1151 PolarHBondContact O-N 3.13Å; Y1151-Y1153 VanDerWaalsContact C-N 3.3Å; Y1151-Y1153 PolarHBondContact O-N 3.35Å; Y1151-T1154 WeakPolarHBondContact CA-OG1 3.46Å; Y1151-T1154 PolarHBondContact O-N 3.23Å; Y1151-T1154 PolarHBondContact O-OG1 3.13Å; Y1151-S1155 PolarHBondContact O-N 3.4Å; Y1151-S1155 PolarHBondContact O-OG 2.94Å; Y1151-M1212 HydrophobicContact CD1-CE 4.31Å; Y1151-M1212 HydrophobicContact CG-CE 4.41Å; Y1151-L1215 VanDerWaalsContact CD2-C 3.49Å; Y1151-L1215 HydrophobicContact CD2-CB 3.62Å; Y1151-L1215 VanDerWaalsContact CD2-O 3.29Å; Y1151-L1215 WeakPolarHBondContact CD2-O 3.19Å; Y1151-L1215 HydrophobicContact CE2-CB 3.66Å; Y1151-L1215 HydrophobicContact CE2-CD2 4.25Å; Y1151-L1215 HydrophobicContact CE2-CG 4.39Å; Y1151-L1215 HydrophobicContact CG-CB 4.28Å; Y1151-N1219 HydrophobicContact CD2-CB 4.3Å; Y1151-N1219 VanDerWaalsContact CD2-CG 3.43Å; Y1151-N1219 WeakPolarHBondContact CD2-ND2 3.44Å; Y1151-N1219 WeakPolarHBondContact CE2-ND2 3.5Å; Y1151-N1219 WeakPolarHBondContact CE2-OD1 3.06Å; Y1151-N1219 PolarHBondContact O-ND2 3.02Å
1152F63Low62.1Low101 Ų10134.5 Ų34.544%0.44318%0.184SC..Hα-helixtrans-58.7-39.2177.8-76.8-66.1000113.5P1091 S1148 R1149 S1155 L1156P1091-F1152 HydrophobicContact CB-CD1 4.44Å; P1091-F1152 HydrophobicContact CB-CE1 4.47Å; P1091-F1152 HydrophobicContact CG-CB 4.36Å; P1091-F1152 HydrophobicContact CG-CD1 4.08Å; P1091-F1152 HydrophobicContact CG-CD2 3.89Å; P1091-F1152 HydrophobicContact CG-CE1 4.35Å; P1091-F1152 HydrophobicContact CG-CE2 4.19Å; P1091-F1152 HydrophobicContact CG-CG 3.85Å; P1091-F1152 HydrophobicContact CG-CZ 4.41Å; S1148-F1152 WeakPolarHBondContact O-CD2 3.02Å; S1148-F1152 PolarHBondContact O-N 2.67Å; R1149-F1152 PolarHBondContact O-N 3.37Å; F1152-S1155 PolarHBondContact O-N 3.36Å; F1152-L1156 WeakPolarHBondContact O-CB 3.3Å; F1152-L1156 PolarHBondContact O-N 3.05Å
1153Y61.7Low61.7Low20 Ų2038.3 Ų38.38%0.07820%0.203CC..Hα-helixtrans-67.5-42.8176.9177.6-116000113.4L1122 H1123 L1126 R1149 V1150 Y1151 S1155 L1156 L1157 L1190L1122-Y1153 HydrophobicContact CD2-CD2 3.91Å; L1122-Y1153 HydrophobicContact CD2-CE2 3.87Å; L1122-Y1153 HydrophobicContact CG-CE2 4.45Å; H1123-Y1153 AromaticContact ND1-CZ 3.83Å; H1123-Y1153 PolarHBondContact ND1-OH 3.12Å; L1126-Y1153 HydrophobicContact CB-CD1 4.42Å; L1126-Y1153 HydrophobicContact CD1-CD1 3.74Å; L1126-Y1153 HydrophobicContact CD1-CD2 3.11Å; L1126-Y1153 HydrophobicContact CD1-CE1 4.14Å; L1126-Y1153 HydrophobicContact CD1-CE2 3.59Å; L1126-Y1153 HydrophobicContact CD1-CG 3.2Å; L1126-Y1153 HydrophobicContact CG-CG 4.41Å; R1149-Y1153 PolarHBondContact O-N 3.48Å; V1150-Y1153 PolarHBondContact O-N 3.07Å; Y1151-Y1153 VanDerWaalsContact C-N 3.3Å; Y1151-Y1153 PolarHBondContact O-N 3.35Å; Y1153-S1155 VanDerWaalsContact C-N 3.31Å; Y1153-S1155 PolarHBondContact O-N 2.67Å; Y1153-L1156 HydrophobicContact CD2-CD2 4.45Å; Y1153-L1156 WeakPolarHBondContact O-CB 3.42Å; Y1153-L1156 PolarHBondContact O-N 3.4Å; Y1153-L1156 VanDerWaalsContact O-N 3.13Å; Y1153-L1157 HydrophobicContact CD1-CD1 3.91Å; Y1153-L1157 HydrophobicContact CD1-CG 4.44Å; Y1153-L1157 HydrophobicContact CE1-CD1 3.36Å; Y1153-L1157 HydrophobicContact CE1-CG 4Å; Y1153-L1157 HydrophobicContact CE2-CD1 4.47Å; Y1153-L1157 HydrophobicContact CE2-CD2 4.49Å; Y1153-L1157 HydrophobicContact CE2-CG 4.23Å; Y1153-L1157 PolarHBondContact O-N 2.94Å; Y1153-L1190 HydrophobicContact CE1-CD2 4.31Å
1154T63.1Low60.6Low2 Ų244.3 Ų44.31%0.01223%0.225CC..Hα-helixtrans-65.7-37.3177.446.90000110.9V1150 Y1151 L1157 L1158 N1219 L1223V1150-T1154 HydrophobicContact CG1-CG2 4.28Å; V1150-T1154 WeakPolarHBondContact O-CB 3.39Å; V1150-T1154 WeakPolarHBondContact O-CG2 3.31Å; V1150-T1154 PolarHBondContact O-N 3.32Å; V1150-T1154 PolarHBondContact O-OG1 3.22Å; Y1151-T1154 WeakPolarHBondContact CA-OG1 3.46Å; Y1151-T1154 PolarHBondContact O-N 3.23Å; Y1151-T1154 PolarHBondContact O-OG1 3.13Å; T1154-L1157 PolarHBondContact O-N 3.41Å; T1154-L1158 WeakPolarHBondContact O-CG 3.28Å; T1154-L1158 PolarHBondContact O-N 2.98Å; T1154-N1219 VanDerWaalsContact OG1-CB 3.3Å; T1154-N1219 WeakPolarHBondContact OG1-CB 3.45Å; T1154-N1219 PolarHBondContact OG1-ND2 3.11Å; T1154-L1223 HydrophobicContact CG2-CD1 3.58Å
1155S63.4Low59.6Low29 Ų2951.5 Ų51.520%0.20326%0.258CS..Hα-helixtrans-62-40.9168.3-63.80000112.4Y1151 F1152 Y1153 L1158 V1159 N1219Y1151-S1155 PolarHBondContact O-N 3.4Å; Y1151-S1155 PolarHBondContact O-OG 2.94Å; F1152-S1155 PolarHBondContact O-N 3.36Å; Y1153-S1155 VanDerWaalsContact C-N 3.31Å; Y1153-S1155 PolarHBondContact O-N 2.67Å; S1155-L1158 WeakPolarHBondContact O-CB 3.47Å; S1155-L1158 PolarHBondContact O-N 2.8Å; S1155-V1159 WeakPolarHBondContact O-CG2 3.5Å; S1155-V1159 PolarHBondContact O-N 3.12Å; S1155-N1219 PolarHBondContact N-ND2 3.36Å; S1155-N1219 PolarHBondContact OG-ND2 3.34Å
1156L61.6Low58.3Low39 Ų3952.6 Ų52.620%0.20428%0.275CS..Hα-helixtrans-61.3-44.9175.3-177.871.7000111.3Y1094 L1122 F1152 Y1153 L1158 V1159 M1160Y1094-L1156 HydrophobicContact CD2-CD1 3.68Å; Y1094-L1156 HydrophobicContact CE2-CD1 4.07Å; L1122-L1156 HydrophobicContact CD2-CD2 4.01Å; F1152-L1156 WeakPolarHBondContact O-CB 3.3Å; F1152-L1156 PolarHBondContact O-N 3.05Å; Y1153-L1156 HydrophobicContact CD2-CD2 4.45Å; Y1153-L1156 WeakPolarHBondContact O-CB 3.42Å; Y1153-L1156 PolarHBondContact O-N 3.4Å; Y1153-L1156 VanDerWaalsContact O-N 3.13Å; L1156-L1158 VanDerWaalsContact C-N 3.32Å; L1156-L1158 PolarHBondContact O-N 2.73Å; L1156-V1159 PolarHBondContact O-N 2.85Å; L1156-M1160 HydrophobicContact CG-SD 4.27Å; L1156-M1160 WeakPolarHBondContact O-CB 3.48Å; L1156-M1160 VanDerWaalsContact O-CG 3.27Å; L1156-M1160 WeakPolarHBondContact O-CG 3.24Å; L1156-M1160 PolarHBondContact O-N 2.96Å
1157L62.3Low57Low47 Ų4756.2 Ų56.225%0.24630%0.3CS..Hα-helixtrans-61.9-39.1175-73.9174.7000112.1Y1153 T1154 M1160 N1161 L1223Y1153-L1157 HydrophobicContact CD1-CD1 3.91Å; Y1153-L1157 HydrophobicContact CD1-CG 4.44Å; Y1153-L1157 HydrophobicContact CE1-CD1 3.36Å; Y1153-L1157 HydrophobicContact CE1-CG 4Å; Y1153-L1157 HydrophobicContact CE2-CD1 4.47Å; Y1153-L1157 HydrophobicContact CE2-CD2 4.49Å; Y1153-L1157 HydrophobicContact CE2-CG 4.23Å; Y1153-L1157 PolarHBondContact O-N 2.94Å; T1154-L1157 PolarHBondContact O-N 3.41Å; L1157-M1160 PolarHBondContact O-N 3.48Å; L1157-N1161 WeakPolarHBondContact O-CB 3.44Å; L1157-N1161 PolarHBondContact O-N 2.86Å; L1157-L1223 HydrophobicContact CB-CD2 3.87Å
1158L61.1Low55.1Low36 Ų3662.3 Ų62.319%0.18834%0.337CS..Hα-helixtrans-61.8-47.6173.9-81.8155.2000111.4T1154 S1155 L1156 M1160 N1161 A1162 N1219 E1222 L1223T1154-L1158 WeakPolarHBondContact O-CG 3.28Å; T1154-L1158 PolarHBondContact O-N 2.98Å; S1155-L1158 WeakPolarHBondContact O-CB 3.47Å; S1155-L1158 PolarHBondContact O-N 2.8Å; L1156-L1158 VanDerWaalsContact C-N 3.32Å; L1156-L1158 PolarHBondContact O-N 2.73Å; L1158-M1160 PolarHBondContact O-N 3.1Å; L1158-N1161 PolarHBondContact O-N 2.9Å; L1158-A1162 WeakPolarHBondContact O-CB 3.31Å; L1158-A1162 PolarHBondContact O-N 2.9Å; L1158-N1219 HydrophobicContact CD1-CB 4.31Å; L1158-E1222 HydrophobicContact CD1-CB 4.1Å; L1158-E1222 HydrophobicContact CD2-CB 3.77Å; L1158-L1223 HydrophobicContact CD1-CD2 4.46Å; L1158-L1223 HydrophobicContact CD1-CG 4.13Å; L1158-L1223 HydrophobicContact CD2-CD2 4.12Å; L1158-L1223 HydrophobicContact CD2-CG 4.2Å; L1158-L1223 HydrophobicContact CG-CD2 3.68Å; L1158-L1223 HydrophobicContact CG-CG 3.84Å
1159V59.3Low53.7Low43 Ų4366.7 Ų66.726%0.26136%0.358SS..Hα-helixtrans-61.8-44.7176.4173.50000110.6S1155 L1156 N1161 A1162 L1163S1155-V1159 WeakPolarHBondContact O-CG2 3.5Å; S1155-V1159 PolarHBondContact O-N 3.12Å; L1156-V1159 PolarHBondContact O-N 2.85Å; V1159-N1161 VanDerWaalsContact C-N 3.33Å; V1159-N1161 PolarHBondContact O-N 3.05Å; V1159-A1162 PolarHBondContact O-N 2.84Å; V1159-L1163 HydrophobicContact CG1-CD1 4.02Å; V1159-L1163 HydrophobicContact CG1-CG 4.41Å; V1159-L1163 WeakPolarHBondContact O-CB 3.49Å; V1159-L1163 VanDerWaalsContact O-CG 3.25Å; V1159-L1163 WeakPolarHBondContact O-CG 3.11Å; V1159-L1163 PolarHBondContact O-N 3.05Å
1160M57.9Low52.1Low82 Ų8270.5 Ų70.540%0.40439%0.39SS..Hα-helixtrans-62.4-38.1176.1-71-178.673.200112.3L1119 L1156 L1157 L1158 R1164L1119-M1160 HydrophobicContact CD1-CE 4.09Å; L1119-M1160 HydrophobicContact CD2-CE 4.5Å; L1119-M1160 HydrophobicContact CD2-SD 4.25Å; L1156-M1160 HydrophobicContact CG-SD 4.27Å; L1156-M1160 WeakPolarHBondContact O-CB 3.48Å; L1156-M1160 VanDerWaalsContact O-CG 3.27Å; L1156-M1160 WeakPolarHBondContact O-CG 3.24Å; L1156-M1160 PolarHBondContact O-N 2.96Å; L1157-M1160 PolarHBondContact O-N 3.48Å; L1158-M1160 PolarHBondContact O-N 3.1Å; M1160-R1164 WeakPolarHBondContact O-CB 3.44Å; M1160-R1164 PolarHBondContact O-N 3.05Å
1161N58.3Low50.6Low65 Ų6575.1 Ų75.135%0.34842%0.422SS..Hα-helixtrans-70.6-38.5174.8-83.2-14.9000112.5L1157 L1158 V1159 R1164 Q1165L1157-N1161 WeakPolarHBondContact O-CB 3.44Å; L1157-N1161 PolarHBondContact O-N 2.86Å; L1158-N1161 PolarHBondContact O-N 2.9Å; V1159-N1161 VanDerWaalsContact C-N 3.33Å; V1159-N1161 PolarHBondContact O-N 3.05Å; N1161-R1164 CarbonylContact O-C 3.55Å; N1161-R1164 WeakPolarHBondContact O-CA 3.34Å; N1161-R1164 WeakPolarHBondContact O-CB 3.49Å; N1161-R1164 PolarHBondContact O-N 3.47Å; N1161-R1164 VanDerWaalsContact O-N 3.13Å; N1161-Q1165 WeakPolarHBondContact O-CG 3.37Å; N1161-Q1165 PolarHBondContact O-N 3.26Å
1162A51.2Low48.9Very low44 Ų4479.6 Ų79.636%0.36445%0.448SS..Hα-helixtrans-65-41.5175.400000111.3L1158 V1159 R1164 Q1165 G1166L1158-A1162 WeakPolarHBondContact O-CB 3.31Å; L1158-A1162 PolarHBondContact O-N 2.9Å; V1159-A1162 PolarHBondContact O-N 2.84Å; A1162-R1164 VanDerWaalsContact C-N 3.28Å; A1162-R1164 PolarHBondContact O-N 3.18Å; A1162-Q1165 PolarHBondContact O-N 3.43Å; A1162-G1166 PolarHBondContact O-N 3.38Å
1163L50.1Low47.2Very low85 Ų8578.1 Ų78.145%0.44546%0.461SS..Hα-helixtrans-61.6-36.5170.4-69.5170.6000111.3V1159 I1169V1159-L1163 HydrophobicContact CG1-CD1 4.02Å; V1159-L1163 HydrophobicContact CG1-CG 4.41Å; V1159-L1163 WeakPolarHBondContact O-CB 3.49Å; V1159-L1163 VanDerWaalsContact O-CG 3.25Å; V1159-L1163 WeakPolarHBondContact O-CG 3.11Å; V1159-L1163 PolarHBondContact O-N 3.05Å; L1163-I1169 HydrophobicContact CD2-CD1 4.48Å
1164R44Very low45.5Very low162 Ų16288.3 Ų88.361%0.61150%0.499SS*.Hα-helixtrans-69.6-27.8175.5-166.2179.7-175.8177.33.2113.6M1160 N1161 A1162M1160-R1164 WeakPolarHBondContact O-CB 3.44Å; M1160-R1164 PolarHBondContact O-N 3.05Å; N1161-R1164 CarbonylContact O-C 3.55Å; N1161-R1164 WeakPolarHBondContact O-CA 3.34Å; N1161-R1164 WeakPolarHBondContact O-CB 3.49Å; N1161-R1164 PolarHBondContact O-N 3.47Å; N1161-R1164 VanDerWaalsContact O-N 3.13Å; A1162-R1164 VanDerWaalsContact C-N 3.28Å; A1162-R1164 PolarHBondContact O-N 3.18Å
1165Q44.7Very low43.7Very low159 Ų15995.7 Ų95.774%0.74354%0.539SS*.THydrogen-bonded Turntrans-89.84.7-179.1-73.9-175.5-300114.2N1161 A1162 C1167N1161-Q1165 WeakPolarHBondContact O-CG 3.37Å; N1161-Q1165 PolarHBondContact O-N 3.26Å; A1162-Q1165 PolarHBondContact O-N 3.43Å; Q1165-C1167 PolarHBondContact O-N 3.45Å
1166G33.2Very low42.4Very low60 Ų6099 Ų9962%0.61956%0.558SS**THydrogen-bonded Turntrans68.521.3175.100000114.2A1162 V1168A1162-G1166 PolarHBondContact O-N 3.38Å; G1166-V1168 PolarHBondContact O-N 2.91Å; G1166-V1168 VanDerWaalsContact O-N 3.07Å
1167C36.3Very low40.9Very low88 Ų88104.2 Ų104.260%0.59559%0.586SS**  trans-66.4109.9169.7-91.70000109.2Q1165 I1169Q1165-C1167 PolarHBondContact O-N 3.45Å; C1167-I1169 PolarHBondContact O-N 3.45Å
1168V30.7Very low39.5Very low128 Ų128108 Ų10878%0.77660%0.601SS**  trans-61.999.2175.4-179.90000108.3G1166 S1170G1166-V1168 PolarHBondContact O-N 2.91Å; G1166-V1168 VanDerWaalsContact O-N 3.07Å; V1168-S1170 PolarHBondContact O-N 2.78Å; V1168-S1170 VanDerWaalsContact O-N 3.1Å
1169I33.7Very low38.2Very low116 Ų116114 Ų11460%0.59563%0.627SS**  trans-67.3104.8155.9-59.2172.5000104.2L1163 C1167 S1171L1163-I1169 HydrophobicContact CD2-CD1 4.48Å; C1167-I1169 PolarHBondContact O-N 3.45Å; I1169-S1171 PolarHBondContact O-N 3.07Å
1170S28.5Very low37.2Very low115 Ų115116.5 Ų116.580%0.80465%0.647SS**THydrogen-bonded Turntrans-65.975.8-175.6540000111.2V1168V1168-S1170 PolarHBondContact O-N 2.78Å; V1168-S1170 VanDerWaalsContact O-N 3.1Å
1171S31.9Very low36.2Very low102 Ų102117.2 Ų117.271%0.71365%0.652SS**THydrogen-bonded Turntrans-169.40.1160.856.40000115.6I1169I1169-S1171 PolarHBondContact O-N 3.07Å
1172I30.6Very low34.8Very low149 Ų149119.8 Ų119.876%0.76467%0.666SS**  trans-132107.4177.2-53.5177.4000110.6
1173G27Very low33.8Very low69 Ų69121.1 Ų121.171%0.71168%0.683SS**  trans-84.1148.5-179.600000114.4
1174R26Very low33Very low234 Ų234124.6 Ų124.688%0.88370%0.697SS**SBendtrans80.2113.2154.9-62.7-176.8177.9172.80.5119.3
1175N26.8Very low32.3Very low157 Ų157122.1 Ų122.184%0.8471%0.705SS**  trans47.996.2141.1-65.6-8.5000118.8
1176V35.2Very low32Very low100 Ų100122 Ų12261%0.60670%0.698SS**  trans-127.2124.6153.5-177.20000108.1F1178V1176-F1178 HydrophobicContact CB-CE2 4.37Å; V1176-F1178 WeakPolarHBondContact O-CD2 3.08Å; V1176-F1178 PolarHBondContact O-N 3.11Å; V1176-F1178 VanDerWaalsContact O-N 3.11Å
1177D29.7Very low32.1Very low148 Ų148123.7 Ų123.779%0.79170%0.701SS**  trans-68.999.7-178.1-75.5-42.4000111.9H1179D1177-H1179 PolarHBondContact O-N 3.38Å
1178F33.2Very low32.1Very low127 Ų127128 Ų12856%0.55771%0.712SS**  trans-7910.6-179-86.9-85.8000115.2V1176 S1180 L1181V1176-F1178 HydrophobicContact CB-CE2 4.37Å; V1176-F1178 WeakPolarHBondContact O-CD2 3.08Å; V1176-F1178 PolarHBondContact O-N 3.11Å; V1176-F1178 VanDerWaalsContact O-N 3.11Å; F1178-S1180 VanDerWaalsContact C-N 3.29Å; F1178-S1180 PolarHBondContact O-N 3.33Å; F1178-L1181 HydrophobicContact CD1-CD1 4.05Å; F1178-L1181 HydrophobicContact CE1-CD1 4.43Å
1179H34.2Very low32.9Very low160 Ų160124.9 Ų124.974%0.74170%0.695SS**THydrogen-bonded Turntrans-74.3-4.4-170.3-80.8-65.4000116.1D1177D1177-H1179 PolarHBondContact O-N 3.38Å
1180S38.8Very low33.7Very low96 Ų96121.6 Ų121.667%0.67168%0.679SS**THydrogen-bonded Turntrans-100.25.2-177.6650000115.9F1178F1178-S1180 VanDerWaalsContact C-N 3.29Å; F1178-S1180 PolarHBondContact O-N 3.33Å
1181L36.5Very low34.9Very low97 Ų97116.9 Ų116.951%0.50865%0.645SS.*SBendtrans-98.76.3178.8-82.7154.1000114.3F1178 G1183F1178-L1181 HydrophobicContact CD1-CD1 4.05Å; F1178-L1181 HydrophobicContact CE1-CD1 4.43Å; L1181-G1183 PolarHBondContact O-N 3.18Å
1182N29.4Very low35.8Very low120 Ų120115.6 Ų115.664%0.64264%0.641SS**  trans-89.518.5-172.2-76.7-19.9000115.6
1183G30.1Very low37.2Very low71 Ų71113.9 Ų113.973%0.73263%0.633SS**SBendtrans-96.8-19.9-167.600000118.3L1181L1181-G1183 PolarHBondContact O-N 3.18Å
1184Q32Very low39Very low158 Ų158111.3 Ų111.374%0.73860%0.603SS**SBendtrans-143.7127-179.2-72.3-174.1-14.900111.4Y1186Q1184-Y1186 WeakPolarHBondContact O-CD2 3.37Å; Q1184-Y1186 PolarHBondContact O-N 2.99Å
1185S30.3Very low41Very low110 Ų110100.5 Ų100.577%0.76956%0.563SS**  trans-57.687.8-179.442.20000113.2S1187S1185-S1187 PolarHBondContact O-N 3.47Å
1186Y38Very low43Very low156 Ų15696.7 Ų96.761%0.61255%0.547SS*.  trans-82.643.8160.2-74.7-85.5000110.9Q1184Q1184-Y1186 WeakPolarHBondContact O-CD2 3.37Å; Q1184-Y1186 PolarHBondContact O-N 2.99Å
1187S34.5Very low44.7Very low97 Ų9794.6 Ų94.668%0.67853%0.532SS*.  trans-118.437.2-170.462.90000113.1S1185S1185-S1187 PolarHBondContact O-N 3.47Å
1188E38.1Very low46.7Very low177 Ų17787.6 Ų87.683%0.82749%0.494SS*.SBendtrans-122.2123.5162.2-77.9-174.2164.400108.7
1189P46.8Very low48.7Very low64 Ų6481.8 Ų81.842%0.41647%0.469SS..  trans-71.9134.3-171.930.8-33.6000110.2C1191 T1224P1189-C1191 PolarHBondContact O-N 3.42Å; P1189-T1224 HydrophobicContact CB-CG2 3.83Å
1190L51.2Low50.8Low47 Ų4777.1 Ų77.125%0.24645%0.452CS..SBendtrans-54.9-6.2174.3-147.789.2000114.2R1127 H1130 Y1153R1127-L1190 HydrophobicContact CG-CD1 3.77Å; H1130-L1190 PolarHBondContact CE1-O 3.24Å; Y1153-L1190 HydrophobicContact CE1-CD2 4.31Å
1191C53.6Low52.6Low16 Ų1673 Ų7311%0.10842%0.422CS..  trans-143.374.9-169.1-58.90000111.2P1189 D1193 V1220P1189-C1191 PolarHBondContact O-N 3.42Å; C1191-D1193 VanDerWaalsContact C-N 3.29Å; C1191-V1220 HydrophobicContact CB-CG1 4.23Å
1192A50.8Low54.5Low74 Ų7468.6 Ų68.661%0.61240%0.4SS*.SBendtrans-67.9-32.216900000112
1193D59.2Low56.8Low113 Ų11363.9 Ų63.960%0.60438%0.376SS*.SBendtrans-142.8137.6177.5-71.1-52.7000110.5C1191 Q1234C1191-D1193 VanDerWaalsContact C-N 3.29Å; D1193-Q1234 PolarHBondContact OD1-NE2 3.25Å
1194I65.2Low58.9Low15 Ų1566.2 Ų66.28%0.07737%0.371CS..  trans-83132.1173.6-62.7-167.1000109T1198 L1199 V1220 L1231I1194-T1198 WeakPolarHBondContact CG2-OG1 3.46Å; I1194-L1199 HydrophobicContact CG2-CD1 4.42Å; I1194-L1199 HydrophobicContact CG2-CD2 4.15Å; I1194-L1199 HydrophobicContact CG2-CG 3.96Å; I1194-V1220 HydrophobicContact CD1-CB 4.26Å; I1194-V1220 HydrophobicContact CD1-CG1 3.78Å; I1194-V1220 HydrophobicContact CG1-CG1 4.22Å; I1194-L1231 HydrophobicContact CD1-CD1 3.34Å; I1194-L1231 HydrophobicContact CD1-CD2 3.92Å; I1194-L1231 HydrophobicContact CD1-CG 4.29Å; I1194-L1231 HydrophobicContact CG1-CD1 4.08Å
1195P67.3Low60.8Low8 Ų859.9 Ų59.95%0.05235%0.348CS..  trans-63.3134.7178.5-14.925.1000111.3L1134 I1197 T1198 L1199L1134-P1195 HydrophobicContact CD2-CB 3.94Å; L1134-P1195 HydrophobicContact CD2-CG 3.76Å; L1134-P1195 HydrophobicContact CG-CG 4.18Å; P1195-I1197 PolarHBondContact O-N 2.98Å; P1195-I1197 VanDerWaalsContact O-N 3.11Å; P1195-T1198 HydrophobicContact CB-CG2 4.18Å; P1195-T1198 HydrophobicContact CG-CG2 4.04Å; P1195-T1198 PolarHBondContact O-N 2.93Å; P1195-T1198 PolarHBondContact O-OG1 2.97Å; P1195-L1199 PolarHBondContact O-N 3.2Å
1196P69.7Low63Low76 Ų7658.6 Ų58.649%0.49433%0.332SS..Hα-helixtrans-60.8-26.4179.223.4-33000112.5T1198 L1199 T1200P1196-T1198 VanDerWaalsContact C-N 3.28Å; P1196-T1198 PolarHBondContact O-N 3.32Å; P1196-L1199 PolarHBondContact O-N 3.39Å; P1196-T1200 WeakPolarHBondContact O-CG2 3.17Å; P1196-T1200 PolarHBondContact O-N 2.71Å; P1196-T1200 PolarHBondContact O-OG1 2.96Å
1197I70.8Confident64.9Low56 Ų5653.2 Ų53.229%0.28732%0.317SS..Hα-helixtrans-59.5-37.9171.8-71.4171.3000111.7P1195 T1200 D1201P1195-I1197 PolarHBondContact O-N 2.98Å; P1195-I1197 VanDerWaalsContact O-N 3.11Å; I1197-T1200 VanDerWaalsContact CA-OG1 3.26Å; I1197-T1200 WeakPolarHBondContact CA-OG1 3.35Å; I1197-T1200 PolarHBondContact O-OG1 3.49Å; I1197-D1201 WeakPolarHBondContact O-CB 3.23Å; I1197-D1201 PolarHBondContact O-N 2.95Å; I1197-D1201 VanDerWaalsContact O-N 3.09Å
1198T71.2Confident66.9Low2 Ų253.5 Ų53.51%0.01231%0.31CS..Hα-helixtrans-72.3-34.8178.863.80000112L1133 I1194 P1195 P1196 T1202 Y1216L1133-T1198 HydrophobicContact CD2-CG2 4.44Å; I1194-T1198 WeakPolarHBondContact CG2-OG1 3.46Å; P1195-T1198 HydrophobicContact CB-CG2 4.18Å; P1195-T1198 HydrophobicContact CG-CG2 4.04Å; P1195-T1198 PolarHBondContact O-N 2.93Å; P1195-T1198 PolarHBondContact O-OG1 2.97Å; P1196-T1198 VanDerWaalsContact C-N 3.28Å; P1196-T1198 PolarHBondContact O-N 3.32Å; T1198-T1202 WeakPolarHBondContact O-CG2 3.43Å; T1198-T1202 PolarHBondContact O-N 2.84Å; T1198-Y1216 HydrophobicContact CG2-CE1 4.41Å
1199L74.5Confident68.7Low5 Ų545 Ų453%0.02627%0.27CS..Hα-helixtrans-71.6-41.1175.8-65.8176.2000111.8I1194 P1195 P1196 D1201 T1202 V1217 L1235 Y1240I1194-L1199 HydrophobicContact CG2-CD1 4.42Å; I1194-L1199 HydrophobicContact CG2-CD2 4.15Å; I1194-L1199 HydrophobicContact CG2-CG 3.96Å; P1195-L1199 PolarHBondContact O-N 3.2Å; P1196-L1199 PolarHBondContact O-N 3.39Å; L1199-D1201 VanDerWaalsContact C-N 3.33Å; L1199-D1201 PolarHBondContact O-N 3.37Å; L1199-T1202 WeakPolarHBondContact O-CB 3.48Å; L1199-T1202 PolarHBondContact O-N 2.79Å; L1199-T1202 VanDerWaalsContact O-N 3.12Å; L1199-T1202 PolarHBondContact O-OG1 3.26Å; L1199-V1217 HydrophobicContact CD2-CG2 4.12Å; L1199-L1235 HydrophobicContact CD2-CD2 3.74Å; L1199-Y1240 HydrophobicContact CB-CD1 4.23Å; L1199-Y1240 HydrophobicContact CB-CD2 4.07Å; L1199-Y1240 HydrophobicContact CB-CE1 3.94Å; L1199-Y1240 HydrophobicContact CB-CE2 3.74Å; L1199-Y1240 HydrophobicContact CB-CG 4.31Å; L1199-Y1240 HydrophobicContact CD1-CD2 4.03Å; L1199-Y1240 HydrophobicContact CD1-CE2 3.66Å; L1199-Y1240 HydrophobicContact CG-CE2 4.31Å
1200T79.2Confident70.3Confident62 Ų6244.1 Ų44.138%0.3826%0.26SS..Hα-helixtrans-62.7-39.1174.249.30000112.2P1196 I1197 T1202 C1203 D1204 Y1240P1196-T1200 WeakPolarHBondContact O-CG2 3.17Å; P1196-T1200 PolarHBondContact O-N 2.71Å; P1196-T1200 PolarHBondContact O-OG1 2.96Å; I1197-T1200 VanDerWaalsContact CA-OG1 3.26Å; I1197-T1200 WeakPolarHBondContact CA-OG1 3.35Å; I1197-T1200 PolarHBondContact O-OG1 3.49Å; T1200-T1202 PolarHBondContact O-N 3.49Å; T1200-C1203 WeakPolarHBondContact O-CB 3.37Å; T1200-C1203 PolarHBondContact O-N 2.93Å; T1200-D1204 PolarHBondContact O-N 2.99Å; T1200-Y1240 HydrophobicContact CG2-CE1 4.05Å
1201D76.5Confident71.9Confident9 Ų943 Ų435%0.04826%0.255CS..Hα-helixtrans-67.5-14.5175.1-76.4-20.3000114.4R1143 K1147 I1197 L1199 C1203 D1204R1143-D1201 WeakPolarHBondContact CD-OD2 3.43Å; R1143-D1201 IonicContact CZ-OD1 3.85Å; R1143-D1201 IonicContact CZ-OD2 2.73Å; R1143-D1201 IonicContact NE-OD2 3.97Å; R1143-D1201 IonicContact NH1-OD1 2.96Å; R1143-D1201 PolarHBondContact NH1-OD1 2.97Å; R1143-D1201 IonicContact NH1-OD2 3.75Å; R1143-D1201 PolarHBondContact NH1-OD2 3.33Å; K1147-D1201 VanDerWaalsContact NZ-CG 3.26Å; K1147-D1201 IonicContact NZ-OD2 2.65Å; K1147-D1201 PolarHBondContact NZ-OD2 3.3Å; I1197-D1201 WeakPolarHBondContact O-CB 3.23Å; I1197-D1201 PolarHBondContact O-N 2.95Å; I1197-D1201 VanDerWaalsContact O-N 3.09Å; L1199-D1201 VanDerWaalsContact C-N 3.33Å; L1199-D1201 PolarHBondContact O-N 3.37Å; D1201-C1203 VanDerWaalsContact C-N 3.28Å; D1201-D1204 CarbonylContact C-O 3.55Å; D1201-D1204 VanDerWaalsContact O-O 3.14Å
1202T76.9Confident73.1Confident5 Ų543.6 Ų43.63%0.03126%0.256CS..Hα-helixtrans-70.8-29.4168.6700000111.5T1198 L1199 T1200 I1214 V1217 H1244T1198-T1202 WeakPolarHBondContact O-CG2 3.43Å; T1198-T1202 PolarHBondContact O-N 2.84Å; L1199-T1202 WeakPolarHBondContact O-CB 3.48Å; L1199-T1202 PolarHBondContact O-N 2.79Å; L1199-T1202 VanDerWaalsContact O-N 3.12Å; L1199-T1202 PolarHBondContact O-OG1 3.26Å; T1200-T1202 PolarHBondContact O-N 3.49Å; T1202-I1214 HydrophobicContact CG2-CG1 4.24Å; T1202-V1217 HydrophobicContact CG2-CG2 4.21Å; T1202-H1244 PolarHBondContact O-CE1 2.95Å; T1202-H1244 PolarHBondContact OG1-NE2 3.43Å
1203C76.9Confident74.4Confident21 Ų2140.1 Ų40.114%0.14223%0.227CC..Hα-helixtrans-91.5-39.8-175.4-64.50000111.6T1200 D1201 K1210 H1243T1200-C1203 WeakPolarHBondContact O-CB 3.37Å; T1200-C1203 PolarHBondContact O-N 2.93Å; D1201-C1203 VanDerWaalsContact C-N 3.28Å; C1203-K1210 VanDerWaalsContact O-CE 3.31Å; C1203-K1210 WeakPolarHBondContact O-CE 3.35Å; C1203-K1210 PolarHBondContact O-NZ 3.47Å; C1203-H1243 PolarHBondContact SG-ND1 3.25Å; C1203-H1243 VanDerWaalsContact SG-ND1 3.44Å
1204D74Confident75.6Confident120 Ų12034.7 Ų34.764%0.64220%0.199SC*.SBendtrans-127.9154.6-173.3-159.79000113.7T1200 D1201 K1210T1200-D1204 PolarHBondContact O-N 2.99Å; D1201-D1204 CarbonylContact C-O 3.55Å; D1201-D1204 VanDerWaalsContact O-O 3.14Å; D1204-K1210 VanDerWaalsContact C-CE 3.49Å
1205G72.8Confident76.3Confident24 Ų2435.9 Ų35.925%0.24721%0.205CC..SBendtrans114.9-170.4179.800000115.5K1210G1205-K1210 WeakPolarHBondContact O-CE 3.28Å
1206L75.1Confident76.8Confident84 Ų8435.6 Ų35.644%0.4420%0.203SC..  trans-62.4144.5177-69.3165.3000110.9L1140 E1141 I1208 N1209 K1210L1140-L1206 HydrophobicContact CB-CD1 4.36Å; E1141-L1206 HydrophobicContact CG-CD1 3.92Å; L1206-I1208 PolarHBondContact O-N 3.17Å; L1206-N1209 WeakPolarHBondContact O-CA 3.5Å; L1206-N1209 WeakPolarHBondContact O-CB 3.5Å; L1206-N1209 PolarHBondContact O-N 3.26Å; L1206-K1210 PolarHBondContact O-N 3.42Å
1207C78.2Confident77.2Confident43 Ų4332 Ų3229%0.29118%0.18SC..Hα-helixtrans-50.3-39179.3-62.40000112.9K1210 V1211 R1267 V1271C1207-K1210 PolarHBondContact O-N 3.42Å; C1207-V1211 VanDerWaalsContact O-CG2 3.31Å; C1207-V1211 WeakPolarHBondContact O-CG2 3.49Å; C1207-V1211 PolarHBondContact O-N 3.09Å; C1207-R1267 HydrophobicContact CB-CB 4Å; C1207-V1271 HydrophobicContact CB-CG2 3.69Å
1208I76.5Confident77.6Confident102 Ų10229.9 Ų29.952%0.52317%0.168SC..Hα-helixtrans-63.5-45.2177.1-57.4172.3000110.8A1144 L1206 K1210 V1211 M1212A1144-I1208 HydrophobicContact CB-CG2 4.33Å; L1206-I1208 PolarHBondContact O-N 3.17Å; I1208-K1210 VanDerWaalsContact C-N 3.35Å; I1208-K1210 PolarHBondContact O-N 3.34Å; I1208-V1211 PolarHBondContact O-N 3.13Å; I1208-M1212 HydrophobicContact CG2-CG 4.4Å; I1208-M1212 VanDerWaalsContact O-CG 3.3Å; I1208-M1212 WeakPolarHBondContact O-CG 3.33Å; I1208-M1212 PolarHBondContact O-N 3.37Å
1209N75.8Confident77.6Confident0 Ų030 Ų300%017%0.169CC..Hα-helixtrans-63.8-41.1177.3-168.835.2000111.2L1140 A1144 K1147 L1206 M1212 S1213L1140-N1209 VanDerWaalsContact CD2-ND2 3.32Å; L1140-N1209 WeakPolarHBondContact CD2-ND2 3.22Å; A1144-N1209 WeakPolarHBondContact CA-OD1 2.9Å; A1144-N1209 HydrophobicContact CB-CB 3.81Å; A1144-N1209 PolarHBondContact N-OD1 3.45Å; K1147-N1209 PolarHBondContact NZ-OD1 3.28Å; L1206-N1209 WeakPolarHBondContact O-CA 3.5Å; L1206-N1209 WeakPolarHBondContact O-CB 3.5Å; L1206-N1209 PolarHBondContact O-N 3.26Å; N1209-M1212 PolarHBondContact O-N 3.13Å; N1209-S1213 VanDerWaalsContact O-CB 3.28Å; N1209-S1213 WeakPolarHBondContact O-CB 3.13Å; N1209-S1213 PolarHBondContact O-N 3.22Å; N1209-S1213 PolarHBondContact O-OG 3.48Å
1210K81.9Confident77.5Confident45 Ų4530 Ų3020%0.19617%0.169CC..Hα-helixtrans-61.3-51.5176.9-64.5-170-171.6-165.60111.4C1203 D1204 G1205 L1206 C1207 I1208 M1212 S1213 I1214 V1271C1203-K1210 VanDerWaalsContact O-CE 3.31Å; C1203-K1210 WeakPolarHBondContact O-CE 3.35Å; C1203-K1210 PolarHBondContact O-NZ 3.47Å; D1204-K1210 VanDerWaalsContact C-CE 3.49Å; G1205-K1210 WeakPolarHBondContact O-CE 3.28Å; L1206-K1210 PolarHBondContact O-N 3.42Å; C1207-K1210 PolarHBondContact O-N 3.42Å; I1208-K1210 VanDerWaalsContact C-N 3.35Å; I1208-K1210 PolarHBondContact O-N 3.34Å; K1210-M1212 PolarHBondContact O-N 3.26Å; K1210-S1213 PolarHBondContact O-N 3.3Å; K1210-I1214 VanDerWaalsContact O-CG1 3.25Å; K1210-I1214 WeakPolarHBondContact O-CG1 3.32Å; K1210-I1214 PolarHBondContact O-N 3.21Å; K1210-V1271 HydrophobicContact CB-CG1 4.45Å
1211V83.1Confident77.2Confident23 Ų2327.5 Ų27.514%0.13915%0.153CC..Hα-helixtrans-56.9-50177.9171.70000110.7C1207 I1208 S1213 I1214 L1215 V1271 A1274C1207-V1211 VanDerWaalsContact O-CG2 3.31Å; C1207-V1211 WeakPolarHBondContact O-CG2 3.49Å; C1207-V1211 PolarHBondContact O-N 3.09Å; I1208-V1211 PolarHBondContact O-N 3.13Å; V1211-S1213 VanDerWaalsContact C-N 3.33Å; V1211-S1213 PolarHBondContact O-N 3.5Å; V1211-I1214 PolarHBondContact O-N 2.86Å; V1211-L1215 HydrophobicContact CG1-CD1 3.82Å; V1211-L1215 HydrophobicContact CG1-CG 4.35Å; V1211-L1215 WeakPolarHBondContact O-CB 3.33Å; V1211-L1215 VanDerWaalsContact O-CG 3.3Å; V1211-L1215 WeakPolarHBondContact O-CG 3.22Å; V1211-L1215 PolarHBondContact O-N 3.45Å; V1211-V1271 HydrophobicContact CG2-CB 4.3Å; V1211-V1271 HydrophobicContact CG2-CG2 3.79Å; V1211-A1274 HydrophobicContact CG1-CB 4.22Å; V1211-A1274 HydrophobicContact CG2-CB 4.32Å
1212M79.7Confident76.9Confident29 Ų2930.7 Ų30.714%0.14317%0.168CC..Hα-helixtrans-66.2-34.2-179.4-64.1-36.1-58.400112.9K1147 S1148 Y1151 I1208 N1209 K1210 L1215 Y1216K1147-M1212 HydrophobicContact CB-CB 4.06Å; S1148-M1212 VanDerWaalsContact CB-CE 3.4Å; Y1151-M1212 HydrophobicContact CD1-CE 4.31Å; Y1151-M1212 HydrophobicContact CG-CE 4.41Å; I1208-M1212 HydrophobicContact CG2-CG 4.4Å; I1208-M1212 VanDerWaalsContact O-CG 3.3Å; I1208-M1212 WeakPolarHBondContact O-CG 3.33Å; I1208-M1212 PolarHBondContact O-N 3.37Å; N1209-M1212 PolarHBondContact O-N 3.13Å; K1210-M1212 PolarHBondContact O-N 3.26Å; M1212-L1215 HydrophobicContact CE-CD1 4.09Å; M1212-L1215 HydrophobicContact SD-CD1 4.23Å; M1212-Y1216 VanDerWaalsContact O-CB 3.3Å; M1212-Y1216 WeakPolarHBondContact O-CB 3.36Å; M1212-Y1216 PolarHBondContact O-N 3.3Å
1213S78.9Confident76.3Confident0 Ų032.3 Ų32.30%018%0.176CC..Hα-helixtrans-67.4-43.5175.7-54.20000111.3K1147 N1209 K1210 V1211 Y1216 V1217K1147-S1213 VanDerWaalsContact CD-OG 3.27Å; K1147-S1213 WeakPolarHBondContact CD-OG 3.2Å; K1147-S1213 WeakPolarHBondContact CE-OG 3.28Å; K1147-S1213 PolarHBondContact NZ-OG 2.88Å; N1209-S1213 VanDerWaalsContact O-CB 3.28Å; N1209-S1213 WeakPolarHBondContact O-CB 3.13Å; N1209-S1213 PolarHBondContact O-N 3.22Å; N1209-S1213 PolarHBondContact O-OG 3.48Å; K1210-S1213 PolarHBondContact O-N 3.3Å; V1211-S1213 VanDerWaalsContact C-N 3.33Å; V1211-S1213 PolarHBondContact O-N 3.5Å; S1213-Y1216 PolarHBondContact O-N 3.49Å; S1213-V1217 WeakPolarHBondContact O-CG2 3.42Å; S1213-V1217 PolarHBondContact O-N 3.22Å
1214I83.2Confident75.6Confident0 Ų032.7 Ų32.70%018%0.178CC..Hα-helixtrans-64-46177.7-67.7165.8000110.7T1202 K1210 V1211 Y1216 V1217 I1218 A1274 L1278T1202-I1214 HydrophobicContact CG2-CG1 4.24Å; K1210-I1214 VanDerWaalsContact O-CG1 3.25Å; K1210-I1214 WeakPolarHBondContact O-CG1 3.32Å; K1210-I1214 PolarHBondContact O-N 3.21Å; V1211-I1214 PolarHBondContact O-N 2.86Å; I1214-Y1216 VanDerWaalsContact C-N 3.35Å; I1214-Y1216 PolarHBondContact O-N 3.39Å; I1214-V1217 PolarHBondContact O-N 3.01Å; I1214-I1218 HydrophobicContact CG2-CD1 3.99Å; I1214-I1218 WeakPolarHBondContact O-CG1 3.49Å; I1214-I1218 PolarHBondContact O-N 2.78Å; I1214-A1274 HydrophobicContact CB-CB 4.22Å; I1214-A1274 HydrophobicContact CD1-CB 4.28Å; I1214-A1274 HydrophobicContact CG2-CB 4Å; I1214-A1274 WeakPolarHBondContact CG2-O 3.41Å; I1214-L1278 HydrophobicContact CG2-CB 3.74Å; I1214-L1278 HydrophobicContact CG2-CD2 4.15Å; I1214-L1278 HydrophobicContact CG2-CG 4.4Å
1215L81.1Confident75Confident39 Ų3932.9 Ų32.920%0.20418%0.179CC..Hα-helixtrans-61.8-41176.9-72.6176.2000112.2Y1151 V1211 M1212 I1218 N1219Y1151-L1215 VanDerWaalsContact CD2-C 3.49Å; Y1151-L1215 HydrophobicContact CD2-CB 3.62Å; Y1151-L1215 VanDerWaalsContact CD2-O 3.29Å; Y1151-L1215 WeakPolarHBondContact CD2-O 3.19Å; Y1151-L1215 HydrophobicContact CE2-CB 3.66Å; Y1151-L1215 HydrophobicContact CE2-CD2 4.25Å; Y1151-L1215 HydrophobicContact CE2-CG 4.39Å; Y1151-L1215 HydrophobicContact CG-CB 4.28Å; V1211-L1215 HydrophobicContact CG1-CD1 3.82Å; V1211-L1215 HydrophobicContact CG1-CG 4.35Å; V1211-L1215 WeakPolarHBondContact O-CB 3.33Å; V1211-L1215 VanDerWaalsContact O-CG 3.3Å; V1211-L1215 WeakPolarHBondContact O-CG 3.22Å; V1211-L1215 PolarHBondContact O-N 3.45Å; M1212-L1215 HydrophobicContact CE-CD1 4.09Å; M1212-L1215 HydrophobicContact SD-CD1 4.23Å; L1215-I1218 HydrophobicContact CD2-CD1 4.35Å; L1215-I1218 WeakPolarHBondContact O-CB 3.47Å; L1215-I1218 PolarHBondContact O-N 2.96Å; L1215-N1219 PolarHBondContact O-N 3.5Å
1216Y76.4Confident74.4Confident2 Ų236.2 Ų36.21%0.00820%0.198CC..Hα-helixtrans-59.9-46.9173.9169.8-107.6000111.8H1130 V1150 T1198 M1212 S1213 I1214 I1218 N1219 V1220H1130-Y1216 PolarHBondContact NE2-OH 3.46Å; H1130-Y1216 VanDerWaalsContact NE2-OH 3.12Å; V1150-Y1216 HydrophobicContact CB-CD2 4.17Å; V1150-Y1216 HydrophobicContact CB-CE2 4.18Å; V1150-Y1216 HydrophobicContact CG1-CD2 3.7Å; V1150-Y1216 HydrophobicContact CG1-CE2 3.29Å; T1198-Y1216 HydrophobicContact CG2-CE1 4.41Å; M1212-Y1216 VanDerWaalsContact O-CB 3.3Å; M1212-Y1216 WeakPolarHBondContact O-CB 3.36Å; M1212-Y1216 PolarHBondContact O-N 3.3Å; S1213-Y1216 PolarHBondContact O-N 3.49Å; I1214-Y1216 VanDerWaalsContact C-N 3.35Å; I1214-Y1216 PolarHBondContact O-N 3.39Å; Y1216-I1218 VanDerWaalsContact C-N 3.29Å; Y1216-I1218 PolarHBondContact O-N 3.43Å; Y1216-N1219 PolarHBondContact O-N 2.94Å; Y1216-V1220 HydrophobicContact CD2-CG2 4.18Å; Y1216-V1220 HydrophobicContact CE1-CG2 4.2Å; Y1216-V1220 HydrophobicContact CE2-CG2 3.67Å; Y1216-V1220 WeakPolarHBondContact O-CG2 3.29Å; Y1216-V1220 PolarHBondContact O-N 3.34Å
1217V78.6Confident73.8Confident2 Ų233.1 Ų33.11%0.01218%0.183CC..Hα-helixtrans-60.1-40.4176.51730000111.3L1199 T1202 S1213 I1214 V1220 F1221 L1278L1199-V1217 HydrophobicContact CD2-CG2 4.12Å; T1202-V1217 HydrophobicContact CG2-CG2 4.21Å; S1213-V1217 WeakPolarHBondContact O-CG2 3.42Å; S1213-V1217 PolarHBondContact O-N 3.22Å; I1214-V1217 PolarHBondContact O-N 3.01Å; V1217-V1220 PolarHBondContact O-N 2.8Å; V1217-F1221 WeakPolarHBondContact O-CB 3.44Å; V1217-F1221 PolarHBondContact O-N 3.23Å; V1217-L1278 HydrophobicContact CB-CD1 4.49Å; V1217-L1278 HydrophobicContact CG1-CD1 3.87Å
1218I78.4Confident73.3Confident10 Ų1034.1 Ų34.15%0.05118%0.182CC..Hα-helixtrans-57.9-49.9175.3-74.1164.4000111.5I1214 L1215 Y1216 V1220 F1221 E1222 A1277 L1278 N1281I1214-I1218 HydrophobicContact CG2-CD1 3.99Å; I1214-I1218 WeakPolarHBondContact O-CG1 3.49Å; I1214-I1218 PolarHBondContact O-N 2.78Å; L1215-I1218 HydrophobicContact CD2-CD1 4.35Å; L1215-I1218 WeakPolarHBondContact O-CB 3.47Å; L1215-I1218 PolarHBondContact O-N 2.96Å; Y1216-I1218 VanDerWaalsContact C-N 3.29Å; Y1216-I1218 PolarHBondContact O-N 3.43Å; I1218-V1220 VanDerWaalsContact C-N 3.34Å; I1218-V1220 PolarHBondContact O-N 3.4Å; I1218-F1221 VanDerWaalsContact O-CB 3.26Å; I1218-F1221 WeakPolarHBondContact O-CB 3.25Å; I1218-F1221 PolarHBondContact O-N 3.03Å; I1218-F1221 VanDerWaalsContact O-N 3.13Å; I1218-E1222 PolarHBondContact O-N 3.12Å; I1218-E1222 VanDerWaalsContact O-N 3.11Å; I1218-A1277 HydrophobicContact CD1-CB 3.84Å; I1218-L1278 HydrophobicContact CD1-CB 4.15Å; I1218-L1278 HydrophobicContact CG1-CB 4.18Å; I1218-L1278 HydrophobicContact CG1-CD1 3.91Å; I1218-N1281 WeakPolarHBondContact CG2-ND2 3.38Å
1219N72Confident73Confident6 Ų632.9 Ų32.93%0.03218%0.181CC..Hα-helixtrans-64.8-38.2-179.6-81.84.7000112.8Y1151 T1154 S1155 L1158 L1215 Y1216 F1221 E1222 L1223Y1151-N1219 HydrophobicContact CD2-CB 4.3Å; Y1151-N1219 VanDerWaalsContact CD2-CG 3.43Å; Y1151-N1219 WeakPolarHBondContact CD2-ND2 3.44Å; Y1151-N1219 WeakPolarHBondContact CE2-ND2 3.5Å; Y1151-N1219 WeakPolarHBondContact CE2-OD1 3.06Å; Y1151-N1219 PolarHBondContact O-ND2 3.02Å; T1154-N1219 VanDerWaalsContact OG1-CB 3.3Å; T1154-N1219 WeakPolarHBondContact OG1-CB 3.45Å; T1154-N1219 PolarHBondContact OG1-ND2 3.11Å; S1155-N1219 PolarHBondContact N-ND2 3.36Å; S1155-N1219 PolarHBondContact OG-ND2 3.34Å; L1158-N1219 HydrophobicContact CD1-CB 4.31Å; L1215-N1219 PolarHBondContact O-N 3.5Å; Y1216-N1219 PolarHBondContact O-N 2.94Å; N1219-F1221 VanDerWaalsContact C-N 3.26Å; N1219-F1221 PolarHBondContact O-N 3.32Å; N1219-E1222 PolarHBondContact O-N 3.09Å; N1219-L1223 WeakPolarHBondContact O-CG 3.01Å; N1219-L1223 PolarHBondContact O-N 3.1Å; N1219-L1223 VanDerWaalsContact O-N 3.1Å
1220V71.4Confident72.7Confident4 Ų439.4 Ų39.42%0.02421%0.209CC..Hα-helixtrans-63.3-37.8175176.60000110.4C1191 I1194 Y1216 V1217 I1218 E1222 L1223 L1231C1191-V1220 HydrophobicContact CB-CG1 4.23Å; I1194-V1220 HydrophobicContact CD1-CB 4.26Å; I1194-V1220 HydrophobicContact CD1-CG1 3.78Å; I1194-V1220 HydrophobicContact CG1-CG1 4.22Å; Y1216-V1220 HydrophobicContact CD2-CG2 4.18Å; Y1216-V1220 HydrophobicContact CE1-CG2 4.2Å; Y1216-V1220 HydrophobicContact CE2-CG2 3.67Å; Y1216-V1220 WeakPolarHBondContact O-CG2 3.29Å; Y1216-V1220 PolarHBondContact O-N 3.34Å; V1217-V1220 PolarHBondContact O-N 2.8Å; I1218-V1220 VanDerWaalsContact C-N 3.34Å; I1218-V1220 PolarHBondContact O-N 3.4Å; V1220-E1222 VanDerWaalsContact C-N 3.32Å; V1220-E1222 PolarHBondContact O-N 3.44Å; V1220-L1223 PolarHBondContact O-N 2.84Å; V1220-L1231 HydrophobicContact CG1-CD2 4.49Å
1221F73.3Confident72.2Confident9 Ų937.5 Ų37.54%0.03920%0.201CC..Hα-helixtrans-63.1-34.8176-157.9-86.8000112.9V1217 I1218 N1219 K1228 L1231 L1232 N1281 I1282V1217-F1221 WeakPolarHBondContact O-CB 3.44Å; V1217-F1221 PolarHBondContact O-N 3.23Å; I1218-F1221 VanDerWaalsContact O-CB 3.26Å; I1218-F1221 WeakPolarHBondContact O-CB 3.25Å; I1218-F1221 PolarHBondContact O-N 3.03Å; I1218-F1221 VanDerWaalsContact O-N 3.13Å; N1219-F1221 VanDerWaalsContact C-N 3.26Å; N1219-F1221 PolarHBondContact O-N 3.32Å; F1221-K1228 HydrophobicContact CD1-CG 4.47Å; F1221-K1228 HydrophobicContact CE1-CD 4.39Å; F1221-K1228 HydrophobicContact CE1-CG 4.29Å; F1221-K1228 HydrophobicContact CZ-CG 4.49Å; F1221-K1228 WeakPolarHBondContact O-CE 3.46Å; F1221-L1231 HydrophobicContact CB-CD2 4.26Å; F1221-L1231 HydrophobicContact CD2-CD2 3.6Å; F1221-L1231 HydrophobicContact CD2-CG 4.21Å; F1221-L1231 HydrophobicContact CE2-CD2 4.44Å; F1221-L1231 HydrophobicContact CG-CD2 4.38Å; F1221-L1232 HydrophobicContact CE2-CD1 4.45Å; F1221-L1232 HydrophobicContact CE2-CD2 3.68Å; F1221-L1232 HydrophobicContact CE2-CG 3.73Å; F1221-L1232 HydrophobicContact CZ-CD1 4.09Å; F1221-L1232 HydrophobicContact CZ-CD2 3.8Å; F1221-L1232 HydrophobicContact CZ-CG 3.86Å; F1221-N1281 WeakPolarHBondContact CE1-O 3.35Å; F1221-I1282 HydrophobicContact CE2-CG1 4.38Å
1222E69.7Low71.7Confident77 Ų7737.6 Ų37.636%0.3620%0.201SC..Hα-helixtrans-81.8-30179.9-70.3-176.3178.300113.8L1158 I1218 N1219 V1220 T1224 N1281L1158-E1222 HydrophobicContact CD1-CB 4.1Å; L1158-E1222 HydrophobicContact CD2-CB 3.77Å; I1218-E1222 PolarHBondContact O-N 3.12Å; I1218-E1222 VanDerWaalsContact O-N 3.11Å; N1219-E1222 PolarHBondContact O-N 3.09Å; V1220-E1222 VanDerWaalsContact C-N 3.32Å; V1220-E1222 PolarHBondContact O-N 3.44Å; E1222-T1224 PolarHBondContact O-N 3.31Å; E1222-N1281 PolarHBondContact OE1-ND2 3.47Å; E1222-N1281 PolarHBondContact OE1-OD1 3.31Å
1223L64.9Low71.4Confident38 Ų3839.3 Ų39.320%0.19922%0.216CC..Hα-helixtrans-69-28.3-172.2-87.2167.3000115.5T1154 L1157 L1158 N1219 V1220T1154-L1223 HydrophobicContact CG2-CD1 3.58Å; L1157-L1223 HydrophobicContact CB-CD2 3.87Å; L1158-L1223 HydrophobicContact CD1-CD2 4.46Å; L1158-L1223 HydrophobicContact CD1-CG 4.13Å; L1158-L1223 HydrophobicContact CD2-CD2 4.12Å; L1158-L1223 HydrophobicContact CD2-CG 4.2Å; L1158-L1223 HydrophobicContact CG-CD2 3.68Å; L1158-L1223 HydrophobicContact CG-CG 3.84Å; N1219-L1223 WeakPolarHBondContact O-CG 3.01Å; N1219-L1223 PolarHBondContact O-N 3.1Å; N1219-L1223 VanDerWaalsContact O-N 3.1Å; V1220-L1223 PolarHBondContact O-N 2.84Å
1224T61.6Low71.2Confident29 Ų2941.6 Ų41.618%0.17823%0.226CC..  trans-141.6105.4-170.548.30000113.3P1189 E1222 S1226 T1227 K1228P1189-T1224 HydrophobicContact CB-CG2 3.83Å; E1222-T1224 PolarHBondContact O-N 3.31Å; T1224-S1226 PolarHBondContact O-N 3.22Å; T1224-T1227 PolarHBondContact O-N 3.08Å; T1224-T1227 PolarHBondContact O-OG1 3.37Å; T1224-T1227 PolarHBondContact OG1-OG1 3.25Å; T1224-K1228 PolarHBondContact O-N 3.5Å
1225D62.5Low70.8Confident125 Ų12542 Ų4267%0.66823%0.228SC*.THydrogen-bonded Turntrans-59-28.6175.7-76.3-31.7000113.4K1228D1225-K1228 VanDerWaalsContact OD1-CE 3.31Å; D1225-K1228 WeakPolarHBondContact OD1-CE 3.41Å; D1225-K1228 IonicContact OD1-NZ 2.83Å; D1225-K1228 PolarHBondContact OD1-NZ 3.49Å
1226S59.6Low70.4Confident94 Ų9444.9 Ų44.966%0.65724%0.24SC*.THydrogen-bonded Turntrans-75.1-22.3-178.660.20000114.6T1224T1224-S1226 PolarHBondContact O-N 3.22Å
1227T62.2Low70.3Confident19 Ų1949.3 Ų49.312%0.11727%0.271CS..THydrogen-bonded Turntrans-99.8-16.5-178.171.30000113T1224 P1229 K1230 L1231T1224-T1227 PolarHBondContact O-N 3.08Å; T1224-T1227 PolarHBondContact O-OG1 3.37Å; T1224-T1227 PolarHBondContact OG1-OG1 3.25Å; T1227-P1229 VanDerWaalsContact C-CD 3.49Å; T1227-K1230 WeakPolarHBondContact O-CA 3.28Å; T1227-K1230 WeakPolarHBondContact O-CB 3.31Å; T1227-K1230 PolarHBondContact O-N 3.14Å; T1227-L1231 PolarHBondContact O-N 2.79Å
1228K68.6Low69.9Low63 Ų6354.3 Ų54.327%0.27429%0.294SS..Hα-helixtrans-42-51.3176.4-75.5179.9179.9170.70114.1F1221 T1224 D1225 K1230 L1231 L1232F1221-K1228 HydrophobicContact CD1-CG 4.47Å; F1221-K1228 HydrophobicContact CE1-CD 4.39Å; F1221-K1228 HydrophobicContact CE1-CG 4.29Å; F1221-K1228 HydrophobicContact CZ-CG 4.49Å; F1221-K1228 WeakPolarHBondContact O-CE 3.46Å; T1224-K1228 PolarHBondContact O-N 3.5Å; D1225-K1228 VanDerWaalsContact OD1-CE 3.31Å; D1225-K1228 WeakPolarHBondContact OD1-CE 3.41Å; D1225-K1228 IonicContact OD1-NZ 2.83Å; D1225-K1228 PolarHBondContact OD1-NZ 3.49Å; K1228-K1230 PolarHBondContact O-N 2.77Å; K1228-L1231 PolarHBondContact O-N 3.33Å; K1228-L1232 WeakPolarHBondContact O-CB 3.46Å; K1228-L1232 VanDerWaalsContact O-CG 3.29Å; K1228-L1232 WeakPolarHBondContact O-CG 3.31Å; K1228-L1232 PolarHBondContact O-N 3.39Å
1229P69.1Low69.9Low76 Ų7655.1 Ų55.149%0.49431%0.305SS..Hα-helixtrans-69.4-30.7-179.526-34000113.6T1227 S1233T1227-P1229 VanDerWaalsContact C-CD 3.49Å; P1229-S1233 WeakPolarHBondContact O-CB 3.21Å; P1229-S1233 PolarHBondContact O-N 3.11Å; P1229-S1233 PolarHBondContact O-OG 3.48Å
1230K71.3Confident70.4Confident137 Ų13756.3 Ų56.360%0.59631%0.309SS*.Hα-helixtrans-71.8-40.3176-69.4-175.7178.1-177.60111.8T1227 K1228 S1233 Q1234T1227-K1230 WeakPolarHBondContact O-CA 3.28Å; T1227-K1230 WeakPolarHBondContact O-CB 3.31Å; T1227-K1230 PolarHBondContact O-N 3.14Å; K1228-K1230 PolarHBondContact O-N 2.77Å; K1230-S1233 PolarHBondContact O-N 3.27Å; K1230-S1233 PolarHBondContact O-OG 3.47Å; K1230-Q1234 WeakPolarHBondContact O-CG 3.35Å; K1230-Q1234 PolarHBondContact O-N 2.93Å
1231L70.2Confident70.9Confident6 Ų656.4 Ų56.43%0.03131%0.31CS..Hα-helixtrans-69.4-41.8176.9-179.856.7000111.2I1194 V1220 F1221 T1227 K1228 S1233 Q1234 L1235I1194-L1231 HydrophobicContact CD1-CD1 3.34Å; I1194-L1231 HydrophobicContact CD1-CD2 3.92Å; I1194-L1231 HydrophobicContact CD1-CG 4.29Å; I1194-L1231 HydrophobicContact CG1-CD1 4.08Å; V1220-L1231 HydrophobicContact CG1-CD2 4.49Å; F1221-L1231 HydrophobicContact CB-CD2 4.26Å; F1221-L1231 HydrophobicContact CD2-CD2 3.6Å; F1221-L1231 HydrophobicContact CD2-CG 4.21Å; F1221-L1231 HydrophobicContact CE2-CD2 4.44Å; F1221-L1231 HydrophobicContact CG-CD2 4.38Å; T1227-L1231 PolarHBondContact O-N 2.79Å; K1228-L1231 PolarHBondContact O-N 3.33Å; L1231-S1233 VanDerWaalsContact C-N 3.3Å; L1231-S1233 PolarHBondContact O-N 3.17Å; L1231-Q1234 PolarHBondContact O-N 3.41Å; L1231-L1235 HydrophobicContact CD1-CD1 4.34Å; L1231-L1235 HydrophobicContact CD1-CG 4.29Å; L1231-L1235 HydrophobicContact CG-CD1 4.21Å; L1231-L1235 WeakPolarHBondContact O-CB 3.48Å; L1231-L1235 WeakPolarHBondContact O-CG 3.34Å; L1231-L1235 PolarHBondContact O-N 2.96Å
1232L73.4Confident71.4Confident24 Ų2462.7 Ų62.713%0.12633%0.334CS..Hα-helixtrans-59.8-40.9172.2-76.2173.3000111.6F1221 K1228 F1236 I1282F1221-L1232 HydrophobicContact CE2-CD1 4.45Å; F1221-L1232 HydrophobicContact CE2-CD2 3.68Å; F1221-L1232 HydrophobicContact CE2-CG 3.73Å; F1221-L1232 HydrophobicContact CZ-CD1 4.09Å; F1221-L1232 HydrophobicContact CZ-CD2 3.8Å; F1221-L1232 HydrophobicContact CZ-CG 3.86Å; K1228-L1232 WeakPolarHBondContact O-CB 3.46Å; K1228-L1232 VanDerWaalsContact O-CG 3.29Å; K1228-L1232 WeakPolarHBondContact O-CG 3.31Å; K1228-L1232 PolarHBondContact O-N 3.39Å; L1232-F1236 WeakPolarHBondContact O-CB 3.33Å; L1232-F1236 PolarHBondContact O-N 3.46Å; L1232-F1236 VanDerWaalsContact O-N 3.11Å; L1232-I1282 HydrophobicContact CD2-CG1 4.27Å; L1232-I1282 HydrophobicContact CD2-CG2 3.82Å
1233S74Confident72.1Confident66 Ų6662.2 Ų62.246%0.46233%0.332SS..Hα-helixtrans-68.4-39.2177.672.40000112.4P1229 K1230 L1231 F1236 S1237P1229-S1233 WeakPolarHBondContact O-CB 3.21Å; P1229-S1233 PolarHBondContact O-N 3.11Å; P1229-S1233 PolarHBondContact O-OG 3.48Å; K1230-S1233 PolarHBondContact O-N 3.27Å; K1230-S1233 PolarHBondContact O-OG 3.47Å; L1231-S1233 VanDerWaalsContact C-N 3.3Å; L1231-S1233 PolarHBondContact O-N 3.17Å; S1233-F1236 PolarHBondContact O-N 3.3Å; S1233-S1237 VanDerWaalsContact O-CB 3.25Å; S1233-S1237 WeakPolarHBondContact O-CB 3.42Å; S1233-S1237 PolarHBondContact O-N 3.17Å; S1233-S1237 PolarHBondContact O-OG 3.47Å
1234Q74Confident73Confident48 Ų4860.6 Ų60.622%0.22432%0.323CS..Hα-helixtrans-63.3-47173.4-79.3176.2-19.700112.6D1193 K1230 L1231 F1236 S1237 E1238D1193-Q1234 PolarHBondContact OD1-NE2 3.25Å; K1230-Q1234 WeakPolarHBondContact O-CG 3.35Å; K1230-Q1234 PolarHBondContact O-N 2.93Å; L1231-Q1234 PolarHBondContact O-N 3.41Å; Q1234-F1236 PolarHBondContact O-N 2.96Å; Q1234-S1237 PolarHBondContact O-OG 2.67Å; Q1234-E1238 PolarHBondContact O-N 2.87Å; Q1234-E1238 VanDerWaalsContact O-N 3.14Å
1235L74.9Confident74.1Confident8 Ų859.3 Ų59.34%0.04232%0.315CS..Hα-helixtrans-62-30.6178.1-74171.7000112.6L1199 L1231 Y1240 L1241 I1282L1199-L1235 HydrophobicContact CD2-CD2 3.74Å; L1231-L1235 HydrophobicContact CD1-CD1 4.34Å; L1231-L1235 HydrophobicContact CD1-CG 4.29Å; L1231-L1235 HydrophobicContact CG-CD1 4.21Å; L1231-L1235 WeakPolarHBondContact O-CB 3.48Å; L1231-L1235 WeakPolarHBondContact O-CG 3.34Å; L1231-L1235 PolarHBondContact O-N 2.96Å; L1235-Y1240 PolarHBondContact O-N 3.12Å; L1235-L1241 PolarHBondContact O-N 3.15Å; L1235-I1282 HydrophobicContact CD1-CD1 4.34Å
1236F73Confident75.1Confident100 Ų10055.4 Ų55.444%0.43930%0.295SS..Hα-helixtrans-84.8-46.3178.4-166.3-94.1000112.7L1232 S1233 Q1234 E1238 G1239 A1291L1232-F1236 WeakPolarHBondContact O-CB 3.33Å; L1232-F1236 PolarHBondContact O-N 3.46Å; L1232-F1236 VanDerWaalsContact O-N 3.11Å; S1233-F1236 PolarHBondContact O-N 3.3Å; Q1234-F1236 PolarHBondContact O-N 2.96Å; F1236-E1238 PolarHBondContact O-N 3.34Å; F1236-G1239 PolarHBondContact O-N 3.03Å; F1236-A1291 HydrophobicContact CD2-CB 4.3Å; F1236-A1291 HydrophobicContact CE2-CB 4.31Å
1237S73.1Confident76.2Confident94 Ų9454.2 Ų54.266%0.65728%0.279SS*.Hα-helixtrans-68.1-34.8-176.163.80000112.9S1233 Q1234S1233-S1237 VanDerWaalsContact O-CB 3.25Å; S1233-S1237 WeakPolarHBondContact O-CB 3.42Å; S1233-S1237 PolarHBondContact O-N 3.17Å; S1233-S1237 PolarHBondContact O-OG 3.47Å; Q1234-S1237 PolarHBondContact O-OG 2.67Å
1238E71.5Confident77.2Confident107 Ų10753.3 Ų53.350%0.527%0.274SS..THydrogen-bonded Turntrans-89.8-0.6178.9-63.3-160.5-177.200113.5Q1234 F1236 Y1240Q1234-E1238 PolarHBondContact O-N 2.87Å; Q1234-E1238 VanDerWaalsContact O-N 3.14Å; F1236-E1238 PolarHBondContact O-N 3.34Å; E1238-Y1240 VanDerWaalsContact C-N 3.32Å; E1238-Y1240 HydrophobicContact CB-CD2 3.7Å; E1238-Y1240 HydrophobicContact CB-CE2 3.33Å; E1238-Y1240 HydrophobicContact CG-CE2 4.16Å; E1238-Y1240 PolarHBondContact O-N 3.31Å; E1238-Y1240 WeakPolarHBondContact OE2-CE2 3.41Å; E1238-Y1240 PolarHBondContact OE2-OH 2.92Å
1239G78.2Confident77.8Confident28 Ų2852.3 Ų52.329%0.28927%0.274SS..SBendtrans76.17.4172.800000116.1F1236 L1241 Y1242 H1243F1236-G1239 PolarHBondContact O-N 3.03Å; G1239-L1241 VanDerWaalsContact C-N 3.33Å; G1239-L1241 PolarHBondContact O-N 3.36Å; G1239-Y1242 WeakPolarHBondContact O-CB 3.37Å; G1239-Y1242 PolarHBondContact O-N 3.17Å; G1239-H1243 PolarHBondContact O-N 3.4Å
1240Y81Confident78.2Confident30 Ų3051 Ų5112%0.11827%0.269CS..Hα-helixtrans-61.2-40.7176.5-59.2-71.6000112.2L1199 T1200 L1235 E1238 Y1242 H1243 H1244L1199-Y1240 HydrophobicContact CB-CD1 4.23Å; L1199-Y1240 HydrophobicContact CB-CD2 4.07Å; L1199-Y1240 HydrophobicContact CB-CE1 3.94Å; L1199-Y1240 HydrophobicContact CB-CE2 3.74Å; L1199-Y1240 HydrophobicContact CB-CG 4.31Å; L1199-Y1240 HydrophobicContact CD1-CD2 4.03Å; L1199-Y1240 HydrophobicContact CD1-CE2 3.66Å; L1199-Y1240 HydrophobicContact CG-CE2 4.31Å; T1200-Y1240 HydrophobicContact CG2-CE1 4.05Å; L1235-Y1240 PolarHBondContact O-N 3.12Å; E1238-Y1240 VanDerWaalsContact C-N 3.32Å; E1238-Y1240 HydrophobicContact CB-CD2 3.7Å; E1238-Y1240 HydrophobicContact CB-CE2 3.33Å; E1238-Y1240 HydrophobicContact CG-CE2 4.16Å; E1238-Y1240 PolarHBondContact O-N 3.31Å; E1238-Y1240 WeakPolarHBondContact OE2-CE2 3.41Å; E1238-Y1240 PolarHBondContact OE2-OH 2.92Å; Y1240-Y1242 VanDerWaalsContact C-N 3.32Å; Y1240-Y1242 PolarHBondContact O-N 2.95Å; Y1240-H1243 WeakPolarHBondContact O-CB 3.3Å; Y1240-H1243 PolarHBondContact O-N 2.99Å; Y1240-H1244 PolarHBondContact O-CD2 2.98Å; Y1240-H1244 PolarHBondContact O-N 3.4Å
1241L82.1Confident78.5Confident7 Ų745.7 Ų45.74%0.03725%0.248CC..Hα-helixtrans-63.4-40.4177.6-168.464.9000111.4L1235 G1239 H1243 H1244 V1245 F1279 I1282 A1291 F1292 L1295L1235-L1241 PolarHBondContact O-N 3.15Å; G1239-L1241 VanDerWaalsContact C-N 3.33Å; G1239-L1241 PolarHBondContact O-N 3.36Å; L1241-H1243 VanDerWaalsContact C-N 3.35Å; L1241-H1243 PolarHBondContact O-N 3.31Å; L1241-H1244 PolarHBondContact O-N 2.77Å; L1241-V1245 WeakPolarHBondContact O-CG2 3.17Å; L1241-V1245 PolarHBondContact O-N 3.28Å; L1241-F1279 HydrophobicContact CD1-CE1 4.31Å; L1241-I1282 HydrophobicContact CD1-CD1 3.76Å; L1241-A1291 HydrophobicContact CD2-CB 4.27Å; L1241-F1292 HydrophobicContact CD1-CE1 3.76Å; L1241-F1292 HydrophobicContact CD1-CZ 4.04Å; L1241-F1292 HydrophobicContact CD2-CE1 4.33Å; L1241-F1292 HydrophobicContact CG-CE1 4.25Å; L1241-L1295 HydrophobicContact CB-CD1 4.28Å; L1241-L1295 HydrophobicContact CD2-CD1 3.63Å; L1241-L1295 HydrophobicContact CG-CD1 3.63Å
1242Y84.3Confident79.1Confident141 Ų14145.8 Ų45.855%0.55325%0.248SC*.Hα-helixtrans-62.2-41.4174.5177.3-97.8000111.8G1239 Y1240 N1246 L1295G1239-Y1242 WeakPolarHBondContact O-CB 3.37Å; G1239-Y1242 PolarHBondContact O-N 3.17Å; Y1240-Y1242 VanDerWaalsContact C-N 3.32Å; Y1240-Y1242 PolarHBondContact O-N 2.95Å; Y1242-N1246 WeakPolarHBondContact CD1-ND2 3.3Å; Y1242-N1246 WeakPolarHBondContact CE1-ND2 3.29Å; Y1242-N1246 WeakPolarHBondContact CE2-ND2 3.44Å; Y1242-N1246 WeakPolarHBondContact O-CB 3.4Å; Y1242-N1246 PolarHBondContact O-N 3.4Å; Y1242-N1246 VanDerWaalsContact O-N 3.09Å; Y1242-N1246 PolarHBondContact O-ND2 3.24Å; Y1242-N1246 PolarHBondContact OH-ND2 2.91Å; Y1242-L1295 HydrophobicContact CD2-CD2 3.67Å; Y1242-L1295 HydrophobicContact CG-CD2 4.35Å
1243H84.8Confident79.4Confident66 Ų6649.5 Ų49.531%0.30627%0.268SS..Hα-helixtrans-62-47.8174.7-175.1-83.5000111.8C1203 G1239 Y1240 L1241 V1245 N1246 M1247C1203-H1243 PolarHBondContact SG-ND1 3.25Å; C1203-H1243 VanDerWaalsContact SG-ND1 3.44Å; G1239-H1243 PolarHBondContact O-N 3.4Å; Y1240-H1243 WeakPolarHBondContact O-CB 3.3Å; Y1240-H1243 PolarHBondContact O-N 2.99Å; L1241-H1243 VanDerWaalsContact C-N 3.35Å; L1241-H1243 PolarHBondContact O-N 3.31Å; H1243-V1245 PolarHBondContact O-N 3.08Å; H1243-N1246 PolarHBondContact O-N 2.89Å; H1243-M1247 WeakPolarHBondContact CE1-CE 3.36Å; H1243-M1247 WeakPolarHBondContact NE2-CE 2.97Å; H1243-M1247 VanDerWaalsContact O-CG 3.26Å; H1243-M1247 WeakPolarHBondContact O-CG 3.42Å; H1243-M1247 PolarHBondContact O-N 3.03Å
1244H84.3Confident79.7Confident4 Ų449.7 Ų49.72%0.01926%0.263CS..Hα-helixtrans-60.2-40.7178.5-80.7-66.1000113.3T1202 Y1240 L1241 M1247 R1275 F1279T1202-H1244 PolarHBondContact O-CE1 2.95Å; T1202-H1244 PolarHBondContact OG1-NE2 3.43Å; Y1240-H1244 PolarHBondContact O-CD2 2.98Å; Y1240-H1244 PolarHBondContact O-N 3.4Å; L1241-H1244 PolarHBondContact O-N 2.77Å; H1244-M1247 PolarHBondContact O-N 2.96Å; H1244-R1275 PolarHBondContact ND1-NE 3.11Å; H1244-F1279 HydrophobicContact CB-CE1 3.91Å; H1244-F1279 HydrophobicContact CB-CZ 4Å
1245V84.2Confident79.9Confident2 Ų247.5 Ų47.51%0.01225%0.253CS..Hα-helixtrans-67.3-37.9176.9173.80000111.6L1241 H1243 M1247 F1279 F1292 L1295 L1297 R1300L1241-V1245 WeakPolarHBondContact O-CG2 3.17Å; L1241-V1245 PolarHBondContact O-N 3.28Å; H1243-V1245 PolarHBondContact O-N 3.08Å; V1245-M1247 VanDerWaalsContact C-N 3.33Å; V1245-M1247 PolarHBondContact O-N 3.06Å; V1245-F1279 HydrophobicContact CG2-CE1 4.48Å; V1245-F1279 HydrophobicContact CG2-CZ 4.19Å; V1245-F1292 HydrophobicContact CG2-CD1 4.3Å; V1245-F1292 HydrophobicContact CG2-CE1 4.26Å; V1245-L1295 HydrophobicContact CG1-CB 4.48Å; V1245-L1295 HydrophobicContact CG2-CB 4.44Å; V1245-L1295 HydrophobicContact CG2-CD1 4.19Å; V1245-L1297 HydrophobicContact CG1-CD1 4.05Å; V1245-L1297 HydrophobicContact CG2-CD1 4.21Å; V1245-R1300 HydrophobicContact CG1-CG 3.9Å
1246N83.8Confident80.2Confident44 Ų4449 Ų4924%0.23526%0.261CS..Hα-helixtrans-77-14.4178.5-76.7-30.4000114.7Y1242 H1243 P1249 R1300Y1242-N1246 WeakPolarHBondContact CD1-ND2 3.3Å; Y1242-N1246 WeakPolarHBondContact CE1-ND2 3.29Å; Y1242-N1246 WeakPolarHBondContact CE2-ND2 3.44Å; Y1242-N1246 WeakPolarHBondContact O-CB 3.4Å; Y1242-N1246 PolarHBondContact O-N 3.4Å; Y1242-N1246 VanDerWaalsContact O-N 3.09Å; Y1242-N1246 PolarHBondContact O-ND2 3.24Å; Y1242-N1246 PolarHBondContact OH-ND2 2.91Å; H1243-N1246 PolarHBondContact O-N 2.89Å; N1246-P1249 VanDerWaalsContact O-CD 3.23Å; N1246-P1249 WeakPolarHBondContact O-CD 3.05Å; N1246-R1300 PolarHBondContact OD1-NE 2.98Å; N1246-R1300 PolarHBondContact OD1-NH2 3.38Å
1247M82.4Confident80.4Confident68 Ų6847.1 Ų47.134%0.33526%0.256SS..Hα-helixtrans-82.4-16.3176.2-72.9-64.2157.200113.5H1243 H1244 V1245 P1249 A1250 D1251H1243-M1247 WeakPolarHBondContact CE1-CE 3.36Å; H1243-M1247 WeakPolarHBondContact NE2-CE 2.97Å; H1243-M1247 VanDerWaalsContact O-CG 3.26Å; H1243-M1247 WeakPolarHBondContact O-CG 3.42Å; H1243-M1247 PolarHBondContact O-N 3.03Å; H1244-M1247 PolarHBondContact O-N 2.96Å; V1245-M1247 VanDerWaalsContact C-N 3.33Å; V1245-M1247 PolarHBondContact O-N 3.06Å; M1247-P1249 VanDerWaalsContact C-CD 3.47Å; M1247-A1250 WeakPolarHBondContact O-CB 3.15Å; M1247-A1250 PolarHBondContact O-N 3.01Å; M1247-D1251 PolarHBondContact O-N 3.4Å
1248L82.9Confident80.5Confident0 Ų043.4 Ų43.40%023%0.229CC..Hα-helixtrans-52.6-43178.2-69.9168.6000114.1A1250 D1251 D1252 F1279 L1297 R1300 L1301 M1304L1248-A1250 VanDerWaalsContact C-N 3.34Å; L1248-A1250 PolarHBondContact O-N 3.06Å; L1248-D1251 PolarHBondContact O-N 3.25Å; L1248-D1252 PolarHBondContact O-N 3.35Å; L1248-D1252 VanDerWaalsContact O-N 3.14Å; L1248-F1279 HydrophobicContact CD1-CE2 4.08Å; L1248-F1279 HydrophobicContact CD2-CE2 4.22Å; L1248-F1279 HydrophobicContact CG-CE2 4.42Å; L1248-L1297 HydrophobicContact CD1-CD1 3.55Å; L1248-R1300 HydrophobicContact CD1-CB 4.18Å; L1248-L1301 HydrophobicContact CD1-CD2 4.44Å; L1248-M1304 HydrophobicContact CB-SD 4.08Å; L1248-M1304 HydrophobicContact CD2-SD 4.23Å
1249P80.6Confident80.6Confident42 Ų4239.2 Ų39.227%0.27321%0.209SC..Hα-helixtrans-68.9-28.7176.8-18.233.3000113.7N1246 M1247 D1252N1246-P1249 VanDerWaalsContact O-CD 3.23Å; N1246-P1249 WeakPolarHBondContact O-CD 3.05Å; M1247-P1249 VanDerWaalsContact C-CD 3.47Å; P1249-D1252 WeakPolarHBondContact O-CB 3.28Å
1250A78.3Confident80.3Confident49 Ų4940.6 Ų40.641%0.40522%0.215SC..Hα-helixtrans-72.4-40.4176.800000110.8M1247 L1248 D1252 N1253M1247-A1250 WeakPolarHBondContact O-CB 3.15Å; M1247-A1250 PolarHBondContact O-N 3.01Å; L1248-A1250 VanDerWaalsContact C-N 3.34Å; L1248-A1250 PolarHBondContact O-N 3.06Å; A1250-D1252 VanDerWaalsContact C-N 3.26Å; A1250-D1252 PolarHBondContact O-N 2.96Å; A1250-N1253 PolarHBondContact O-N 3.06Å
1251D77Confident79.5Confident26 Ų2645.2 Ų45.214%0.13924%0.237CC..Hα-helixtrans-67.2-26.7176-70.4-14.9000112.5M1247 L1248 N1253 L1254 L1255 R1275M1247-D1251 PolarHBondContact O-N 3.4Å; L1248-D1251 PolarHBondContact O-N 3.25Å; D1251-N1253 VanDerWaalsContact C-N 3.26Å; D1251-N1253 PolarHBondContact O-N 3.28Å; D1251-L1254 PolarHBondContact O-N 3.36Å; D1251-L1254 VanDerWaalsContact O-N 3.14Å; D1251-L1255 WeakPolarHBondContact O-CB 3.44Å; D1251-L1255 VanDerWaalsContact O-CG 3.28Å; D1251-L1255 WeakPolarHBondContact O-CG 3.49Å; D1251-L1255 PolarHBondContact O-N 3.47Å; D1251-R1275 IonicContact OD2-CZ 3.43Å; D1251-R1275 IonicContact OD2-NH1 3.76Å; D1251-R1275 PolarHBondContact OD2-NH1 3.01Å; D1251-R1275 IonicContact OD2-NH2 3.42Å; D1251-R1275 PolarHBondContact OD2-NH2 2.63Å
1252D82.5Confident78.5Confident8 Ų852.7 Ų52.74%0.04327%0.269CS..Hα-helixtrans-56.1-39.9175.3-163.450.5000112.1L1248 P1249 A1250 L1255 L1256 M1304 K1305 S1306L1248-D1252 PolarHBondContact O-N 3.35Å; L1248-D1252 VanDerWaalsContact O-N 3.14Å; P1249-D1252 WeakPolarHBondContact O-CB 3.28Å; A1250-D1252 VanDerWaalsContact C-N 3.26Å; A1250-D1252 PolarHBondContact O-N 2.96Å; D1252-L1255 PolarHBondContact O-N 3.47Å; D1252-L1256 WeakPolarHBondContact O-CB 3.24Å; D1252-L1256 WeakPolarHBondContact O-CG 2.96Å; D1252-L1256 PolarHBondContact O-N 3.04Å; D1252-M1304 HydrophobicContact CB-CE 4.15Å; D1252-M1304 HydrophobicContact CB-CG 4.44Å; D1252-K1305 VanDerWaalsContact CG-N 3.32Å; D1252-K1305 PolarHBondContact OD1-N 3.19Å; D1252-K1305 VanDerWaalsContact OD1-N 3.13Å; D1252-K1305 PolarHBondContact OD2-N 2.95Å; D1252-S1306 WeakPolarHBondContact OD1-CB 3.25Å; D1252-S1306 PolarHBondContact OD1-N 3.28Å; D1252-S1306 PolarHBondContact OD1-OG 3.47Å
1253N81.6Confident77.4Confident102 Ų10250 Ų5055%0.54526%0.263SS..Hα-helixtrans-65.7-43.5177.1-66.9-39000111.8A1250 D1251 L1256 D1257A1250-N1253 PolarHBondContact O-N 3.06Å; D1251-N1253 VanDerWaalsContact C-N 3.26Å; D1251-N1253 PolarHBondContact O-N 3.28Å; N1253-L1256 PolarHBondContact O-N 3.13Å; N1253-D1257 PolarHBondContact O-N 3.43Å
1254L78.6Confident76.4Confident69 Ų6956.9 Ų56.936%0.36129%0.292SS..Hα-helixtrans-65.5-40.7177.9-64.4173.8000111.3D1251 D1257 V1258 P1268D1251-L1254 PolarHBondContact O-N 3.36Å; D1251-L1254 VanDerWaalsContact O-N 3.14Å; L1254-D1257 PolarHBondContact O-N 3.15Å; L1254-V1258 WeakPolarHBondContact O-CG2 3.25Å; L1254-V1258 PolarHBondContact O-N 2.86Å; L1254-V1258 VanDerWaalsContact O-N 3.11Å; L1254-P1268 HydrophobicContact CB-CB 4.06Å; L1254-P1268 HydrophobicContact CD1-CB 4.45Å
1255L79.7Confident75.7Confident3 Ų358.7 Ų58.72%0.01630%0.302CS..Hα-helixtrans-64.6-41.4175.8-68.6171.2000111.2D1251 D1252 D1257 V1258 F1259 F1269 H1272 M1304D1251-L1255 WeakPolarHBondContact O-CB 3.44Å; D1251-L1255 VanDerWaalsContact O-CG 3.28Å; D1251-L1255 WeakPolarHBondContact O-CG 3.49Å; D1251-L1255 PolarHBondContact O-N 3.47Å; D1252-L1255 PolarHBondContact O-N 3.47Å; L1255-D1257 VanDerWaalsContact C-N 3.31Å; L1255-D1257 PolarHBondContact O-N 3.49Å; L1255-V1258 PolarHBondContact O-N 3.33Å; L1255-F1259 HydrophobicContact CB-CD2 4.42Å; L1255-F1259 HydrophobicContact CB-CE2 4.2Å; L1255-F1259 WeakPolarHBondContact O-CD2 3.48Å; L1255-F1259 WeakPolarHBondContact O-CG 3.39Å; L1255-F1259 PolarHBondContact O-N 3.39Å; L1255-F1269 HydrophobicContact CD2-CB 4.32Å; L1255-F1269 HydrophobicContact CD2-CD2 3.48Å; L1255-F1269 VanDerWaalsContact CD2-CD2 3.48Å; L1255-F1269 HydrophobicContact CD2-CE2 4.09Å; L1255-F1269 HydrophobicContact CD2-CG 4.23Å; L1255-H1272 HydrophobicContact CD1-CB 4.33Å; L1255-H1272 HydrophobicContact CD2-CB 4.35Å; L1255-M1304 HydrophobicContact CD1-CE 3.94Å
1256L81Confident75.3Confident40 Ų4061 Ų6121%0.20932%0.316CS..Hα-helixtrans-63.3-35.1174.9-72.4168.5000112.5D1252 N1253 F1259 S1260 K1305 Y1309D1252-L1256 WeakPolarHBondContact O-CB 3.24Å; D1252-L1256 WeakPolarHBondContact O-CG 2.96Å; D1252-L1256 PolarHBondContact O-N 3.04Å; N1253-L1256 PolarHBondContact O-N 3.13Å; L1256-F1259 PolarHBondContact O-N 3.49Å; L1256-S1260 VanDerWaalsContact O-CB 3.26Å; L1256-S1260 WeakPolarHBondContact O-CB 3.02Å; L1256-S1260 PolarHBondContact O-N 2.91Å; L1256-S1260 PolarHBondContact O-OG 2.75Å; L1256-K1305 HydrophobicContact CD1-CB 4.31Å; L1256-Y1309 HydrophobicContact CD2-CD2 3.63Å; L1256-Y1309 HydrophobicContact CD2-CE2 3.59Å
1257D77.8Confident75.1Confident59 Ų5965.2 Ų65.232%0.31633%0.329SS..Hα-helixtrans-68.4-36174.8-74.9-23.2000112.4N1253 L1254 L1255 S1260 K1262 M1263N1253-D1257 PolarHBondContact O-N 3.43Å; L1254-D1257 PolarHBondContact O-N 3.15Å; L1255-D1257 VanDerWaalsContact C-N 3.31Å; L1255-D1257 PolarHBondContact O-N 3.49Å; D1257-S1260 WeakPolarHBondContact CA-OG 2.99Å; D1257-S1260 PolarHBondContact O-OG 2.93Å; D1257-K1262 PolarHBondContact O-N 3.01Å; D1257-M1263 HydrophobicContact CB-CB 4.41Å; D1257-M1263 PolarHBondContact O-N 3.38Å
1258V74.7Confident74.8Confident16 Ų1662.8 Ų62.810%0.09732%0.318CS..Hα-helixtrans-66.1-45.4171.1176.30000110.9L1254 L1255 S1260 E1261 D1265 M1325L1254-V1258 WeakPolarHBondContact O-CG2 3.25Å; L1254-V1258 PolarHBondContact O-N 2.86Å; L1254-V1258 VanDerWaalsContact O-N 3.11Å; L1255-V1258 PolarHBondContact O-N 3.33Å; V1258-S1260 VanDerWaalsContact C-N 3.33Å; V1258-S1260 PolarHBondContact O-N 2.89Å; V1258-E1261 PolarHBondContact O-N 3.18Å; V1258-D1265 WeakPolarHBondContact CG2-O 3.39Å; V1258-M1325 HydrophobicContact CG1-CE 4.23Å
1259F73Confident74.8Confident19 Ų1962.9 Ų62.98%0.08332%0.318CS..Hα-helixtrans-71.7-23179.8-69.5-53.5000114.3L1255 L1256 E1261 F1269 L1310 F1313 M1325L1255-F1259 HydrophobicContact CB-CD2 4.42Å; L1255-F1259 HydrophobicContact CB-CE2 4.2Å; L1255-F1259 WeakPolarHBondContact O-CD2 3.48Å; L1255-F1259 WeakPolarHBondContact O-CG 3.39Å; L1255-F1259 PolarHBondContact O-N 3.39Å; L1256-F1259 PolarHBondContact O-N 3.49Å; F1259-E1261 VanDerWaalsContact C-N 3.28Å; F1259-F1269 HydrophobicContact CE1-CE2 4.1Å; F1259-F1269 HydrophobicContact CE2-CE2 4.34Å; F1259-F1269 HydrophobicContact CZ-CD2 4.39Å; F1259-F1269 AromaticContact CZ-CE2 3.58Å; F1259-F1269 HydrophobicContact CZ-CE2 3.58Å; F1259-F1269 HydrophobicContact CZ-CZ 4.45Å; F1259-L1310 HydrophobicContact CE1-CD2 4.16Å; F1259-L1310 HydrophobicContact CE2-CD2 4.39Å; F1259-L1310 HydrophobicContact CZ-CD2 3.52Å; F1259-L1310 HydrophobicContact CZ-CG 4.47Å; F1259-F1313 HydrophobicContact CB-CE2 4.09Å; F1259-F1313 AromaticContact CD1-CD2 3.66Å; F1259-F1313 HydrophobicContact CD1-CD2 3.66Å; F1259-F1313 AromaticContact CD1-CE2 3.43Å; F1259-F1313 HydrophobicContact CD1-CE2 3.43Å; F1259-F1313 VanDerWaalsContact CD1-CE2 3.43Å; F1259-F1313 HydrophobicContact CD1-CZ 4.27Å; F1259-F1313 AromaticContact CE1-CD2 3.97Å; F1259-F1313 HydrophobicContact CE1-CD2 3.97Å; F1259-F1313 HydrophobicContact CE1-CE2 4.22Å; F1259-F1313 HydrophobicContact CG-CE2 4.14Å; F1259-M1325 HydrophobicContact CD1-CE 3.78Å; F1259-M1325 HydrophobicContact CE1-CE 3.4Å; F1259-M1325 HydrophobicContact CZ-CE 4.33Å
1260S71.1Confident74.9Confident58 Ų5865.1 Ų65.141%0.40632%0.322SS..THydrogen-bonded Turntrans-87.25.9176.960.80000113.8L1256 D1257 V1258 K1262L1256-S1260 VanDerWaalsContact O-CB 3.26Å; L1256-S1260 WeakPolarHBondContact O-CB 3.02Å; L1256-S1260 PolarHBondContact O-N 2.91Å; L1256-S1260 PolarHBondContact O-OG 2.75Å; D1257-S1260 WeakPolarHBondContact CA-OG 2.99Å; D1257-S1260 PolarHBondContact O-OG 2.93Å; V1258-S1260 VanDerWaalsContact C-N 3.33Å; V1258-S1260 PolarHBondContact O-N 2.89Å; S1260-K1262 PolarHBondContact O-N 3.48Å; S1260-K1262 WeakPolarHBondContact OG-CG 3.37Å
1261E65.5Low75.2Confident127 Ų12763.2 Ų63.259%0.59331%0.305SS*.THydrogen-bonded Turntrans56.216.7-175.1-61.8179.2-179.300113.2V1258 F1259 R1316V1258-E1261 PolarHBondContact O-N 3.18Å; F1259-E1261 VanDerWaalsContact C-N 3.28Å; E1261-R1316 IonicContact OE1-NH1 2.85Å; E1261-R1316 PolarHBondContact OE1-NH1 3.24Å
1262K61.3Low75.6Confident164 Ų16462 Ų6271%0.71330%0.299SS*.SBendtrans-76.2-30174.6-71.9-177.8-1781770112D1257 S1260D1257-K1262 PolarHBondContact O-N 3.01Å; S1260-K1262 PolarHBondContact O-N 3.48Å; S1260-K1262 WeakPolarHBondContact OG-CG 3.37Å
1263M60Low75.8Confident85 Ų8563.7 Ų63.742%0.41931%0.307SS..  trans-113.8127.5174.2-105.4-163.3166.900111D1257 D1265D1257-M1263 HydrophobicContact CB-CB 4.41Å; D1257-M1263 PolarHBondContact O-N 3.38Å; M1263-D1265 PolarHBondContact O-N 2.96Å
1264F63.7Low76Confident210 Ų21059.1 Ų59.192%0.92128%0.284SS*.  trans-78.9-0.7172-73.4-79.5000113.7
1265D69.3Low76.5Confident42 Ų4256.3 Ų56.323%0.22527%0.268CS..  trans-99.4112.3-172-173.18.9000112.8V1258 M1263 R1267 P1268V1258-D1265 WeakPolarHBondContact CG2-O 3.39Å; M1263-D1265 PolarHBondContact O-N 2.96Å; D1265-R1267 VanDerWaalsContact C-N 3.33Å; D1265-R1267 VanDerWaalsContact OD1-CB 3.24Å; D1265-R1267 WeakPolarHBondContact OD1-CB 3.34Å; D1265-R1267 WeakPolarHBondContact OD1-CG 3.48Å; D1265-R1267 IonicContact OD1-CZ 2.96Å; D1265-R1267 PolarHBondContact OD1-N 2.91Å; D1265-R1267 IonicContact OD1-NE 2.91Å; D1265-R1267 PolarHBondContact OD1-NE 3.04Å; D1265-R1267 IonicContact OD1-NH2 3.71Å; D1265-R1267 IonicContact OD2-CZ 3.73Å; D1265-R1267 IonicContact OD2-NE 3.8Å; D1265-R1267 PolarHBondContact OD2-NE 2.87Å; D1265-R1267 IonicContact OD2-NH2 3.12Å; D1265-R1267 PolarHBondContact OD2-NH2 3.36Å; D1265-P1268 WeakPolarHBondContact O-CD 3.43Å
1266V76.1Confident76.8Confident49 Ų4956.2 Ų56.230%0.29727%0.268SS..  trans-82.5-9.1-179.5-1680000112.2P1268 F1269 Y1270 L1328V1266-P1268 VanDerWaalsContact C-CD 3.44Å; V1266-F1269 HydrophobicContact CG1-CB 3.98Å; V1266-F1269 WeakPolarHBondContact O-CA 3.44Å; V1266-F1269 WeakPolarHBondContact O-CB 3.42Å; V1266-F1269 PolarHBondContact O-N 3.42Å; V1266-Y1270 HydrophobicContact CB-CE2 4.29Å; V1266-Y1270 HydrophobicContact CG1-CD2 4.29Å; V1266-Y1270 HydrophobicContact CG1-CE2 3.85Å; V1266-L1328 HydrophobicContact CG1-CD1 4.19Å
1267R79.4Confident77.1Confident134 Ų13455.8 Ų55.851%0.50627%0.27SS..Hα-helixtrans-53.6-40.9-175.7-70.4176.3-67.9-1730.7114.8C1207 D1265 F1269 Y1270 V1271C1207-R1267 HydrophobicContact CB-CB 4Å; D1265-R1267 VanDerWaalsContact C-N 3.33Å; D1265-R1267 VanDerWaalsContact OD1-CB 3.24Å; D1265-R1267 WeakPolarHBondContact OD1-CB 3.34Å; D1265-R1267 WeakPolarHBondContact OD1-CG 3.48Å; D1265-R1267 IonicContact OD1-CZ 2.96Å; D1265-R1267 PolarHBondContact OD1-N 2.91Å; D1265-R1267 IonicContact OD1-NE 2.91Å; D1265-R1267 PolarHBondContact OD1-NE 3.04Å; D1265-R1267 IonicContact OD1-NH2 3.71Å; D1265-R1267 IonicContact OD2-CZ 3.73Å; D1265-R1267 IonicContact OD2-NE 3.8Å; D1265-R1267 PolarHBondContact OD2-NE 2.87Å; D1265-R1267 IonicContact OD2-NH2 3.12Å; D1265-R1267 PolarHBondContact OD2-NH2 3.36Å; R1267-F1269 PolarHBondContact O-N 3Å; R1267-Y1270 PolarHBondContact O-N 3.04Å; R1267-V1271 PolarHBondContact O-N 2.96Å
1268P77.7Confident77.5Confident16 Ų1653.3 Ų53.310%0.10426%0.257CS..Hα-helixtrans-59.5-32.6175.6-23.734.8000113.2L1254 D1265 V1266 Y1270 V1271 H1272L1254-P1268 HydrophobicContact CB-CB 4.06Å; L1254-P1268 HydrophobicContact CD1-CB 4.45Å; D1265-P1268 WeakPolarHBondContact O-CD 3.43Å; V1266-P1268 VanDerWaalsContact C-CD 3.44Å; P1268-Y1270 PolarHBondContact O-N 2.62Å; P1268-V1271 PolarHBondContact O-N 2.96Å; P1268-H1272 PolarHBondContact O-N 3.37Å
1269F81.5Confident78.2Confident2 Ų252.5 Ų52.51%0.00925%0.252CS..Hα-helixtrans-63.5-40.7178.1-158.9-88000112.2L1255 F1259 V1266 R1267 H1272 I1273 M1325 L1328 V1332L1255-F1269 HydrophobicContact CD2-CB 4.32Å; L1255-F1269 HydrophobicContact CD2-CD2 3.48Å; L1255-F1269 VanDerWaalsContact CD2-CD2 3.48Å; L1255-F1269 HydrophobicContact CD2-CE2 4.09Å; L1255-F1269 HydrophobicContact CD2-CG 4.23Å; F1259-F1269 HydrophobicContact CE1-CE2 4.1Å; F1259-F1269 HydrophobicContact CE2-CE2 4.34Å; F1259-F1269 HydrophobicContact CZ-CD2 4.39Å; F1259-F1269 AromaticContact CZ-CE2 3.58Å; F1259-F1269 HydrophobicContact CZ-CE2 3.58Å; F1259-F1269 HydrophobicContact CZ-CZ 4.45Å; V1266-F1269 HydrophobicContact CG1-CB 3.98Å; V1266-F1269 WeakPolarHBondContact O-CA 3.44Å; V1266-F1269 WeakPolarHBondContact O-CB 3.42Å; V1266-F1269 PolarHBondContact O-N 3.42Å; R1267-F1269 PolarHBondContact O-N 3Å; F1269-H1272 WeakPolarHBondContact O-CB 3.38Å; F1269-H1272 PolarHBondContact O-N 3.36Å; F1269-I1273 HydrophobicContact CD1-CD1 3.65Å; F1269-I1273 HydrophobicContact CD1-CG1 4.24Å; F1269-I1273 HydrophobicContact CE1-CD1 3.65Å; F1269-I1273 HydrophobicContact CE1-CG1 4.11Å; F1269-I1273 PolarHBondContact O-N 3.4Å; F1269-I1273 VanDerWaalsContact O-N 3.1Å; F1269-M1325 HydrophobicContact CD2-CE 4.23Å; F1269-M1325 HydrophobicContact CE2-CE 4.09Å; F1269-L1328 HydrophobicContact CD1-CB 4.1Å; F1269-L1328 HydrophobicContact CD1-CD1 4.18Å; F1269-L1328 HydrophobicContact CD1-CD2 4.22Å; F1269-L1328 HydrophobicContact CD1-CG 4.39Å; F1269-L1328 HydrophobicContact CE1-CB 3.52Å; F1269-L1328 HydrophobicContact CE1-CD1 4.43Å; F1269-L1328 HydrophobicContact CE1-CD2 4.25Å; F1269-L1328 HydrophobicContact CE1-CG 4.26Å; F1269-L1328 HydrophobicContact CZ-CB 4.22Å; F1269-V1332 HydrophobicContact CE1-CG2 3.76Å; F1269-V1332 HydrophobicContact CZ-CG2 3.7Å
1270Y83.4Confident78.8Confident90 Ų9052.6 Ų52.635%0.35325%0.253SS..Hα-helixtrans-68.1-34.7176.8-71.3-73.9000113V1266 R1267 P1268 H1272 I1273 A1274 L1328V1266-Y1270 HydrophobicContact CB-CE2 4.29Å; V1266-Y1270 HydrophobicContact CG1-CD2 4.29Å; V1266-Y1270 HydrophobicContact CG1-CE2 3.85Å; R1267-Y1270 PolarHBondContact O-N 3.04Å; P1268-Y1270 PolarHBondContact O-N 2.62Å; Y1270-H1272 VanDerWaalsContact C-N 3.29Å; Y1270-H1272 PolarHBondContact O-N 3.09Å; Y1270-I1273 PolarHBondContact O-N 3.01Å; Y1270-A1274 WeakPolarHBondContact O-CB 3.26Å; Y1270-A1274 PolarHBondContact O-N 3.18Å; Y1270-L1328 HydrophobicContact CE1-CD2 3.93Å
1271V85.2Confident79.3Confident8 Ų850.6 Ų50.65%0.04824%0.238CC..Hα-helixtrans-61.6-41.9173.8179.90000110.1C1207 K1210 V1211 R1267 P1268 A1274 R1275C1207-V1271 HydrophobicContact CB-CG2 3.69Å; K1210-V1271 HydrophobicContact CB-CG1 4.45Å; V1211-V1271 HydrophobicContact CG2-CB 4.3Å; V1211-V1271 HydrophobicContact CG2-CG2 3.79Å; R1267-V1271 PolarHBondContact O-N 2.96Å; P1268-V1271 PolarHBondContact O-N 2.96Å; V1271-A1274 PolarHBondContact O-N 3.23Å; V1271-R1275 WeakPolarHBondContact O-CB 2.85Å; V1271-R1275 PolarHBondContact O-N 3.33Å
1272H85.5Confident80.2Confident2 Ų244.6 Ų44.61%0.00921%0.21CC..Hα-helixtrans-64.3-45.5177.4-169.356000112.6L1255 P1268 F1269 Y1270 A1274 R1275 L1276 Y1307L1255-H1272 HydrophobicContact CD1-CB 4.33Å; L1255-H1272 HydrophobicContact CD2-CB 4.35Å; P1268-H1272 PolarHBondContact O-N 3.37Å; F1269-H1272 WeakPolarHBondContact O-CB 3.38Å; F1269-H1272 PolarHBondContact O-N 3.36Å; Y1270-H1272 VanDerWaalsContact C-N 3.29Å; Y1270-H1272 PolarHBondContact O-N 3.09Å; H1272-A1274 PolarHBondContact O-N 3.46Å; H1272-R1275 PolarHBondContact O-N 2.91Å; H1272-L1276 WeakPolarHBondContact O-CG 3.23Å; H1272-L1276 PolarHBondContact O-N 2.99Å; H1272-Y1307 AromaticContact NE2-CE1 3.89Å; H1272-Y1307 AromaticContact NE2-CZ 3.88Å; H1272-Y1307 PolarHBondContact NE2-OH 3.41Å
1273I84.9Confident81.2Confident42 Ų4237 Ų3722%0.21518%0.178CC..Hα-helixtrans-58.9-48.5175.1-68.3166000110.9F1269 Y1270 R1275 L1276 A1277 L1328 V1332F1269-I1273 HydrophobicContact CD1-CD1 3.65Å; F1269-I1273 HydrophobicContact CD1-CG1 4.24Å; F1269-I1273 HydrophobicContact CE1-CD1 3.65Å; F1269-I1273 HydrophobicContact CE1-CG1 4.11Å; F1269-I1273 PolarHBondContact O-N 3.4Å; F1269-I1273 VanDerWaalsContact O-N 3.1Å; Y1270-I1273 PolarHBondContact O-N 3.01Å; I1273-R1275 VanDerWaalsContact C-N 3.25Å; I1273-R1275 PolarHBondContact O-N 3.23Å; I1273-L1276 PolarHBondContact O-N 3.48Å; I1273-A1277 PolarHBondContact O-N 3.29Å; I1273-L1328 HydrophobicContact CD1-CD2 3.49Å; I1273-L1328 VanDerWaalsContact CD1-CD2 3.49Å; I1273-V1332 HydrophobicContact CD1-CG2 4.36Å; I1273-V1332 HydrophobicContact CG1-CG2 3.66Å
1274A86.4Confident82.2Confident7 Ų739 Ų396%0.05818%0.184CC..Hα-helixtrans-58.7-40.7179.700000111.2V1211 I1214 Y1270 V1271 H1272 A1277 L1278V1211-A1274 HydrophobicContact CG1-CB 4.22Å; V1211-A1274 HydrophobicContact CG2-CB 4.32Å; I1214-A1274 HydrophobicContact CB-CB 4.22Å; I1214-A1274 HydrophobicContact CD1-CB 4.28Å; I1214-A1274 HydrophobicContact CG2-CB 4Å; I1214-A1274 WeakPolarHBondContact CG2-O 3.41Å; Y1270-A1274 WeakPolarHBondContact O-CB 3.26Å; Y1270-A1274 PolarHBondContact O-N 3.18Å; V1271-A1274 PolarHBondContact O-N 3.23Å; H1272-A1274 PolarHBondContact O-N 3.46Å; A1274-A1277 PolarHBondContact O-N 3.33Å; A1274-L1278 PolarHBondContact O-N 3.03Å
1275R88.7Confident82.9Confident9 Ų930.3 Ų30.33%0.03415%0.149CC..Hα-helixtrans-66.3-42177-165.6179.3-59.3106.6-15.7112.8H1244 D1251 V1271 H1272 I1273 A1277 L1278 F1279H1244-R1275 PolarHBondContact ND1-NE 3.11Å; D1251-R1275 IonicContact OD2-CZ 3.43Å; D1251-R1275 IonicContact OD2-NH1 3.76Å; D1251-R1275 PolarHBondContact OD2-NH1 3.01Å; D1251-R1275 IonicContact OD2-NH2 3.42Å; D1251-R1275 PolarHBondContact OD2-NH2 2.63Å; V1271-R1275 WeakPolarHBondContact O-CB 2.85Å; V1271-R1275 PolarHBondContact O-N 3.33Å; H1272-R1275 PolarHBondContact O-N 2.91Å; I1273-R1275 VanDerWaalsContact C-N 3.25Å; I1273-R1275 PolarHBondContact O-N 3.23Å; R1275-A1277 VanDerWaalsContact C-N 3.31Å; R1275-A1277 PolarHBondContact O-N 3.48Å; R1275-L1278 WeakPolarHBondContact O-CB 3.4Å; R1275-L1278 PolarHBondContact O-N 3.39Å; R1275-F1279 HydrophobicContact CG-CE1 3.93Å; R1275-F1279 HydrophobicContact CG-CE2 3.91Å; R1275-F1279 HydrophobicContact CG-CZ 3.59Å; R1275-F1279 WeakPolarHBondContact O-CG 3.38Å; R1275-F1279 PolarHBondContact O-N 2.88Å
1276L87.5Confident83.4Confident1 Ų132.2 Ų32.21%0.00516%0.164CC..Hα-helixtrans-63.1-38.1174.6-70.7173.3000111.7H1272 I1273 F1279 L1280 V1332 A1335 V1336H1272-L1276 WeakPolarHBondContact O-CG 3.23Å; H1272-L1276 PolarHBondContact O-N 2.99Å; I1273-L1276 PolarHBondContact O-N 3.48Å; L1276-F1279 HydrophobicContact CD2-CD2 4.37Å; L1276-F1279 PolarHBondContact O-N 2.84Å; L1276-L1280 WeakPolarHBondContact O-CG 3.26Å; L1276-L1280 PolarHBondContact O-N 2.65Å; L1276-V1332 HydrophobicContact CD1-CG1 3.91Å; L1276-A1335 HydrophobicContact CB-CB 4.17Å; L1276-A1335 HydrophobicContact CD1-CB 4.43Å; L1276-V1336 HydrophobicContact CD1-CG2 3.96Å; L1276-V1336 HydrophobicContact CD2-CG2 4.04Å
1277A86Confident83.5Confident32 Ų3234.8 Ų34.826%0.26418%0.176SC..Hα-helixtrans-63.5-40.1174.300000112.2I1218 I1273 A1274 R1275 F1279 L1280 N1281I1218-A1277 HydrophobicContact CD1-CB 3.84Å; I1273-A1277 PolarHBondContact O-N 3.29Å; A1274-A1277 PolarHBondContact O-N 3.33Å; R1275-A1277 VanDerWaalsContact C-N 3.31Å; R1275-A1277 PolarHBondContact O-N 3.48Å; A1277-F1279 VanDerWaalsContact C-N 3.35Å; A1277-L1280 PolarHBondContact O-N 3.43Å; A1277-N1281 PolarHBondContact O-N 3.49Å
1278L87.3Confident83.5Confident6 Ų628.4 Ų28.43%0.03115%0.152CC..Hα-helixtrans-61.3-44.6172.7-179.267.2000111I1214 V1217 I1218 A1274 R1275 N1281 I1282I1214-L1278 HydrophobicContact CG2-CB 3.74Å; I1214-L1278 HydrophobicContact CG2-CD2 4.15Å; I1214-L1278 HydrophobicContact CG2-CG 4.4Å; V1217-L1278 HydrophobicContact CB-CD1 4.49Å; V1217-L1278 HydrophobicContact CG1-CD1 3.87Å; I1218-L1278 HydrophobicContact CD1-CB 4.15Å; I1218-L1278 HydrophobicContact CG1-CB 4.18Å; I1218-L1278 HydrophobicContact CG1-CD1 3.91Å; A1274-L1278 PolarHBondContact O-N 3.03Å; R1275-L1278 WeakPolarHBondContact O-CB 3.4Å; R1275-L1278 PolarHBondContact O-N 3.39Å; L1278-N1281 PolarHBondContact O-N 3.47Å; L1278-I1282 HydrophobicContact CD1-CD1 4.21Å; L1278-I1282 HydrophobicContact CG-CD1 4.03Å; L1278-I1282 WeakPolarHBondContact O-CG1 3.33Å; L1278-I1282 PolarHBondContact O-N 3.28Å
1279F88.6Confident83.5Confident0 Ų027.6 Ų27.60%015%0.147CC..Hα-helixtrans-63.2-42.1177.5-63.9-16.9000112.6L1241 H1244 V1245 L1248 R1275 L1276 A1277 N1281 I1282 A1283 F1292 L1297 L1339L1241-F1279 HydrophobicContact CD1-CE1 4.31Å; H1244-F1279 HydrophobicContact CB-CE1 3.91Å; H1244-F1279 HydrophobicContact CB-CZ 4Å; V1245-F1279 HydrophobicContact CG2-CE1 4.48Å; V1245-F1279 HydrophobicContact CG2-CZ 4.19Å; L1248-F1279 HydrophobicContact CD1-CE2 4.08Å; L1248-F1279 HydrophobicContact CD2-CE2 4.22Å; L1248-F1279 HydrophobicContact CG-CE2 4.42Å; R1275-F1279 HydrophobicContact CG-CE1 3.93Å; R1275-F1279 HydrophobicContact CG-CE2 3.91Å; R1275-F1279 HydrophobicContact CG-CZ 3.59Å; R1275-F1279 WeakPolarHBondContact O-CG 3.38Å; R1275-F1279 PolarHBondContact O-N 2.88Å; L1276-F1279 HydrophobicContact CD2-CD2 4.37Å; L1276-F1279 PolarHBondContact O-N 2.84Å; A1277-F1279 VanDerWaalsContact C-N 3.35Å; F1279-N1281 PolarHBondContact O-N 3.5Å; F1279-I1282 PolarHBondContact O-N 3.47Å; F1279-A1283 VanDerWaalsContact O-CB 3.26Å; F1279-A1283 WeakPolarHBondContact O-CB 3.49Å; F1279-A1283 PolarHBondContact O-N 3.44Å; F1279-F1292 HydrophobicContact CB-CE1 4.4Å; F1279-F1292 HydrophobicContact CB-CE2 4.22Å; F1279-F1292 HydrophobicContact CB-CZ 3.78Å; F1279-F1292 AromaticContact CD1-CE1 3.71Å; F1279-F1292 HydrophobicContact CD1-CE1 3.71Å; F1279-F1292 AromaticContact CD1-CZ 3.6Å; F1279-F1292 HydrophobicContact CD1-CZ 3.6Å; F1279-F1292 HydrophobicContact CE1-CE1 4.12Å; F1279-F1292 HydrophobicContact CE1-CZ 4.42Å; F1279-F1292 HydrophobicContact CG-CE1 4.07Å; F1279-F1292 AromaticContact CG-CZ 3.87Å; F1279-F1292 HydrophobicContact CG-CZ 3.87Å; F1279-F1292 VanDerWaalsContact O-CE2 3.31Å; F1279-F1292 WeakPolarHBondContact O-CE2 3.38Å; F1279-L1297 HydrophobicContact CE2-CD1 4.29Å; F1279-L1339 HydrophobicContact CB-CD1 4.03Å; F1279-L1339 HydrophobicContact CB-CD2 4.04Å; F1279-L1339 HydrophobicContact CD2-CD2 4.4Å
1280L85.5Confident83.5Confident20 Ų2030.6 Ų30.611%0.10516%0.162CC..Hα-helixtrans-60-46.4175.9-78.8170000112.3L1276 A1277 I1282 A1283 K1284 A1335 L1338 L1339L1276-L1280 WeakPolarHBondContact O-CG 3.26Å; L1276-L1280 PolarHBondContact O-N 2.65Å; A1277-L1280 PolarHBondContact O-N 3.43Å; L1280-I1282 VanDerWaalsContact C-N 3.31Å; L1280-I1282 PolarHBondContact O-N 3.03Å; L1280-A1283 PolarHBondContact O-N 3.14Å; L1280-K1284 WeakPolarHBondContact O-CG 3.37Å; L1280-K1284 PolarHBondContact O-N 3.14Å; L1280-A1335 HydrophobicContact CD1-CB 3.68Å; L1280-A1335 WeakPolarHBondContact CD2-O 3.44Å; L1280-L1338 HydrophobicContact CD1-CD2 4.43Å; L1280-L1338 HydrophobicContact CD2-CB 3.86Å; L1280-L1338 HydrophobicContact CD2-CD2 3.89Å; L1280-L1338 HydrophobicContact CD2-CG 3.75Å; L1280-L1339 HydrophobicContact CD2-CB 3.85Å; L1280-L1339 HydrophobicContact CD2-CD1 4.37Å
1281N81.5Confident83.3Confident17 Ų1726.9 Ų26.99%0.09115%0.151CC..Hα-helixtrans-67.8-31.6179.8-90-22.1000112.9I1218 F1221 E1222 A1277 L1278 F1279 K1284I1218-N1281 WeakPolarHBondContact CG2-ND2 3.38Å; F1221-N1281 WeakPolarHBondContact CE1-O 3.35Å; E1222-N1281 PolarHBondContact OE1-ND2 3.47Å; E1222-N1281 PolarHBondContact OE1-OD1 3.31Å; A1277-N1281 PolarHBondContact O-N 3.49Å; L1278-N1281 PolarHBondContact O-N 3.47Å; F1279-N1281 PolarHBondContact O-N 3.5Å; N1281-K1284 WeakPolarHBondContact OD1-CE 3.44Å; N1281-K1284 PolarHBondContact OD1-NZ 3.08Å
1282I84.2Confident83.3Confident1 Ų126.5 Ų26.51%0.00515%0.148CC..Hα-helixtrans-69.3-43.2170-67.5169.1000110.7F1221 L1232 L1235 L1241 L1278 F1279 L1280 K1284 S1285 G1288 F1292F1221-I1282 HydrophobicContact CE2-CG1 4.38Å; L1232-I1282 HydrophobicContact CD2-CG1 4.27Å; L1232-I1282 HydrophobicContact CD2-CG2 3.82Å; L1235-I1282 HydrophobicContact CD1-CD1 4.34Å; L1241-I1282 HydrophobicContact CD1-CD1 3.76Å; L1278-I1282 HydrophobicContact CD1-CD1 4.21Å; L1278-I1282 HydrophobicContact CG-CD1 4.03Å; L1278-I1282 WeakPolarHBondContact O-CG1 3.33Å; L1278-I1282 PolarHBondContact O-N 3.28Å; F1279-I1282 PolarHBondContact O-N 3.47Å; L1280-I1282 VanDerWaalsContact C-N 3.31Å; L1280-I1282 PolarHBondContact O-N 3.03Å; I1282-K1284 VanDerWaalsContact C-N 3.32Å; I1282-K1284 PolarHBondContact O-N 3.22Å; I1282-S1285 WeakPolarHBondContact O-CB 3.49Å; I1282-S1285 PolarHBondContact O-N 3.21Å; I1282-S1285 VanDerWaalsContact O-N 3.11Å; I1282-G1288 WeakPolarHBondContact O-CA 3.5Å; I1282-F1292 HydrophobicContact CB-CE2 3.82Å; I1282-F1292 HydrophobicContact CB-CZ 3.96Å; I1282-F1292 HydrophobicContact CD1-CZ 4.37Å; I1282-F1292 HydrophobicContact CG2-CD2 4.43Å; I1282-F1292 HydrophobicContact CG2-CE2 3.53Å; I1282-F1292 HydrophobicContact CG2-CZ 3.76Å
1283A84.1Confident83Confident4 Ų428.4 Ų28.43%0.03316%0.16CC..Hα-helixtrans-70.9-21.3-176.500000114.3F1279 L1280 S1285 F1292 L1339 H1342F1279-A1283 VanDerWaalsContact O-CB 3.26Å; F1279-A1283 WeakPolarHBondContact O-CB 3.49Å; F1279-A1283 PolarHBondContact O-N 3.44Å; L1280-A1283 PolarHBondContact O-N 3.14Å; A1283-S1285 PolarHBondContact O-N 3.16Å; A1283-F1292 HydrophobicContact CB-CD2 4.13Å; A1283-F1292 HydrophobicContact CB-CE2 4.07Å; A1283-L1339 HydrophobicContact CB-CD1 3.53Å; A1283-H1342 HydrophobicContact CB-CB 3.93Å
1284K80.2Confident82.9Confident126 Ų12635.4 Ų35.455%0.54818%0.184SC..THydrogen-bonded Turntrans-58.7-26.3168.4-75.3175.4-175.2168.50112.4L1280 N1281 I1282L1280-K1284 WeakPolarHBondContact O-CG 3.37Å; L1280-K1284 PolarHBondContact O-N 3.14Å; N1281-K1284 WeakPolarHBondContact OD1-CE 3.44Å; N1281-K1284 PolarHBondContact OD1-NZ 3.08Å; I1282-K1284 VanDerWaalsContact C-N 3.32Å; I1282-K1284 PolarHBondContact O-N 3.22Å
1285S78.6Confident82.7Confident28 Ų2836.4 Ų36.420%0.19619%0.188CC..SBendtrans-86.1132.2169.5-179.60000109.9I1282 A1283 D1287 G1288 G1289I1282-S1285 WeakPolarHBondContact O-CB 3.49Å; I1282-S1285 PolarHBondContact O-N 3.21Å; I1282-S1285 VanDerWaalsContact O-N 3.11Å; A1283-S1285 PolarHBondContact O-N 3.16Å; S1285-D1287 PolarHBondContact O-N 3.46Å; S1285-G1288 WeakPolarHBondContact O-CA 3.26Å; S1285-G1288 PolarHBondContact O-N 3.34Å; S1285-G1289 PolarHBondContact O-N 2.85Å
1286P78.8Confident82.5Confident83 Ų8338.7 Ų38.754%0.53920%0.201SC..Hα-helixtrans-57.5-36.2176.723.7-32.8000112G1288 G1289 I1290 V1346P1286-G1288 VanDerWaalsContact C-N 3.28Å; P1286-G1288 PolarHBondContact O-N 3.17Å; P1286-G1289 PolarHBondContact O-N 2.8Å; P1286-I1290 WeakPolarHBondContact O-CG1 3.47Å; P1286-I1290 PolarHBondContact O-N 3.12Å; P1286-V1346 HydrophobicContact CB-CG2 4.28Å
1287D78.8Confident82.4Confident102 Ų10238.6 Ų38.655%0.54520%0.2SC..Hα-helixtrans-62.4-36.3176-67.8-34.4000112.4S1285 I1290 A1291S1285-D1287 PolarHBondContact O-N 3.46Å; D1287-I1290 PolarHBondContact O-N 2.88Å; D1287-A1291 WeakPolarHBondContact O-CB 3.49Å; D1287-A1291 PolarHBondContact O-N 3.09Å
1288G78.6Confident82.3Confident0 Ų037.2 Ų37.20%019%0.189CC..Hα-helixtrans-70.6-40.3175.800000112.2I1282 S1285 P1286 I1290 A1291 F1292I1282-G1288 WeakPolarHBondContact O-CA 3.5Å; S1285-G1288 WeakPolarHBondContact O-CA 3.26Å; S1285-G1288 PolarHBondContact O-N 3.34Å; P1286-G1288 VanDerWaalsContact C-N 3.28Å; P1286-G1288 PolarHBondContact O-N 3.17Å; G1288-I1290 VanDerWaalsContact C-N 3.34Å; G1288-I1290 PolarHBondContact O-N 3.18Å; G1288-A1291 WeakPolarHBondContact O-CB 3.37Å; G1288-A1291 PolarHBondContact O-N 3.38Å; G1288-F1292 WeakPolarHBondContact O-CD2 3.42Å; G1288-F1292 PolarHBondContact O-N 3.03Å
1289G78.6Confident82.1Confident0 Ų038.5 Ų38.50%020%0.198CC..Hα-helixtrans-58.5-44.4171.100000112.2S1285 P1286 A1291 F1292 V1293S1285-G1289 PolarHBondContact O-N 2.85Å; P1286-G1289 PolarHBondContact O-N 2.8Å; G1289-A1291 VanDerWaalsContact C-N 3.34Å; G1289-A1291 PolarHBondContact O-N 3.39Å; G1289-F1292 PolarHBondContact O-N 3.34Å; G1289-V1293 WeakPolarHBondContact O-CG2 3.27Å; G1289-V1293 PolarHBondContact O-N 2.92Å; G1289-V1293 VanDerWaalsContact O-N 3.08Å
1290I80.6Confident81.9Confident64 Ų6443.1 Ų43.133%0.32822%0.215SC..Hα-helixtrans-61.6-42.9174.6-63.3171.2000110.5P1286 D1287 G1288 F1292 V1293 R1294 V1346P1286-I1290 WeakPolarHBondContact O-CG1 3.47Å; P1286-I1290 PolarHBondContact O-N 3.12Å; D1287-I1290 PolarHBondContact O-N 2.88Å; G1288-I1290 VanDerWaalsContact C-N 3.34Å; G1288-I1290 PolarHBondContact O-N 3.18Å; I1290-F1292 PolarHBondContact O-N 2.6Å; I1290-V1293 PolarHBondContact O-N 3.42Å; I1290-R1294 HydrophobicContact CG2-CG 4.46Å; I1290-R1294 WeakPolarHBondContact O-CG 3.37Å; I1290-R1294 PolarHBondContact O-N 2.89Å; I1290-V1346 HydrophobicContact CB-CG1 4.28Å; I1290-V1346 HydrophobicContact CD1-CG1 4.3Å; I1290-V1346 HydrophobicContact CG1-CG1 3.27Å
1291A80.5Confident81.8Confident13 Ų1342.2 Ų42.211%0.10721%0.211CC..Hα-helixtrans-61.1-41.9178.300000112F1236 L1241 D1287 G1288 G1289 R1294 L1295F1236-A1291 HydrophobicContact CD2-CB 4.3Å; F1236-A1291 HydrophobicContact CE2-CB 4.31Å; L1241-A1291 HydrophobicContact CD2-CB 4.27Å; D1287-A1291 WeakPolarHBondContact O-CB 3.49Å; D1287-A1291 PolarHBondContact O-N 3.09Å; G1288-A1291 WeakPolarHBondContact O-CB 3.37Å; G1288-A1291 PolarHBondContact O-N 3.38Å; G1289-A1291 VanDerWaalsContact C-N 3.34Å; G1289-A1291 PolarHBondContact O-N 3.39Å; A1291-R1294 PolarHBondContact O-N 3.47Å; A1291-L1295 WeakPolarHBondContact O-CB 3.34Å; A1291-L1295 VanDerWaalsContact O-CG 3.25Å; A1291-L1295 WeakPolarHBondContact O-CG 3.38Å; A1291-L1295 PolarHBondContact O-N 3.27Å
1292F85.4Confident81.9Confident0 Ų042.9 Ų42.90%021%0.214CC..Hα-helixtrans-67.5-34.7176.1-72-51.5000113.7L1241 V1245 F1279 I1282 A1283 G1288 G1289 I1290 L1295 D1296 L1297 M1343L1241-F1292 HydrophobicContact CD1-CE1 3.76Å; L1241-F1292 HydrophobicContact CD1-CZ 4.04Å; L1241-F1292 HydrophobicContact CD2-CE1 4.33Å; L1241-F1292 HydrophobicContact CG-CE1 4.25Å; V1245-F1292 HydrophobicContact CG2-CD1 4.3Å; V1245-F1292 HydrophobicContact CG2-CE1 4.26Å; F1279-F1292 HydrophobicContact CB-CE1 4.4Å; F1279-F1292 HydrophobicContact CB-CE2 4.22Å; F1279-F1292 HydrophobicContact CB-CZ 3.78Å; F1279-F1292 AromaticContact CD1-CE1 3.71Å; F1279-F1292 HydrophobicContact CD1-CE1 3.71Å; F1279-F1292 AromaticContact CD1-CZ 3.6Å; F1279-F1292 HydrophobicContact CD1-CZ 3.6Å; F1279-F1292 HydrophobicContact CE1-CE1 4.12Å; F1279-F1292 HydrophobicContact CE1-CZ 4.42Å; F1279-F1292 HydrophobicContact CG-CE1 4.07Å; F1279-F1292 AromaticContact CG-CZ 3.87Å; F1279-F1292 HydrophobicContact CG-CZ 3.87Å; F1279-F1292 VanDerWaalsContact O-CE2 3.31Å; F1279-F1292 WeakPolarHBondContact O-CE2 3.38Å; I1282-F1292 HydrophobicContact CB-CE2 3.82Å; I1282-F1292 HydrophobicContact CB-CZ 3.96Å; I1282-F1292 HydrophobicContact CD1-CZ 4.37Å; I1282-F1292 HydrophobicContact CG2-CD2 4.43Å; I1282-F1292 HydrophobicContact CG2-CE2 3.53Å; I1282-F1292 HydrophobicContact CG2-CZ 3.76Å; A1283-F1292 HydrophobicContact CB-CD2 4.13Å; A1283-F1292 HydrophobicContact CB-CE2 4.07Å; G1288-F1292 WeakPolarHBondContact O-CD2 3.42Å; G1288-F1292 PolarHBondContact O-N 3.03Å; G1289-F1292 PolarHBondContact O-N 3.34Å; I1290-F1292 PolarHBondContact O-N 2.6Å; F1292-L1295 PolarHBondContact O-N 3.43Å; F1292-D1296 PolarHBondContact O-N 3.42Å; F1292-L1297 HydrophobicContact CB-CB 4.16Å; F1292-L1297 HydrophobicContact CB-CD2 3.98Å; F1292-L1297 HydrophobicContact CD1-CB 4.38Å; F1292-L1297 HydrophobicContact CD1-CD2 3.72Å; F1292-L1297 HydrophobicContact CD2-CD2 4.49Å; F1292-L1297 HydrophobicContact CE1-CD2 4.35Å; F1292-L1297 HydrophobicContact CG-CD2 3.82Å; F1292-L1297 PolarHBondContact O-N 3.3Å; F1292-M1343 HydrophobicContact CB-CE 4.2Å; F1292-M1343 HydrophobicContact CB-SD 4.45Å
1293V78.9Confident81.9Confident42 Ų4245.5 Ų45.526%0.25523%0.232SC..Hα-helixtrans-63.4-42.9171.6172.90000110.4G1289 I1290 L1295 D1296 M1343 L1347G1289-V1293 WeakPolarHBondContact O-CG2 3.27Å; G1289-V1293 PolarHBondContact O-N 2.92Å; G1289-V1293 VanDerWaalsContact O-N 3.08Å; I1290-V1293 PolarHBondContact O-N 3.42Å; V1293-L1295 PolarHBondContact O-N 3.34Å; V1293-D1296 PolarHBondContact O-N 3.09Å; V1293-M1343 HydrophobicContact CG2-CE 3.82Å; V1293-L1347 HydrophobicContact CG1-CD2 4.35Å; V1293-L1347 HydrophobicContact CG2-CD2 3.92Å; V1293-L1347 HydrophobicContact CG2-CG 4.37Å
1294R81.6Confident81.9Confident188 Ų18845.5 Ų45.571%0.70923%0.232SC*.Hα-helixtrans-66.4-32.7176.3-71.4177.7-179.4176.62.4113.7I1290 A1291 D1296I1290-R1294 HydrophobicContact CG2-CG 4.46Å; I1290-R1294 WeakPolarHBondContact O-CG 3.37Å; I1290-R1294 PolarHBondContact O-N 2.89Å; A1291-R1294 PolarHBondContact O-N 3.47Å; R1294-D1296 PolarHBondContact O-N 3.01Å
1295L82.7Confident81.9Confident28 Ų2846.3 Ų46.315%0.14724%0.235CC..THydrogen-bonded Turntrans-83.72.1178.1-68.1171.3000113.4L1241 Y1242 V1245 A1291 F1292 V1293 L1297L1241-L1295 HydrophobicContact CB-CD1 4.28Å; L1241-L1295 HydrophobicContact CD2-CD1 3.63Å; L1241-L1295 HydrophobicContact CG-CD1 3.63Å; Y1242-L1295 HydrophobicContact CD2-CD2 3.67Å; Y1242-L1295 HydrophobicContact CG-CD2 4.35Å; V1245-L1295 HydrophobicContact CG1-CB 4.48Å; V1245-L1295 HydrophobicContact CG2-CB 4.44Å; V1245-L1295 HydrophobicContact CG2-CD1 4.19Å; A1291-L1295 WeakPolarHBondContact O-CB 3.34Å; A1291-L1295 VanDerWaalsContact O-CG 3.25Å; A1291-L1295 WeakPolarHBondContact O-CG 3.38Å; A1291-L1295 PolarHBondContact O-N 3.27Å; F1292-L1295 PolarHBondContact O-N 3.43Å; V1293-L1295 PolarHBondContact O-N 3.34Å; L1295-L1297 VanDerWaalsContact C-N 3.28Å; L1295-L1297 PolarHBondContact O-N 3.34Å
1296D84.8Confident81.9Confident57 Ų5745.1 Ų45.131%0.30523%0.227SC..THydrogen-bonded Turntrans54.540.7179.2-153.22.6000113.6F1292 V1293 R1294 L1298 S1299 R1300 K1357F1292-D1296 PolarHBondContact O-N 3.42Å; V1293-D1296 PolarHBondContact O-N 3.09Å; R1294-D1296 PolarHBondContact O-N 3.01Å; D1296-L1298 PolarHBondContact O-N 3.32Å; D1296-S1299 WeakPolarHBondContact O-CB 3.42Å; D1296-S1299 PolarHBondContact O-N 3.09Å; D1296-S1299 VanDerWaalsContact O-N 3.08Å; D1296-S1299 WeakPolarHBondContact OD1-CB 2.87Å; D1296-S1299 PolarHBondContact OD1-OG 3.42Å; D1296-S1299 PolarHBondContact OD2-OG 2.91Å; D1296-R1300 PolarHBondContact O-N 3.18Å; D1296-K1357 WeakPolarHBondContact OD1-CD 3.38Å; D1296-K1357 IonicContact OD1-NZ 2.7Å; D1296-K1357 PolarHBondContact OD1-NZ 2.98Å; D1296-K1357 IonicContact OD2-NZ 2.76Å; D1296-K1357 PolarHBondContact OD2-NZ 3.25Å
1297L85.7Confident82Confident0 Ų041.4 Ų41.40%020%0.202CC..Hα-helixtrans-54.7-40.3-177.3175.863.9000112.4V1245 L1248 F1279 F1292 L1295 S1299 R1300 L1301 L1339 M1343V1245-L1297 HydrophobicContact CG1-CD1 4.05Å; V1245-L1297 HydrophobicContact CG2-CD1 4.21Å; L1248-L1297 HydrophobicContact CD1-CD1 3.55Å; F1279-L1297 HydrophobicContact CE2-CD1 4.29Å; F1292-L1297 HydrophobicContact CB-CB 4.16Å; F1292-L1297 HydrophobicContact CB-CD2 3.98Å; F1292-L1297 HydrophobicContact CD1-CB 4.38Å; F1292-L1297 HydrophobicContact CD1-CD2 3.72Å; F1292-L1297 HydrophobicContact CD2-CD2 4.49Å; F1292-L1297 HydrophobicContact CE1-CD2 4.35Å; F1292-L1297 HydrophobicContact CG-CD2 3.82Å; F1292-L1297 PolarHBondContact O-N 3.3Å; L1295-L1297 VanDerWaalsContact C-N 3.28Å; L1295-L1297 PolarHBondContact O-N 3.34Å; L1297-S1299 VanDerWaalsContact C-N 3.29Å; L1297-S1299 PolarHBondContact O-N 3.26Å; L1297-R1300 WeakPolarHBondContact O-CB 3.23Å; L1297-R1300 PolarHBondContact O-N 2.97Å; L1297-L1301 HydrophobicContact CD1-CG 4.31Å; L1297-L1301 HydrophobicContact CG-CD1 4.1Å; L1297-L1301 HydrophobicContact CG-CG 4.33Å; L1297-L1301 PolarHBondContact O-N 3.23Å; L1297-L1339 HydrophobicContact CD2-CD2 3.8Å; L1297-L1339 HydrophobicContact CD2-CG 4.4Å; L1297-M1343 HydrophobicContact CD2-SD 4.15Å
1298L83.5Confident81.9Confident3 Ų342 Ų422%0.01620%0.2CC..Hα-helixtrans-59.3-39.7179.4-71.2170000111.8D1296 R1300 L1301 I1302 M1343 S1354 K1357 L1358D1296-L1298 PolarHBondContact O-N 3.32Å; L1298-R1300 VanDerWaalsContact C-N 3.28Å; L1298-R1300 PolarHBondContact O-N 3.43Å; L1298-L1301 PolarHBondContact O-N 3.45Å; L1298-I1302 WeakPolarHBondContact O-CB 3.17Å; L1298-I1302 WeakPolarHBondContact O-CD1 3.34Å; L1298-I1302 WeakPolarHBondContact O-CG1 3.42Å; L1298-I1302 PolarHBondContact O-N 2.92Å; L1298-M1343 HydrophobicContact CD1-CE 3.94Å; L1298-M1343 HydrophobicContact CD2-CE 4.42Å; L1298-M1343 HydrophobicContact CD2-SD 4.25Å; L1298-M1343 HydrophobicContact CG-CE 3.77Å; L1298-M1343 HydrophobicContact CG-SD 4.22Å; L1298-S1354 VanDerWaalsContact CD1-O 3.31Å; L1298-S1354 WeakPolarHBondContact CD1-O 3.39Å; L1298-K1357 HydrophobicContact CB-CB 4.07Å; L1298-L1358 HydrophobicContact CD1-CB 4.19Å; L1298-L1358 HydrophobicContact CD2-CD1 4Å
1299S83.7Confident81.7Confident33 Ų3346.4 Ų46.423%0.23122%0.217CC..Hα-helixtrans-63.5-35.2175.8-61.70000112.5D1296 L1297 S1303 K1357D1296-S1299 WeakPolarHBondContact O-CB 3.42Å; D1296-S1299 PolarHBondContact O-N 3.09Å; D1296-S1299 VanDerWaalsContact O-N 3.08Å; D1296-S1299 WeakPolarHBondContact OD1-CB 2.87Å; D1296-S1299 PolarHBondContact OD1-OG 3.42Å; D1296-S1299 PolarHBondContact OD2-OG 2.91Å; L1297-S1299 VanDerWaalsContact C-N 3.29Å; L1297-S1299 PolarHBondContact O-N 3.26Å; S1299-S1303 PolarHBondContact O-N 3.42Å; S1299-K1357 VanDerWaalsContact OG-CD 3.27Å; S1299-K1357 WeakPolarHBondContact OG-CD 3.45Å; S1299-K1357 WeakPolarHBondContact OG-CE 3.3Å; S1299-K1357 PolarHBondContact OG-NZ 2.95Å
1300R83.8Confident81.6Confident97 Ų9746.6 Ų46.637%0.36622%0.218SC..Hα-helixtrans-71-41.7175.4-59.2-55.9-168.7-179.71.9111.6V1245 N1246 L1248 D1296 L1297 L1298 I1302 S1303 M1304V1245-R1300 HydrophobicContact CG1-CG 3.9Å; N1246-R1300 PolarHBondContact OD1-NE 2.98Å; N1246-R1300 PolarHBondContact OD1-NH2 3.38Å; L1248-R1300 HydrophobicContact CD1-CB 4.18Å; D1296-R1300 PolarHBondContact O-N 3.18Å; L1297-R1300 WeakPolarHBondContact O-CB 3.23Å; L1297-R1300 PolarHBondContact O-N 2.97Å; L1298-R1300 VanDerWaalsContact C-N 3.28Å; L1298-R1300 PolarHBondContact O-N 3.43Å; R1300-I1302 VanDerWaalsContact C-N 3.33Å; R1300-I1302 PolarHBondContact O-N 2.95Å; R1300-S1303 PolarHBondContact O-N 3.33Å; R1300-S1303 VanDerWaalsContact O-N 3.12Å; R1300-S1303 PolarHBondContact O-OG 2.71Å; R1300-M1304 PolarHBondContact O-N 3Å
1301L83.9Confident81.2Confident0 Ų047.4 Ų47.40%022%0.217CC..Hα-helixtrans-62.9-38.5174.9-68.6173.6000112.2L1248 L1297 L1298 S1303 M1304 Y1307 F1361L1248-L1301 HydrophobicContact CD1-CD2 4.44Å; L1297-L1301 HydrophobicContact CD1-CG 4.31Å; L1297-L1301 HydrophobicContact CG-CD1 4.1Å; L1297-L1301 HydrophobicContact CG-CG 4.33Å; L1297-L1301 PolarHBondContact O-N 3.23Å; L1298-L1301 PolarHBondContact O-N 3.45Å; L1301-S1303 VanDerWaalsContact C-N 3.26Å; L1301-S1303 PolarHBondContact O-N 3.42Å; L1301-M1304 HydrophobicContact CD2-SD 4.46Å; L1301-M1304 PolarHBondContact O-N 3.19Å; L1301-Y1307 HydrophobicContact CD2-CE2 3.93Å; L1301-F1361 HydrophobicContact CB-CD2 4.16Å; L1301-F1361 HydrophobicContact CB-CE2 4.09Å
1302I83Confident80.8Confident32 Ų3254.3 Ų54.316%0.16424%0.24CC..Hα-helixtrans-61.7-34.3173.4-70.8163.2000111.8L1298 R1300 M1304 K1357 L1360 F1361 I1364L1298-I1302 WeakPolarHBondContact O-CB 3.17Å; L1298-I1302 WeakPolarHBondContact O-CD1 3.34Å; L1298-I1302 WeakPolarHBondContact O-CG1 3.42Å; L1298-I1302 PolarHBondContact O-N 2.92Å; R1300-I1302 VanDerWaalsContact C-N 3.33Å; R1300-I1302 PolarHBondContact O-N 2.95Å; I1302-M1304 VanDerWaalsContact C-N 3.27Å; I1302-M1304 PolarHBondContact O-N 3.46Å; I1302-K1357 HydrophobicContact CD1-CB 3.83Å; I1302-K1357 HydrophobicContact CD1-CG 4.23Å; I1302-K1357 WeakPolarHBondContact CD1-O 3.14Å; I1302-L1360 HydrophobicContact CD1-CB 4.35Å; I1302-L1360 HydrophobicContact CD1-CD2 4.28Å; I1302-L1360 HydrophobicContact CD1-CG 4.44Å; I1302-L1360 HydrophobicContact CG2-CD2 4.27Å; I1302-F1361 HydrophobicContact CD1-CB 4.37Å; I1302-F1361 HydrophobicContact CG1-CB 3.7Å; I1302-F1361 HydrophobicContact CG1-CD2 4.26Å; I1302-F1361 HydrophobicContact CG1-CG 4.49Å; I1302-I1364 HydrophobicContact CG2-CD1 3.62Å
1303S83.6Confident80.2Confident55 Ų5555.4 Ų55.439%0.38525%0.245SC..Hα-helixtrans-73.4-16.1-179.374.80000114.3S1299 R1300 L1301S1299-S1303 PolarHBondContact O-N 3.42Å; R1300-S1303 PolarHBondContact O-N 3.33Å; R1300-S1303 VanDerWaalsContact O-N 3.12Å; R1300-S1303 PolarHBondContact O-OG 2.71Å; L1301-S1303 VanDerWaalsContact C-N 3.26Å; L1301-S1303 PolarHBondContact O-N 3.42Å
1304M84.5Confident79.7Confident5 Ų553.6 Ų53.63%0.02523%0.234CC..  trans-77.9123.1-178.5-64.8-169.670.400111.4L1248 D1252 L1255 R1300 L1301 I1302 Y1307L1248-M1304 HydrophobicContact CB-SD 4.08Å; L1248-M1304 HydrophobicContact CD2-SD 4.23Å; D1252-M1304 HydrophobicContact CB-CE 4.15Å; D1252-M1304 HydrophobicContact CB-CG 4.44Å; L1255-M1304 HydrophobicContact CD1-CE 3.94Å; R1300-M1304 PolarHBondContact O-N 3Å; L1301-M1304 HydrophobicContact CD2-SD 4.46Å; L1301-M1304 PolarHBondContact O-N 3.19Å; I1302-M1304 VanDerWaalsContact C-N 3.27Å; I1302-M1304 PolarHBondContact O-N 3.46Å; M1304-Y1307 HydrophobicContact CB-CD2 3.75Å; M1304-Y1307 HydrophobicContact CB-CE2 3.74Å; M1304-Y1307 HydrophobicContact CE-CE2 4.28Å; M1304-Y1307 HydrophobicContact CG-CE2 4.12Å; M1304-Y1307 HydrophobicContact SD-CD2 4.46Å; M1304-Y1307 HydrophobicContact SD-CE2 3.52Å; M1304-Y1307 VanDerWaalsContact SD-CE2 3.52Å
1305K80.8Confident78.8Confident143 Ų14348.9 Ų48.962%0.62222%0.223SC*.SBendtrans-88-23.3178.8-62.8174.9-175.9171.80112.5D1252 L1256 Y1307 K1308 Y1309D1252-K1305 VanDerWaalsContact CG-N 3.32Å; D1252-K1305 PolarHBondContact OD1-N 3.19Å; D1252-K1305 VanDerWaalsContact OD1-N 3.13Å; D1252-K1305 PolarHBondContact OD2-N 2.95Å; L1256-K1305 HydrophobicContact CD1-CB 4.31Å; K1305-Y1307 VanDerWaalsContact C-N 3.29Å; K1305-Y1307 PolarHBondContact O-N 2.93Å; K1305-K1308 WeakPolarHBondContact O-CB 3.27Å; K1305-K1308 PolarHBondContact O-N 2.95Å; K1305-Y1309 WeakPolarHBondContact O-CD2 3.43Å
1306S77.8Confident77.8Confident2 Ų253.9 Ų53.91%0.01424%0.24CC..G310 helixtrans-58.1-36.2-178.152.40000113.6D1252 K1308 Y1309D1252-S1306 WeakPolarHBondContact OD1-CB 3.25Å; D1252-S1306 PolarHBondContact OD1-N 3.28Å; D1252-S1306 PolarHBondContact OD1-OG 3.47Å; S1306-K1308 VanDerWaalsContact C-N 3.25Å; S1306-K1308 PolarHBondContact O-N 2.79Å; S1306-Y1309 PolarHBondContact O-N 3.44Å
1307Y81.1Confident76.4Confident6 Ų655.5 Ų55.52%0.02425%0.247CC..G310 helixtrans-60-33.9-179.8-63.7-45.2000113.3H1272 L1301 M1304 K1305 Y1309 L1310 V1332 V1336 F1361H1272-Y1307 AromaticContact NE2-CE1 3.89Å; H1272-Y1307 AromaticContact NE2-CZ 3.88Å; H1272-Y1307 PolarHBondContact NE2-OH 3.41Å; L1301-Y1307 HydrophobicContact CD2-CE2 3.93Å; M1304-Y1307 HydrophobicContact CB-CD2 3.75Å; M1304-Y1307 HydrophobicContact CB-CE2 3.74Å; M1304-Y1307 HydrophobicContact CE-CE2 4.28Å; M1304-Y1307 HydrophobicContact CG-CE2 4.12Å; M1304-Y1307 HydrophobicContact SD-CD2 4.46Å; M1304-Y1307 HydrophobicContact SD-CE2 3.52Å; M1304-Y1307 VanDerWaalsContact SD-CE2 3.52Å; K1305-Y1307 VanDerWaalsContact C-N 3.29Å; K1305-Y1307 PolarHBondContact O-N 2.93Å; Y1307-Y1309 PolarHBondContact O-N 2.98Å; Y1307-L1310 HydrophobicContact CD1-CD1 3.74Å; Y1307-L1310 WeakPolarHBondContact O-CB 3.49Å; Y1307-L1310 PolarHBondContact O-N 2.96Å; Y1307-V1332 HydrophobicContact CD1-CG1 4.38Å; Y1307-V1332 HydrophobicContact CE1-CG1 3.79Å; Y1307-V1336 HydrophobicContact CE1-CG2 3.99Å; Y1307-F1361 HydrophobicContact CD2-CE2 4.24Å
1308K76.2Confident74.9Confident114 Ų11458.9 Ų58.950%0.49627%0.266SS..G310 helixtrans-62.4-23.9174.7-173.4174.2179.1174.90112.9K1305 S1306 Y1311K1305-K1308 WeakPolarHBondContact O-CB 3.27Å; K1305-K1308 PolarHBondContact O-N 2.95Å; S1306-K1308 VanDerWaalsContact C-N 3.25Å; S1306-K1308 PolarHBondContact O-N 2.79Å; K1308-Y1311 WeakPolarHBondContact O-CD1 3.34Å; K1308-Y1311 WeakPolarHBondContact O-CE1 3.3Å
1309Y75.9Confident73.4Confident93 Ų9368.4 Ų68.437%0.36531%0.307SS..G310 helixtrans-91.7-10.9-179.2-64.7-82.1000113.7L1256 K1305 S1306 Y1307 Y1311 R1312L1256-Y1309 HydrophobicContact CD2-CD2 3.63Å; L1256-Y1309 HydrophobicContact CD2-CE2 3.59Å; K1305-Y1309 WeakPolarHBondContact O-CD2 3.43Å; S1306-Y1309 PolarHBondContact O-N 3.44Å; Y1307-Y1309 PolarHBondContact O-N 2.98Å; Y1309-Y1311 VanDerWaalsContact C-N 3.27Å; Y1309-Y1311 PolarHBondContact O-N 3.06Å; Y1309-R1312 WeakPolarHBondContact O-CB 3.47Å; Y1309-R1312 PolarHBondContact O-N 3.04Å; Y1309-R1312 VanDerWaalsContact O-N 3.13Å
1310L75.7Confident71.6Confident3 Ų372.8 Ų72.82%0.01633%0.332CS..G310 helixtrans-58-37.1-176.5-73.8176000113.1F1259 Y1307 R1312 F1313 Y1314 C1329 V1332 L1368F1259-L1310 HydrophobicContact CE1-CD2 4.16Å; F1259-L1310 HydrophobicContact CE2-CD2 4.39Å; F1259-L1310 HydrophobicContact CZ-CD2 3.52Å; F1259-L1310 HydrophobicContact CZ-CG 4.47Å; Y1307-L1310 HydrophobicContact CD1-CD1 3.74Å; Y1307-L1310 WeakPolarHBondContact O-CB 3.49Å; Y1307-L1310 PolarHBondContact O-N 2.96Å; L1310-R1312 PolarHBondContact O-N 3.11Å; L1310-R1312 VanDerWaalsContact O-N 3.17Å; L1310-F1313 PolarHBondContact O-N 3.39Å; L1310-F1313 VanDerWaalsContact O-N 3.14Å; L1310-Y1314 PolarHBondContact O-N 3.48Å; L1310-C1329 HydrophobicContact CD2-CB 3.87Å; L1310-V1332 HydrophobicContact CD1-CG1 4.2Å; L1310-L1368 HydrophobicContact CB-CD1 4.01Å; L1310-L1368 HydrophobicContact CB-CD2 4.35Å; L1310-L1368 HydrophobicContact CD1-CD2 4.23Å
1311Y72.6Confident70Confident81 Ų8174.7 Ų74.732%0.31834%0.343SS..G310 helixtrans-62-26.2-178.381.5-88.3000112.7K1308 Y1309 F1313 Y1314K1308-Y1311 WeakPolarHBondContact O-CD1 3.34Å; K1308-Y1311 WeakPolarHBondContact O-CE1 3.3Å; Y1309-Y1311 VanDerWaalsContact C-N 3.27Å; Y1309-Y1311 PolarHBondContact O-N 3.06Å; Y1311-F1313 PolarHBondContact O-N 2.97Å; Y1311-Y1314 PolarHBondContact O-N 3.22Å
1312R71.9Confident68.3Low158 Ų15882.2 Ų82.260%0.59639%0.389SS*.G310 helixtrans-64.3-27.3178.1-74.2-172.9174-177.1-4113.4Y1309 L1310Y1309-R1312 WeakPolarHBondContact O-CB 3.47Å; Y1309-R1312 PolarHBondContact O-N 3.04Å; Y1309-R1312 VanDerWaalsContact O-N 3.13Å; L1310-R1312 PolarHBondContact O-N 3.11Å; L1310-R1312 VanDerWaalsContact O-N 3.17Å
1313F71.8Confident67.2Low23 Ų2384.3 Ų84.310%0.10140%0.4CS..THydrogen-bonded Turntrans-106.1-5.2-175.5-60.6-78.5000112.8F1259 L1310 Y1311 D1315 R1316 M1325 A1326F1259-F1313 HydrophobicContact CB-CE2 4.09Å; F1259-F1313 AromaticContact CD1-CD2 3.66Å; F1259-F1313 HydrophobicContact CD1-CD2 3.66Å; F1259-F1313 AromaticContact CD1-CE2 3.43Å; F1259-F1313 HydrophobicContact CD1-CE2 3.43Å; F1259-F1313 VanDerWaalsContact CD1-CE2 3.43Å; F1259-F1313 HydrophobicContact CD1-CZ 4.27Å; F1259-F1313 AromaticContact CE1-CD2 3.97Å; F1259-F1313 HydrophobicContact CE1-CD2 3.97Å; F1259-F1313 HydrophobicContact CE1-CE2 4.22Å; F1259-F1313 HydrophobicContact CG-CE2 4.14Å; L1310-F1313 PolarHBondContact O-N 3.39Å; L1310-F1313 VanDerWaalsContact O-N 3.14Å; Y1311-F1313 PolarHBondContact O-N 2.97Å; F1313-D1315 PolarHBondContact O-N 3.38Å; F1313-D1315 VanDerWaalsContact O-N 3.14Å; F1313-R1316 PolarHBondContact O-N 3.36Å; F1313-M1325 HydrophobicContact CB-CG 4.19Å; F1313-M1325 HydrophobicContact CD1-CG 4.38Å; F1313-M1325 HydrophobicContact CG-CG 4.35Å; F1313-A1326 WeakPolarHBondContact O-CA 3.25Å; F1313-A1326 WeakPolarHBondContact O-CB 3.4Å
1314Y69.4Low66.4Low4 Ų482.8 Ų82.82%0.01639%0.389CS..THydrogen-bonded Turntrans-57.6-28179.4-119.6-100000112.9L1310 Y1311 C1329 R1330 L1368 I1372 K1375L1310-Y1314 PolarHBondContact O-N 3.48Å; Y1311-Y1314 PolarHBondContact O-N 3.22Å; Y1314-C1329 HydrophobicContact CD2-CB 4.31Å; Y1314-R1330 HydrophobicContact CD1-CG 4.19Å; Y1314-R1330 HydrophobicContact CE1-CG 3.6Å; Y1314-R1330 HydrophobicContact CE2-CG 4.34Å; Y1314-L1368 HydrophobicContact CD2-CD1 4.28Å; Y1314-L1368 HydrophobicContact CE2-CD1 4.11Å; Y1314-I1372 HydrophobicContact CE1-CG1 4.12Å; Y1314-K1375 HydrophobicContact CD1-CD 4.42Å; Y1314-K1375 PolarHBondContact O-NZ 3.47Å
1315D62.9Low65.8Low90 Ų9084.3 Ų84.348%0.48140%0.396SS..THydrogen-bonded Turntrans-95.6-16.3-177.5-68.5-19.1000115.1F1313 I1317 H1371 K1375F1313-D1315 PolarHBondContact O-N 3.38Å; F1313-D1315 VanDerWaalsContact O-N 3.14Å; D1315-I1317 PolarHBondContact O-N 3.12Å; D1315-I1317 VanDerWaalsContact O-N 3.07Å; D1315-H1371 IonicContact OD1-NE2 3.74Å; D1315-H1371 IonicContact OD2-CE1 3.8Å; D1315-K1375 WeakPolarHBondContact OD1-CD 3.21Å; D1315-K1375 WeakPolarHBondContact OD1-CE 3.32Å; D1315-K1375 IonicContact OD1-NZ 2.83Å; D1315-K1375 PolarHBondContact OD1-NZ 2.91Å
1316R60.2Low65.3Low133 Ų13377.5 Ų77.550%0.50237%0.367SS..  trans-7996.1-174.4-88.3-173.1174.9179-0.6111.5E1261 F1313 D1318 A1326E1261-R1316 IonicContact OE1-NH1 2.85Å; E1261-R1316 PolarHBondContact OE1-NH1 3.24Å; F1313-R1316 PolarHBondContact O-N 3.36Å; R1316-D1318 PolarHBondContact O-N 2.85Å; R1316-A1326 WeakPolarHBondContact O-CB 3.45Å
1317I55.4Low65Low90 Ų9080.3 Ų80.346%0.46238%0.38SS..  trans-85.893.6166.2-49.6174.9000108.9D1315 K1319 I1380D1315-I1317 PolarHBondContact O-N 3.12Å; D1315-I1317 VanDerWaalsContact O-N 3.07Å; I1317-K1319 HydrophobicContact CG2-CG 4.42Å; I1317-K1319 PolarHBondContact O-N 3.41Å; I1317-K1319 VanDerWaalsContact O-N 3.1Å; I1317-I1380 HydrophobicContact CD1-CD1 4.24Å; I1317-I1380 HydrophobicContact CD1-CG2 3.55Å; I1317-I1380 HydrophobicContact CG1-CG2 4.44Å
1318D54.6Low64.6Low72 Ų7280.6 Ų80.639%0.38538%0.382SS..  trans-72.699165.3-87.6-15.1000108.9R1316 T1320 K1321R1316-D1318 PolarHBondContact O-N 2.85Å; D1318-T1320 PolarHBondContact O-N 2.98Å; D1318-K1321 PolarHBondContact O-N 3.31Å
1319K51.7Low64.6Low202 Ų20275.2 Ų75.288%0.87836%0.358SS*.THydrogen-bonded Turntrans-60.8-14.3175.7-68.4-173.7178.1-177.10113.5I1317I1317-K1319 HydrophobicContact CG2-CG 4.42Å; I1317-K1319 PolarHBondContact O-N 3.41Å; I1317-K1319 VanDerWaalsContact O-N 3.1Å
1320T47.1Very low64.6Low125 Ų12571.1 Ų71.177%0.76734%0.342SS*.THydrogen-bonded Turntrans-90.7-11.9-17552.40000113.7D1318D1318-T1320 PolarHBondContact O-N 2.98Å
1321K49.1Very low64.8Low137 Ų13772.9 Ų72.960%0.59636%0.355SS*.SBendtrans-115.5135.8-179.1-70.3-179.6179172.80110.7D1318 I1323D1318-K1321 PolarHBondContact O-N 3.31Å; K1321-I1323 PolarHBondContact O-N 3.19Å; K1321-I1323 VanDerWaalsContact O-N 3.15Å
1322V49.9Very low65.3Low159 Ų15969.2 Ų69.296%0.96434%0.341SS*.SBendtrans-58.3-27.9-179.7-178.40000112.2
1323I59.8Low65.7Low76 Ų7662 Ų6239%0.3931%0.314SS..SBendtrans-126.8114.5173.4-55.6173.7000107.6K1321 L1328K1321-I1323 PolarHBondContact O-N 3.19Å; K1321-I1323 VanDerWaalsContact O-N 3.15Å; I1323-L1328 HydrophobicContact CG2-CD1 4.21Å; I1323-L1328 HydrophobicContact CG2-CD2 4.08Å; I1323-L1328 HydrophobicContact CG2-CG 3.75Å
1324S66.3Low66.3Low22 Ų2263.5 Ų63.515%0.15432%0.321CS..  trans-72.3143.717668.90000110.5A1326 H1327 L1328S1324-A1326 PolarHBondContact O-N 2.68Å; S1324-A1326 VanDerWaalsContact O-N 3.15Å; S1324-H1327 PolarHBondContact O-N 3.34Å; S1324-H1327 PolarHBondContact OG-N 2.9Å; S1324-H1327 VanDerWaalsContact OG-N 3.13Å; S1324-L1328 PolarHBondContact O-N 2.9Å
1325M70.9Confident67Low37 Ų3763.9 Ų63.918%0.18233%0.325CS..Hα-helixtrans-55.4-31.2172.1-168.368.7-178.400111.1V1258 F1259 F1269 F1313 L1328 C1329V1258-M1325 HydrophobicContact CG1-CE 4.23Å; F1259-M1325 HydrophobicContact CD1-CE 3.78Å; F1259-M1325 HydrophobicContact CE1-CE 3.4Å; F1259-M1325 HydrophobicContact CZ-CE 4.33Å; F1269-M1325 HydrophobicContact CD2-CE 4.23Å; F1269-M1325 HydrophobicContact CE2-CE 4.09Å; F1313-M1325 HydrophobicContact CB-CG 4.19Å; F1313-M1325 HydrophobicContact CD1-CG 4.38Å; F1313-M1325 HydrophobicContact CG-CG 4.35Å; M1325-L1328 PolarHBondContact O-N 3.42Å; M1325-L1328 HydrophobicContact SD-CD1 4.39Å; M1325-C1329 PolarHBondContact O-N 2.86Å; M1325-C1329 PolarHBondContact O-SG 3.28Å
1326A70.1Confident68.1Low0 Ų059.8 Ų59.80%030%0.303CS..Hα-helixtrans-60.7-44.6173.600000112.8F1313 R1316 S1324 C1329 R1330F1313-A1326 WeakPolarHBondContact O-CA 3.25Å; F1313-A1326 WeakPolarHBondContact O-CB 3.4Å; R1316-A1326 WeakPolarHBondContact O-CB 3.45Å; S1324-A1326 PolarHBondContact O-N 2.68Å; S1324-A1326 VanDerWaalsContact O-N 3.15Å; A1326-C1329 PolarHBondContact O-N 2.72Å; A1326-R1330 WeakPolarHBondContact O-CG 3.46Å; A1326-R1330 PolarHBondContact O-N 3.24Å
1327H72.1Confident69.3Low61 Ų6153.7 Ų53.728%0.28228%0.28SS..Hα-helixtrans-63.9-42.9177-17770000111.5S1324 C1329 R1330 S1331 Q1384S1324-H1327 PolarHBondContact O-N 3.34Å; S1324-H1327 PolarHBondContact OG-N 2.9Å; S1324-H1327 VanDerWaalsContact OG-N 3.13Å; H1327-C1329 PolarHBondContact O-N 2.94Å; H1327-R1330 WeakPolarHBondContact O-CB 3.46Å; H1327-R1330 PolarHBondContact O-N 3.44Å; H1327-S1331 PolarHBondContact O-N 3.14Å; H1327-S1331 PolarHBondContact O-OG 3.34Å; H1327-S1331 VanDerWaalsContact O-OG 3.09Å; H1327-Q1384 PolarHBondContact CE1-OE1 2.72Å; H1327-Q1384 VanDerWaalsContact CE1-OE1 3.22Å; H1327-Q1384 PolarHBondContact ND1-OE1 3.25Å; H1327-Q1384 VanDerWaalsContact ND1-OE1 3.17Å
1328L74Confident70.8Confident13 Ų1351 Ų517%0.06827%0.267CS..Hα-helixtrans-58.9-43.2174.6-77176.5000112.7V1266 F1269 Y1270 I1273 I1323 S1324 M1325 S1331 V1332V1266-L1328 HydrophobicContact CG1-CD1 4.19Å; F1269-L1328 HydrophobicContact CD1-CB 4.1Å; F1269-L1328 HydrophobicContact CD1-CD1 4.18Å; F1269-L1328 HydrophobicContact CD1-CD2 4.22Å; F1269-L1328 HydrophobicContact CD1-CG 4.39Å; F1269-L1328 HydrophobicContact CE1-CB 3.52Å; F1269-L1328 HydrophobicContact CE1-CD1 4.43Å; F1269-L1328 HydrophobicContact CE1-CD2 4.25Å; F1269-L1328 HydrophobicContact CE1-CG 4.26Å; F1269-L1328 HydrophobicContact CZ-CB 4.22Å; Y1270-L1328 HydrophobicContact CE1-CD2 3.93Å; I1273-L1328 HydrophobicContact CD1-CD2 3.49Å; I1273-L1328 VanDerWaalsContact CD1-CD2 3.49Å; I1323-L1328 HydrophobicContact CG2-CD1 4.21Å; I1323-L1328 HydrophobicContact CG2-CD2 4.08Å; I1323-L1328 HydrophobicContact CG2-CG 3.75Å; S1324-L1328 PolarHBondContact O-N 2.9Å; M1325-L1328 PolarHBondContact O-N 3.42Å; M1325-L1328 HydrophobicContact SD-CD1 4.39Å; L1328-S1331 PolarHBondContact O-N 3.14Å; L1328-V1332 WeakPolarHBondContact O-CG2 3.48Å; L1328-V1332 PolarHBondContact O-N 2.95Å
1329C76Confident72.3Confident0 Ų047.6 Ų47.60%025%0.248CC..Hα-helixtrans-66.4-38.5177.1-66.20000112.7L1310 Y1314 M1325 A1326 H1327 T1333L1310-C1329 HydrophobicContact CD2-CB 3.87Å; Y1314-C1329 HydrophobicContact CD2-CB 4.31Å; M1325-C1329 PolarHBondContact O-N 2.86Å; M1325-C1329 PolarHBondContact O-SG 3.28Å; A1326-C1329 PolarHBondContact O-N 2.72Å; H1327-C1329 PolarHBondContact O-N 2.94Å; C1329-T1333 PolarHBondContact O-N 3.45Å; C1329-T1333 VanDerWaalsContact O-N 3.07Å; C1329-T1333 PolarHBondContact O-OG1 3Å
1330R76.3Confident73.9Confident7 Ų738 Ų383%0.02621%0.207CC..Hα-helixtrans-62-48174.2-75.5179.9-175.7105.1-9.2111.8Y1314 A1326 H1327 V1332 T1333 F1334 D1385 I1388Y1314-R1330 HydrophobicContact CD1-CG 4.19Å; Y1314-R1330 HydrophobicContact CE1-CG 3.6Å; Y1314-R1330 HydrophobicContact CE2-CG 4.34Å; A1326-R1330 WeakPolarHBondContact O-CG 3.46Å; A1326-R1330 PolarHBondContact O-N 3.24Å; H1327-R1330 WeakPolarHBondContact O-CB 3.46Å; H1327-R1330 PolarHBondContact O-N 3.44Å; R1330-V1332 VanDerWaalsContact C-N 3.33Å; R1330-V1332 PolarHBondContact O-N 3.11Å; R1330-T1333 PolarHBondContact O-N 3.18Å; R1330-T1333 VanDerWaalsContact O-N 3.11Å; R1330-F1334 WeakPolarHBondContact O-CB 3.27Å; R1330-F1334 PolarHBondContact O-N 3.43Å; R1330-D1385 WeakPolarHBondContact CD-OD1 3.34Å; R1330-D1385 IonicContact CZ-OD1 2.66Å; R1330-D1385 IonicContact NE-OD1 2.69Å; R1330-D1385 PolarHBondContact NE-OD1 3.48Å; R1330-D1385 IonicContact NE-OD2 3.7Å; R1330-D1385 IonicContact NH2-OD1 2.79Å; R1330-D1385 IonicContact NH2-OD2 2.8Å; R1330-I1388 HydrophobicContact CB-CD1 3.87Å; R1330-I1388 HydrophobicContact CG-CD1 4.14Å
1331S78.5Confident75.7Confident41 Ų4133.1 Ų33.129%0.28718%0.176SC..Hα-helixtrans-61.2-39.7-180-58.50000112.6H1327 L1328 A1335H1327-S1331 PolarHBondContact O-N 3.14Å; H1327-S1331 PolarHBondContact O-OG 3.34Å; H1327-S1331 VanDerWaalsContact O-OG 3.09Å; L1328-S1331 PolarHBondContact O-N 3.14Å; S1331-A1335 VanDerWaalsContact O-CB 3.24Å; S1331-A1335 WeakPolarHBondContact O-CB 3.4Å; S1331-A1335 PolarHBondContact O-N 3.32Å
1332V82.9Confident77.3Confident3 Ų328.1 Ų28.12%0.01816%0.155CC..Hα-helixtrans-64.6-43.9174171.80000111.1F1269 I1273 L1276 Y1307 L1310 L1328 R1330 A1335 V1336F1269-V1332 HydrophobicContact CE1-CG2 3.76Å; F1269-V1332 HydrophobicContact CZ-CG2 3.7Å; I1273-V1332 HydrophobicContact CD1-CG2 4.36Å; I1273-V1332 HydrophobicContact CG1-CG2 3.66Å; L1276-V1332 HydrophobicContact CD1-CG1 3.91Å; Y1307-V1332 HydrophobicContact CD1-CG1 4.38Å; Y1307-V1332 HydrophobicContact CE1-CG1 3.79Å; L1310-V1332 HydrophobicContact CD1-CG1 4.2Å; L1328-V1332 WeakPolarHBondContact O-CG2 3.48Å; L1328-V1332 PolarHBondContact O-N 2.95Å; R1330-V1332 VanDerWaalsContact C-N 3.33Å; R1330-V1332 PolarHBondContact O-N 3.11Å; V1332-A1335 PolarHBondContact O-N 3.33Å; V1332-V1336 HydrophobicContact CG1-CG2 4.45Å; V1332-V1336 VanDerWaalsContact O-CG2 3.31Å; V1332-V1336 WeakPolarHBondContact O-CG2 3.48Å; V1332-V1336 PolarHBondContact O-N 3.32Å
1333T81.4Confident78.8Confident6 Ų620.7 Ų20.74%0.03711%0.11CC..Hα-helixtrans-66-45.8-178.6-52.30000111.7C1329 R1330 A1335 V1336 L1337 L1368 I1372C1329-T1333 PolarHBondContact O-N 3.45Å; C1329-T1333 VanDerWaalsContact O-N 3.07Å; C1329-T1333 PolarHBondContact O-OG1 3Å; R1330-T1333 PolarHBondContact O-N 3.18Å; R1330-T1333 VanDerWaalsContact O-N 3.11Å; T1333-A1335 VanDerWaalsContact C-N 3.33Å; T1333-A1335 PolarHBondContact O-N 2.82Å; T1333-V1336 PolarHBondContact O-N 3.5Å; T1333-L1337 HydrophobicContact CG2-CD1 3.96Å; T1333-L1337 HydrophobicContact CG2-CG 4.5Å; T1333-L1337 WeakPolarHBondContact O-CB 3.25Å; T1333-L1337 WeakPolarHBondContact O-CG 3.35Å; T1333-L1337 PolarHBondContact O-N 3.47Å; T1333-L1368 HydrophobicContact CG2-CD2 4.06Å; T1333-I1372 HydrophobicContact CG2-CD1 3.53Å
1334F83.6Confident79.7Confident56 Ų5617.1 Ų17.125%0.2469%0.091CC..Hα-helixtrans-54.9-49.8172.6-177.7-98.8000111.2R1330 V1336 L1337 L1338 E1387 I1388 I1391R1330-F1334 WeakPolarHBondContact O-CB 3.27Å; R1330-F1334 PolarHBondContact O-N 3.43Å; F1334-V1336 PolarHBondContact O-N 2.83Å; F1334-L1337 PolarHBondContact O-N 2.9Å; F1334-L1338 HydrophobicContact CE1-CD2 3.86Å; F1334-L1338 HydrophobicContact CZ-CD2 4.27Å; F1334-L1338 VanDerWaalsContact O-CB 3.26Å; F1334-L1338 WeakPolarHBondContact O-CB 3.42Å; F1334-L1338 PolarHBondContact O-N 3.43Å; F1334-E1387 HydrophobicContact CE2-CB 3.94Å; F1334-I1388 HydrophobicContact CB-CD1 4.38Å; F1334-I1388 HydrophobicContact CB-CG1 3.89Å; F1334-I1388 HydrophobicContact CD2-CG1 3.7Å; F1334-I1388 HydrophobicContact CG-CG1 4.27Å; F1334-I1391 HydrophobicContact CD2-CD1 3.71Å; F1334-I1391 HydrophobicContact CE2-CD1 3.13Å; F1334-I1391 HydrophobicContact CE2-CG1 4.35Å; F1334-I1391 HydrophobicContact CZ-CD1 3.6Å
1335A84Confident80.3Confident11 Ų1120 Ų209%0.09111%0.105CC..Hα-helixtrans-63.3-41.3-177.100000112.9L1276 L1280 S1331 V1332 T1333 L1339L1276-A1335 HydrophobicContact CB-CB 4.17Å; L1276-A1335 HydrophobicContact CD1-CB 4.43Å; L1280-A1335 HydrophobicContact CD1-CB 3.68Å; L1280-A1335 WeakPolarHBondContact CD2-O 3.44Å; S1331-A1335 VanDerWaalsContact O-CB 3.24Å; S1331-A1335 WeakPolarHBondContact O-CB 3.4Å; S1331-A1335 PolarHBondContact O-N 3.32Å; V1332-A1335 PolarHBondContact O-N 3.33Å; T1333-A1335 VanDerWaalsContact C-N 3.33Å; T1333-A1335 PolarHBondContact O-N 2.82Å; A1335-L1339 VanDerWaalsContact O-CB 3.25Å; A1335-L1339 WeakPolarHBondContact O-CB 3.26Å; A1335-L1339 PolarHBondContact O-N 3.06Å
1336V86.6Confident80.6Confident5 Ų519.9 Ų19.93%0.0311%0.106CC..Hα-helixtrans-68.2-42.6178.7174.20000111.4L1276 Y1307 V1332 T1333 F1334 L1339 C1340 F1361L1276-V1336 HydrophobicContact CD1-CG2 3.96Å; L1276-V1336 HydrophobicContact CD2-CG2 4.04Å; Y1307-V1336 HydrophobicContact CE1-CG2 3.99Å; V1332-V1336 HydrophobicContact CG1-CG2 4.45Å; V1332-V1336 VanDerWaalsContact O-CG2 3.31Å; V1332-V1336 WeakPolarHBondContact O-CG2 3.48Å; V1332-V1336 PolarHBondContact O-N 3.32Å; T1333-V1336 PolarHBondContact O-N 3.5Å; F1334-V1336 PolarHBondContact O-N 2.83Å; V1336-L1339 WeakPolarHBondContact O-CB 3.38Å; V1336-L1339 PolarHBondContact O-N 3.25Å; V1336-C1340 PolarHBondContact O-N 3.49Å; V1336-C1340 PolarHBondContact O-SG 3.35Å; V1336-F1361 HydrophobicContact CG1-CE1 4.13Å; V1336-F1361 HydrophobicContact CG1-CE2 4.48Å; V1336-F1361 HydrophobicContact CG1-CZ 3.61Å
1337L85.4Confident80.6Confident5 Ų520.2 Ų20.23%0.02611%0.108CC..Hα-helixtrans-68.1-40.5178.5-69.2172.7000111.9T1333 F1334 L1339 C1340 N1341 L1369 I1388 I1391 T1392 V1395T1333-L1337 HydrophobicContact CG2-CD1 3.96Å; T1333-L1337 HydrophobicContact CG2-CG 4.5Å; T1333-L1337 WeakPolarHBondContact O-CB 3.25Å; T1333-L1337 WeakPolarHBondContact O-CG 3.35Å; T1333-L1337 PolarHBondContact O-N 3.47Å; F1334-L1337 PolarHBondContact O-N 2.9Å; L1337-L1339 VanDerWaalsContact C-N 3.32Å; L1337-L1339 PolarHBondContact O-N 2.78Å; L1337-C1340 WeakPolarHBondContact O-CB 3.27Å; L1337-C1340 PolarHBondContact O-N 3.47Å; L1337-N1341 PolarHBondContact O-N 3.11Å; L1337-L1369 HydrophobicContact CD2-CD2 4.08Å; L1337-I1388 HydrophobicContact CD1-CG2 4.47Å; L1337-I1391 HydrophobicContact CB-CG2 3.72Å; L1337-T1392 VanDerWaalsContact CD1-OG1 3.23Å; L1337-T1392 WeakPolarHBondContact CD1-OG1 3.33Å; L1337-V1395 WeakPolarHBondContact O-CG2 3.45Å
1338L86.3Confident80.1Confident33 Ų3322.6 Ų22.617%0.17312%0.123CC..Hα-helixtrans-65-37.7175.3-176.763.5000111.4L1280 F1334 C1340 N1341 H1342 I1391L1280-L1338 HydrophobicContact CD1-CD2 4.43Å; L1280-L1338 HydrophobicContact CD2-CB 3.86Å; L1280-L1338 HydrophobicContact CD2-CD2 3.89Å; L1280-L1338 HydrophobicContact CD2-CG 3.75Å; F1334-L1338 HydrophobicContact CE1-CD2 3.86Å; F1334-L1338 HydrophobicContact CZ-CD2 4.27Å; F1334-L1338 VanDerWaalsContact O-CB 3.26Å; F1334-L1338 WeakPolarHBondContact O-CB 3.42Å; F1334-L1338 PolarHBondContact O-N 3.43Å; L1338-C1340 VanDerWaalsContact C-N 3.35Å; L1338-N1341 WeakPolarHBondContact O-CB 3.29Å; L1338-N1341 PolarHBondContact O-N 3.48Å; L1338-H1342 PolarHBondContact O-CD2 3.39Å; L1338-H1342 PolarHBondContact O-N 2.92Å; L1338-I1391 HydrophobicContact CB-CD1 4.15Å; L1338-I1391 HydrophobicContact CD1-CD1 3.95Å
1339L86.7Confident79Confident0 Ų032.5 Ų32.50%016%0.159CC..Hα-helixtrans-62.1-43.6173.8-174.563.9000111F1279 L1280 A1283 L1297 A1335 V1336 L1337 N1341 H1342 M1343F1279-L1339 HydrophobicContact CB-CD1 4.03Å; F1279-L1339 HydrophobicContact CB-CD2 4.04Å; F1279-L1339 HydrophobicContact CD2-CD2 4.4Å; L1280-L1339 HydrophobicContact CD2-CB 3.85Å; L1280-L1339 HydrophobicContact CD2-CD1 4.37Å; A1283-L1339 HydrophobicContact CB-CD1 3.53Å; L1297-L1339 HydrophobicContact CD2-CD2 3.8Å; L1297-L1339 HydrophobicContact CD2-CG 4.4Å; A1335-L1339 VanDerWaalsContact O-CB 3.25Å; A1335-L1339 WeakPolarHBondContact O-CB 3.26Å; A1335-L1339 PolarHBondContact O-N 3.06Å; V1336-L1339 WeakPolarHBondContact O-CB 3.38Å; V1336-L1339 PolarHBondContact O-N 3.25Å; L1337-L1339 VanDerWaalsContact C-N 3.32Å; L1337-L1339 PolarHBondContact O-N 2.78Å; L1339-N1341 VanDerWaalsContact C-N 3.31Å; L1339-N1341 PolarHBondContact O-N 2.83Å; L1339-H1342 PolarHBondContact O-N 2.91Å; L1339-M1343 WeakPolarHBondContact O-CG 3.33Å; L1339-M1343 PolarHBondContact O-N 2.8Å
1340C84.4Confident78.1Confident1 Ų139.8 Ų39.81%0.00719%0.193CC..Hα-helixtrans-61.6-39.4173.7-64.70000111.9V1336 L1337 L1338 M1343 L1344 L1358 V1395V1336-C1340 PolarHBondContact O-N 3.49Å; V1336-C1340 PolarHBondContact O-SG 3.35Å; L1337-C1340 WeakPolarHBondContact O-CB 3.27Å; L1337-C1340 PolarHBondContact O-N 3.47Å; L1338-C1340 VanDerWaalsContact C-N 3.35Å; C1340-M1343 PolarHBondContact O-N 2.89Å; C1340-L1344 WeakPolarHBondContact O-CG 3.43Å; C1340-L1344 PolarHBondContact O-N 2.84Å; C1340-L1358 HydrophobicContact CB-CD1 3.91Å; C1340-V1395 HydrophobicContact CB-CG1 4.21Å; C1340-V1395 HydrophobicContact CB-CG2 4.42Å
1341N84.7Confident77.4Confident23 Ų2340.3 Ų40.312%0.12320%0.201CC..Hα-helixtrans-64.3-41.2177.1-16743.7000112.2L1337 L1338 L1339 L1344 D1345 I1391 S1394 V1395 R1398L1337-N1341 PolarHBondContact O-N 3.11Å; L1338-N1341 WeakPolarHBondContact O-CB 3.29Å; L1338-N1341 PolarHBondContact O-N 3.48Å; L1339-N1341 VanDerWaalsContact C-N 3.31Å; L1339-N1341 PolarHBondContact O-N 2.83Å; N1341-L1344 WeakPolarHBondContact O-CB 3.46Å; N1341-L1344 PolarHBondContact O-N 3.4Å; N1341-D1345 PolarHBondContact O-N 2.88Å; N1341-I1391 HydrophobicContact CB-CG2 4.49Å; N1341-S1394 PolarHBondContact OD1-OG 3.25Å; N1341-V1395 HydrophobicContact CB-CG2 3.82Å; N1341-R1398 PolarHBondContact O-NH1 3Å; N1341-R1398 PolarHBondContact OD1-NH1 2.97Å
1342H83.6Confident76.8Confident32 Ų3243.6 Ų43.615%0.14821%0.21CC..Hα-helixtrans-68.4-36.8173.9-72.8-47.1000112.9A1283 L1338 L1339 L1344 D1345A1283-H1342 HydrophobicContact CB-CB 3.93Å; L1338-H1342 PolarHBondContact O-CD2 3.39Å; L1338-H1342 PolarHBondContact O-N 2.92Å; L1339-H1342 PolarHBondContact O-N 2.91Å; H1342-L1344 VanDerWaalsContact C-N 3.28Å; H1342-L1344 PolarHBondContact O-N 3.13Å; H1342-D1345 IonicContact ND1-OD2 2.96Å; H1342-D1345 PolarHBondContact ND1-OD2 3.11Å; H1342-D1345 WeakPolarHBondContact O-CB 3.4Å; H1342-D1345 PolarHBondContact O-N 3.47Å; H1342-D1345 VanDerWaalsContact O-N 3.11Å
1343M81.7Confident76.3Confident3 Ų349 Ų492%0.01524%0.239CC..Hα-helixtrans-63.6-36.6172.1-69.4-17772.500111.4F1292 V1293 L1297 L1298 L1339 C1340 D1345 V1346 L1347F1292-M1343 HydrophobicContact CB-CE 4.2Å; F1292-M1343 HydrophobicContact CB-SD 4.45Å; V1293-M1343 HydrophobicContact CG2-CE 3.82Å; L1297-M1343 HydrophobicContact CD2-SD 4.15Å; L1298-M1343 HydrophobicContact CD1-CE 3.94Å; L1298-M1343 HydrophobicContact CD2-CE 4.42Å; L1298-M1343 HydrophobicContact CD2-SD 4.25Å; L1298-M1343 HydrophobicContact CG-CE 3.77Å; L1298-M1343 HydrophobicContact CG-SD 4.22Å; L1339-M1343 WeakPolarHBondContact O-CG 3.33Å; L1339-M1343 PolarHBondContact O-N 2.8Å; C1340-M1343 PolarHBondContact O-N 2.89Å; M1343-D1345 PolarHBondContact O-N 3.35Å; M1343-V1346 PolarHBondContact O-N 3.15Å; M1343-V1346 VanDerWaalsContact O-N 3.14Å; M1343-L1347 VanDerWaalsContact O-CG 3.27Å; M1343-L1347 WeakPolarHBondContact O-CG 3.19Å; M1343-L1347 PolarHBondContact O-N 2.79Å
1344L78Confident75.8Confident0 Ų049.4 Ų49.40%024%0.242CC..Hα-helixtrans-64.9-21.1173.1-77.3168000113.3C1340 N1341 H1342 V1346 L1347 M1355 L1358 V1395 R1398 K1402C1340-L1344 WeakPolarHBondContact O-CG 3.43Å; C1340-L1344 PolarHBondContact O-N 2.84Å; N1341-L1344 WeakPolarHBondContact O-CB 3.46Å; N1341-L1344 PolarHBondContact O-N 3.4Å; H1342-L1344 VanDerWaalsContact C-N 3.28Å; H1342-L1344 PolarHBondContact O-N 3.13Å; L1344-V1346 VanDerWaalsContact C-N 3.29Å; L1344-L1347 HydrophobicContact CD2-CD1 4.45Å; L1344-M1355 HydrophobicContact CD2-CE 4.15Å; L1344-M1355 HydrophobicContact CD2-SD 3.79Å; L1344-L1358 HydrophobicContact CD1-CD2 3.93Å; L1344-L1358 HydrophobicContact CD2-CD2 3.6Å; L1344-L1358 HydrophobicContact CG-CD2 3.78Å; L1344-V1395 HydrophobicContact CD1-CG1 4.2Å; L1344-R1398 HydrophobicContact CD1-CB 3.88Å; L1344-K1402 HydrophobicContact CD2-CD 4.43Å; L1344-K1402 PolarHBondContact O-NZ 3.02Å
1345D78.7Confident75.4Confident84 Ų8447.5 Ų47.545%0.44923%0.234SC..Hα-helixtrans-68-31.4172.7-63.4-30.8000111.8N1341 H1342 M1343 R1398N1341-D1345 PolarHBondContact O-N 2.88Å; H1342-D1345 IonicContact ND1-OD2 2.96Å; H1342-D1345 PolarHBondContact ND1-OD2 3.11Å; H1342-D1345 WeakPolarHBondContact O-CB 3.4Å; H1342-D1345 PolarHBondContact O-N 3.47Å; H1342-D1345 VanDerWaalsContact O-N 3.11Å; M1343-D1345 PolarHBondContact O-N 3.35Å; D1345-R1398 IonicContact OD1-CZ 2.9Å; D1345-R1398 IonicContact OD1-NH1 3.82Å; D1345-R1398 PolarHBondContact OD1-NH1 3.36Å; D1345-R1398 IonicContact OD1-NH2 2.85Å; D1345-R1398 PolarHBondContact OD1-NH2 3.02Å
1346V77.2Confident74.9Confident33 Ų3350.8 Ų50.820%0.225%0.25CC..Hα-helixtrans-97-24.5-174.9176.90000113P1286 I1290 M1343 L1344 D1348P1286-V1346 HydrophobicContact CB-CG2 4.28Å; I1290-V1346 HydrophobicContact CB-CG1 4.28Å; I1290-V1346 HydrophobicContact CD1-CG1 4.3Å; I1290-V1346 HydrophobicContact CG1-CG1 3.27Å; M1343-V1346 PolarHBondContact O-N 3.15Å; M1343-V1346 VanDerWaalsContact O-N 3.14Å; L1344-V1346 VanDerWaalsContact C-N 3.29Å; V1346-D1348 PolarHBondContact O-N 3.49Å
1347L71.3Confident74.5Confident8 Ų853.1 Ų53.14%0.04226%0.259CS..  trans-71.788.5-179.8-73.5167.1000111V1293 M1343 L1344 M1355 K1402V1293-L1347 HydrophobicContact CG1-CD2 4.35Å; V1293-L1347 HydrophobicContact CG2-CD2 3.92Å; V1293-L1347 HydrophobicContact CG2-CG 4.37Å; M1343-L1347 VanDerWaalsContact O-CG 3.27Å; M1343-L1347 WeakPolarHBondContact O-CG 3.19Å; M1343-L1347 PolarHBondContact O-N 2.79Å; L1344-L1347 HydrophobicContact CD2-CD1 4.45Å; L1347-M1355 HydrophobicContact CB-SD 4.39Å; L1347-M1355 HydrophobicContact CD1-SD 4.04Å; L1347-K1402 PolarHBondContact O-NZ 2.8Å
1348D60.9Low74.2Confident111 Ų11153 Ų5359%0.59426%0.259SS*.  trans-74.4162.3161.3-73.7-23.8000110.3V1346 Q1350 G1351V1346-D1348 PolarHBondContact O-N 3.49Å; D1348-Q1350 PolarHBondContact O-N 3.42Å; D1348-G1351 PolarHBondContact O-N 3.19Å
1349W51.2Low73.7Confident221 Ų22152.9 Ų52.984%0.83726%0.259SS*.THydrogen-bonded Turntrans-45.4-11.8-175.554.4-86.8000117.1
1350Q56.5Low73.4Confident153 Ų15356.7 Ų56.772%0.71528%0.279SS*.THydrogen-bonded Turntrans-78.3-17.2175.3-62.5-165.2-1100114.2D1348 K1352D1348-Q1350 PolarHBondContact O-N 3.42Å; Q1350-K1352 VanDerWaalsContact C-N 3.31Å; Q1350-K1352 PolarHBondContact O-N 2.95Å
1351G61.2Low73.3Confident17 Ų1757 Ų5718%0.17528%0.28CS..  trans-86.842-177.500000115.1D1348 D1353 S1354 M1355D1348-G1351 PolarHBondContact O-N 3.19Å; G1351-D1353 VanDerWaalsContact C-N 3.32Å; G1351-D1353 PolarHBondContact O-N 2.86Å; G1351-S1354 WeakPolarHBondContact O-CB 3.4Å; G1351-S1354 PolarHBondContact O-N 3.22Å; G1351-M1355 PolarHBondContact O-N 3.49Å
1352K66.4Low72.9Confident110 Ų11056.8 Ų56.848%0.47828%0.279SS..Hα-helixtrans-54.4-46.6-174-164.8171.3-175.8168.50112.3Q1350 S1354 M1355 D1356Q1350-K1352 VanDerWaalsContact C-N 3.31Å; Q1350-K1352 PolarHBondContact O-N 2.95Å; K1352-S1354 VanDerWaalsContact C-N 3.28Å; K1352-S1354 PolarHBondContact O-N 3.35Å; K1352-M1355 PolarHBondContact O-N 2.84Å; K1352-M1355 VanDerWaalsContact O-N 3.15Å; K1352-D1356 PolarHBondContact O-N 3.36Å
1353D71.9Confident72.4Confident118 Ų11855.8 Ų55.863%0.63128%0.275SS*.Hα-helixtrans-59.4-37.4176.7-66.40.8000112.9G1351 K1357G1351-D1353 VanDerWaalsContact C-N 3.32Å; G1351-D1353 PolarHBondContact O-N 2.86Å; D1353-K1357 WeakPolarHBondContact O-CB 3.26Å; D1353-K1357 WeakPolarHBondContact O-CD 3.2Å; D1353-K1357 WeakPolarHBondContact O-CG 3.47Å; D1353-K1357 PolarHBondContact O-N 3.24Å
1354S72.6Confident72.3Confident14 Ų1458.9 Ų58.910%0.09829%0.291CS..Hα-helixtrans-73.4-35.6178.6-57.40000112L1298 G1351 K1352 K1357 L1358L1298-S1354 VanDerWaalsContact CD1-O 3.31Å; L1298-S1354 WeakPolarHBondContact CD1-O 3.39Å; G1351-S1354 WeakPolarHBondContact O-CB 3.4Å; G1351-S1354 PolarHBondContact O-N 3.22Å; K1352-S1354 VanDerWaalsContact C-N 3.28Å; K1352-S1354 PolarHBondContact O-N 3.35Å; S1354-K1357 PolarHBondContact O-N 2.9Å; S1354-L1358 PolarHBondContact O-N 2.9Å
1355M73.7Confident72.3Confident16 Ų1659 Ų598%0.07929%0.292CS..Hα-helixtrans-66.8-42.8173.6-72.1-62-59.600111.5L1344 L1347 G1351 K1352 K1357 L1358 N1359 S1399 K1402L1344-M1355 HydrophobicContact CD2-CE 4.15Å; L1344-M1355 HydrophobicContact CD2-SD 3.79Å; L1347-M1355 HydrophobicContact CB-SD 4.39Å; L1347-M1355 HydrophobicContact CD1-SD 4.04Å; G1351-M1355 PolarHBondContact O-N 3.49Å; K1352-M1355 PolarHBondContact O-N 2.84Å; K1352-M1355 VanDerWaalsContact O-N 3.15Å; M1355-K1357 VanDerWaalsContact C-N 3.31Å; M1355-K1357 PolarHBondContact O-N 3.27Å; M1355-L1358 PolarHBondContact O-N 3.34Å; M1355-N1359 WeakPolarHBondContact O-CB 3.34Å; M1355-N1359 VanDerWaalsContact O-CG 3.31Å; M1355-N1359 PolarHBondContact O-N 3.08Å; M1355-N1359 PolarHBondContact O-ND2 3.35Å; M1355-S1399 WeakPolarHBondContact CE-O 3.34Å; M1355-K1402 HydrophobicContact CE-CB 3.75Å; M1355-K1402 HydrophobicContact SD-CB 4.44Å
1356D73.4Confident72.2Confident80 Ų8059.4 Ų59.443%0.42829%0.291SS..Hα-helixtrans-62.7-40.6176-67.9-17.3000111.1K1352 N1359 L1360K1352-D1356 PolarHBondContact O-N 3.36Å; D1356-N1359 PolarHBondContact O-N 2.94Å; D1356-L1360 WeakPolarHBondContact O-CB 3.34Å; D1356-L1360 PolarHBondContact O-N 2.88Å
1357K78.4Confident72.1Confident53 Ų5359.2 Ų59.223%0.2329%0.291CS..Hα-helixtrans-62.9-43.2172.3-75.3165.2177.4177.90112.2D1296 L1298 S1299 I1302 D1353 S1354 M1355 L1360 F1361D1296-K1357 WeakPolarHBondContact OD1-CD 3.38Å; D1296-K1357 IonicContact OD1-NZ 2.7Å; D1296-K1357 PolarHBondContact OD1-NZ 2.98Å; D1296-K1357 IonicContact OD2-NZ 2.76Å; D1296-K1357 PolarHBondContact OD2-NZ 3.25Å; L1298-K1357 HydrophobicContact CB-CB 4.07Å; S1299-K1357 VanDerWaalsContact OG-CD 3.27Å; S1299-K1357 WeakPolarHBondContact OG-CD 3.45Å; S1299-K1357 WeakPolarHBondContact OG-CE 3.3Å; S1299-K1357 PolarHBondContact OG-NZ 2.95Å; I1302-K1357 HydrophobicContact CD1-CB 3.83Å; I1302-K1357 HydrophobicContact CD1-CG 4.23Å; I1302-K1357 WeakPolarHBondContact CD1-O 3.14Å; D1353-K1357 WeakPolarHBondContact O-CB 3.26Å; D1353-K1357 WeakPolarHBondContact O-CD 3.2Å; D1353-K1357 WeakPolarHBondContact O-CG 3.47Å; D1353-K1357 PolarHBondContact O-N 3.24Å; S1354-K1357 PolarHBondContact O-N 2.9Å; M1355-K1357 VanDerWaalsContact C-N 3.31Å; M1355-K1357 PolarHBondContact O-N 3.27Å; K1357-L1360 PolarHBondContact O-N 2.82Å; K1357-F1361 PolarHBondContact O-N 3.41Å
1358L79.9Confident72.5Confident2 Ų259.3 Ų59.31%0.0129%0.292CS..Hα-helixtrans-62.3-45176-179.366.3000111.3L1298 C1340 L1344 S1354 M1355 L1360 F1361 L1362L1298-L1358 HydrophobicContact CD1-CB 4.19Å; L1298-L1358 HydrophobicContact CD2-CD1 4Å; C1340-L1358 HydrophobicContact CB-CD1 3.91Å; L1344-L1358 HydrophobicContact CD1-CD2 3.93Å; L1344-L1358 HydrophobicContact CD2-CD2 3.6Å; L1344-L1358 HydrophobicContact CG-CD2 3.78Å; S1354-L1358 PolarHBondContact O-N 2.9Å; M1355-L1358 PolarHBondContact O-N 3.34Å; L1358-L1360 VanDerWaalsContact C-N 3.3Å; L1358-L1360 PolarHBondContact O-N 3.03Å; L1358-F1361 WeakPolarHBondContact O-CB 3.43Å; L1358-F1361 PolarHBondContact O-N 3.24Å; L1358-F1361 VanDerWaalsContact O-N 3.15Å; L1358-L1362 HydrophobicContact CG-CD1 4.49Å; L1358-L1362 WeakPolarHBondContact O-CG 3.32Å; L1358-L1362 PolarHBondContact O-N 3Å
1359N74.7Confident73.2Confident32 Ų3254.4 Ų54.417%0.17127%0.265CS..Hα-helixtrans-62.7-38.8177-70.7-21000111.6M1355 D1356 L1362 A1363M1355-N1359 WeakPolarHBondContact O-CB 3.34Å; M1355-N1359 VanDerWaalsContact O-CG 3.31Å; M1355-N1359 PolarHBondContact O-N 3.08Å; M1355-N1359 PolarHBondContact O-ND2 3.35Å; D1356-N1359 PolarHBondContact O-N 2.94Å; N1359-L1362 PolarHBondContact O-N 3.32Å; N1359-A1363 WeakPolarHBondContact O-CB 3.43Å; N1359-A1363 PolarHBondContact O-N 3.45Å
1360L80.3Confident74.3Confident80 Ų8044.2 Ų44.242%0.41923%0.229SC..Hα-helixtrans-65-39.8173.3-177.961.9000112.2I1302 D1356 K1357 L1358 A1363 I1364I1302-L1360 HydrophobicContact CD1-CB 4.35Å; I1302-L1360 HydrophobicContact CD1-CD2 4.28Å; I1302-L1360 HydrophobicContact CD1-CG 4.44Å; I1302-L1360 HydrophobicContact CG2-CD2 4.27Å; D1356-L1360 WeakPolarHBondContact O-CB 3.34Å; D1356-L1360 PolarHBondContact O-N 2.88Å; K1357-L1360 PolarHBondContact O-N 2.82Å; L1358-L1360 VanDerWaalsContact C-N 3.3Å; L1358-L1360 PolarHBondContact O-N 3.03Å; L1360-A1363 PolarHBondContact O-N 3.17Å; L1360-I1364 HydrophobicContact CD1-CD1 4.05Å; L1360-I1364 HydrophobicContact CD1-CG1 4.3Å; L1360-I1364 HydrophobicContact CG-CD1 3.89Å; L1360-I1364 VanDerWaalsContact O-CG1 3.31Å; L1360-I1364 WeakPolarHBondContact O-CG1 3.35Å; L1360-I1364 PolarHBondContact O-N 3.35Å
1361F82.3Confident75.1Confident8 Ų838.6 Ų38.64%0.03520%0.202CC..Hα-helixtrans-61.2-45.1174.4174.4-97.7000111.8L1301 I1302 Y1307 V1336 K1357 L1358 A1363 I1364 N1365L1301-F1361 HydrophobicContact CB-CD2 4.16Å; L1301-F1361 HydrophobicContact CB-CE2 4.09Å; I1302-F1361 HydrophobicContact CD1-CB 4.37Å; I1302-F1361 HydrophobicContact CG1-CB 3.7Å; I1302-F1361 HydrophobicContact CG1-CD2 4.26Å; I1302-F1361 HydrophobicContact CG1-CG 4.49Å; Y1307-F1361 HydrophobicContact CD2-CE2 4.24Å; V1336-F1361 HydrophobicContact CG1-CE1 4.13Å; V1336-F1361 HydrophobicContact CG1-CE2 4.48Å; V1336-F1361 HydrophobicContact CG1-CZ 3.61Å; K1357-F1361 PolarHBondContact O-N 3.41Å; L1358-F1361 WeakPolarHBondContact O-CB 3.43Å; L1358-F1361 PolarHBondContact O-N 3.24Å; L1358-F1361 VanDerWaalsContact O-N 3.15Å; F1361-A1363 VanDerWaalsContact C-N 3.32Å; F1361-A1363 PolarHBondContact O-N 3.28Å; F1361-I1364 PolarHBondContact O-N 2.86Å; F1361-N1365 WeakPolarHBondContact CD2-ND2 3.45Å; F1361-N1365 WeakPolarHBondContact CE2-ND2 3.22Å; F1361-N1365 WeakPolarHBondContact CZ-ND2 3.3Å; F1361-N1365 PolarHBondContact O-N 2.82Å; F1361-N1365 PolarHBondContact O-ND2 3.35Å
1362L77.3Confident75.7Confident18 Ų1838.1 Ų38.19%0.09420%0.196CC..Hα-helixtrans-63-39.7175.8-65174.5000111.1L1358 N1359 N1365 H1366 L1369 V1395L1358-L1362 HydrophobicContact CG-CD1 4.49Å; L1358-L1362 WeakPolarHBondContact O-CG 3.32Å; L1358-L1362 PolarHBondContact O-N 3Å; N1359-L1362 PolarHBondContact O-N 3.32Å; L1362-N1365 CarbonylContact O-C 3.16Å; L1362-N1365 PolarHBondContact O-N 3.24Å; L1362-H1366 PolarHBondContact O-N 2.91Å; L1362-H1366 VanDerWaalsContact O-N 3.17Å; L1362-L1369 HydrophobicContact CB-CD1 4.34Å; L1362-L1369 HydrophobicContact CD2-CD1 3.81Å; L1362-V1395 HydrophobicContact CD1-CG1 4.35Å; L1362-V1395 HydrophobicContact CD2-CG1 4.13Å
1363A74Confident75.8Confident10 Ų1033.3 Ų33.38%0.08318%0.175CC..Hα-helixtrans-65.2-43.9177.700000113.5N1359 L1360 F1361 N1365 H1366 V1420N1359-A1363 WeakPolarHBondContact O-CB 3.43Å; N1359-A1363 PolarHBondContact O-N 3.45Å; L1360-A1363 PolarHBondContact O-N 3.17Å; F1361-A1363 VanDerWaalsContact C-N 3.32Å; F1361-A1363 PolarHBondContact O-N 3.28Å; A1363-N1365 VanDerWaalsContact C-N 3.31Å; A1363-N1365 PolarHBondContact O-N 2.88Å; A1363-H1366 PolarHBondContact O-N 3.15Å; A1363-H1366 PolarHBondContact O-ND1 3.21Å; A1363-H1366 VanDerWaalsContact O-ND1 3.13Å; A1363-V1420 HydrophobicContact CB-CG2 4.09Å
1364I78.9Confident75.6Confident68 Ų6832 Ų3235%0.34917%0.165SC..Hα-helixtrans-65.4-37.1179.7-70.6164.7000111.2I1302 L1360 F1361I1302-I1364 HydrophobicContact CG2-CD1 3.62Å; L1360-I1364 HydrophobicContact CD1-CD1 4.05Å; L1360-I1364 HydrophobicContact CD1-CG1 4.3Å; L1360-I1364 HydrophobicContact CG-CD1 3.89Å; L1360-I1364 VanDerWaalsContact O-CG1 3.31Å; L1360-I1364 WeakPolarHBondContact O-CG1 3.35Å; L1360-I1364 PolarHBondContact O-N 3.35Å; F1361-I1364 PolarHBondContact O-N 2.86Å
1365N77.9Confident75.2Confident4 Ų432.5 Ų32.52%0.02117%0.166CC..THydrogen-bonded Turntrans-9617.5-177.8-63.5-62.5000113.7F1361 L1362 A1363 S1367 L1368 L1369F1361-N1365 WeakPolarHBondContact CD2-ND2 3.45Å; F1361-N1365 WeakPolarHBondContact CE2-ND2 3.22Å; F1361-N1365 WeakPolarHBondContact CZ-ND2 3.3Å; F1361-N1365 PolarHBondContact O-N 2.82Å; F1361-N1365 PolarHBondContact O-ND2 3.35Å; L1362-N1365 CarbonylContact O-C 3.16Å; L1362-N1365 PolarHBondContact O-N 3.24Å; A1363-N1365 VanDerWaalsContact C-N 3.31Å; A1363-N1365 PolarHBondContact O-N 2.88Å; N1365-S1367 PolarHBondContact O-N 3.12Å; N1365-S1367 VanDerWaalsContact O-N 3.09Å; N1365-L1368 PolarHBondContact O-N 3.49Å; N1365-L1369 PolarHBondContact O-N 2.96Å; N1365-L1369 VanDerWaalsContact O-N 3.16Å
1366H76Confident74.5Confident91 Ų9132.8 Ų32.842%0.42117%0.17SC..Hα-helixtrans-51.4-38.3-178.275.1-83.8000112.6L1362 A1363 L1368 L1369 A1370 V1420 L1424L1362-H1366 PolarHBondContact O-N 2.91Å; L1362-H1366 VanDerWaalsContact O-N 3.17Å; A1363-H1366 PolarHBondContact O-N 3.15Å; A1363-H1366 PolarHBondContact O-ND1 3.21Å; A1363-H1366 VanDerWaalsContact O-ND1 3.13Å; H1366-L1368 VanDerWaalsContact C-N 3.33Å; H1366-L1368 PolarHBondContact O-N 3.38Å; H1366-L1369 PolarHBondContact O-N 3.06Å; H1366-A1370 WeakPolarHBondContact O-CB 3.43Å; H1366-A1370 PolarHBondContact O-N 3.28Å; H1366-V1420 HydrophobicContact CB-CG1 3.64Å; H1366-L1424 HydrophobicContact CB-CD1 3.98Å
1367S76Confident73.6Confident30 Ų3030.5 Ų30.521%0.2116%0.156CC..Hα-helixtrans-65.4-34.9-178.960.30000113N1365 H1371N1365-S1367 PolarHBondContact O-N 3.12Å; N1365-S1367 VanDerWaalsContact O-N 3.09Å; S1367-H1371 VanDerWaalsContact O-CB 3.26Å; S1367-H1371 WeakPolarHBondContact O-CB 3.2Å; S1367-H1371 PolarHBondContact O-N 2.87Å; S1367-H1371 VanDerWaalsContact O-N 3.09Å
1368L78.4Confident72.9Confident9 Ų935.2 Ų35.25%0.04718%0.178CC..Hα-helixtrans-71.5-45.7175.5176.365.5000110.2L1310 Y1314 T1333 N1365 H1366 H1371 I1372L1310-L1368 HydrophobicContact CB-CD1 4.01Å; L1310-L1368 HydrophobicContact CB-CD2 4.35Å; L1310-L1368 HydrophobicContact CD1-CD2 4.23Å; Y1314-L1368 HydrophobicContact CD2-CD1 4.28Å; Y1314-L1368 HydrophobicContact CE2-CD1 4.11Å; T1333-L1368 HydrophobicContact CG2-CD2 4.06Å; N1365-L1368 PolarHBondContact O-N 3.49Å; H1366-L1368 VanDerWaalsContact C-N 3.33Å; H1366-L1368 PolarHBondContact O-N 3.38Å; L1368-H1371 PolarHBondContact O-N 3.45Å; L1368-I1372 HydrophobicContact CD1-CD1 4.11Å; L1368-I1372 HydrophobicContact CD1-CG1 4.48Å; L1368-I1372 HydrophobicContact CG-CD1 3.91Å; L1368-I1372 WeakPolarHBondContact O-CD1 3.28Å; L1368-I1372 VanDerWaalsContact O-CG1 3.25Å; L1368-I1372 WeakPolarHBondContact O-CG1 3.28Å; L1368-I1372 PolarHBondContact O-N 3.33Å
1369L77Confident71.8Confident8 Ų837.1 Ų37.14%0.04219%0.191CC..Hα-helixtrans-64.5-44.6179.8-59.1175.3000111.6L1337 L1362 N1365 H1366 H1371 I1372 L1373 T1392 L1424L1337-L1369 HydrophobicContact CD2-CD2 4.08Å; L1362-L1369 HydrophobicContact CB-CD1 4.34Å; L1362-L1369 HydrophobicContact CD2-CD1 3.81Å; N1365-L1369 PolarHBondContact O-N 2.96Å; N1365-L1369 VanDerWaalsContact O-N 3.16Å; H1366-L1369 PolarHBondContact O-N 3.06Å; L1369-H1371 PolarHBondContact O-N 2.83Å; L1369-I1372 PolarHBondContact O-N 3.08Å; L1369-L1373 WeakPolarHBondContact O-CB 3.46Å; L1369-L1373 VanDerWaalsContact O-CG 3.28Å; L1369-L1373 WeakPolarHBondContact O-CG 3.15Å; L1369-L1373 PolarHBondContact O-N 3.21Å; L1369-T1392 HydrophobicContact CD2-CG2 3.87Å; L1369-L1424 HydrophobicContact CB-CD2 4.01Å
1370A73Confident70.9Confident8 Ų839.5 Ų39.57%0.06620%0.203CC..Hα-helixtrans-58.9-45.9173.300000111H1366 I1372 L1373 Q1374 L1424 E1427H1366-A1370 WeakPolarHBondContact O-CB 3.43Å; H1366-A1370 PolarHBondContact O-N 3.28Å; A1370-I1372 PolarHBondContact O-N 3.38Å; A1370-L1373 PolarHBondContact O-N 3.48Å; A1370-Q1374 VanDerWaalsContact O-CB 3.28Å; A1370-Q1374 WeakPolarHBondContact O-CB 3.43Å; A1370-Q1374 WeakPolarHBondContact O-CG 3.26Å; A1370-Q1374 PolarHBondContact O-N 2.88Å; A1370-L1424 HydrophobicContact CB-CD1 4.43Å; A1370-E1427 WeakPolarHBondContact CB-OE2 3.19Å
1371H73.5Confident70Confident35 Ų3539.6 Ų39.616%0.16220%0.204CC..Hα-helixtrans-62.7-41.5177.1-174.174000112.5D1315 S1367 L1368 L1369 L1373 Q1374 K1375D1315-H1371 IonicContact OD1-NE2 3.74Å; D1315-H1371 IonicContact OD2-CE1 3.8Å; S1367-H1371 VanDerWaalsContact O-CB 3.26Å; S1367-H1371 WeakPolarHBondContact O-CB 3.2Å; S1367-H1371 PolarHBondContact O-N 2.87Å; S1367-H1371 VanDerWaalsContact O-N 3.09Å; L1368-H1371 PolarHBondContact O-N 3.45Å; L1369-H1371 PolarHBondContact O-N 2.83Å; H1371-L1373 PolarHBondContact O-N 2.79Å; H1371-Q1374 PolarHBondContact O-N 3.07Å; H1371-K1375 WeakPolarHBondContact O-CB 3.27Å; H1371-K1375 PolarHBondContact O-N 2.78Å
1372I73.1Confident68.9Low7 Ų742.5 Ų42.54%0.03622%0.219CC..Hα-helixtrans-61.3-45.4176-71.1162.6000110.8Y1314 T1333 L1368 L1369 A1370 K1375 A1376 I1388 V1389Y1314-I1372 HydrophobicContact CE1-CG1 4.12Å; T1333-I1372 HydrophobicContact CG2-CD1 3.53Å; L1368-I1372 HydrophobicContact CD1-CD1 4.11Å; L1368-I1372 HydrophobicContact CD1-CG1 4.48Å; L1368-I1372 HydrophobicContact CG-CD1 3.91Å; L1368-I1372 WeakPolarHBondContact O-CD1 3.28Å; L1368-I1372 VanDerWaalsContact O-CG1 3.25Å; L1368-I1372 WeakPolarHBondContact O-CG1 3.28Å; L1368-I1372 PolarHBondContact O-N 3.33Å; L1369-I1372 PolarHBondContact O-N 3.08Å; A1370-I1372 PolarHBondContact O-N 3.38Å; I1372-K1375 CarbonylContact O-C 3.6Å; I1372-K1375 PolarHBondContact O-N 3.44Å; I1372-A1376 PolarHBondContact O-N 2.97Å; I1372-I1388 HydrophobicContact CD1-CG2 4.31Å; I1372-I1388 HydrophobicContact CG2-CG2 3.8Å; I1372-V1389 HydrophobicContact CG2-CG2 3.97Å
1373L68.8Low68.3Low9 Ų947.1 Ų47.15%0.04724%0.244CC..Hα-helixtrans-71.6-34.8-179.9-65.2168.8000111.8L1369 A1370 H1371 K1375 A1376 W1377 V1389 T1392 L1393 I1396 L1424 I1428L1369-L1373 WeakPolarHBondContact O-CB 3.46Å; L1369-L1373 VanDerWaalsContact O-CG 3.28Å; L1369-L1373 WeakPolarHBondContact O-CG 3.15Å; L1369-L1373 PolarHBondContact O-N 3.21Å; A1370-L1373 PolarHBondContact O-N 3.48Å; H1371-L1373 PolarHBondContact O-N 2.79Å; L1373-K1375 VanDerWaalsContact C-N 3.27Å; L1373-K1375 PolarHBondContact O-N 2.81Å; L1373-A1376 VanDerWaalsContact O-CB 3.32Å; L1373-A1376 WeakPolarHBondContact O-CB 3.32Å; L1373-W1377 VanDerWaalsContact O-CD1 3.27Å; L1373-W1377 PolarHBondContact O-NE1 3.29Å; L1373-V1389 HydrophobicContact CD2-CG1 4.11Å; L1373-T1392 HydrophobicContact CD1-CG2 4.35Å; L1373-T1392 HydrophobicContact CD2-CG2 4.35Å; L1373-T1392 HydrophobicContact CG-CG2 4.4Å; L1373-L1393 HydrophobicContact CD2-CD1 4.49Å; L1373-L1393 HydrophobicContact CD2-CG 4.23Å; L1373-I1396 HydrophobicContact CD1-CD1 4.43Å; L1373-L1424 HydrophobicContact CD1-CD2 3.51Å; L1373-I1428 HydrophobicContact CB-CD1 4.42Å; L1373-I1428 HydrophobicContact CB-CG1 4.2Å; L1373-I1428 HydrophobicContact CD1-CD1 3.64Å; L1373-I1428 HydrophobicContact CD1-CG1 4.29Å; L1373-I1428 HydrophobicContact CG-CD1 4.49Å
1374Q68.5Low67.9Low89 Ų8950 Ų5042%0.41626%0.256SS..Hα-helixtrans-69-24.4170.8-73.5176.112.400112.6A1370 H1371 E1427A1370-Q1374 VanDerWaalsContact O-CB 3.28Å; A1370-Q1374 WeakPolarHBondContact O-CB 3.43Å; A1370-Q1374 WeakPolarHBondContact O-CG 3.26Å; A1370-Q1374 PolarHBondContact O-N 2.88Å; H1371-Q1374 PolarHBondContact O-N 3.07Å; Q1374-E1427 PolarHBondContact NE2-OE2 3.31Å
1375K63.5Low67.3Low26 Ų2647.3 Ų47.311%0.11324%0.242CC..Hα-helixtrans-93.5-18.2178.5-155.6178.4172.7-174.40112.9Y1314 D1315 H1371 I1372 L1373 W1377 H1378Y1314-K1375 HydrophobicContact CD1-CD 4.42Å; Y1314-K1375 PolarHBondContact O-NZ 3.47Å; D1315-K1375 WeakPolarHBondContact OD1-CD 3.21Å; D1315-K1375 WeakPolarHBondContact OD1-CE 3.32Å; D1315-K1375 IonicContact OD1-NZ 2.83Å; D1315-K1375 PolarHBondContact OD1-NZ 2.91Å; H1371-K1375 WeakPolarHBondContact O-CB 3.27Å; H1371-K1375 PolarHBondContact O-N 2.78Å; I1372-K1375 CarbonylContact O-C 3.6Å; I1372-K1375 PolarHBondContact O-N 3.44Å; L1373-K1375 VanDerWaalsContact C-N 3.27Å; L1373-K1375 PolarHBondContact O-N 2.81Å; K1375-W1377 PolarHBondContact O-N 3.08Å; K1375-H1378 CarbonylContact O-C 3.55Å; K1375-H1378 WeakPolarHBondContact O-CA 3.17Å; K1375-H1378 PolarHBondContact O-N 3.28Å
1376A59Low66.8Low21 Ų2148 Ų4817%0.17425%0.246CC..THydrogen-bonded Turntrans-52.1-25.1168.400000112.7I1372 L1373 H1378 V1389I1372-A1376 PolarHBondContact O-N 2.97Å; L1373-A1376 VanDerWaalsContact O-CB 3.32Å; L1373-A1376 WeakPolarHBondContact O-CB 3.32Å; A1376-H1378 VanDerWaalsContact C-N 3.32Å; A1376-V1389 HydrophobicContact CB-CB 4.4Å; A1376-V1389 HydrophobicContact CB-CG1 4.1Å; A1376-V1389 HydrophobicContact CB-CG2 3.47Å; A1376-V1389 VanDerWaalsContact CB-CG2 3.47Å
1377W55.9Low66.7Low33 Ų3348.4 Ų48.413%0.12525%0.248CC..THydrogen-bonded Turntrans-74.4-18.6176.2-49.6111.3000113.4L1373 K1375 I1428 Y1432 F1435L1373-W1377 VanDerWaalsContact O-CD1 3.27Å; L1373-W1377 PolarHBondContact O-NE1 3.29Å; K1375-W1377 PolarHBondContact O-N 3.08Å; W1377-I1428 HydrophobicContact CZ2-CG2 4.01Å; W1377-Y1432 VanDerWaalsContact CH2-CA 3.4Å; W1377-Y1432 AromaticContact CH2-CD2 3.6Å; W1377-Y1432 HydrophobicContact CH2-CD2 3.6Å; W1377-Y1432 HydrophobicContact CH2-CG 4.04Å; W1377-Y1432 AromaticContact CZ3-CD2 3.74Å; W1377-Y1432 HydrophobicContact CZ3-CD2 3.74Å; W1377-Y1432 HydrophobicContact CZ3-CG 4.37Å; W1377-F1435 HydrophobicContact CE3-CB 4.15Å; W1377-F1435 AromaticContact CE3-CD2 3.86Å; W1377-F1435 HydrophobicContact CE3-CD2 3.86Å; W1377-F1435 HydrophobicContact CE3-CE2 4.32Å; W1377-F1435 AromaticContact CE3-CG 3.96Å; W1377-F1435 HydrophobicContact CE3-CG 3.96Å; W1377-F1435 HydrophobicContact CZ3-CB 4.13Å; W1377-F1435 HydrophobicContact CZ3-CG 4.2Å; W1377-F1435 WeakPolarHBondContact O-CE2 3.46Å
1378H62Low66.6Low151 Ų15147.2 Ų47.270%0.69924%0.239SC*.SBendtrans-142.368.3177.9-61.4-51.1000111.6K1375 A1376 I1380K1375-H1378 CarbonylContact O-C 3.55Å; K1375-H1378 WeakPolarHBondContact O-CA 3.17Å; K1375-H1378 PolarHBondContact O-N 3.28Å; A1376-H1378 VanDerWaalsContact C-N 3.32Å; H1378-I1380 PolarHBondContact O-N 2.87Å
1379P56.8Low66.3Low43 Ų4347 Ų4728%0.27924%0.238SC..  trans-62.9133.8-179.926.5-34.2000110.6L1382 D1385P1379-L1382 HydrophobicContact CB-CD1 4.42Å; P1379-L1382 HydrophobicContact CG-CD1 3.68Å; P1379-D1385 HydrophobicContact CB-CB 3.92Å
1380I56.8Low66.1Low81 Ų8148.9 Ų48.942%0.41525%0.247SC..SBendtrans-84.2-34174.5-64.4172.8000109.1I1317 H1378 D1385I1317-I1380 HydrophobicContact CD1-CD1 4.24Å; I1317-I1380 HydrophobicContact CD1-CG2 3.55Å; I1317-I1380 HydrophobicContact CG1-CG2 4.44Å; H1378-I1380 PolarHBondContact O-N 2.87Å; I1380-D1385 PolarHBondContact N-OD2 2.93Å
1381D60.8Low66.3Low83 Ų8349.6 Ų49.644%0.44425%0.249SC..SBendtrans-129.3103.4177.7-133.4-18.6000107.6D1383 D1385D1381-D1383 PolarHBondContact O-N 3.02Å; D1381-D1385 PolarHBondContact N-OD2 3.04Å; D1381-D1385 WeakPolarHBondContact O-CB 3.49Å; D1381-D1385 PolarHBondContact O-N 3.41Å; D1381-D1385 VanDerWaalsContact O-N 3.09Å
1382L59.5Low66.5Low68 Ų6848 Ų4836%0.35624%0.242SC..Hα-helixtrans-53.9-52.9-163.2-148.381.2000111.4P1379 L1386 D1441 V1444P1379-L1382 HydrophobicContact CB-CD1 4.42Å; P1379-L1382 HydrophobicContact CG-CD1 3.68Å; L1382-L1386 HydrophobicContact CG-CD1 4.05Å; L1382-L1386 VanDerWaalsContact O-CB 3.24Å; L1382-L1386 WeakPolarHBondContact O-CB 3.18Å; L1382-L1386 WeakPolarHBondContact O-CD1 3.28Å; L1382-L1386 WeakPolarHBondContact O-CG 3.49Å; L1382-L1386 PolarHBondContact O-N 2.98Å; L1382-D1441 HydrophobicContact CD2-CB 4.37Å; L1382-V1444 HydrophobicContact CD2-CG2 3.87Å
1383D64.6Low66.5Low116 Ų11648.3 Ų48.362%0.6224%0.243SC*.Hα-helixtrans-70-46.5-171.8-65.7-27.5000113.5D1381 E1387D1381-D1383 PolarHBondContact O-N 3.02Å; D1383-E1387 WeakPolarHBondContact O-CG 3.39Å; D1383-E1387 PolarHBondContact O-N 3.04Å
1384Q66.3Low66.7Low71 Ų7149.7 Ų49.733%0.33225%0.254SS..Hα-helixtrans-71.6-43.7-177-72.2179.21500112.3H1327 L1386 E1387 I1388H1327-Q1384 PolarHBondContact CE1-OE1 2.72Å; H1327-Q1384 VanDerWaalsContact CE1-OE1 3.22Å; H1327-Q1384 PolarHBondContact ND1-OE1 3.25Å; H1327-Q1384 VanDerWaalsContact ND1-OE1 3.17Å; Q1384-L1386 VanDerWaalsContact C-N 3.26Å; Q1384-L1386 PolarHBondContact O-N 3.3Å; Q1384-E1387 PolarHBondContact O-N 3.19Å; Q1384-I1388 WeakPolarHBondContact O-CD1 3.4Å; Q1384-I1388 VanDerWaalsContact O-CG1 3.26Å; Q1384-I1388 WeakPolarHBondContact O-CG1 3.46Å; Q1384-I1388 PolarHBondContact O-N 3.4Å; Q1384-I1388 VanDerWaalsContact O-N 3.08Å
1385D66.6Low67.2Low11 Ų1145.5 Ų45.56%0.05923%0.234CC..Hα-helixtrans-65.5-35.6-179.8-71.4-30.1000109.7R1330 P1379 I1380 D1381 V1389R1330-D1385 WeakPolarHBondContact CD-OD1 3.34Å; R1330-D1385 IonicContact CZ-OD1 2.66Å; R1330-D1385 IonicContact NE-OD1 2.69Å; R1330-D1385 PolarHBondContact NE-OD1 3.48Å; R1330-D1385 IonicContact NE-OD2 3.7Å; R1330-D1385 IonicContact NH2-OD1 2.79Å; R1330-D1385 IonicContact NH2-OD2 2.8Å; P1379-D1385 HydrophobicContact CB-CB 3.92Å; I1380-D1385 PolarHBondContact N-OD2 2.93Å; D1381-D1385 PolarHBondContact N-OD2 3.04Å; D1381-D1385 WeakPolarHBondContact O-CB 3.49Å; D1381-D1385 PolarHBondContact O-N 3.41Å; D1381-D1385 VanDerWaalsContact O-N 3.09Å; D1385-V1389 WeakPolarHBondContact O-CG2 3.22Å; D1385-V1389 PolarHBondContact O-N 2.95Å; D1385-V1389 VanDerWaalsContact O-N 3.14Å
1386L67.2Low67.6Low19 Ų1945.8 Ų45.810%0.09924%0.237CC..Hα-helixtrans-63.6-52.2172.8-80.3161.6000112.6L1382 Q1384 I1388 V1389 Q1390 V1444 L1448L1382-L1386 HydrophobicContact CG-CD1 4.05Å; L1382-L1386 VanDerWaalsContact O-CB 3.24Å; L1382-L1386 WeakPolarHBondContact O-CB 3.18Å; L1382-L1386 WeakPolarHBondContact O-CD1 3.28Å; L1382-L1386 WeakPolarHBondContact O-CG 3.49Å; L1382-L1386 PolarHBondContact O-N 2.98Å; Q1384-L1386 VanDerWaalsContact C-N 3.26Å; Q1384-L1386 PolarHBondContact O-N 3.3Å; L1386-I1388 VanDerWaalsContact C-N 3.26Å; L1386-I1388 PolarHBondContact O-N 3.32Å; L1386-V1389 WeakPolarHBondContact O-CA 3.43Å; L1386-V1389 WeakPolarHBondContact O-CB 3.39Å; L1386-V1389 PolarHBondContact O-N 3.47Å; L1386-Q1390 VanDerWaalsContact O-CG 3.3Å; L1386-Q1390 WeakPolarHBondContact O-CG 3.1Å; L1386-Q1390 PolarHBondContact O-N 3.28Å; L1386-V1444 HydrophobicContact CD1-CB 4.01Å; L1386-V1444 HydrophobicContact CD1-CG1 3.3Å; L1386-V1444 HydrophobicContact CD1-CG2 3.55Å; L1386-V1444 HydrophobicContact CD2-CG1 3.7Å; L1386-V1444 HydrophobicContact CG-CG1 4.12Å; L1386-L1448 HydrophobicContact CD2-CD1 3.45Å; L1386-L1448 VanDerWaalsContact CD2-CD1 3.45Å; L1386-L1448 HydrophobicContact CD2-CD2 4.1Å; L1386-L1448 HydrophobicContact CD2-CG 3.62Å
1387E72.6Confident68Low98 Ų9846.3 Ų46.346%0.45824%0.239SC..Hα-helixtrans-58-40.5-179.7-76.1-173.4168.400112F1334 D1383 Q1384 V1389 Q1390 I1391F1334-E1387 HydrophobicContact CE2-CB 3.94Å; D1383-E1387 WeakPolarHBondContact O-CG 3.39Å; D1383-E1387 PolarHBondContact O-N 3.04Å; Q1384-E1387 PolarHBondContact O-N 3.19Å; E1387-V1389 VanDerWaalsContact C-N 3.31Å; E1387-V1389 PolarHBondContact O-N 2.9Å; E1387-Q1390 PolarHBondContact O-N 2.93Å; E1387-I1391 WeakPolarHBondContact O-CG1 3.27Å; E1387-I1391 PolarHBondContact O-N 3.36Å
1388I74.7Confident68.8Low5 Ų547.8 Ų47.83%0.02625%0.245CC..Hα-helixtrans-59.9-44.1174.9-67.3166.4000110.5R1330 F1334 L1337 I1372 Q1384 L1386 I1391 T1392R1330-I1388 HydrophobicContact CB-CD1 3.87Å; R1330-I1388 HydrophobicContact CG-CD1 4.14Å; F1334-I1388 HydrophobicContact CB-CD1 4.38Å; F1334-I1388 HydrophobicContact CB-CG1 3.89Å; F1334-I1388 HydrophobicContact CD2-CG1 3.7Å; F1334-I1388 HydrophobicContact CG-CG1 4.27Å; L1337-I1388 HydrophobicContact CD1-CG2 4.47Å; I1372-I1388 HydrophobicContact CD1-CG2 4.31Å; I1372-I1388 HydrophobicContact CG2-CG2 3.8Å; Q1384-I1388 WeakPolarHBondContact O-CD1 3.4Å; Q1384-I1388 VanDerWaalsContact O-CG1 3.26Å; Q1384-I1388 WeakPolarHBondContact O-CG1 3.46Å; Q1384-I1388 PolarHBondContact O-N 3.4Å; Q1384-I1388 VanDerWaalsContact O-N 3.08Å; L1386-I1388 VanDerWaalsContact C-N 3.26Å; L1386-I1388 PolarHBondContact O-N 3.32Å; I1388-I1391 PolarHBondContact O-N 3.02Å; I1388-T1392 WeakPolarHBondContact O-CB 3.42Å; I1388-T1392 PolarHBondContact O-N 3.43Å; I1388-T1392 PolarHBondContact O-OG1 3.49Å
1389V72.3Confident69.2Low5 Ų540.8 Ų40.83%0.0321%0.213CC..Hα-helixtrans-64.7-42.3178.3169.40000111.2I1372 L1373 A1376 D1385 L1386 E1387 T1392 L1393 L1448I1372-V1389 HydrophobicContact CG2-CG2 3.97Å; L1373-V1389 HydrophobicContact CD2-CG1 4.11Å; A1376-V1389 HydrophobicContact CB-CB 4.4Å; A1376-V1389 HydrophobicContact CB-CG1 4.1Å; A1376-V1389 HydrophobicContact CB-CG2 3.47Å; A1376-V1389 VanDerWaalsContact CB-CG2 3.47Å; D1385-V1389 WeakPolarHBondContact O-CG2 3.22Å; D1385-V1389 PolarHBondContact O-N 2.95Å; D1385-V1389 VanDerWaalsContact O-N 3.14Å; L1386-V1389 WeakPolarHBondContact O-CA 3.43Å; L1386-V1389 WeakPolarHBondContact O-CB 3.39Å; L1386-V1389 PolarHBondContact O-N 3.47Å; E1387-V1389 VanDerWaalsContact C-N 3.31Å; E1387-V1389 PolarHBondContact O-N 2.9Å; V1389-T1392 WeakPolarHBondContact O-CB 3.47Å; V1389-T1392 PolarHBondContact O-N 3.45Å; V1389-L1393 HydrophobicContact CG1-CD1 3.67Å; V1389-L1393 WeakPolarHBondContact O-CB 3.28Å; V1389-L1393 WeakPolarHBondContact O-CD1 3.49Å; V1389-L1393 WeakPolarHBondContact O-CG 3.4Å; V1389-L1393 PolarHBondContact O-N 2.65Å; V1389-L1448 HydrophobicContact CG1-CD2 4.12Å
1390Q71.7Confident69.6Low48 Ų4840.2 Ų40.222%0.22421%0.205CC..Hα-helixtrans-60.8-46.9177.1-65-170.9-24.600111.8L1386 E1387 L1393 S1394 I1451L1386-Q1390 VanDerWaalsContact O-CG 3.3Å; L1386-Q1390 WeakPolarHBondContact O-CG 3.1Å; L1386-Q1390 PolarHBondContact O-N 3.28Å; E1387-Q1390 PolarHBondContact O-N 2.93Å; Q1390-L1393 PolarHBondContact O-N 3.32Å; Q1390-S1394 VanDerWaalsContact O-CB 3.28Å; Q1390-S1394 WeakPolarHBondContact O-CB 3.48Å; Q1390-S1394 PolarHBondContact O-N 2.86Å; Q1390-I1451 HydrophobicContact CB-CD1 3.86Å; Q1390-I1451 HydrophobicContact CG-CD1 3.4Å
1391I78Confident69.9Low22 Ų2238.8 Ų38.811%0.11320%0.2CC..Hα-helixtrans-67.3-39.4177.5-63.3175.4000110.4F1334 L1337 L1338 N1341 E1387 I1388 L1393 S1394 V1395F1334-I1391 HydrophobicContact CD2-CD1 3.71Å; F1334-I1391 HydrophobicContact CE2-CD1 3.13Å; F1334-I1391 HydrophobicContact CE2-CG1 4.35Å; F1334-I1391 HydrophobicContact CZ-CD1 3.6Å; L1337-I1391 HydrophobicContact CB-CG2 3.72Å; L1338-I1391 HydrophobicContact CB-CD1 4.15Å; L1338-I1391 HydrophobicContact CD1-CD1 3.95Å; N1341-I1391 HydrophobicContact CB-CG2 4.49Å; E1387-I1391 WeakPolarHBondContact O-CG1 3.27Å; E1387-I1391 PolarHBondContact O-N 3.36Å; I1388-I1391 PolarHBondContact O-N 3.02Å; I1391-L1393 PolarHBondContact O-N 2.86Å; I1391-S1394 WeakPolarHBondContact O-CB 3.47Å; I1391-S1394 PolarHBondContact O-N 2.9Å; I1391-V1395 HydrophobicContact CG2-CG2 4.11Å; I1391-V1395 VanDerWaalsContact O-CG2 3.32Å; I1391-V1395 WeakPolarHBondContact O-CG2 3.3Å; I1391-V1395 PolarHBondContact O-N 2.74Å
1392T76.8Confident70Confident1 Ų138.1 Ų38.11%0.00619%0.194CC..Hα-helixtrans-57.9-50.8176.5-57.20000110.9L1337 L1369 L1373 I1388 V1389 S1394 V1395 I1396L1337-T1392 VanDerWaalsContact CD1-OG1 3.23Å; L1337-T1392 WeakPolarHBondContact CD1-OG1 3.33Å; L1369-T1392 HydrophobicContact CD2-CG2 3.87Å; L1373-T1392 HydrophobicContact CD1-CG2 4.35Å; L1373-T1392 HydrophobicContact CD2-CG2 4.35Å; L1373-T1392 HydrophobicContact CG-CG2 4.4Å; I1388-T1392 WeakPolarHBondContact O-CB 3.42Å; I1388-T1392 PolarHBondContact O-N 3.43Å; I1388-T1392 PolarHBondContact O-OG1 3.49Å; V1389-T1392 WeakPolarHBondContact O-CB 3.47Å; V1389-T1392 PolarHBondContact O-N 3.45Å; T1392-S1394 VanDerWaalsContact C-N 3.33Å; T1392-S1394 PolarHBondContact O-N 2.93Å; T1392-V1395 PolarHBondContact O-N 2.94Å; T1392-I1396 HydrophobicContact CG2-CD1 3.85Å; T1392-I1396 VanDerWaalsContact O-CG1 3.26Å; T1392-I1396 WeakPolarHBondContact O-CG1 3.47Å; T1392-I1396 PolarHBondContact O-N 3.37Å
1393L73.4Confident69.9Low14 Ų1435.2 Ų35.27%0.07318%0.18CC..Hα-helixtrans-62.5-40.2176.7-77.2155.3000111.7L1373 V1389 Q1390 I1391 I1396 S1397 I1451 T1455L1373-L1393 HydrophobicContact CD2-CD1 4.49Å; L1373-L1393 HydrophobicContact CD2-CG 4.23Å; V1389-L1393 HydrophobicContact CG1-CD1 3.67Å; V1389-L1393 WeakPolarHBondContact O-CB 3.28Å; V1389-L1393 WeakPolarHBondContact O-CD1 3.49Å; V1389-L1393 WeakPolarHBondContact O-CG 3.4Å; V1389-L1393 PolarHBondContact O-N 2.65Å; Q1390-L1393 PolarHBondContact O-N 3.32Å; I1391-L1393 PolarHBondContact O-N 2.86Å; L1393-I1396 PolarHBondContact O-N 2.98Å; L1393-S1397 WeakPolarHBondContact O-CB 3.38Å; L1393-S1397 PolarHBondContact O-N 3.13Å; L1393-I1451 HydrophobicContact CB-CG2 3.66Å; L1393-I1451 HydrophobicContact CD1-CG2 3.73Å; L1393-I1451 HydrophobicContact CG-CG2 4.21Å; L1393-T1455 HydrophobicContact CD2-CG2 4.03Å
1394S74.5Confident69.3Low38 Ų3831 Ų3127%0.26616%0.161SC..Hα-helixtrans-62-48.3176.2-178.10000112N1341 Q1390 I1391 T1392 I1396 S1397 R1398N1341-S1394 PolarHBondContact OD1-OG 3.25Å; Q1390-S1394 VanDerWaalsContact O-CB 3.28Å; Q1390-S1394 WeakPolarHBondContact O-CB 3.48Å; Q1390-S1394 PolarHBondContact O-N 2.86Å; I1391-S1394 WeakPolarHBondContact O-CB 3.47Å; I1391-S1394 PolarHBondContact O-N 2.9Å; T1392-S1394 VanDerWaalsContact C-N 3.33Å; T1392-S1394 PolarHBondContact O-N 2.93Å; S1394-I1396 PolarHBondContact O-N 3.23Å; S1394-S1397 PolarHBondContact O-N 3.46Å; S1394-R1398 WeakPolarHBondContact O-CB 3.13Å; S1394-R1398 WeakPolarHBondContact O-CG 3.38Å; S1394-R1398 PolarHBondContact O-N 3.49Å
1395V77.5Confident68.6Low1 Ų135.1 Ų35.11%0.00619%0.185CC..Hα-helixtrans-64.5-41.5179.1173.80000111.1L1337 C1340 N1341 L1344 L1362 I1391 T1392 S1399L1337-V1395 WeakPolarHBondContact O-CG2 3.45Å; C1340-V1395 HydrophobicContact CB-CG1 4.21Å; C1340-V1395 HydrophobicContact CB-CG2 4.42Å; N1341-V1395 HydrophobicContact CB-CG2 3.82Å; L1344-V1395 HydrophobicContact CD1-CG1 4.2Å; L1362-V1395 HydrophobicContact CD1-CG1 4.35Å; L1362-V1395 HydrophobicContact CD2-CG1 4.13Å; I1391-V1395 HydrophobicContact CG2-CG2 4.11Å; I1391-V1395 VanDerWaalsContact O-CG2 3.32Å; I1391-V1395 WeakPolarHBondContact O-CG2 3.3Å; I1391-V1395 PolarHBondContact O-N 2.74Å; T1392-V1395 PolarHBondContact O-N 2.94Å; V1395-S1399 WeakPolarHBondContact O-CB 3.26Å; V1395-S1399 PolarHBondContact O-N 3.39Å; V1395-S1399 PolarHBondContact O-OG 2.69Å
1396I72.1Confident67.8Low33 Ų3336.9 Ų36.917%0.16920%0.198CC..Hα-helixtrans-64.2-47.2176.3-66.1167.5000110.4L1373 T1392 L1393 S1394 S1399 Y1400 T1421 L1424L1373-I1396 HydrophobicContact CD1-CD1 4.43Å; T1392-I1396 HydrophobicContact CG2-CD1 3.85Å; T1392-I1396 VanDerWaalsContact O-CG1 3.26Å; T1392-I1396 WeakPolarHBondContact O-CG1 3.47Å; T1392-I1396 PolarHBondContact O-N 3.37Å; L1393-I1396 PolarHBondContact O-N 2.98Å; S1394-I1396 PolarHBondContact O-N 3.23Å; I1396-S1399 PolarHBondContact O-OG 3.26Å; I1396-Y1400 WeakPolarHBondContact O-CB 3.1Å; I1396-Y1400 PolarHBondContact O-N 3.48Å; I1396-Y1400 VanDerWaalsContact O-N 3.13Å; I1396-T1421 HydrophobicContact CG2-CG2 4.14Å; I1396-L1424 HydrophobicContact CD1-CD2 3.9Å
1397S67.1Low66.9Low32 Ų3238 Ų3822%0.22420%0.203CC..Hα-helixtrans-64-46.4178.9-179.30000112.5L1393 S1394 Y1400 T1401L1393-S1397 WeakPolarHBondContact O-CB 3.38Å; L1393-S1397 PolarHBondContact O-N 3.13Å; S1394-S1397 PolarHBondContact O-N 3.46Å; S1397-Y1400 PolarHBondContact O-N 3.26Å; S1397-T1401 WeakPolarHBondContact O-CB 3.44Å; S1397-T1401 VanDerWaalsContact O-CG2 3.28Å; S1397-T1401 WeakPolarHBondContact O-CG2 3.35Å; S1397-T1401 PolarHBondContact O-N 3.26Å; S1397-T1401 PolarHBondContact O-OG1 3.1Å
1398R72.5Confident65.7Low63 Ų6339.8 Ų39.824%0.23821%0.212CC..Hα-helixtrans-71.5-36.5-178.4-69.3-17971.8-176.67.2112.8N1341 L1344 D1345 S1394 Y1400 T1401 K1402N1341-R1398 PolarHBondContact O-NH1 3Å; N1341-R1398 PolarHBondContact OD1-NH1 2.97Å; L1344-R1398 HydrophobicContact CD1-CB 3.88Å; D1345-R1398 IonicContact OD1-CZ 2.9Å; D1345-R1398 IonicContact OD1-NH1 3.82Å; D1345-R1398 PolarHBondContact OD1-NH1 3.36Å; D1345-R1398 IonicContact OD1-NH2 2.85Å; D1345-R1398 PolarHBondContact OD1-NH2 3.02Å; S1394-R1398 WeakPolarHBondContact O-CB 3.13Å; S1394-R1398 WeakPolarHBondContact O-CG 3.38Å; S1394-R1398 PolarHBondContact O-N 3.49Å; R1398-Y1400 VanDerWaalsContact C-N 3.32Å; R1398-T1401 VanDerWaalsContact CA-OG1 3.27Å; R1398-T1401 WeakPolarHBondContact CA-OG1 3.25Å; R1398-T1401 PolarHBondContact O-OG1 3.44Å; R1398-T1401 VanDerWaalsContact O-OG1 3.11Å; R1398-K1402 WeakPolarHBondContact O-CB 3.04Å; R1398-K1402 PolarHBondContact O-N 3.21Å; R1398-K1402 VanDerWaalsContact O-N 3.15Å
1399S70.9Confident64.4Low4 Ų444.7 Ų44.73%0.02824%0.244CC..Hα-helixtrans-64.3-40.4174.159.20000111.1M1355 V1395 I1396 G1403M1355-S1399 WeakPolarHBondContact CE-O 3.34Å; V1395-S1399 WeakPolarHBondContact O-CB 3.26Å; V1395-S1399 PolarHBondContact O-N 3.39Å; V1395-S1399 PolarHBondContact O-OG 2.69Å; I1396-S1399 PolarHBondContact O-OG 3.26Å; S1399-G1403 WeakPolarHBondContact O-CA 3.31Å; S1399-G1403 PolarHBondContact O-N 3.42Å
1400Y65.4Low63.2Low32 Ų3253 Ų5313%0.12528%0.283CS..Hα-helixtrans-75.6-42.4178.8-157-83.4000113.1I1396 S1397 R1398 K1402 G1403 A1404 F1412 T1421 F1458 Y1462I1396-Y1400 WeakPolarHBondContact O-CB 3.1Å; I1396-Y1400 PolarHBondContact O-N 3.48Å; I1396-Y1400 VanDerWaalsContact O-N 3.13Å; S1397-Y1400 PolarHBondContact O-N 3.26Å; R1398-Y1400 VanDerWaalsContact C-N 3.32Å; Y1400-K1402 VanDerWaalsContact C-N 3.29Å; Y1400-K1402 PolarHBondContact O-N 2.75Å; Y1400-G1403 PolarHBondContact O-N 2.99Å; Y1400-G1403 VanDerWaalsContact O-N 3.14Å; Y1400-A1404 HydrophobicContact CD1-CB 3.86Å; Y1400-A1404 HydrophobicContact CE1-CB 3.84Å; Y1400-A1404 WeakPolarHBondContact O-CB 3.4Å; Y1400-A1404 PolarHBondContact O-N 3.21Å; Y1400-F1412 HydrophobicContact CE2-CZ 4.5Å; Y1400-F1412 VanDerWaalsContact OH-CZ 3.28Å; Y1400-F1412 WeakPolarHBondContact OH-CZ 3.5Å; Y1400-T1421 HydrophobicContact CD2-CG2 4.4Å; Y1400-F1458 AromaticContact CD1-CE1 3.46Å; Y1400-F1458 HydrophobicContact CD1-CE1 3.46Å; Y1400-F1458 VanDerWaalsContact CD1-CE1 3.46Å; Y1400-F1458 AromaticContact CD1-CZ 3.86Å; Y1400-F1458 HydrophobicContact CD1-CZ 3.86Å; Y1400-F1458 HydrophobicContact CE1-CE1 4.02Å; Y1400-F1458 HydrophobicContact CE1-CZ 4.4Å; Y1400-F1458 HydrophobicContact CG-CE1 4.36Å; Y1400-Y1462 HydrophobicContact CE1-CD1 4.08Å; Y1400-Y1462 HydrophobicContact CE1-CD2 4.16Å; Y1400-Y1462 HydrophobicContact CE1-CE1 4.02Å; Y1400-Y1462 HydrophobicContact CE1-CE2 4.09Å; Y1400-Y1462 HydrophobicContact CE1-CG 4.16Å; Y1400-Y1462 AromaticContact CZ-CE1 3.86Å; Y1400-Y1462 WeakPolarHBondContact OH-CD1 3.24Å; Y1400-Y1462 WeakPolarHBondContact OH-CE1 3.29Å
1401T64.1Low62Low50 Ų5059.2 Ų59.231%0.30730%0.304SS..Hα-helixtrans-60-39.4176.347.30000111.9S1397 R1398 L1405 F1458S1397-T1401 WeakPolarHBondContact O-CB 3.44Å; S1397-T1401 VanDerWaalsContact O-CG2 3.28Å; S1397-T1401 WeakPolarHBondContact O-CG2 3.35Å; S1397-T1401 PolarHBondContact O-N 3.26Å; S1397-T1401 PolarHBondContact O-OG1 3.1Å; R1398-T1401 VanDerWaalsContact CA-OG1 3.27Å; R1398-T1401 WeakPolarHBondContact CA-OG1 3.25Å; R1398-T1401 PolarHBondContact O-OG1 3.44Å; R1398-T1401 VanDerWaalsContact O-OG1 3.11Å; T1401-L1405 WeakPolarHBondContact O-CD1 3.44Å; T1401-F1458 HydrophobicContact CG2-CD2 4.07Å; T1401-F1458 HydrophobicContact CG2-CE1 4.25Å; T1401-F1458 HydrophobicContact CG2-CE2 3.58Å; T1401-F1458 HydrophobicContact CG2-CZ 3.68Å
1402K62.5Low60.6Low70 Ų7059.1 Ų59.130%0.30430%0.303SS..Hα-helixtrans-76-31.6173.6-71.1-169.8169.5-164.10113.1L1344 L1347 M1355 R1398 Y1400L1344-K1402 HydrophobicContact CD2-CD 4.43Å; L1344-K1402 PolarHBondContact O-NZ 3.02Å; L1347-K1402 PolarHBondContact O-NZ 2.8Å; M1355-K1402 HydrophobicContact CE-CB 3.75Å; M1355-K1402 HydrophobicContact SD-CB 4.44Å; R1398-K1402 WeakPolarHBondContact O-CB 3.04Å; R1398-K1402 PolarHBondContact O-N 3.21Å; R1398-K1402 VanDerWaalsContact O-N 3.15Å; Y1400-K1402 VanDerWaalsContact C-N 3.29Å; Y1400-K1402 PolarHBondContact O-N 2.75Å
1403G57Low59.1Low7 Ų766.4 Ų66.47%0.07234%0.336CS..Hα-helixtrans-78.3-39.4179.600000114.8S1399 Y1400 L1405 S1406S1399-G1403 WeakPolarHBondContact O-CA 3.31Å; S1399-G1403 PolarHBondContact O-N 3.42Å; Y1400-G1403 PolarHBondContact O-N 2.99Å; Y1400-G1403 VanDerWaalsContact O-N 3.14Å; G1403-L1405 PolarHBondContact O-N 3.5Å; G1403-S1406 WeakPolarHBondContact O-CB 3.38Å; G1403-S1406 PolarHBondContact O-N 3.38Å; G1403-S1406 PolarHBondContact O-OG 2.97Å
1404A52.3Low58Low28 Ų2870.6 Ų70.623%0.23137%0.367CS..Hα-helixtrans-65.8-21.9-179.100000112.9Y1400 S1406 Y1462Y1400-A1404 HydrophobicContact CD1-CB 3.86Å; Y1400-A1404 HydrophobicContact CE1-CB 3.84Å; Y1400-A1404 WeakPolarHBondContact O-CB 3.4Å; Y1400-A1404 PolarHBondContact O-N 3.21Å; A1404-S1406 PolarHBondContact O-N 2.66Å; A1404-Y1462 HydrophobicContact CB-CE2 4.16Å
1405L51.1Low57Low157 Ų15771.6 Ų71.682%0.82237%0.369SS*.THydrogen-bonded Turntrans-68.9-7.6169.4-75.8159000113.2T1401 G1403T1401-L1405 WeakPolarHBondContact O-CD1 3.44Å; G1403-L1405 PolarHBondContact O-N 3.5Å
1406S49.6Very low55.8Low48 Ų4877.3 Ų77.334%0.33640%0.399SS..THydrogen-bonded Turntrans-114.8-5.7-171.882.50000116.2G1403 A1404G1403-S1406 WeakPolarHBondContact O-CB 3.38Å; G1403-S1406 PolarHBondContact O-N 3.38Å; G1403-S1406 PolarHBondContact O-OG 2.97Å; A1404-S1406 PolarHBondContact O-N 2.66Å
1407I48.5Very low54.8Low41 Ų4176.9 Ų76.921%0.2140%0.399CS..  trans-105.1113.2-170-49.7169.3000110.2F1412I1407-F1412 HydrophobicContact CB-CD2 3.8Å; I1407-F1412 HydrophobicContact CB-CE2 3.72Å; I1407-F1412 HydrophobicContact CD1-CD2 4.04Å; I1407-F1412 HydrophobicContact CD1-CE2 3.32Å; I1407-F1412 HydrophobicContact CD1-CZ 3.89Å; I1407-F1412 HydrophobicContact CG1-CD2 4.5Å; I1407-F1412 HydrophobicContact CG1-CE2 4.08Å; I1407-F1412 HydrophobicContact CG2-CD2 3.26Å; I1407-F1412 HydrophobicContact CG2-CE2 3.7Å; I1407-F1412 HydrophobicContact CG2-CG 4.24Å
1408E47.1Very low54.1Low137 Ų13775.5 Ų75.564%0.6439%0.39SS*.  trans-60.1130.1163.6-72.3177.3162.500108.8E1410 R1411E1408-E1410 PolarHBondContact O-N 2.66Å; E1408-R1411 PolarHBondContact O-N 2.92Å; E1408-R1411 VanDerWaalsContact O-N 3.11Å
1409P48.5Very low53.4Low107 Ų10778.5 Ų78.570%0.69541%0.406SS*.G310 helixtrans-56.7-23.5-171.519.2-31000113.8R1411P1409-R1411 PolarHBondContact O-N 2.65Å
1410E46.7Very low52.6Low181 Ų18179.6 Ų79.685%0.84641%0.412SS*.G310 helixtrans-76.3-15.6-177.6-62.7-176.2179.100114.8E1408E1408-E1410 PolarHBondContact O-N 2.66Å
1411R46.1Very low52.2Low178 Ų17879.6 Ų79.667%0.67242%0.416SS*.G310 helixtrans-99.9-8.6178.3-78.6-175.2178.3179.52114.8E1408 P1409 H1413 S1414E1408-R1411 PolarHBondContact O-N 2.92Å; E1408-R1411 VanDerWaalsContact O-N 3.11Å; P1409-R1411 PolarHBondContact O-N 2.65Å; R1411-H1413 PolarHBondContact O-N 2.8Å; R1411-H1413 VanDerWaalsContact O-N 3.15Å; R1411-S1414 PolarHBondContact O-N 3.24Å; R1411-S1414 VanDerWaalsContact O-N 3.1Å; R1411-S1414 PolarHBondContact O-OG 2.9Å
1412F48.4Very low51.9Low20 Ų2080.1 Ų80.19%0.08841%0.412CS..G310 helixtrans-59.2-30.8-172.7-135.7-86.3000113.6Y1400 I1407 S1414 D1415 A1418 Y1462Y1400-F1412 HydrophobicContact CE2-CZ 4.5Å; Y1400-F1412 VanDerWaalsContact OH-CZ 3.28Å; Y1400-F1412 WeakPolarHBondContact OH-CZ 3.5Å; I1407-F1412 HydrophobicContact CB-CD2 3.8Å; I1407-F1412 HydrophobicContact CB-CE2 3.72Å; I1407-F1412 HydrophobicContact CD1-CD2 4.04Å; I1407-F1412 HydrophobicContact CD1-CE2 3.32Å; I1407-F1412 HydrophobicContact CD1-CZ 3.89Å; I1407-F1412 HydrophobicContact CG1-CD2 4.5Å; I1407-F1412 HydrophobicContact CG1-CE2 4.08Å; I1407-F1412 HydrophobicContact CG2-CD2 3.26Å; I1407-F1412 HydrophobicContact CG2-CE2 3.7Å; I1407-F1412 HydrophobicContact CG2-CG 4.24Å; F1412-S1414 PolarHBondContact O-N 3.47Å; F1412-D1415 PolarHBondContact O-N 2.95Å; F1412-A1418 HydrophobicContact CD1-CB 3.75Å; F1412-A1418 HydrophobicContact CE1-CB 3.31Å; F1412-A1418 HydrophobicContact CZ-CB 4.2Å; F1412-Y1462 HydrophobicContact CE1-CE1 4.41Å; F1412-Y1462 WeakPolarHBondContact CE2-OH 3.47Å; F1412-Y1462 HydrophobicContact CZ-CE1 4.15Å; F1412-Y1462 AromaticContact CZ-CZ 3.93Å; F1412-Y1462 WeakPolarHBondContact CZ-OH 3.35Å
1413H46.7Very low51.8Low154 Ų15481.4 Ų81.471%0.71342%0.423SS*.G310 helixtrans-69.4-14.1-179.6-71.2-56.3000114.8R1411R1411-H1413 PolarHBondContact O-N 2.8Å; R1411-H1413 VanDerWaalsContact O-N 3.15Å
1414S49.1Very low52Low101 Ų10181.7 Ų81.771%0.70642%0.422SS*.G310 helixtrans-98.8-8.3176.165.40000113.6R1411 F1412 L1416R1411-S1414 PolarHBondContact O-N 3.24Å; R1411-S1414 VanDerWaalsContact O-N 3.1Å; R1411-S1414 PolarHBondContact O-OG 2.9Å; F1412-S1414 PolarHBondContact O-N 3.47Å; S1414-L1416 PolarHBondContact O-N 3.36Å
1415D53.5Low52.4Low60 Ų6082.1 Ų82.132%0.32142%0.421SS..  trans-84.4105.7-170-118.8-31.3000111.1F1412 S1417 A1418F1412-D1415 PolarHBondContact O-N 2.95Å; D1415-S1417 PolarHBondContact O-N 3.13Å; D1415-S1417 VanDerWaalsContact O-N 3.11Å; D1415-A1418 PolarHBondContact O-N 3.4Å; D1415-A1418 VanDerWaalsContact O-N 3.13Å
1416L52.2Low52.9Low121 Ų12179.5 Ų79.563%0.63440%0.403SS*.Hα-helixtrans-54.6-29.5177-151.786.7000111.7S1414 H1419 V1420S1414-L1416 PolarHBondContact O-N 3.36Å; L1416-H1419 PolarHBondContact O-N 2.91Å; L1416-V1420 WeakPolarHBondContact O-CG2 3.29Å; L1416-V1420 PolarHBondContact O-N 3.5Å
1417S51.6Low53.4Low23 Ų2381.6 Ų81.616%0.16141%0.408CS..Hα-helixtrans-62.7-42.817960.40000112.4D1415 T1421D1415-S1417 PolarHBondContact O-N 3.13Å; D1415-S1417 VanDerWaalsContact O-N 3.11Å; S1417-T1421 PolarHBondContact O-N 2.92Å; S1417-T1421 VanDerWaalsContact O-N 3.12Å; S1417-T1421 PolarHBondContact O-OG1 2.93Å
1418A53Low53.9Low4 Ų480.8 Ų80.83%0.03340%0.403CS..Hα-helixtrans-64.9-48.2177.200000110.7F1412 D1415 V1420 T1421 Y1422F1412-A1418 HydrophobicContact CD1-CB 3.75Å; F1412-A1418 HydrophobicContact CE1-CB 3.31Å; F1412-A1418 HydrophobicContact CZ-CB 4.2Å; D1415-A1418 PolarHBondContact O-N 3.4Å; D1415-A1418 VanDerWaalsContact O-N 3.13Å; A1418-V1420 PolarHBondContact O-N 2.92Å; A1418-T1421 PolarHBondContact O-N 3.36Å; A1418-Y1422 WeakPolarHBondContact O-CD2 3.45Å; A1418-Y1422 PolarHBondContact O-N 3.18Å
1419H56.8Low54.3Low125 Ų12576 Ų7658%0.57938%0.381SS*.Hα-helixtrans-57.6-47.4179.2-110.266.7000112.3L1416 T1421 Y1422 D1423L1416-H1419 PolarHBondContact O-N 2.91Å; H1419-T1421 VanDerWaalsContact C-N 3.3Å; H1419-T1421 PolarHBondContact O-N 3.37Å; H1419-Y1422 PolarHBondContact O-N 3.38Å; H1419-D1423 WeakPolarHBondContact O-CB 3.37Å; H1419-D1423 PolarHBondContact O-N 3.14Å
1420V55.4Low54.7Low27 Ų2774.4 Ų74.416%0.16437%0.371CS..Hα-helixtrans-64.7-36.9179.2174.90000111.6A1363 H1366 L1416 A1418 D1423 L1424A1363-V1420 HydrophobicContact CB-CG2 4.09Å; H1366-V1420 HydrophobicContact CB-CG1 3.64Å; L1416-V1420 WeakPolarHBondContact O-CG2 3.29Å; L1416-V1420 PolarHBondContact O-N 3.5Å; A1418-V1420 PolarHBondContact O-N 2.92Å; V1420-D1423 PolarHBondContact O-N 3.41Å; V1420-L1424 HydrophobicContact CG1-CD1 4.11Å; V1420-L1424 WeakPolarHBondContact O-CB 3.33Å; V1420-L1424 PolarHBondContact O-N 3.41Å
1421T55.5Low55Low32 Ų3267.4 Ų67.420%0.19634%0.343CS..Hα-helixtrans-67.8-41.5177.5-44.20000110.9I1396 Y1400 S1417 A1418 H1419 L1424 L1425I1396-T1421 HydrophobicContact CG2-CG2 4.14Å; Y1400-T1421 HydrophobicContact CD2-CG2 4.4Å; S1417-T1421 PolarHBondContact O-N 2.92Å; S1417-T1421 VanDerWaalsContact O-N 3.12Å; S1417-T1421 PolarHBondContact O-OG1 2.93Å; A1418-T1421 PolarHBondContact O-N 3.36Å; H1419-T1421 VanDerWaalsContact C-N 3.3Å; H1419-T1421 PolarHBondContact O-N 3.37Å; T1421-L1424 PolarHBondContact O-N 2.91Å; T1421-L1425 HydrophobicContact CG2-CD1 4.08Å; T1421-L1425 WeakPolarHBondContact O-CB 3.08Å; T1421-L1425 WeakPolarHBondContact O-CD1 3.46Å; T1421-L1425 WeakPolarHBondContact O-CG 3.44Å; T1421-L1425 PolarHBondContact O-N 3.42Å
1422Y59Low55.3Low61 Ų6161.1 Ų61.124%0.23932%0.319CS..Hα-helixtrans-62.6-46173.3-81.9-67.7000111.7A1418 H1419 L1424 L1425 F1426 I1463 L1466A1418-Y1422 WeakPolarHBondContact O-CD2 3.45Å; A1418-Y1422 PolarHBondContact O-N 3.18Å; H1419-Y1422 PolarHBondContact O-N 3.38Å; Y1422-L1424 PolarHBondContact O-N 2.88Å; Y1422-L1425 PolarHBondContact O-N 3.41Å; Y1422-F1426 HydrophobicContact CD1-CE2 4.09Å; Y1422-F1426 WeakPolarHBondContact O-CB 3.39Å; Y1422-F1426 WeakPolarHBondContact O-CD2 3.35Å; Y1422-F1426 PolarHBondContact O-N 3.06Å; Y1422-I1463 HydrophobicContact CE1-CG1 4.32Å; Y1422-L1466 VanDerWaalsContact OH-CD1 3.26Å; Y1422-L1466 WeakPolarHBondContact OH-CD1 3.33Å
1423D60.6Low55.5Low97 Ų9764.4 Ų64.452%0.51934%0.337SS..Hα-helixtrans-62.7-43.1178.5-74.5-20000111.4H1419 V1420 F1426 E1427H1419-D1423 WeakPolarHBondContact O-CB 3.37Å; H1419-D1423 PolarHBondContact O-N 3.14Å; V1420-D1423 PolarHBondContact O-N 3.41Å; D1423-F1426 PolarHBondContact O-N 2.8Å; D1423-E1427 PolarHBondContact O-N 2.95Å
1424L61.4Low55.8Low13 Ų1362.7 Ų62.77%0.06834%0.338CS..Hα-helixtrans-61.2-46.6174.1-115.993.7000111.3H1366 L1369 A1370 L1373 I1396 V1420 T1421 Y1422 F1426 E1427 I1428H1366-L1424 HydrophobicContact CB-CD1 3.98Å; L1369-L1424 HydrophobicContact CB-CD2 4.01Å; A1370-L1424 HydrophobicContact CB-CD1 4.43Å; L1373-L1424 HydrophobicContact CD1-CD2 3.51Å; I1396-L1424 HydrophobicContact CD1-CD2 3.9Å; V1420-L1424 HydrophobicContact CG1-CD1 4.11Å; V1420-L1424 WeakPolarHBondContact O-CB 3.33Å; V1420-L1424 PolarHBondContact O-N 3.41Å; T1421-L1424 PolarHBondContact O-N 2.91Å; Y1422-L1424 PolarHBondContact O-N 2.88Å; L1424-F1426 PolarHBondContact O-N 3.29Å; L1424-E1427 PolarHBondContact O-N 2.94Å; L1424-I1428 WeakPolarHBondContact O-CD1 3.46Å; L1424-I1428 WeakPolarHBondContact O-CG1 3.28Å; L1424-I1428 PolarHBondContact O-N 3.47Å; L1424-I1428 VanDerWaalsContact O-N 3.13Å
1425L59.5Low55.8Low37 Ų3760.9 Ų60.919%0.19432%0.317CS..Hα-helixtrans-63-41.1178.3-81160000111.9T1421 Y1422 E1427 I1428 I1429 C1459T1421-L1425 HydrophobicContact CG2-CD1 4.08Å; T1421-L1425 WeakPolarHBondContact O-CB 3.08Å; T1421-L1425 WeakPolarHBondContact O-CD1 3.46Å; T1421-L1425 WeakPolarHBondContact O-CG 3.44Å; T1421-L1425 PolarHBondContact O-N 3.42Å; Y1422-L1425 PolarHBondContact O-N 3.41Å; L1425-E1427 VanDerWaalsContact C-N 3.34Å; L1425-E1427 PolarHBondContact O-N 3.1Å; L1425-I1428 PolarHBondContact O-N 3.48Å; L1425-I1429 WeakPolarHBondContact O-CD1 3.2Å; L1425-I1429 VanDerWaalsContact O-CG1 3.23Å; L1425-I1429 WeakPolarHBondContact O-CG1 3.37Å; L1425-I1429 PolarHBondContact O-N 3.03Å; L1425-I1429 VanDerWaalsContact O-N 3.12Å; L1425-C1459 WeakPolarHBondContact CD1-SG 3.19Å
1426F61.7Low55.6Low103 Ų10363.1 Ų63.145%0.45234%0.335SS..Hα-helixtrans-72.2-22.6178-85.1-67.9000113.5Y1422 D1423 L1424 P1430Y1422-F1426 HydrophobicContact CD1-CE2 4.09Å; Y1422-F1426 WeakPolarHBondContact O-CB 3.39Å; Y1422-F1426 WeakPolarHBondContact O-CD2 3.35Å; Y1422-F1426 PolarHBondContact O-N 3.06Å; D1423-F1426 PolarHBondContact O-N 2.8Å; L1424-F1426 PolarHBondContact O-N 3.29Å; F1426-P1430 WeakPolarHBondContact O-CD 3.41Å; F1426-P1430 WeakPolarHBondContact O-CG 3.46Å
1427E59.3Low55.4Low92 Ų9261.8 Ų61.843%0.4334%0.341SS..Hα-helixtrans-77.2-31.6168.3-80.3-165.9166.200113A1370 Q1374 D1423 L1424 L1425 S1431A1370-E1427 WeakPolarHBondContact CB-OE2 3.19Å; Q1374-E1427 PolarHBondContact NE2-OE2 3.31Å; D1423-E1427 PolarHBondContact O-N 2.95Å; L1424-E1427 PolarHBondContact O-N 2.94Å; L1425-E1427 VanDerWaalsContact C-N 3.34Å; L1425-E1427 PolarHBondContact O-N 3.1Å; E1427-S1431 PolarHBondContact O-OG 3.46Å
1428I59Low55.3Low24 Ų2468.3 Ų68.312%0.12337%0.374CS..Hα-helixtrans-72.5-40.5-179.6-66.3159.8000111L1373 W1377 L1424 L1425 S1431 Y1432 L1452L1373-I1428 HydrophobicContact CB-CD1 4.42Å; L1373-I1428 HydrophobicContact CB-CG1 4.2Å; L1373-I1428 HydrophobicContact CD1-CD1 3.64Å; L1373-I1428 HydrophobicContact CD1-CG1 4.29Å; L1373-I1428 HydrophobicContact CG-CD1 4.49Å; W1377-I1428 HydrophobicContact CZ2-CG2 4.01Å; L1424-I1428 WeakPolarHBondContact O-CD1 3.46Å; L1424-I1428 WeakPolarHBondContact O-CG1 3.28Å; L1424-I1428 PolarHBondContact O-N 3.47Å; L1424-I1428 VanDerWaalsContact O-N 3.13Å; L1425-I1428 PolarHBondContact O-N 3.48Å; I1428-S1431 PolarHBondContact O-N 3.05Å; I1428-Y1432 PolarHBondContact O-N 2.78Å; I1428-L1452 HydrophobicContact CG2-CD2 4.48Å
1429I57.2Low55.3Low35 Ų3570.1 Ų70.118%0.17939%0.385CS..Hα-helixtrans-61.6-47.9-172-73.4164.2000114.1L1425 S1431 Y1432 L1484L1425-I1429 WeakPolarHBondContact O-CD1 3.2Å; L1425-I1429 VanDerWaalsContact O-CG1 3.23Å; L1425-I1429 WeakPolarHBondContact O-CG1 3.37Å; L1425-I1429 PolarHBondContact O-N 3.03Å; L1425-I1429 VanDerWaalsContact O-N 3.12Å; I1429-S1431 VanDerWaalsContact C-N 3.26Å; I1429-S1431 PolarHBondContact O-N 3.28Å; I1429-Y1432 PolarHBondContact O-N 2.9Å; I1429-L1484 HydrophobicContact CG2-CD1 4.02Å; I1429-L1484 HydrophobicContact CG2-CD2 3.44Å; I1429-L1484 VanDerWaalsContact CG2-CD2 3.44Å; I1429-L1484 HydrophobicContact CG2-CG 4.16Å
1430P55.6Low55Low74 Ų7469.3 Ų69.348%0.48140%0.4SS..Hα-helixtrans-63.8-32.2179.8-22.332.6000113F1426F1426-P1430 WeakPolarHBondContact O-CD 3.41Å; F1426-P1430 WeakPolarHBondContact O-CG 3.46Å
1431S53.7Low55.1Low35 Ų3571.5 Ų71.525%0.24541%0.411CS..Hα-helixtrans-71.3-35-179.6-51.20000111.4E1427 I1428 I1429 L1433 T1434E1427-S1431 PolarHBondContact O-OG 3.46Å; I1428-S1431 PolarHBondContact O-N 3.05Å; I1429-S1431 VanDerWaalsContact C-N 3.26Å; I1429-S1431 PolarHBondContact O-N 3.28Å; S1431-L1433 PolarHBondContact O-N 3.21Å; S1431-T1434 PolarHBondContact O-N 2.91Å; S1431-T1434 PolarHBondContact O-OG1 3.39Å
1432Y52.4Low55.2Low46 Ų4675.9 Ų75.918%0.1843%0.429CS..Hα-helixtrans-63-35.8176.5-170.2-108.9000113.7W1377 I1428 I1429 T1434 F1435 L1452 L1491W1377-Y1432 VanDerWaalsContact CH2-CA 3.4Å; W1377-Y1432 AromaticContact CH2-CD2 3.6Å; W1377-Y1432 HydrophobicContact CH2-CD2 3.6Å; W1377-Y1432 HydrophobicContact CH2-CG 4.04Å; W1377-Y1432 AromaticContact CZ3-CD2 3.74Å; W1377-Y1432 HydrophobicContact CZ3-CD2 3.74Å; W1377-Y1432 HydrophobicContact CZ3-CG 4.37Å; I1428-Y1432 PolarHBondContact O-N 2.78Å; I1429-Y1432 PolarHBondContact O-N 2.9Å; Y1432-T1434 PolarHBondContact O-N 3.42Å; Y1432-T1434 VanDerWaalsContact O-N 3.09Å; Y1432-F1435 PolarHBondContact O-N 3.46Å; Y1432-L1452 HydrophobicContact CD2-CD1 4.16Å; Y1432-L1452 HydrophobicContact CE2-CD1 3.88Å; Y1432-L1491 HydrophobicContact CD1-CD1 4.39Å; Y1432-L1491 HydrophobicContact CE1-CD1 3.62Å; Y1432-L1491 HydrophobicContact CE1-CD2 4.37Å
1433L51.5Low55Low88 Ų8876.6 Ų76.646%0.46144%0.437SS..THydrogen-bonded Turntrans-64.3-14.7179.6-70.7167000113.3S1431 E1487S1431-L1433 PolarHBondContact O-N 3.21Å; L1433-E1487 HydrophobicContact CD2-CB 4.32Å; L1433-E1487 HydrophobicContact CD2-CG 3.98Å
1434T53.9Low54.8Low119 Ų11972.7 Ų72.773%0.7342%0.417SS*.THydrogen-bonded Turntrans-95.7-1179.563.10000114.4S1431 Y1432S1431-T1434 PolarHBondContact O-N 2.91Å; S1431-T1434 PolarHBondContact O-OG1 3.39Å; Y1432-T1434 PolarHBondContact O-N 3.42Å; Y1432-T1434 VanDerWaalsContact O-N 3.09Å
1435F49.6Very low54.5Low62 Ų6275.6 Ų75.627%0.27243%0.43SS..  trans-110.879-164.1-160.1-98.9000113.9W1377 Y1432 V1439W1377-F1435 HydrophobicContact CE3-CB 4.15Å; W1377-F1435 AromaticContact CE3-CD2 3.86Å; W1377-F1435 HydrophobicContact CE3-CD2 3.86Å; W1377-F1435 HydrophobicContact CE3-CE2 4.32Å; W1377-F1435 AromaticContact CE3-CG 3.96Å; W1377-F1435 HydrophobicContact CE3-CG 3.96Å; W1377-F1435 HydrophobicContact CZ3-CB 4.13Å; W1377-F1435 HydrophobicContact CZ3-CG 4.2Å; W1377-F1435 WeakPolarHBondContact O-CE2 3.46Å; Y1432-F1435 PolarHBondContact O-N 3.46Å; F1435-V1439 HydrophobicContact CE1-CG2 3.88Å; F1435-V1439 HydrophobicContact CE2-CG2 4.27Å; F1435-V1439 HydrophobicContact CZ-CG2 3.38Å
1436P48Very low54.5Low108 Ų10878.8 Ų78.870%0.70144%0.442SS*.SBendtrans-149.293.2141.132.9-12.5000112.5
1437A49.3Very low54.3Low92 Ų9281.1 Ų81.176%0.7645%0.448SS*.SBendtrans-158.2-27.5164.200000115.9
1438N49.3Very low54.2Low160 Ų16078.1 Ų78.186%0.85644%0.435SS*.SBendtrans-121.311.2-161.3-79.1-9.5000117.6
1439V53.6Low54.2Low43 Ų4379.2 Ų79.226%0.26144%0.44SS..  trans-99.8115173.7-176.10000109.6F1435 V1444 Q1445F1435-V1439 HydrophobicContact CE1-CG2 3.88Å; F1435-V1439 HydrophobicContact CE2-CG2 4.27Å; F1435-V1439 HydrophobicContact CZ-CG2 3.38Å; V1439-V1444 HydrophobicContact CG1-CG1 4.43Å; V1439-Q1445 HydrophobicContact CB-CG 4.25Å; V1439-Q1445 HydrophobicContact CG1-CG 4.29Å
1440A50.3Low54.4Low107 Ų10779.8 Ų79.888%0.88445%0.446SS*.  trans-76.8-23.1-178.700000113.5
1441D56.7Low54.5Low73 Ų7377.9 Ų77.939%0.3943%0.431SS..  trans-94.5111-176.2-160.2-17.5000112.1L1382 D1443 V1444 Q1445L1382-D1441 HydrophobicContact CD2-CB 4.37Å; D1441-D1443 VanDerWaalsContact C-N 3.31Å; D1441-D1443 PolarHBondContact O-N 3.06Å; D1441-D1443 PolarHBondContact OD1-N 3.5Å; D1441-V1444 HydrophobicContact CB-CB 4.28Å; D1441-V1444 HydrophobicContact CB-CG2 4.1Å; D1441-Q1445 PolarHBondContact O-N 3.23Å
1442Q57Low54.7Low125 Ų12577.2 Ų77.258%0.58443%0.425SS*.Hα-helixtrans-67.8-29.4-177.3-69.5-176.5-11.700112.7F1446Q1442-F1446 PolarHBondContact O-N 3.05Å
1443D56.2Low55.2Low76 Ų7678.9 Ų78.941%0.40643%0.434SS..Hα-helixtrans-74.3-35.3-177.1-76.3-5.4000111.5D1441 F1446 R1447 R1502D1441-D1443 VanDerWaalsContact C-N 3.31Å; D1441-D1443 PolarHBondContact O-N 3.06Å; D1441-D1443 PolarHBondContact OD1-N 3.5Å; D1443-F1446 PolarHBondContact O-N 3.15Å; D1443-R1447 WeakPolarHBondContact O-CG 3.33Å; D1443-R1447 PolarHBondContact O-N 3.46Å; D1443-R1502 IonicContact OD1-CZ 3.3Å; D1443-R1502 VanDerWaalsContact OD1-CZ 3.3Å; D1443-R1502 IonicContact OD1-NH1 2.76Å; D1443-R1502 PolarHBondContact OD1-NH1 2.89Å; D1443-R1502 IonicContact OD1-NH2 2.86Å; D1443-R1502 PolarHBondContact OD1-NH2 3.4Å
1444V55.2Low55.6Low15 Ų1580 Ų809%0.09144%0.437CS..Hα-helixtrans-63.8-48172.9166.50000111.3L1382 L1386 V1439 D1441 F1446 R1447 L1448L1382-V1444 HydrophobicContact CD2-CG2 3.87Å; L1386-V1444 HydrophobicContact CD1-CB 4.01Å; L1386-V1444 HydrophobicContact CD1-CG1 3.3Å; L1386-V1444 HydrophobicContact CD1-CG2 3.55Å; L1386-V1444 HydrophobicContact CD2-CG1 3.7Å; L1386-V1444 HydrophobicContact CG-CG1 4.12Å; V1439-V1444 HydrophobicContact CG1-CG1 4.43Å; D1441-V1444 HydrophobicContact CB-CB 4.28Å; D1441-V1444 HydrophobicContact CB-CG2 4.1Å; V1444-F1446 VanDerWaalsContact C-N 3.25Å; V1444-F1446 PolarHBondContact O-N 3.33Å; V1444-R1447 PolarHBondContact O-N 2.88Å; V1444-L1448 HydrophobicContact CG1-CD1 4.15Å; V1444-L1448 PolarHBondContact O-N 3.08Å
1445Q56.6Low55.7Low74 Ų7475.2 Ų75.235%0.34641%0.408SS..Hα-helixtrans-55.4-45.3174.5-99.8-173.3-10.300110.7V1439 D1441 L1449V1439-Q1445 HydrophobicContact CB-CG 4.25Å; V1439-Q1445 HydrophobicContact CG1-CG 4.29Å; D1441-Q1445 PolarHBondContact O-N 3.23Å; Q1445-L1449 VanDerWaalsContact O-CB 3.32Å; Q1445-L1449 WeakPolarHBondContact O-CB 3.42Å; Q1445-L1449 PolarHBondContact O-N 3.37Å
1446F58Low56.1Low104 Ų10473.6 Ų73.646%0.45640%0.402SS..Hα-helixtrans-63-50.3-179.8-168.6-94000112.1Q1442 D1443 V1444 L1448 L1449 T1450Q1442-F1446 PolarHBondContact O-N 3.05Å; D1443-F1446 PolarHBondContact O-N 3.15Å; V1444-F1446 VanDerWaalsContact C-N 3.25Å; V1444-F1446 PolarHBondContact O-N 3.33Å; F1446-L1448 PolarHBondContact O-N 2.98Å; F1446-L1449 WeakPolarHBondContact O-CB 3.11Å; F1446-L1449 PolarHBondContact O-N 2.96Å; F1446-L1449 VanDerWaalsContact O-N 3.08Å; F1446-T1450 PolarHBondContact O-N 3.36Å; F1446-T1450 PolarHBondContact O-OG1 3.33Å
1447R58.4Low56.6Low152 Ų15270.6 Ų70.657%0.57439%0.386SS*.Hα-helixtrans-59.7-43.7-179.8-72.1-175.6-167.9-173.45.3112.7D1443 V1444 L1449 T1450 I1451D1443-R1447 WeakPolarHBondContact O-CG 3.33Å; D1443-R1447 PolarHBondContact O-N 3.46Å; V1444-R1447 PolarHBondContact O-N 2.88Å; R1447-L1449 VanDerWaalsContact C-N 3.31Å; R1447-T1450 PolarHBondContact O-N 3.04Å; R1447-I1451 WeakPolarHBondContact O-CG1 3.24Å; R1447-I1451 PolarHBondContact O-N 3.36Å
1448L56.5Low56.8Low28 Ų2868.9 Ų68.915%0.14736%0.362CS..Hα-helixtrans-61.2-42.8174.8-87.7165000111L1386 V1389 V1444 F1446 I1451 L1452L1386-L1448 HydrophobicContact CD2-CD1 3.45Å; L1386-L1448 VanDerWaalsContact CD2-CD1 3.45Å; L1386-L1448 HydrophobicContact CD2-CD2 4.1Å; L1386-L1448 HydrophobicContact CD2-CG 3.62Å; V1389-L1448 HydrophobicContact CG1-CD2 4.12Å; V1444-L1448 HydrophobicContact CG1-CD1 4.15Å; V1444-L1448 PolarHBondContact O-N 3.08Å; F1446-L1448 PolarHBondContact O-N 2.98Å; L1448-I1451 PolarHBondContact O-N 3.3Å; L1448-L1452 VanDerWaalsContact O-CB 3.26Å; L1448-L1452 WeakPolarHBondContact O-CB 3.48Å; L1448-L1452 WeakPolarHBondContact O-CG 3.48Å; L1448-L1452 PolarHBondContact O-N 2.94Å
1449L59.3Low57.1Low47 Ų4762.5 Ų62.525%0.24633%0.329CS..Hα-helixtrans-65.3-39-179.8-145.3110.8000111.9Q1445 F1446 R1447 Q1453 A1495Q1445-L1449 VanDerWaalsContact O-CB 3.32Å; Q1445-L1449 WeakPolarHBondContact O-CB 3.42Å; Q1445-L1449 PolarHBondContact O-N 3.37Å; F1446-L1449 WeakPolarHBondContact O-CB 3.11Å; F1446-L1449 PolarHBondContact O-N 2.96Å; F1446-L1449 VanDerWaalsContact O-N 3.08Å; R1447-L1449 VanDerWaalsContact C-N 3.31Å; L1449-Q1453 HydrophobicContact CD2-CG 4.44Å; L1449-Q1453 WeakPolarHBondContact O-CB 3.4Å; L1449-Q1453 VanDerWaalsContact O-CG 3.23Å; L1449-Q1453 WeakPolarHBondContact O-CG 3.27Å; L1449-Q1453 PolarHBondContact O-N 2.93Å; L1449-A1495 HydrophobicContact CD2-CB 3.42Å; L1449-A1495 VanDerWaalsContact CD2-CB 3.42Å
1450T61.4Low57.1Low47 Ų4763.4 Ų63.429%0.28833%0.332SS..Hα-helixtrans-64.4-46.3177.9-37.30000111.3F1446 R1447 Q1453 E1454F1446-T1450 PolarHBondContact O-N 3.36Å; F1446-T1450 PolarHBondContact O-OG1 3.33Å; R1447-T1450 PolarHBondContact O-N 3.04Å; T1450-Q1453 PolarHBondContact O-N 3.16Å; T1450-E1454 WeakPolarHBondContact O-CG 3.12Å; T1450-E1454 PolarHBondContact O-N 3.28Å
1451I57.9Low57.3Low34 Ų3463 Ų6317%0.17431%0.311CS..Hα-helixtrans-69-40.3-179.5-63.2167000110.7Q1390 L1393 R1447 L1448 E1454 T1455Q1390-I1451 HydrophobicContact CB-CD1 3.86Å; Q1390-I1451 HydrophobicContact CG-CD1 3.4Å; L1393-I1451 HydrophobicContact CB-CG2 3.66Å; L1393-I1451 HydrophobicContact CD1-CG2 3.73Å; L1393-I1451 HydrophobicContact CG-CG2 4.21Å; R1447-I1451 WeakPolarHBondContact O-CG1 3.24Å; R1447-I1451 PolarHBondContact O-N 3.36Å; L1448-I1451 PolarHBondContact O-N 3.3Å; I1451-E1454 PolarHBondContact O-N 2.95Å; I1451-T1455 WeakPolarHBondContact O-CB 3.01Å; I1451-T1455 WeakPolarHBondContact O-CG2 3.39Å; I1451-T1455 PolarHBondContact O-N 3.39Å; I1451-T1455 PolarHBondContact O-OG1 3.45Å
1452L58.6Low57.1Low21 Ų2161.5 Ų61.511%0.1130%0.301CS..Hα-helixtrans-65.8-37.6173.7-79.3164.3000111.7I1428 Y1432 L1448 T1455 L1456I1428-L1452 HydrophobicContact CG2-CD2 4.48Å; Y1432-L1452 HydrophobicContact CD2-CD1 4.16Å; Y1432-L1452 HydrophobicContact CE2-CD1 3.88Å; L1448-L1452 VanDerWaalsContact O-CB 3.26Å; L1448-L1452 WeakPolarHBondContact O-CB 3.48Å; L1448-L1452 WeakPolarHBondContact O-CG 3.48Å; L1448-L1452 PolarHBondContact O-N 2.94Å; L1452-T1455 VanDerWaalsContact CA-OG1 3.28Å; L1452-T1455 WeakPolarHBondContact CA-OG1 3.41Å; L1452-T1455 PolarHBondContact O-OG1 3.23Å; L1452-T1455 VanDerWaalsContact O-OG1 3.08Å; L1452-L1456 WeakPolarHBondContact O-CB 3.23Å; L1452-L1456 VanDerWaalsContact O-CG 3.25Å; L1452-L1456 WeakPolarHBondContact O-CG 3.5Å; L1452-L1456 PolarHBondContact O-N 3.24Å
1453Q61.3Low56.8Low82 Ų8258 Ų5838%0.38329%0.286SS..Hα-helixtrans-66.3-41.4175.1-83.8-177.9-14.600111.7L1449 T1450 A1457L1449-Q1453 HydrophobicContact CD2-CG 4.44Å; L1449-Q1453 WeakPolarHBondContact O-CB 3.4Å; L1449-Q1453 VanDerWaalsContact O-CG 3.23Å; L1449-Q1453 WeakPolarHBondContact O-CG 3.27Å; L1449-Q1453 PolarHBondContact O-N 2.93Å; T1450-Q1453 PolarHBondContact O-N 3.16Å; Q1453-A1457 WeakPolarHBondContact O-CA 3.36Å; Q1453-A1457 WeakPolarHBondContact O-CB 3.42Å; Q1453-A1457 PolarHBondContact O-N 3.18Å
1454E59.6Low56.5Low112 Ų11259 Ų5952%0.52329%0.29SS..Hα-helixtrans-65.4-44176.1-73.7-179.6174.800111.6T1450 I1451 F1458T1450-E1454 WeakPolarHBondContact O-CG 3.12Å; T1450-E1454 PolarHBondContact O-N 3.28Å; I1451-E1454 PolarHBondContact O-N 2.95Å; E1454-F1458 WeakPolarHBondContact O-CB 3.46Å; E1454-F1458 PolarHBondContact O-N 3.41Å
1455T56.5Low56.3Low17 Ų1764.7 Ų64.710%0.10432%0.32CS..Hα-helixtrans-68.9-43.8177.849.60000112.3L1393 I1451 L1452 F1458 C1459L1393-T1455 HydrophobicContact CD2-CG2 4.03Å; I1451-T1455 WeakPolarHBondContact O-CB 3.01Å; I1451-T1455 WeakPolarHBondContact O-CG2 3.39Å; I1451-T1455 PolarHBondContact O-N 3.39Å; I1451-T1455 PolarHBondContact O-OG1 3.45Å; L1452-T1455 VanDerWaalsContact CA-OG1 3.28Å; L1452-T1455 WeakPolarHBondContact CA-OG1 3.41Å; L1452-T1455 PolarHBondContact O-OG1 3.23Å; L1452-T1455 VanDerWaalsContact O-OG1 3.08Å; T1455-F1458 PolarHBondContact O-N 3.44Å; T1455-C1459 WeakPolarHBondContact O-CB 3.32Å; T1455-C1459 PolarHBondContact O-N 2.89Å; T1455-C1459 PolarHBondContact O-SG 2.66Å
1456L58.8Low56Low28 Ų2865.4 Ų65.415%0.14733%0.326CS..Hα-helixtrans-67.7-41.3175.7-75.8166.5000111.9L1452 F1458 C1459 I1460L1452-L1456 WeakPolarHBondContact O-CB 3.23Å; L1452-L1456 VanDerWaalsContact O-CG 3.25Å; L1452-L1456 WeakPolarHBondContact O-CG 3.5Å; L1452-L1456 PolarHBondContact O-N 3.24Å; L1456-F1458 VanDerWaalsContact C-N 3.28Å; L1456-F1458 PolarHBondContact O-N 2.83Å; L1456-C1459 PolarHBondContact O-N 3.44Å; L1456-I1460 HydrophobicContact CB-CD1 4.5Å; L1456-I1460 VanDerWaalsContact O-CB 3.27Å; L1456-I1460 WeakPolarHBondContact O-CB 3.2Å; L1456-I1460 WeakPolarHBondContact O-CD1 3.28Å; L1456-I1460 WeakPolarHBondContact O-CG1 3.47Å; L1456-I1460 PolarHBondContact O-N 2.79Å
1457A57.4Low55.3Low45 Ų4566.4 Ų66.437%0.37233%0.333SS..Hα-helixtrans-61-40.8176.700000111Q1453 I1460 E1461Q1453-A1457 WeakPolarHBondContact O-CA 3.36Å; Q1453-A1457 WeakPolarHBondContact O-CB 3.42Å; Q1453-A1457 PolarHBondContact O-N 3.18Å; A1457-I1460 PolarHBondContact O-N 2.69Å; A1457-E1461 WeakPolarHBondContact O-CB 3.34Å; A1457-E1461 PolarHBondContact O-N 2.8Å
1458F54.7Low54.4Low57 Ų5762.6 Ų62.625%0.2534%0.335CS..Hα-helixtrans-68.5-44175.3-178.2-95.6000112.3Y1400 T1401 E1454 T1455 L1456 I1460 E1461 Y1462Y1400-F1458 AromaticContact CD1-CE1 3.46Å; Y1400-F1458 HydrophobicContact CD1-CE1 3.46Å; Y1400-F1458 VanDerWaalsContact CD1-CE1 3.46Å; Y1400-F1458 AromaticContact CD1-CZ 3.86Å; Y1400-F1458 HydrophobicContact CD1-CZ 3.86Å; Y1400-F1458 HydrophobicContact CE1-CE1 4.02Å; Y1400-F1458 HydrophobicContact CE1-CZ 4.4Å; Y1400-F1458 HydrophobicContact CG-CE1 4.36Å; T1401-F1458 HydrophobicContact CG2-CD2 4.07Å; T1401-F1458 HydrophobicContact CG2-CE1 4.25Å; T1401-F1458 HydrophobicContact CG2-CE2 3.58Å; T1401-F1458 HydrophobicContact CG2-CZ 3.68Å; E1454-F1458 WeakPolarHBondContact O-CB 3.46Å; E1454-F1458 PolarHBondContact O-N 3.41Å; T1455-F1458 PolarHBondContact O-N 3.44Å; L1456-F1458 VanDerWaalsContact C-N 3.28Å; L1456-F1458 PolarHBondContact O-N 2.83Å; F1458-I1460 VanDerWaalsContact C-N 3.28Å; F1458-I1460 PolarHBondContact O-N 2.98Å; F1458-E1461 PolarHBondContact O-N 3.27Å; F1458-Y1462 WeakPolarHBondContact O-CB 3.39Å; F1458-Y1462 PolarHBondContact O-N 3.5Å
1459C55.1Low53.5Low25 Ų2568 Ų6817%0.16937%0.371CS..Hα-helixtrans-62.1-37.2175.4-67.40000111.6L1425 T1455 L1456 I1463L1425-C1459 WeakPolarHBondContact CD1-SG 3.19Å; T1455-C1459 WeakPolarHBondContact O-CB 3.32Å; T1455-C1459 PolarHBondContact O-N 2.89Å; T1455-C1459 PolarHBondContact O-SG 2.66Å; L1456-C1459 PolarHBondContact O-N 3.44Å; C1459-I1463 VanDerWaalsContact O-CB 3.27Å; C1459-I1463 WeakPolarHBondContact O-CB 3.49Å; C1459-I1463 WeakPolarHBondContact O-CD1 3.31Å; C1459-I1463 WeakPolarHBondContact O-CG1 3.31Å; C1459-I1463 PolarHBondContact O-N 3.43Å
1460I53.8Low52.7Low62 Ų6269 Ų6932%0.31839%0.393SS..Hα-helixtrans-72.8-44178.3-68.9165.4000110.8L1456 A1457 F1458 Y1462 I1463 L1464 L1488L1456-I1460 HydrophobicContact CB-CD1 4.5Å; L1456-I1460 VanDerWaalsContact O-CB 3.27Å; L1456-I1460 WeakPolarHBondContact O-CB 3.2Å; L1456-I1460 WeakPolarHBondContact O-CD1 3.28Å; L1456-I1460 WeakPolarHBondContact O-CG1 3.47Å; L1456-I1460 PolarHBondContact O-N 2.79Å; A1457-I1460 PolarHBondContact O-N 2.69Å; F1458-I1460 VanDerWaalsContact C-N 3.28Å; F1458-I1460 PolarHBondContact O-N 2.98Å; I1460-Y1462 VanDerWaalsContact C-N 3.27Å; I1460-Y1462 PolarHBondContact O-N 3.24Å; I1460-I1463 PolarHBondContact O-N 2.87Å; I1460-L1464 HydrophobicContact CG2-CD1 3.7Å; I1460-L1464 HydrophobicContact CG2-CG 4.27Å; I1460-L1464 VanDerWaalsContact O-CB 3.24Å; I1460-L1464 WeakPolarHBondContact O-CB 3.42Å; I1460-L1464 WeakPolarHBondContact O-CD1 3.32Å; I1460-L1464 WeakPolarHBondContact O-CG 3.48Å; I1460-L1464 PolarHBondContact O-N 3.31Å; I1460-L1488 HydrophobicContact CD1-CD1 3.86Å; I1460-L1488 HydrophobicContact CD1-CD2 3.48Å; I1460-L1488 VanDerWaalsContact CD1-CD2 3.48Å; I1460-L1488 HydrophobicContact CD1-CG 4.28Å
1461E54.7Low51.6Low98 Ų9875 Ų7546%0.45842%0.418SS..Hα-helixtrans-58.2-41.8172.9-84.8-175.9179.900110.8A1457 F1458 L1464 D1465 R1536A1457-E1461 WeakPolarHBondContact O-CB 3.34Å; A1457-E1461 PolarHBondContact O-N 2.8Å; F1458-E1461 PolarHBondContact O-N 3.27Å; E1461-L1464 PolarHBondContact O-N 3.3Å; E1461-D1465 PolarHBondContact O-N 2.96Å; E1461-R1536 IonicContact OE1-NH2 3.05Å; E1461-R1536 PolarHBondContact OE1-NH2 2.95Å
1462Y51.3Low50.4Low43 Ų4382.9 Ų82.917%0.16945%0.454CS..Hα-helixtrans-72.8-40.1179.6-165.4-97.4000113.8Y1400 A1404 F1412 F1458 I1460 L1464 D1465 L1466Y1400-Y1462 HydrophobicContact CE1-CD1 4.08Å; Y1400-Y1462 HydrophobicContact CE1-CD2 4.16Å; Y1400-Y1462 HydrophobicContact CE1-CE1 4.02Å; Y1400-Y1462 HydrophobicContact CE1-CE2 4.09Å; Y1400-Y1462 HydrophobicContact CE1-CG 4.16Å; Y1400-Y1462 AromaticContact CZ-CE1 3.86Å; Y1400-Y1462 WeakPolarHBondContact OH-CD1 3.24Å; Y1400-Y1462 WeakPolarHBondContact OH-CE1 3.29Å; A1404-Y1462 HydrophobicContact CB-CE2 4.16Å; F1412-Y1462 HydrophobicContact CE1-CE1 4.41Å; F1412-Y1462 WeakPolarHBondContact CE2-OH 3.47Å; F1412-Y1462 HydrophobicContact CZ-CE1 4.15Å; F1412-Y1462 AromaticContact CZ-CZ 3.93Å; F1412-Y1462 WeakPolarHBondContact CZ-OH 3.35Å; F1458-Y1462 WeakPolarHBondContact O-CB 3.39Å; F1458-Y1462 PolarHBondContact O-N 3.5Å; I1460-Y1462 VanDerWaalsContact C-N 3.27Å; I1460-Y1462 PolarHBondContact O-N 3.24Å; Y1462-L1464 VanDerWaalsContact C-N 3.26Å; Y1462-L1464 PolarHBondContact O-N 2.85Å; Y1462-D1465 PolarHBondContact O-N 3.42Å; Y1462-L1466 HydrophobicContact CD1-CD1 3.74Å; Y1462-L1466 HydrophobicContact CE1-CD1 3.35Å; Y1462-L1466 HydrophobicContact CE1-CG 4.13Å; Y1462-L1466 PolarHBondContact O-N 3.13Å
1463I51.9Low49.2Very low52 Ų5287.7 Ų87.727%0.26748%0.484SS..Hα-helixtrans-63.8-35.8172.6-70.8165.2000110Y1422 C1459 I1460 M1467Y1422-I1463 HydrophobicContact CE1-CG1 4.32Å; C1459-I1463 VanDerWaalsContact O-CB 3.27Å; C1459-I1463 WeakPolarHBondContact O-CB 3.49Å; C1459-I1463 WeakPolarHBondContact O-CD1 3.31Å; C1459-I1463 WeakPolarHBondContact O-CG1 3.31Å; C1459-I1463 PolarHBondContact O-N 3.43Å; I1460-I1463 PolarHBondContact O-N 2.87Å; I1463-M1467 VanDerWaalsContact O-CG 3.22Å; I1463-M1467 WeakPolarHBondContact O-CG 3.38Å; I1463-M1467 PolarHBondContact O-N 3.43Å
1464L50.3Low48.2Very low97 Ų9790.9 Ų90.951%0.50850%0.503SS..Hα-helixtrans-69.9-37.7175.8-73.1168.8000112.4I1460 E1461 Y1462 M1467I1460-L1464 HydrophobicContact CG2-CD1 3.7Å; I1460-L1464 HydrophobicContact CG2-CG 4.27Å; I1460-L1464 VanDerWaalsContact O-CB 3.24Å; I1460-L1464 WeakPolarHBondContact O-CB 3.42Å; I1460-L1464 WeakPolarHBondContact O-CD1 3.32Å; I1460-L1464 WeakPolarHBondContact O-CG 3.48Å; I1460-L1464 PolarHBondContact O-N 3.31Å; E1461-L1464 PolarHBondContact O-N 3.3Å; Y1462-L1464 VanDerWaalsContact C-N 3.26Å; Y1462-L1464 PolarHBondContact O-N 2.85Å; L1464-M1467 PolarHBondContact O-N 3.28Å
1465D50.9Low47.1Very low133 Ų13394.1 Ų94.171%0.71152%0.523SS*.Hα-helixtrans-68.6-33.9174.9-83.3-12.8000112.6E1461 Y1462 M1467E1461-D1465 PolarHBondContact O-N 2.96Å; Y1462-D1465 PolarHBondContact O-N 3.42Å; D1465-M1467 VanDerWaalsContact C-N 3.27Å; D1465-M1467 PolarHBondContact O-N 3.46Å
1466L49.7Very low46.5Very low90 Ų9098.4 Ų98.447%0.47155%0.549SS..Hα-helixtrans-69.7-19.6172.2-88.1163000113.6Y1422 Y1462 A1468Y1422-L1466 VanDerWaalsContact OH-CD1 3.26Å; Y1422-L1466 WeakPolarHBondContact OH-CD1 3.33Å; Y1462-L1466 HydrophobicContact CD1-CD1 3.74Å; Y1462-L1466 HydrophobicContact CE1-CD1 3.35Å; Y1462-L1466 HydrophobicContact CE1-CG 4.13Å; Y1462-L1466 PolarHBondContact O-N 3.13Å; L1466-A1468 PolarHBondContact O-N 3.29Å
1467M42.3Very low45.9Very low124 Ų124101.1 Ų101.161%0.61156%0.564SS**THydrogen-bonded Turntrans-82.524.9179.2-71.1-131.9-61.800114.1I1463 L1464 D1465I1463-M1467 VanDerWaalsContact O-CG 3.22Å; I1463-M1467 WeakPolarHBondContact O-CG 3.38Å; I1463-M1467 PolarHBondContact O-N 3.43Å; L1464-M1467 PolarHBondContact O-N 3.28Å; D1465-M1467 VanDerWaalsContact C-N 3.27Å; D1465-M1467 PolarHBondContact O-N 3.46Å
1468A41Very low45.2Very low73 Ų73109.6 Ų109.660%0.60359%0.586SS**  trans-54133.1169.100000110.5L1466 G1470L1466-A1468 PolarHBondContact O-N 3.29Å; A1468-G1470 PolarHBondContact O-N 2.88Å
1469P37.4Very low44.9Very low140 Ų140110.7 Ų110.791%0.90960%0.598SS**THydrogen-bonded Turntrans-76.199.8-165.729.7-33.5000111
1470G42.7Very low44.7Very low69 Ų69115.2 Ų115.271%0.71162%0.616SS**THydrogen-bonded Turntrans-164.1-35.9179.300000118.3A1468A1468-G1470 PolarHBondContact O-N 2.88Å
1471E37.2Very low44.7Very low172 Ų172116.2 Ų116.280%0.80462%0.622SS**  trans-120.2124.9-166.6-68.1-172.6155.900113.9T1473E1471-T1473 PolarHBondContact O-N 3Å
1472Q33.6Very low44.6Very low200 Ų200118.4 Ų118.494%0.93563%0.632SS**  trans-92.620.7-163-97.8-171.2-7.300115.8
1473T33.1Very low44.8Very low122 Ų122120.1 Ų120.175%0.74865%0.647SS**  trans-131.780.7-170.248.90000113.4E1471E1471-T1473 PolarHBondContact O-N 3Å
1474L41Very low44.8Very low150 Ų150119.5 Ų119.579%0.78564%0.644SS**  trans-167.4115.4143.4-105.2144.6000111.2V1476L1474-V1476 VanDerWaalsContact C-N 3.28Å; L1474-V1476 HydrophobicContact CD2-CG2 4.25Å; L1474-V1476 PolarHBondContact O-N 2.96Å
1475L35.1Very low44.9Very low180 Ų180123 Ų12394%0.94265%0.65SS**  trans-88.840.6-169.1-149.3110.6000112.4
1476V44.9Very low45Very low106 Ų106119.6 Ų119.664%0.64264%0.637SS**SBendtrans-101.594.7178.3-176.30000109.6L1474 R1478L1474-V1476 VanDerWaalsContact C-N 3.28Å; L1474-V1476 HydrophobicContact CD2-CG2 4.25Å; L1474-V1476 PolarHBondContact O-N 2.96Å; V1476-R1478 PolarHBondContact O-N 2.87Å
1477N45.1Very low45.1Very low85 Ų85119.4 Ų119.446%0.45563%0.633SS.*  trans29.482.8163.2-80.5-23000117.7T1479 H1480 L1481N1477-T1479 PolarHBondContact O-N 2.73Å; N1477-T1479 PolarHBondContact OD1-OG1 3.08Å; N1477-H1480 HydrophobicContact CB-CB 3.91Å; N1477-H1480 VanDerWaalsContact CB-CD2 3.45Å; N1477-H1480 WeakPolarHBondContact CB-CD2 3.45Å; N1477-H1480 PolarHBondContact ND2-CD2 3.11Å; N1477-H1480 PolarHBondContact ND2-NE2 2.87Å; N1477-H1480 PolarHBondContact O-N 2.86Å; N1477-L1481 PolarHBondContact O-N 2.76Å
1478R44.4Very low45.6Very low223 Ų223115 Ų11584%0.84261%0.613SS**Hα-helixtrans-46.6-29.3157.6-102.6-176.7174.2175.7-1.1112.9V1476 Q1482V1476-R1478 PolarHBondContact O-N 2.87Å; R1478-Q1482 PolarHBondContact O-N 3.11Å; R1478-Q1482 VanDerWaalsContact O-N 3.09Å
1479T48.1Very low46.2Very low80 Ų80116.6 Ų116.649%0.49161%0.607SS.*Hα-helixtrans-66.5-41.9175.443.30000112.9N1477 Q1482 V1483N1477-T1479 PolarHBondContact O-N 2.73Å; N1477-T1479 PolarHBondContact OD1-OG1 3.08Å; T1479-Q1482 PolarHBondContact O-N 3.27Å; T1479-V1483 VanDerWaalsContact O-CG2 3.25Å; T1479-V1483 WeakPolarHBondContact O-CG2 3.27Å; T1479-V1483 PolarHBondContact O-N 3.28Å
1480H51Low47Very low120 Ų120113.3 Ų113.356%0.55658%0.584SS**Hα-helixtrans-68.4-39.5178.4-83.8-107000111.5N1477 V1483 L1484N1477-H1480 HydrophobicContact CB-CB 3.91Å; N1477-H1480 VanDerWaalsContact CB-CD2 3.45Å; N1477-H1480 WeakPolarHBondContact CB-CD2 3.45Å; N1477-H1480 PolarHBondContact ND2-CD2 3.11Å; N1477-H1480 PolarHBondContact ND2-NE2 2.87Å; N1477-H1480 PolarHBondContact O-N 2.86Å; H1480-V1483 PolarHBondContact O-N 3.42Å; H1480-L1484 WeakPolarHBondContact O-CB 3.41Å; H1480-L1484 PolarHBondContact O-N 3.17Å
1481L52.4Low47.3Very low83 Ų83112.6 Ų112.644%0.43556%0.564SS.*Hα-helixtrans-66.6-36.3175.6-83.9162.1000112.9N1477 R1485N1477-L1481 PolarHBondContact O-N 2.76Å; L1481-R1485 WeakPolarHBondContact O-CB 3.22Å; L1481-R1485 PolarHBondContact O-N 2.94Å
1482Q53.6Low48.1Very low144 Ų144109.5 Ų109.567%0.67355%0.55SS*.Hα-helixtrans-69.7-40.2174.1-84.5-175.2-3100112.8R1478 T1479 R1485 S1486R1478-Q1482 PolarHBondContact O-N 3.11Å; R1478-Q1482 VanDerWaalsContact O-N 3.09Å; T1479-Q1482 PolarHBondContact O-N 3.27Å; Q1482-R1485 PolarHBondContact O-N 2.93Å; Q1482-S1486 PolarHBondContact O-N 3.46Å; Q1482-S1486 PolarHBondContact O-OG 3.24Å
1483V55Low48.8Very low79 Ų79104.4 Ų104.448%0.47953%0.532SS..Hα-helixtrans-64.9-43.2175.6171.40000110.7T1479 H1480 R1485 S1486 E1487T1479-V1483 VanDerWaalsContact O-CG2 3.25Å; T1479-V1483 WeakPolarHBondContact O-CG2 3.27Å; T1479-V1483 PolarHBondContact O-N 3.28Å; H1480-V1483 PolarHBondContact O-N 3.42Å; V1483-R1485 VanDerWaalsContact C-N 3.3Å; V1483-R1485 PolarHBondContact O-N 3.13Å; V1483-S1486 WeakPolarHBondContact CA-OG 3.42Å; V1483-S1486 PolarHBondContact O-N 3.02Å; V1483-S1486 PolarHBondContact O-OG 3.08Å; V1483-E1487 HydrophobicContact CG1-CG 4.26Å; V1483-E1487 WeakPolarHBondContact O-CB 3.25Å; V1483-E1487 VanDerWaalsContact O-CG 3.31Å; V1483-E1487 WeakPolarHBondContact O-CG 3.13Å; V1483-E1487 PolarHBondContact O-N 3.2Å
1484L51.2Low49.5Very low39 Ų39105.6 Ų105.620%0.20453%0.527CS..Hα-helixtrans-58.3-42.5173.9-92.4156.8000112I1429 H1480 L1488I1429-L1484 HydrophobicContact CG2-CD1 4.02Å; I1429-L1484 HydrophobicContact CG2-CD2 3.44Å; I1429-L1484 VanDerWaalsContact CG2-CD2 3.44Å; I1429-L1484 HydrophobicContact CG2-CG 4.16Å; H1480-L1484 WeakPolarHBondContact O-CB 3.41Å; H1480-L1484 PolarHBondContact O-N 3.17Å; L1484-L1488 HydrophobicContact CD2-CD1 4.49Å; L1484-L1488 WeakPolarHBondContact O-CB 3.42Å; L1484-L1488 PolarHBondContact O-N 3.3Å
1485R52.3Low49.7Very low170 Ų17099.5 Ų99.564%0.64250%0.498SS*.Hα-helixtrans-63.3-45.2177.1-170.7177.7-178167.96.4112.3L1481 Q1482 V1483 L1488 E1489L1481-R1485 WeakPolarHBondContact O-CB 3.22Å; L1481-R1485 PolarHBondContact O-N 2.94Å; Q1482-R1485 PolarHBondContact O-N 2.93Å; V1483-R1485 VanDerWaalsContact C-N 3.3Å; V1483-R1485 PolarHBondContact O-N 3.13Å; R1485-L1488 PolarHBondContact O-N 3.22Å; R1485-E1489 IonicContact NE-OE1 3.74Å; R1485-E1489 WeakPolarHBondContact O-CG 3.33Å; R1485-E1489 PolarHBondContact O-N 2.98Å; R1485-E1489 VanDerWaalsContact O-N 3.15Å
1486S54Low50.2Low62 Ų6296.4 Ų96.443%0.43448%0.478SS..Hα-helixtrans-67.9-38.8178.954.70000112.9Q1482 V1483 V1490Q1482-S1486 PolarHBondContact O-N 3.46Å; Q1482-S1486 PolarHBondContact O-OG 3.24Å; V1483-S1486 WeakPolarHBondContact CA-OG 3.42Å; V1483-S1486 PolarHBondContact O-N 3.02Å; V1483-S1486 PolarHBondContact O-OG 3.08Å; S1486-V1490 WeakPolarHBondContact O-CG2 3.41Å; S1486-V1490 PolarHBondContact O-N 2.91Å
1487E52.7Low50Low86 Ų8694.3 Ų94.340%0.40247%0.471SS..Hα-helixtrans-66.9-40.6176.7-73.3-81.2156.500111L1433 V1483 V1490 L1491L1433-E1487 HydrophobicContact CD2-CB 4.32Å; L1433-E1487 HydrophobicContact CD2-CG 3.98Å; V1483-E1487 HydrophobicContact CG1-CG 4.26Å; V1483-E1487 WeakPolarHBondContact O-CB 3.25Å; V1483-E1487 VanDerWaalsContact O-CG 3.31Å; V1483-E1487 WeakPolarHBondContact O-CG 3.13Å; V1483-E1487 PolarHBondContact O-N 3.2Å; E1487-V1490 PolarHBondContact O-N 3.22Å; E1487-L1491 WeakPolarHBondContact O-CB 3.3Å; E1487-L1491 WeakPolarHBondContact O-CD1 3.4Å; E1487-L1491 PolarHBondContact O-N 3.45Å
1488L52.2Low50Low33 Ų3393.4 Ų93.417%0.17347%0.472CS..Hα-helixtrans-64.3-40.1177.2-112.6118.1000113.1I1460 L1484 R1485 V1490 L1491 Q1492I1460-L1488 HydrophobicContact CD1-CD1 3.86Å; I1460-L1488 HydrophobicContact CD1-CD2 3.48Å; I1460-L1488 VanDerWaalsContact CD1-CD2 3.48Å; I1460-L1488 HydrophobicContact CD1-CG 4.28Å; L1484-L1488 HydrophobicContact CD2-CD1 4.49Å; L1484-L1488 WeakPolarHBondContact O-CB 3.42Å; L1484-L1488 PolarHBondContact O-N 3.3Å; R1485-L1488 PolarHBondContact O-N 3.22Å; L1488-V1490 VanDerWaalsContact C-N 3.3Å; L1488-V1490 PolarHBondContact O-N 3.44Å; L1488-L1491 PolarHBondContact O-N 3.5Å; L1488-Q1492 WeakPolarHBondContact O-CB 3.46Å; L1488-Q1492 WeakPolarHBondContact O-CG 3.46Å; L1488-Q1492 PolarHBondContact O-N 3.27Å
1489E53.8Low49.9Very low105 Ų10584.7 Ų84.749%0.49145%0.445SS..Hα-helixtrans-64.6-35.2176.8-75.5175.9-173.400111.5R1485 T1493R1485-E1489 IonicContact NE-OE1 3.74Å; R1485-E1489 WeakPolarHBondContact O-CG 3.33Å; R1485-E1489 PolarHBondContact O-N 2.98Å; R1485-E1489 VanDerWaalsContact O-N 3.15Å; E1489-T1493 PolarHBondContact O-N 2.65Å; E1489-T1493 PolarHBondContact O-OG1 3.18Å
1490V53.4Low49.4Very low71 Ų7185.8 Ų85.843%0.4345%0.447SS..Hα-helixtrans-72.7-36.7175.3174.40000112.2S1486 E1487 L1488 T1493 K1494S1486-V1490 WeakPolarHBondContact O-CG2 3.41Å; S1486-V1490 PolarHBondContact O-N 2.91Å; E1487-V1490 PolarHBondContact O-N 3.22Å; L1488-V1490 VanDerWaalsContact C-N 3.3Å; L1488-V1490 PolarHBondContact O-N 3.44Å; V1490-T1493 WeakPolarHBondContact CA-OG1 3.36Å; V1490-T1493 PolarHBondContact O-OG1 3.45Å; V1490-K1494 PolarHBondContact O-N 3.38Å; V1490-K1494 VanDerWaalsContact O-N 3.16Å
1491L50.2Low49Very low55 Ų5583.3 Ų83.329%0.28844%0.443SS..Hα-helixtrans-72.6-38.5177-81.9154.2000112.2Y1432 E1487 L1488 T1493 K1494 A1495Y1432-L1491 HydrophobicContact CD1-CD1 4.39Å; Y1432-L1491 HydrophobicContact CE1-CD1 3.62Å; Y1432-L1491 HydrophobicContact CE1-CD2 4.37Å; E1487-L1491 WeakPolarHBondContact O-CB 3.3Å; E1487-L1491 WeakPolarHBondContact O-CD1 3.4Å; E1487-L1491 PolarHBondContact O-N 3.45Å; L1488-L1491 PolarHBondContact O-N 3.5Å; L1491-T1493 VanDerWaalsContact C-N 3.31Å; L1491-T1493 PolarHBondContact O-N 3.35Å; L1491-K1494 PolarHBondContact O-N 2.99Å; L1491-A1495 VanDerWaalsContact O-CB 3.31Å; L1491-A1495 WeakPolarHBondContact O-CB 3.4Å; L1491-A1495 PolarHBondContact O-N 3.49Å
1492Q52.9Low48.4Very low107 Ų10784.2 Ų84.250%0.544%0.441SS..Hα-helixtrans-59.6-42.6173.6-80-177.4-12.100111.4L1488 F1496L1488-Q1492 WeakPolarHBondContact O-CB 3.46Å; L1488-Q1492 WeakPolarHBondContact O-CG 3.46Å; L1488-Q1492 PolarHBondContact O-N 3.27Å; Q1492-F1496 VanDerWaalsContact O-CB 3.22Å; Q1492-F1496 WeakPolarHBondContact O-CB 3.44Å; Q1492-F1496 PolarHBondContact O-N 3.06Å; Q1492-F1496 VanDerWaalsContact O-N 3.08Å
1493T49.4Very low47.8Very low93 Ų9381.9 Ų81.957%0.57144%0.436SS*.Hα-helixtrans-68.9-39.7178.737.80000113.1E1489 V1490 L1491 A1497E1489-T1493 PolarHBondContact O-N 2.65Å; E1489-T1493 PolarHBondContact O-OG1 3.18Å; V1490-T1493 WeakPolarHBondContact CA-OG1 3.36Å; V1490-T1493 PolarHBondContact O-OG1 3.45Å; L1491-T1493 VanDerWaalsContact C-N 3.31Å; L1491-T1493 PolarHBondContact O-N 3.35Å; T1493-A1497 PolarHBondContact O-N 3.43Å
1494K46.1Very low47Very low147 Ų14782.1 Ų82.164%0.63944%0.442SS*.Hα-helixtrans-69.8-42.3176.5-77.9-178.7178.5175.40113.6V1490 L1491 F1496 A1497 S1498V1490-K1494 PolarHBondContact O-N 3.38Å; V1490-K1494 VanDerWaalsContact O-N 3.16Å; L1491-K1494 PolarHBondContact O-N 2.99Å; K1494-F1496 VanDerWaalsContact C-N 3.34Å; K1494-A1497 PolarHBondContact O-N 2.96Å; K1494-S1498 PolarHBondContact O-N 3.1Å
1495A46.9Very low46.4Very low22 Ų2283.7 Ų83.718%0.18246%0.46CS..Hα-helixtrans-64-41.2176.900000111.3L1449 L1491 A1497 S1498 S1499L1449-A1495 HydrophobicContact CD2-CB 3.42Å; L1449-A1495 VanDerWaalsContact CD2-CB 3.42Å; L1491-A1495 VanDerWaalsContact O-CB 3.31Å; L1491-A1495 WeakPolarHBondContact O-CB 3.4Å; L1491-A1495 PolarHBondContact O-N 3.49Å; A1495-A1497 PolarHBondContact O-N 2.78Å; A1495-S1498 PolarHBondContact O-N 3.28Å; A1495-S1499 PolarHBondContact O-N 2.82Å; A1495-S1499 VanDerWaalsContact O-N 3.11Å; A1495-S1499 PolarHBondContact O-OG 3.45Å; A1495-S1499 VanDerWaalsContact O-OG 3.06Å
1496F44.9Very low46Very low115 Ų11581.9 Ų81.950%0.50446%0.462SS..Hα-helixtrans-64.1-39.3178.5-157.8-100.6000112.4Q1492 K1494 S1499 L1500 I1540Q1492-F1496 VanDerWaalsContact O-CB 3.22Å; Q1492-F1496 WeakPolarHBondContact O-CB 3.44Å; Q1492-F1496 PolarHBondContact O-N 3.06Å; Q1492-F1496 VanDerWaalsContact O-N 3.08Å; K1494-F1496 VanDerWaalsContact C-N 3.34Å; F1496-S1499 VanDerWaalsContact CA-OG 3.32Å; F1496-S1499 WeakPolarHBondContact CA-OG 3.27Å; F1496-S1499 PolarHBondContact O-N 3.09Å; F1496-S1499 PolarHBondContact O-OG 3.09Å; F1496-L1500 HydrophobicContact CD1-CD1 3.71Å; F1496-L1500 HydrophobicContact CE1-CD1 3.53Å; F1496-L1500 HydrophobicContact CZ-CD1 4.46Å; F1496-L1500 PolarHBondContact O-N 3.45Å; F1496-L1500 VanDerWaalsContact O-N 3.09Å; F1496-I1540 HydrophobicContact CZ-CG2 4.44Å
1497A41Very low45.2Very low62 Ų6283.6 Ų83.651%0.51247%0.472SS..Hα-helixtrans-64.4-37.1175.800000113.1T1493 K1494 A1495 L1500 S1501T1493-A1497 PolarHBondContact O-N 3.43Å; K1494-A1497 PolarHBondContact O-N 2.96Å; A1495-A1497 PolarHBondContact O-N 2.78Å; A1497-L1500 PolarHBondContact O-N 3.15Å; A1497-S1501 PolarHBondContact O-N 3.49Å
1498S44.8Very low44.2Very low66 Ų6687.4 Ų87.446%0.46249%0.49SS..Hα-helixtrans-68.3-40.4175.6160.60000112.7K1494 A1495 L1500 S1501 R1502K1494-S1498 PolarHBondContact O-N 3.1Å; A1495-S1498 PolarHBondContact O-N 3.28Å; S1498-L1500 VanDerWaalsContact C-N 3.34Å; S1498-S1501 PolarHBondContact O-N 3.08Å; S1498-S1501 PolarHBondContact O-OG 3.16Å; S1498-S1501 VanDerWaalsContact O-OG 3.08Å; S1498-R1502 PolarHBondContact O-N 2.99Å
1499S41.8Very low43.5Very low39 Ų3993.2 Ų93.227%0.27353%0.527SS..Hα-helixtrans-66-35.3174.238.10000112.6A1495 F1496 R1502 V1503A1495-S1499 PolarHBondContact O-N 2.82Å; A1495-S1499 VanDerWaalsContact O-N 3.11Å; A1495-S1499 PolarHBondContact O-OG 3.45Å; A1495-S1499 VanDerWaalsContact O-OG 3.06Å; F1496-S1499 VanDerWaalsContact CA-OG 3.32Å; F1496-S1499 WeakPolarHBondContact CA-OG 3.27Å; F1496-S1499 PolarHBondContact O-N 3.09Å; F1496-S1499 PolarHBondContact O-OG 3.09Å; S1499-R1502 PolarHBondContact O-N 2.82Å; S1499-V1503 VanDerWaalsContact O-CG2 3.32Å; S1499-V1503 WeakPolarHBondContact O-CG2 3.18Å; S1499-V1503 PolarHBondContact O-N 3.28Å; S1499-V1503 VanDerWaalsContact O-N 3.15Å
1500L38.9Very low42.4Very low103 Ų10391.7 Ų91.754%0.53954%0.539SS..Hα-helixtrans-68-33.3177.8-112.1139.7000113F1496 A1497 S1498 V1503 S1504F1496-L1500 HydrophobicContact CD1-CD1 3.71Å; F1496-L1500 HydrophobicContact CE1-CD1 3.53Å; F1496-L1500 HydrophobicContact CZ-CD1 4.46Å; F1496-L1500 PolarHBondContact O-N 3.45Å; F1496-L1500 VanDerWaalsContact O-N 3.09Å; A1497-L1500 PolarHBondContact O-N 3.15Å; S1498-L1500 VanDerWaalsContact C-N 3.34Å; L1500-V1503 PolarHBondContact O-N 3.45Å; L1500-S1504 PolarHBondContact O-N 3.41Å
1501S42.1Very low41.4Very low68 Ų6896.2 Ų96.248%0.47656%0.561SS.*Hα-helixtrans-72.2-30.9177.975.90000113.2A1497 S1498 S1504 A1505A1497-S1501 PolarHBondContact O-N 3.49Å; S1498-S1501 PolarHBondContact O-N 3.08Å; S1498-S1501 PolarHBondContact O-OG 3.16Å; S1498-S1501 VanDerWaalsContact O-OG 3.08Å; S1501-S1504 PolarHBondContact O-OG 3Å; S1501-S1504 VanDerWaalsContact O-OG 3.09Å; S1501-A1505 WeakPolarHBondContact O-CB 3.32Å; S1501-A1505 PolarHBondContact O-N 3.47Å
1502R39.5Very low40.4Very low102 Ų102105.3 Ų105.339%0.38559%0.591SS.*Hα-helixtrans-73.7-35.3171.9-90.9-179.6165.3-168.2-6.7111.7D1443 S1498 S1499 S1504 A1505 I1506D1443-R1502 IonicContact OD1-CZ 3.3Å; D1443-R1502 VanDerWaalsContact OD1-CZ 3.3Å; D1443-R1502 IonicContact OD1-NH1 2.76Å; D1443-R1502 PolarHBondContact OD1-NH1 2.89Å; D1443-R1502 IonicContact OD1-NH2 2.86Å; D1443-R1502 PolarHBondContact OD1-NH2 3.4Å; S1498-R1502 PolarHBondContact O-N 2.99Å; S1499-R1502 PolarHBondContact O-N 2.82Å; R1502-S1504 VanDerWaalsContact C-N 3.32Å; R1502-S1504 PolarHBondContact O-N 3.33Å; R1502-A1505 PolarHBondContact O-N 3.09Å; R1502-I1506 WeakPolarHBondContact O-CG1 3.22Å; R1502-I1506 PolarHBondContact O-N 3.07Å
1503V40.9Very low39.5Very low96 Ų96109.1 Ų109.158%0.58261%0.609SS**Hα-helixtrans-66.4-33173.1175.50000111.5S1499 L1500 C1507S1499-V1503 VanDerWaalsContact O-CG2 3.32Å; S1499-V1503 WeakPolarHBondContact O-CG2 3.18Å; S1499-V1503 PolarHBondContact O-N 3.28Å; S1499-V1503 VanDerWaalsContact O-N 3.15Å; L1500-V1503 PolarHBondContact O-N 3.45Å; V1503-C1507 PolarHBondContact O-SG 2.93Å
1504S37.3Very low38.8Very low84 Ų84113.7 Ų113.759%0.58762%0.624SS**Hα-helixtrans-76.5-28174.375.50000114.2L1500 S1501 R1502L1500-S1504 PolarHBondContact O-N 3.41Å; S1501-S1504 PolarHBondContact O-OG 3Å; S1501-S1504 VanDerWaalsContact O-OG 3.09Å; R1502-S1504 VanDerWaalsContact C-N 3.32Å; R1502-S1504 PolarHBondContact O-N 3.33Å
1505A40Very low38.6Very low71 Ų71113.4 Ų113.459%0.58763%0.629SS**Hα-helixtrans-80.5-23.5-178.900000113.9S1501 R1502 C1507S1501-A1505 WeakPolarHBondContact O-CB 3.32Å; S1501-A1505 PolarHBondContact O-N 3.47Å; R1502-A1505 PolarHBondContact O-N 3.09Å; A1505-C1507 VanDerWaalsContact C-N 3.33Å
1506I43.5Very low38.5Very low133 Ų133117.2 Ų117.268%0.68265%0.646SS**THydrogen-bonded Turntrans-84.8-10.8177.3-63.3167.6000111.5R1502R1502-I1506 WeakPolarHBondContact O-CG1 3.22Å; R1502-I1506 PolarHBondContact O-N 3.07Å
1507C37.1Very low38.4Very low97 Ų97118.9 Ų118.966%0.65565%0.653SS**THydrogen-bonded Turntrans-99.526.9-177.7-71.90000115.1V1503 A1505V1503-C1507 PolarHBondContact O-SG 2.93Å; A1505-C1507 VanDerWaalsContact C-N 3.33Å
1508E32.6Very low38.6Very low167 Ų167118.1 Ų118.178%0.7865%0.647SS**  trans-87.1129.7165.2-73-170.116400110.6
1509V36.4Very low38.7Very low155 Ų155118.9 Ų118.994%0.93965%0.649SS**SBendtrans93.991.1179.8-164.50000115.7
1510G30.8Very low39Very low73 Ų73121.5 Ų121.575%0.75366%0.66SS**SBendtrans116.393.8146.500000117.2
1511D31.7Very low39.4Very low166 Ų166119.2 Ų119.289%0.88865%0.652SS**  trans59.9105.2162.3-72.6-24.2000121.2Q1513D1511-Q1513 PolarHBondContact O-N 3.03Å
1512R29.3Very low39.5Very low245 Ų245124.7 Ų124.793%0.92566%0.663SS**  trans-66.696.9161.8-70.2172.8171.5172.4-2.8110.2
1513Q34Very low39.8Very low187 Ų187126.9 Ų126.987%0.87468%0.675SS**SBendtrans174131.5145.8-96.5160.318.900107.9D1511D1511-Q1513 PolarHBondContact O-N 3.03Å
1514E35.2Very low40Very low189 Ų189124.6 Ų124.688%0.88367%0.667SS**  trans79.178177.1-54.7-175.6163.500117.1D1516E1514-D1516 VanDerWaalsContact C-N 3.33Å; E1514-D1516 PolarHBondContact O-N 3.48Å
1515L41.8Very low40.5Very low141 Ų141126.6 Ų126.674%0.73867%0.669SS**  trans-74.288.6159.9-135102.4000108.6L1520L1515-L1520 HydrophobicContact CD2-CD1 4.4Å; L1515-L1520 HydrophobicContact CD2-CG 4.27Å
1516D44Very low40.5Very low103 Ų103130.1 Ų130.155%0.55168%0.678SS**  trans-66.8146.9-174.3-161.74.9000112.5E1514 A1518 T1519 L1520E1514-D1516 VanDerWaalsContact C-N 3.33Å; E1514-D1516 PolarHBondContact O-N 3.48Å; D1516-A1518 PolarHBondContact O-N 2.81Å; D1516-T1519 PolarHBondContact O-N 3.35Å; D1516-T1519 PolarHBondContact O-OG1 3.01Å; D1516-L1520 PolarHBondContact O-N 3.39Å
1517K44.3Very low40.5Very low149 Ų149126.6 Ų126.665%0.64867%0.665SS**Hα-helixtrans-53.6-29.3177.9-105.4178.9176.9177.60111.9S1521K1517-S1521 WeakPolarHBondContact O-CB 3.46Å; K1517-S1521 PolarHBondContact O-N 3.12Å; K1517-S1521 PolarHBondContact O-OG 3.32Å
1518A45.2Very low40.5Very low47 Ų47125.3 Ų125.339%0.38867%0.668SS.*Hα-helixtrans-63.9-3817600000112.7D1516 S1521 R1522D1516-A1518 PolarHBondContact O-N 2.81Å; A1518-S1521 WeakPolarHBondContact CA-OG 3.44Å; A1518-S1521 PolarHBondContact O-N 3.05Å; A1518-S1521 PolarHBondContact O-OG 2.81Å; A1518-R1522 PolarHBondContact O-N 2.9Å
1519T46.8Very low40.7Very low81 Ų81119.1 Ų119.150%0.49764%0.644SS.*Hα-helixtrans-73.6-40.1-178.6-35.10000111.1D1516 S1521 R1522 F1523D1516-T1519 PolarHBondContact O-N 3.35Å; D1516-T1519 PolarHBondContact O-OG1 3.01Å; T1519-S1521 VanDerWaalsContact C-N 3.33Å; T1519-R1522 PolarHBondContact O-N 3.33Å; T1519-F1523 WeakPolarHBondContact O-CB 3.42Å; T1519-F1523 PolarHBondContact O-N 3.27Å
1520L46.7Very low40.6Very low95 Ų95118.4 Ų118.450%0.49764%0.642SS.*Hα-helixtrans-64.4-36170.1-81.4161.9000112.1L1515 D1516 F1523 A1524L1515-L1520 HydrophobicContact CD2-CD1 4.4Å; L1515-L1520 HydrophobicContact CD2-CG 4.27Å; D1516-L1520 PolarHBondContact O-N 3.39Å; L1520-F1523 PolarHBondContact O-N 2.86Å; L1520-A1524 WeakPolarHBondContact O-CB 3.36Å; L1520-A1524 PolarHBondContact O-N 3.07Å
1521S47.3Very low41.1Very low55 Ų55119.2 Ų119.239%0.38564%0.636SS.*Hα-helixtrans-69.6-37.2175.176.80000112.8K1517 A1518 T1519 A1524 I1525K1517-S1521 WeakPolarHBondContact O-CB 3.46Å; K1517-S1521 PolarHBondContact O-N 3.12Å; K1517-S1521 PolarHBondContact O-OG 3.32Å; A1518-S1521 WeakPolarHBondContact CA-OG 3.44Å; A1518-S1521 PolarHBondContact O-N 3.05Å; A1518-S1521 PolarHBondContact O-OG 2.81Å; T1519-S1521 VanDerWaalsContact C-N 3.33Å; S1521-A1524 PolarHBondContact O-N 3.46Å; S1521-I1525 WeakPolarHBondContact O-CD1 3.5Å; S1521-I1525 VanDerWaalsContact O-CG1 3.22Å; S1521-I1525 WeakPolarHBondContact O-CG1 3.16Å; S1521-I1525 PolarHBondContact O-N 3.01Å
1522R45.9Very low41.6Very low183 Ų183116.2 Ų116.269%0.69162%0.62SS**Hα-helixtrans-66.3-41172.8-83.6-178.9175.2163.1-0.9111.2A1518 T1519 A1524 I1525 D1526A1518-R1522 PolarHBondContact O-N 2.9Å; T1519-R1522 PolarHBondContact O-N 3.33Å; R1522-A1524 VanDerWaalsContact C-N 3.29Å; R1522-A1524 PolarHBondContact O-N 3.26Å; R1522-I1525 PolarHBondContact O-N 3.4Å; R1522-I1525 VanDerWaalsContact O-N 3.12Å; R1522-D1526 WeakPolarHBondContact O-CB 3.5Å; R1522-D1526 PolarHBondContact O-N 3.49Å
1523F45Very low42.3Very low147 Ų147109.6 Ų109.665%0.64560%0.603SS**Hα-helixtrans-63.4-34.9175.4-143.8-86.7000112.3T1519 L1520 S1527T1519-F1523 WeakPolarHBondContact O-CB 3.42Å; T1519-F1523 PolarHBondContact O-N 3.27Å; L1520-F1523 PolarHBondContact O-N 2.86Å; F1523-S1527 VanDerWaalsContact O-CB 3.27Å; F1523-S1527 WeakPolarHBondContact O-CB 3.39Å; F1523-S1527 PolarHBondContact O-N 3.33Å; F1523-S1527 PolarHBondContact O-OG 3.18Å
1524A44.8Very low42.7Very low49 Ų49106 Ų10641%0.40559%0.589SS.*Hα-helixtrans-71.6-28.7173.700000113.4L1520 S1521 R1522 S1527L1520-A1524 WeakPolarHBondContact O-CB 3.36Å; L1520-A1524 PolarHBondContact O-N 3.07Å; S1521-A1524 PolarHBondContact O-N 3.46Å; R1522-A1524 VanDerWaalsContact C-N 3.29Å; R1522-A1524 PolarHBondContact O-N 3.26Å; A1524-S1527 PolarHBondContact O-OG 3.09Å
1525I47.4Very low43Very low125 Ų125103 Ų10364%0.64158%0.575SS**Hα-helixtrans-78.5-42176.2-67.9163.2000110.7S1521 R1522 S1527S1521-I1525 WeakPolarHBondContact O-CD1 3.5Å; S1521-I1525 VanDerWaalsContact O-CG1 3.22Å; S1521-I1525 WeakPolarHBondContact O-CG1 3.16Å; S1521-I1525 PolarHBondContact O-N 3.01Å; R1522-I1525 PolarHBondContact O-N 3.4Å; R1522-I1525 VanDerWaalsContact O-N 3.12Å; I1525-S1527 VanDerWaalsContact C-N 3.3Å; I1525-S1527 PolarHBondContact O-N 3.24Å
1526D41.4Very low43Very low145 Ų145103.4 Ų103.478%0.77557%0.567SS**Hα-helixtrans-74.8-18.2-179.4-72.1-20.4000113.1R1522R1522-D1526 WeakPolarHBondContact O-CB 3.5Å; R1522-D1526 PolarHBondContact O-N 3.49Å
1527S43.6Very low43.1Very low59 Ų59101.8 Ų101.841%0.41356%0.557SS.*THydrogen-bonded Turntrans-92.68.2178.5560000114.9F1523 A1524 I1525 S1529F1523-S1527 VanDerWaalsContact O-CB 3.27Å; F1523-S1527 WeakPolarHBondContact O-CB 3.39Å; F1523-S1527 PolarHBondContact O-N 3.33Å; F1523-S1527 PolarHBondContact O-OG 3.18Å; A1524-S1527 PolarHBondContact O-OG 3.09Å; I1525-S1527 VanDerWaalsContact C-N 3.3Å; I1525-S1527 PolarHBondContact O-N 3.24Å; S1527-S1529 PolarHBondContact O-N 3.38Å; S1527-S1529 PolarHBondContact O-OG 3.24Å
1528G36.8Very low42.8Very low70 Ų7099 Ų9972%0.72255%0.547SS*.THydrogen-bonded Turntrans6313.9163.100000117
1529S35.4Very low42.6Very low38 Ų38105.5 Ų105.527%0.26656%0.561SS.*  trans-119.6101.9-176.843.70000111.3S1527 S1531S1527-S1529 PolarHBondContact O-N 3.38Å; S1527-S1529 PolarHBondContact O-OG 3.24Å; S1529-S1531 PolarHBondContact O-N 3.18Å; S1529-S1531 VanDerWaalsContact O-N 3.08Å
1530P36Very low42.3Very low139 Ų139106 Ų10690%0.90356%0.56SS**THydrogen-bonded Turntrans-78.216.5-175.230.6-32.9000114.7
1531S40.1Very low42Very low90 Ų90106.8 Ų106.863%0.62956%0.564SS**THydrogen-bonded Turntrans-121.82.4-17256.50000115.8S1529 N1533S1529-S1531 PolarHBondContact O-N 3.18Å; S1529-S1531 VanDerWaalsContact O-N 3.08Å; S1531-N1533 PolarHBondContact O-N 3.11Å
1532L42.6Very low41.5Very low103 Ų103113.3 Ų113.354%0.53958%0.58SS.*  trans-75.189175.6-91.2152000111.2L1534 I1537L1532-L1534 PolarHBondContact O-N 2.87Å; L1532-L1534 VanDerWaalsContact O-N 3.09Å; L1532-I1537 HydrophobicContact CD2-CD1 4.1Å; L1532-I1537 HydrophobicContact CD2-CG1 4.36Å
1533N44.2Very low41.2Very low106 Ų106114.5 Ų114.557%0.56759%0.586SS**  trans-57109.9176.4-153.8-19000110S1531 Q1535 R1536S1531-N1533 PolarHBondContact O-N 3.11Å; N1533-Q1535 PolarHBondContact O-N 3.36Å; N1533-R1536 WeakPolarHBondContact O-CB 3.32Å; N1533-R1536 PolarHBondContact O-N 2.7Å
1534L43.1Very low40.8Very low112 Ų112111.6 Ų111.659%0.58658%0.584SS**Hα-helixtrans-50.1-29.6-179-113.8118.4000112.9L1532 R1536 E1538L1532-L1534 PolarHBondContact O-N 2.87Å; L1532-L1534 VanDerWaalsContact O-N 3.09Å; L1534-R1536 VanDerWaalsContact C-N 3.34Å; L1534-R1536 PolarHBondContact O-N 3.48Å; L1534-E1538 PolarHBondContact O-N 3.45Å
1535Q40.7Very low40.2Very low126 Ų126115 Ų11559%0.58960%0.6SS**Hα-helixtrans-67.9-28.1175.8-71.9-172.2-12.300114.1N1533 R1539N1533-Q1535 PolarHBondContact O-N 3.36Å; Q1535-R1539 WeakPolarHBondContact O-CB 3.4Å; Q1535-R1539 WeakPolarHBondContact O-CG 3.36Å; Q1535-R1539 PolarHBondContact O-N 3.46Å
1536R42.6Very low39.4Very low149 Ų149114.9 Ų114.956%0.56261%0.609SS**Hα-helixtrans-76.2-39.9178.8-136.6175.9-171.5170.16.3110.2E1461 N1533 L1534 R1539 I1540E1461-R1536 IonicContact OE1-NH2 3.05Å; E1461-R1536 PolarHBondContact OE1-NH2 2.95Å; N1533-R1536 WeakPolarHBondContact O-CB 3.32Å; N1533-R1536 PolarHBondContact O-N 2.7Å; L1534-R1536 VanDerWaalsContact C-N 3.34Å; L1534-R1536 PolarHBondContact O-N 3.48Å; R1536-R1539 PolarHBondContact O-N 2.94Å; R1536-I1540 HydrophobicContact CG-CD1 4.49Å; R1536-I1540 WeakPolarHBondContact O-CB 3.36Å; R1536-I1540 WeakPolarHBondContact O-CD1 3.32Å; R1536-I1540 WeakPolarHBondContact O-CG1 3.47Å; R1536-I1540 PolarHBondContact O-N 3.33Å
1537I45.2Very low38.8Very low69 Ų69117.3 Ų117.335%0.35462%0.616SS.*Hα-helixtrans-66.6-41.6173.1-60.6174.6000110.8L1532 R1539 I1540 L1541L1532-I1537 HydrophobicContact CD2-CD1 4.1Å; L1532-I1537 HydrophobicContact CD2-CG1 4.36Å; I1537-R1539 PolarHBondContact O-N 3.29Å; I1537-I1540 PolarHBondContact O-N 3.34Å; I1537-L1541 HydrophobicContact CG2-CD1 3.76Å; I1537-L1541 HydrophobicContact CG2-CG 4.33Å; I1537-L1541 WeakPolarHBondContact O-CB 3.37Å; I1537-L1541 WeakPolarHBondContact O-CG 3.46Å; I1537-L1541 PolarHBondContact O-N 3.47Å
1538E38.5Very low38.1Very low91 Ų91120.2 Ų120.243%0.42563%0.633SS.*Hα-helixtrans-64-35.8173.2-82.7-172.5165.300113.2L1534 R1542L1534-E1538 PolarHBondContact O-N 3.45Å; E1538-R1542 WeakPolarHBondContact O-CG 3.37Å; E1538-R1542 PolarHBondContact O-N 2.91Å
1539R40.8Very low37.5Very low183 Ų183127.2 Ų127.269%0.69166%0.661SS**Hα-helixtrans-69.2-41.4173.7-84.8-177.5-179.4171.22112Q1535 R1536 I1537 R1542 Y1543Q1535-R1539 WeakPolarHBondContact O-CB 3.4Å; Q1535-R1539 WeakPolarHBondContact O-CG 3.36Å; Q1535-R1539 PolarHBondContact O-N 3.46Å; R1536-R1539 PolarHBondContact O-N 2.94Å; I1537-R1539 PolarHBondContact O-N 3.29Å; R1539-R1542 PolarHBondContact O-N 3.38Å; R1539-Y1543 WeakPolarHBondContact O-CD2 3.33Å
1540I40.5Very low37.6Very low91 Ų91131.7 Ų131.747%0.46768%0.681SS.*Hα-helixtrans-70.6-37.3-178.7-67.5164.3000111.1F1496 R1536 I1537 R1542 Y1543F1496-I1540 HydrophobicContact CZ-CG2 4.44Å; R1536-I1540 HydrophobicContact CG-CD1 4.49Å; R1536-I1540 WeakPolarHBondContact O-CB 3.36Å; R1536-I1540 WeakPolarHBondContact O-CD1 3.32Å; R1536-I1540 WeakPolarHBondContact O-CG1 3.47Å; R1536-I1540 PolarHBondContact O-N 3.33Å; I1537-I1540 PolarHBondContact O-N 3.34Å; I1540-R1542 VanDerWaalsContact C-N 3.28Å; I1540-R1542 PolarHBondContact O-N 3.05Å; I1540-Y1543 PolarHBondContact O-N 3.43Å
1541L39.2Very low37.7Very low112 Ų112131.3 Ų131.359%0.58667%0.669SS**Hα-helixtrans-68.4-22173-73.8168000113.6I1537 S1544I1537-L1541 HydrophobicContact CG2-CD1 3.76Å; I1537-L1541 HydrophobicContact CG2-CG 4.33Å; I1537-L1541 WeakPolarHBondContact O-CB 3.37Å; I1537-L1541 WeakPolarHBondContact O-CG 3.46Å; I1537-L1541 PolarHBondContact O-N 3.47Å; L1541-S1544 PolarHBondContact O-OG 3.2Å
1542R37Very low37.6Very low193 Ų193133.6 Ų133.673%0.72867%0.672SS**Hα-helixtrans-77.4-21174.1-79.3179.1-174.7-171.84.3113.6E1538 R1539 I1540E1538-R1542 WeakPolarHBondContact O-CG 3.37Å; E1538-R1542 PolarHBondContact O-N 2.91Å; R1539-R1542 PolarHBondContact O-N 3.38Å; I1540-R1542 VanDerWaalsContact C-N 3.28Å; I1540-R1542 PolarHBondContact O-N 3.05Å
1543Y40.4Very low37.3Very low207 Ų207135.4 Ų135.481%0.81268%0.68SS**SBendtrans-86.8-10.5-178.8-90-81.4000114.5R1539 I1540 T1545R1539-Y1543 WeakPolarHBondContact O-CD2 3.33Å; I1540-Y1543 PolarHBondContact O-N 3.43Å; Y1543-T1545 PolarHBondContact O-N 3.04Å
1544S35.4Very low36.9Very low86 Ų86137.3 Ų137.360%0.60169%0.687SS**  trans-94.321.5-173.763.40000115.6L1541L1541-S1544 PolarHBondContact O-OG 3.2Å
1545T32.5Very low36.4Very low122 Ų122138.9 Ų138.975%0.74869%0.693SS**  trans-99.520.5-179.348.60000115.1Y1543Y1543-T1545 PolarHBondContact O-N 3.04Å
1546C31.3Very low36.1Very low122 Ų122139.9 Ų139.982%0.82470%0.701SS**SBendtrans-126.1127173.2-78.30000112.1
1547Q28.2Very low35.6Very low196 Ų196139.2 Ų139.292%0.91671%0.711SS**  trans-54.6167.9-175.4-89.6-177-24.500116.2
1548P29.7Very low34.8Very low120 Ų120145 Ų14578%0.77974%0.741SS**  trans-93.9160-139.238-36.3000116.5
1549V24.7Very low34.5Very low217 Ų217149.9 Ų149.9100%1.31577%0.77SS**  trans-117.70143173.60000107.6

Retrieved 1,549 of 1,549 residues in 1548.3 ms (Link to these results)

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