A0A5K4FCC1_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A5K4FCC1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,036 aa.

>A0A5K4FCC1_SCHMA|A0A5K4FCC1
MYESIQREELFAICSIFPDLITSVNGIKKLHIPVDSVRDLDKANFPVQVSLKISSIIRPSGLKKVVIIHLSCSPTYPETLLNFRIKGDKRVTKAQISVLHDVLKQLTETMRGQICMKELIEASHDFLKSLSTPIVDCQTQQDLNLRNDDNLVSKLKMVKREIEYIDEAIQWRLSLNDSEIEGKKEAYQLSEIFCQSEVHRLDTQSLSVHLNSHRYQPSYPDVIEGCPLTRHMSVCSLKMLYLEDYKKLKKYTNFEQYEAAHKSRESTFIDIQRGCCADGPHDRFNVRSTDIFPCVCYFDGLEVKTGASIQLHEWVFHTNSAYLTSNNFLDSFLTQLAYFARQDKHPNLCRILGVECTRNLPACGIDIDAYHQNMEKSWENWDVVRLITERPKGTSLESVGSGVLSPVANEQLGPNLFSVSKPLEIDDKKLMWLRYVIHQIVSAVSWLHTYSFVHRNLHPSNIFVDNSGHVTLCKYEFFARLDQIVSENLKQLGVQLPPKTYQSAVHYFGRSVQQRDLHQLGLVILHILIGKLPHANSTEIVSLISEVLDGLKITQPVFRDFLQTCLYANHNDHTTSVVDYIMSHQFLHDSIPCNFLSTKSNKIELNLSAMTRTSNQINALNNPDLQTVEGNATSKCPRLFEDFTDFVLIGKGGFGCVLKARNIIEDRDYAIKCVRASKSQTNTLFREIRTLSGLQHENIVRYFTSWQDTFTEPLPHKNMPCSDWNKKWDDSKYRNCKSTSFCSEDNEEEEEEGRTSHHLYRNPITLKSQKSCPTPTHINTTLDELTELVTNGNDFDKRILNNSSSHINDESWYIGTKKPTNVVRNHFFRIPGESSDETEHTNDYSSSPTSLSCSYLSSDVSDLSTQFEDNFLNNQKTSDTFVNKDVYDVNNSQNNEIEKSVREYRYIIIQMELCPSKSLRYVIDSENLSCSPDRAWSLFRELTDGLAYIHSKGVIHRDLKPANIMLDSNDHVKIVDFGLATRTVQEKLMNARQAVAAEFHKCSKQTECSDSTQQIPPVGHKEVPNSTGQHENTMKFDDHSMTHNVGTFFYISPEVLLLDSQKNRIYDERVDIYSLGIILFEMFYRAMPTAMERVLILTELRKEKIIFPKDWSQDELVNQTWLIRTMLQHDPSKRPSASDLLTSSRVPPFKSTEAAFKKQLMEICKTPDSNLYRFVTHTLFSQACSNASDLLYDCNTWITSVQHDISQIDGSFLSQLLTKDCFMQDDPNRVLFNFLKTRRFITHIVETSFIAHSGVLLESPTLVPVIHRPYQTSWFSQSKQDNNDLCDVNDNQNAEFWDRLSAAPVLLDENGLPVRLPDSLHIPFARYLARSGSVLLENRNESDPLKRYEFARTYHSSSVSNTSGPHMLFGCPVEVNRATFDIVSLENSTYWATELFVILREVTNKLFQSKEISFFLYVNHTSLIKALFKLSGIQSGSRATVWRHLSEANADPKPVNPSTYSSFFSSVNCSTAYCTTTSYSSSSNSSLSGSSRLNEPTRSLILPDYLTSKPRGHAQKRFMKIIRLESSHIHYIREVFIQHSAQQCHTISKLVDGAVKLLEELTDIYTKFDWSERFHLRFTPGLVLPHHMYNGLIFQLVALGDLSPKSTVLSSSTSIYYPRHLEDSSIKMNPKININIASSRINDTSPILYVLGQGGEYNHLIAKHCVPKEFGTIRLPRKISRCNSASNNLGMTALTIDKCPYAIGLSFDMDKLVHCYMTSFCKNTMQVSYNLHDCIIFNPKWRILLGWESRTVETLHDLYTCPFRNPTTQYTRRSGLGSSQRSSSECGINTSANATNTMSPTNNCASDFSNSANNITVPYTSTSGTPNPTSSSESFVLTQNVLKLAFHLAQIFWNLSWTCDLLTKSDSDLVREAEDREVEFAVRVILVKLSTSAATNLPLGSKHLSLVTYQIWARHNATPLSGQHVMVFELRRSDPDSVLNYFYSRFPTNVRRPSVDPDKSFLYISSKNSTELIHYSKDFLSHPNPEKTIIYCPRLTESNIRIPDLTDTKEISANIVNNLRRSSNRYKQHSKHSKRT
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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
1M38.7Very low53Low193 Ų19377 Ų7795%0.95137%0.366SS*.  0-66.80-156.5166176.100110.1E3 S4M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact O-N 3.25Å; M1-S4 VanDerWaalsContact O-CB 3.29Å; M1-S4 WeakPolarHBondContact O-CB 3.37Å; M1-S4 PolarHBondContact O-N 3.4Å
2Y45.3Very low53Low97 Ų9773.8 Ų73.838%0.3836%0.363SS..Hα-helixtrans-53.8-39.8178.8-60.1-49.2000115.5S4 I5 Q6 E78Y2-S4 PolarHBondContact O-N 3.25Å; Y2-I5 PolarHBondContact O-N 3.41Å; Y2-Q6 VanDerWaalsContact O-CG 3.29Å; Y2-Q6 WeakPolarHBondContact O-CG 3.28Å; Y2-Q6 PolarHBondContact O-N 3.08Å; Y2-E78 HydrophobicContact CE2-CG 4.29Å; Y2-E78 WeakPolarHBondContact CE2-OE1 3.49Å; Y2-E78 VanDerWaalsContact CZ-OE1 3.24Å; Y2-E78 PolarHBondContact OH-OE1 2.87Å
3E49.8Very low53.1Low103 Ų10368.8 Ų68.848%0.48134%0.338SS..Hα-helixtrans-61.7-22.5174-64.5-174.4150.800114.4M1 R7 F45M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact O-N 3.25Å; E3-R7 VanDerWaalsContact O-CG 3.24Å; E3-R7 WeakPolarHBondContact O-CG 3.24Å; E3-R7 PolarHBondContact O-N 3.49Å; E3-F45 HydrophobicContact CB-CE2 4.33Å; E3-F45 HydrophobicContact CG-CD2 4.37Å; E3-F45 HydrophobicContact CG-CE2 4.16Å
4S49.8Very low53.2Low61 Ų6167.1 Ų67.143%0.42734%0.336SS..Hα-helixtrans-75.4-51.9175.9-1520000110.3M1 Y2 Q6 R7 E8M1-S4 VanDerWaalsContact O-CB 3.29Å; M1-S4 WeakPolarHBondContact O-CB 3.37Å; M1-S4 PolarHBondContact O-N 3.4Å; Y2-S4 PolarHBondContact O-N 3.25Å; S4-Q6 VanDerWaalsContact C-N 3.25Å; S4-Q6 PolarHBondContact O-N 2.92Å; S4-R7 WeakPolarHBondContact O-CA 3.44Å; S4-R7 WeakPolarHBondContact O-CB 3.48Å; S4-R7 PolarHBondContact O-N 2.92Å; S4-E8 WeakPolarHBondContact CB-OE1 3.08Å; S4-E8 WeakPolarHBondContact O-CG 3.41Å; S4-E8 PolarHBondContact O-N 3.03Å; S4-E8 PolarHBondContact OG-OE1 2.91Å
5I52Low53Low62 Ų6267.3 Ų67.332%0.31835%0.346SS..Hα-helixtrans-56-43.4177.1-57.8172000110.1Y2 R7 E8 E9Y2-I5 PolarHBondContact O-N 3.41Å; I5-R7 VanDerWaalsContact C-N 3.35Å; I5-R7 PolarHBondContact O-N 2.7Å; I5-E8 PolarHBondContact O-N 3.31Å; I5-E9 PolarHBondContact O-N 3.3Å
6Q56.7Low52.7Low7 Ų769.4 Ų69.43%0.03336%0.357CS..Hα-helixtrans-60.3-38.9174.6-72.3164.111.800113.3Y2 S4 L10 F45 S73 P74 Y76Y2-Q6 VanDerWaalsContact O-CG 3.29Å; Y2-Q6 WeakPolarHBondContact O-CG 3.28Å; Y2-Q6 PolarHBondContact O-N 3.08Å; S4-Q6 VanDerWaalsContact C-N 3.25Å; S4-Q6 PolarHBondContact O-N 2.92Å; Q6-L10 WeakPolarHBondContact O-CB 3.26Å; Q6-L10 PolarHBondContact O-N 3.3Å; Q6-L10 VanDerWaalsContact O-N 3.12Å; Q6-F45 HydrophobicContact CB-CE1 4.05Å; Q6-F45 HydrophobicContact CB-CZ 4.03Å; Q6-F45 HydrophobicContact CG-CE1 4.46Å; Q6-F45 VanDerWaalsContact OE1-CZ 3.24Å; Q6-S73 PolarHBondContact NE2-O 2.68Å; Q6-P74 PolarHBondContact NE2-O 3.32Å; Q6-Y76 HydrophobicContact CG-CD1 3.84Å; Q6-Y76 PolarHBondContact NE2-O 2.94Å
7R58.3Low52.8Low65 Ų6568.4 Ų68.425%0.24535%0.349CS..Hα-helixtrans-73-40.5177.3-75.4171.8-171.1-166.11.3111.7E3 S4 I5 L10 F11 D41E3-R7 VanDerWaalsContact O-CG 3.24Å; E3-R7 WeakPolarHBondContact O-CG 3.24Å; E3-R7 PolarHBondContact O-N 3.49Å; S4-R7 WeakPolarHBondContact O-CA 3.44Å; S4-R7 WeakPolarHBondContact O-CB 3.48Å; S4-R7 PolarHBondContact O-N 2.92Å; I5-R7 VanDerWaalsContact C-N 3.35Å; I5-R7 PolarHBondContact O-N 2.7Å; R7-L10 PolarHBondContact O-N 3.35Å; R7-F11 WeakPolarHBondContact O-CB 3.21Å; R7-F11 PolarHBondContact O-N 3.49Å; R7-D41 IonicContact CZ-OD1 3.29Å; R7-D41 PolarHBondContact NH1-O 2.64Å; R7-D41 IonicContact NH1-OD1 2.76Å; R7-D41 PolarHBondContact NH1-OD1 3.05Å; R7-D41 PolarHBondContact NH2-O 3.25Å; R7-D41 VanDerWaalsContact NH2-O 3.09Å
8E55.9Low52.6Low113 Ų11368.1 Ų68.153%0.52835%0.353SS..Hα-helixtrans-65.5-43.4178.2-72155-13600111.4S4 I5 F11 A12S4-E8 WeakPolarHBondContact CB-OE1 3.08Å; S4-E8 WeakPolarHBondContact O-CG 3.41Å; S4-E8 PolarHBondContact O-N 3.03Å; S4-E8 PolarHBondContact OG-OE1 2.91Å; I5-E8 PolarHBondContact O-N 3.31Å; E8-F11 PolarHBondContact O-N 2.88Å; E8-A12 WeakPolarHBondContact O-CB 3.34Å; E8-A12 PolarHBondContact O-N 3.25Å
9E58.7Low52.7Low38 Ų3872.9 Ų72.918%0.17838%0.379CS..Hα-helixtrans-64-45171.5-82.2-165.4-151.500112.8I5 F11 A12 I13 Y76 C115 M116I5-E9 PolarHBondContact O-N 3.3Å; E9-F11 VanDerWaalsContact C-N 3.27Å; E9-F11 PolarHBondContact O-N 3.39Å; E9-A12 PolarHBondContact O-N 3.17Å; E9-I13 WeakPolarHBondContact O-CG1 3.47Å; E9-I13 PolarHBondContact O-N 2.77Å; E9-Y76 PolarHBondContact OE1-OH 3.41Å; E9-Y76 PolarHBondContact OE2-OH 3.4Å; E9-C115 WeakPolarHBondContact OE1-CB 3.09Å; E9-C115 WeakPolarHBondContact OE2-CA 3.27Å; E9-M116 PolarHBondContact OE2-N 2.99Å
10L60.4Low53Low19 Ų1971.1 Ų71.110%0.09937%0.37CS..Hα-helixtrans-62.6-39.1178-133.285.4000111Q6 R7 I13 C14 V24 L40 V47 V49 M116Q6-L10 WeakPolarHBondContact O-CB 3.26Å; Q6-L10 PolarHBondContact O-N 3.3Å; Q6-L10 VanDerWaalsContact O-N 3.12Å; R7-L10 PolarHBondContact O-N 3.35Å; L10-I13 PolarHBondContact O-N 3.16Å; L10-C14 WeakPolarHBondContact O-CB 3.42Å; L10-C14 PolarHBondContact O-N 2.75Å; L10-C14 PolarHBondContact O-SG 2.74Å; L10-V24 HydrophobicContact CD2-CG1 4.32Å; L10-L40 HydrophobicContact CD2-CD2 4.19Å; L10-V47 HydrophobicContact CD2-CG1 4.26Å; L10-V49 HydrophobicContact CD1-CG2 3.9Å; L10-M116 HydrophobicContact CD1-CE 3.91Å; L10-M116 HydrophobicContact CD1-SD 4.32Å
11F57.7Low53.5Low89 Ų8969.7 Ų69.739%0.3936%0.362SS..Hα-helixtrans-62.8-50.8175.9174.9-109.3000110.8R7 E8 E9 I13 C14 S15 V37 L40R7-F11 WeakPolarHBondContact O-CB 3.21Å; R7-F11 PolarHBondContact O-N 3.49Å; E8-F11 PolarHBondContact O-N 2.88Å; E9-F11 VanDerWaalsContact C-N 3.27Å; E9-F11 PolarHBondContact O-N 3.39Å; F11-I13 VanDerWaalsContact C-N 3.32Å; F11-I13 PolarHBondContact O-N 2.71Å; F11-C14 PolarHBondContact O-N 3.08Å; F11-S15 WeakPolarHBondContact O-CB 3.37Å; F11-S15 PolarHBondContact O-N 2.65Å; F11-S15 PolarHBondContact O-OG 2.98Å; F11-S15 VanDerWaalsContact O-OG 3.1Å; F11-V37 HydrophobicContact CD2-CG1 3.9Å; F11-V37 HydrophobicContact CE2-CB 4.34Å; F11-V37 HydrophobicContact CE2-CG1 3.46Å; F11-V37 VanDerWaalsContact CE2-CG1 3.46Å; F11-V37 HydrophobicContact CE2-CG2 3.86Å; F11-V37 HydrophobicContact CZ-CG1 4.36Å; F11-L40 HydrophobicContact CB-CD1 4.44Å; F11-L40 HydrophobicContact CD2-CD1 4.38Å
12A52.3Low54.8Low39 Ų3963.9 Ų63.932%0.32234%0.338SS..Hα-helixtrans-56.1-44176.600000112.2E8 E9 S15 I16E8-A12 WeakPolarHBondContact O-CB 3.34Å; E8-A12 PolarHBondContact O-N 3.25Å; E9-A12 PolarHBondContact O-N 3.17Å; A12-S15 PolarHBondContact O-N 3.34Å; A12-I16 HydrophobicContact CB-CD1 4.45Å; A12-I16 WeakPolarHBondContact O-CB 3.29Å; A12-I16 WeakPolarHBondContact O-CD1 3.45Å; A12-I16 WeakPolarHBondContact O-CG1 3.45Å; A12-I16 PolarHBondContact O-N 2.86Å
13I54.6Low55.9Low9 Ų961 Ų615%0.04633%0.332CS..Hα-helixtrans-70.2-40.4179.4-66.5167.1000111.7E9 L10 F11 S15 F17 I21 M116 K117 I120E9-I13 WeakPolarHBondContact O-CG1 3.47Å; E9-I13 PolarHBondContact O-N 2.77Å; L10-I13 PolarHBondContact O-N 3.16Å; F11-I13 VanDerWaalsContact C-N 3.32Å; F11-I13 PolarHBondContact O-N 2.71Å; I13-S15 VanDerWaalsContact C-N 3.28Å; I13-S15 PolarHBondContact O-N 3.03Å; I13-F17 WeakPolarHBondContact O-CA 3.47Å; I13-F17 PolarHBondContact O-N 3.36Å; I13-I21 HydrophobicContact CG2-CD1 4.37Å; I13-M116 HydrophobicContact CD1-CB 3.47Å; I13-M116 VanDerWaalsContact CD1-CB 3.47Å; I13-M116 HydrophobicContact CD1-CG 3.85Å; I13-M116 HydrophobicContact CD1-SD 4.22Å; I13-K117 HydrophobicContact CD1-CB 4.46Å; I13-K117 HydrophobicContact CG1-CB 4.42Å; I13-I120 HydrophobicContact CD1-CD1 4.4Å; I13-I120 HydrophobicContact CG2-CD1 3.89Å
14C54.9Low56.5Low45 Ų4557.7 Ų57.730%0.30432%0.318SS..Hα-helixtrans-61.4-35.8172.7-68.40000112.5L10 F11 I21L10-C14 WeakPolarHBondContact O-CB 3.42Å; L10-C14 PolarHBondContact O-N 2.75Å; L10-C14 PolarHBondContact O-SG 2.74Å; F11-C14 PolarHBondContact O-N 3.08Å; C14-I21 HydrophobicContact CB-CD1 4.19Å; C14-I21 VanDerWaalsContact SG-CD1 3.52Å
15S49.8Very low57Low70 Ų7058.7 Ų58.749%0.4932%0.319SS..Hα-helixtrans-80.7-35.9-179.3-64.90000113.9F11 A12 I13F11-S15 WeakPolarHBondContact O-CB 3.37Å; F11-S15 PolarHBondContact O-N 2.65Å; F11-S15 PolarHBondContact O-OG 2.98Å; F11-S15 VanDerWaalsContact O-OG 3.1Å; A12-S15 PolarHBondContact O-N 3.34Å; I13-S15 VanDerWaalsContact C-N 3.28Å; I13-S15 PolarHBondContact O-N 3.03Å
16I48.6Very low57.3Low100 Ų10057 Ų5751%0.51332%0.317SS..Hα-helixtrans-84.4-34-178.9-62.6165.1000111.4A12A12-I16 HydrophobicContact CB-CD1 4.45Å; A12-I16 WeakPolarHBondContact O-CB 3.29Å; A12-I16 WeakPolarHBondContact O-CD1 3.45Å; A12-I16 WeakPolarHBondContact O-CG1 3.45Å; A12-I16 PolarHBondContact O-N 2.86Å
17F53.9Low57.2Low52 Ų5258.2 Ų58.223%0.22832%0.324CS..  trans-133.249.7-168.8-64.3-56.1000114.5I13 D19 L20I13-F17 WeakPolarHBondContact O-CA 3.47Å; I13-F17 PolarHBondContact O-N 3.36Å; F17-D19 VanDerWaalsContact C-N 3.31Å; F17-D19 PolarHBondContact O-N 3.34Å; F17-L20 HydrophobicContact CB-CB 4.21Å; F17-L20 HydrophobicContact CB-CD1 3.66Å; F17-L20 HydrophobicContact CD1-CD1 3.52Å; F17-L20 HydrophobicContact CE1-CD1 4.35Å; F17-L20 HydrophobicContact CG-CD1 3.76Å; F17-L20 PolarHBondContact O-N 2.86Å; F17-L20 VanDerWaalsContact O-N 3.1Å
18P49.5Very low56.5Low64 Ų6463.5 Ų63.542%0.41635%0.348SS..G310 helixtrans-57.2-39.7-175.422.9-33.8000113.4L20 I21P18-L20 PolarHBondContact O-N 3.34Å; P18-I21 PolarHBondContact O-N 3.23Å
19D54.8Low56Low160 Ų16065.6 Ų65.686%0.85636%0.356SS*.G310 helixtrans-69-17.3-179-70.9-27.7000114.6F17F17-D19 VanDerWaalsContact C-N 3.31Å; F17-D19 PolarHBondContact O-N 3.34Å
20L58.8Low54.9Low36 Ų3671 Ų7119%0.18839%0.385CS..G310 helixtrans-83.8-20.7179.1-81.3137.5000112.1F17 P18 L51 K52 I53F17-L20 HydrophobicContact CB-CB 4.21Å; F17-L20 HydrophobicContact CB-CD1 3.66Å; F17-L20 HydrophobicContact CD1-CD1 3.52Å; F17-L20 HydrophobicContact CE1-CD1 4.35Å; F17-L20 HydrophobicContact CG-CD1 3.76Å; F17-L20 PolarHBondContact O-N 2.86Å; F17-L20 VanDerWaalsContact O-N 3.1Å; P18-L20 PolarHBondContact O-N 3.34Å; L20-L51 CarbonylContact O-C 3.56Å; L20-L51 VanDerWaalsContact O-CA 3.25Å; L20-L51 WeakPolarHBondContact O-CA 3.33Å; L20-K52 PolarHBondContact O-N 3.35Å; L20-I53 HydrophobicContact CD2-CB 4.13Å; L20-I53 HydrophobicContact CD2-CG1 3.81Å; L20-I53 HydrophobicContact CD2-CG2 4.2Å
21I63.5Low53.9Low41 Ų4178.7 Ų78.721%0.2142%0.42CS..EExtended strand (participates in β ladder)trans-86.4118.3-175.4-54-179.8000110.6I13 C14 P18 V24 V49 L51I13-I21 HydrophobicContact CG2-CD1 4.37Å; C14-I21 HydrophobicContact CB-CD1 4.19Å; C14-I21 VanDerWaalsContact SG-CD1 3.52Å; P18-I21 PolarHBondContact O-N 3.23Å; I21-V24 HydrophobicContact CG2-CG2 3.73Å; I21-V49 HydrophobicContact CG2-CG1 4.35Å; I21-L51 HydrophobicContact CB-CD2 4.38Å; I21-L51 HydrophobicContact CG1-CD2 3.77Å
22T66.2Low53.1Low71 Ų7178.4 Ų78.444%0.43642%0.422SS..EExtended strand (participates in β ladder)trans-102-25.2178.3510000115S50 K52T22-S50 PolarHBondContact N-O 2.88Å; T22-S50 WeakPolarHBondContact OG1-CB 3.49Å; T22-S50 PolarHBondContact OG1-O 3.48Å; T22-K52 HydrophobicContact CG2-CB 3.38Å; T22-K52 HydrophobicContact CG2-CD 3.82Å; T22-K52 HydrophobicContact CG2-CG 4.25Å
23S67.7Low52.3Low37 Ų3780.5 Ų80.526%0.25943%0.432SS..EExtended strand (participates in β ladder)trans-163.2150.9167.365.30000111.8V49 S50S23-V49 CarbonylContact O-C 3.47Å; S23-V49 WeakPolarHBondContact O-CA 3.37Å; S23-S50 PolarHBondContact N-O 3.48Å; S23-S50 PolarHBondContact O-N 3.42Å; S23-S50 WeakPolarHBondContact OG-CB 3.42Å; S23-S50 PolarHBondContact OG-OG 3.48Å
24V61.9Low51.4Low33 Ų3386 Ų8620%0.247%0.466CS..EExtended strand (participates in β ladder)trans-125.8100169.5-175.30000108.2L10 I21 I27 V47 Q48 V49L10-V24 HydrophobicContact CD2-CG1 4.32Å; I21-V24 HydrophobicContact CG2-CG2 3.73Å; V24-I27 HydrophobicContact CB-CD1 4.3Å; V24-I27 HydrophobicContact CG1-CD1 3.74Å; V24-I27 HydrophobicContact CG1-CG1 4.12Å; V24-V47 HydrophobicContact CG1-CG1 3.69Å; V24-Q48 CarbonylContact C-O 3.59Å; V24-Q48 WeakPolarHBondContact CA-O 3.26Å; V24-V49 HydrophobicContact CG1-CG2 4.49Å; V24-V49 HydrophobicContact CG2-CG1 4.42Å
25N61.8Low50.5Low83 Ų8391 Ų9144%0.44449%0.489SS..EExtended strand (participates in β ladder)trans-81.9127.4174.2-64.9-26.4000108.8Q48N25-Q48 HydrophobicContact CB-CB 4.26Å; N25-Q48 PolarHBondContact N-O 3.47Å; N25-Q48 PolarHBondContact ND2-OE1 2.83Å; N25-Q48 PolarHBondContact O-N 2.76Å
26G58Low50Low27 Ų2790.4 Ų90.428%0.27849%0.485SS..THydrogen-bonded Turntrans131.4-20.7-175.500000113.3N44G26-N44 PolarHBondContact O-N 3.27Å
27I53.3Low49.5Very low32 Ų3289.4 Ų89.416%0.16448%0.483CS..  trans-96.1129.9177.1-56.7176.5000109.6V24 K29 I32 L40 A43V24-I27 HydrophobicContact CB-CD1 4.3Å; V24-I27 HydrophobicContact CG1-CD1 3.74Å; V24-I27 HydrophobicContact CG1-CG1 4.12Å; I27-K29 VanDerWaalsContact C-N 3.31Å; I27-K29 PolarHBondContact O-N 3.37Å; I27-I32 HydrophobicContact CG2-CD1 4.3Å; I27-L40 HydrophobicContact CD1-CD2 3.97Å; I27-A43 HydrophobicContact CG1-CB 4.13Å
28K44.2Very low48.9Very low176 Ų17698 Ų9877%0.76551%0.514SS*.SBendtrans-76-1-169.2-84.9-178.6177.4172.10116.4
29K45.9Very low48.8Very low157 Ų15797.8 Ų97.868%0.68351%0.51SS*.  trans-134.2127.7173.6-76.9-174.2176-1790110.1I27I27-K29 VanDerWaalsContact C-N 3.31Å; I27-K29 PolarHBondContact O-N 3.37Å
30L35.5Very low48.3Very low151 Ų15191.6 Ų91.679%0.79148%0.476SS*.SBendtrans-96.414.9-163.8-127.6148.9000114.4
31H38.7Very low47.7Very low181 Ų18195.1 Ų95.184%0.83850%0.495SS*.  trans-139.5106.5171.6-80.3-48.6000109.4
32I41.2Very low47Very low83 Ų8399.8 Ų99.843%0.42651%0.514SS..  trans-113.7110170-66177.8000105.6I27I27-I32 HydrophobicContact CG2-CD1 4.3Å
33P36.1Very low46.4Very low82 Ų8297 Ų9753%0.53250%0.498SS..  trans-64.9152.5162.6-11.327.2000109.1D35 S36P33-D35 PolarHBondContact O-N 3.31Å; P33-S36 PolarHBondContact O-N 2.89Å; P33-S36 VanDerWaalsContact O-N 3.1Å
34V35Very low45.9Very low125 Ų12599.9 Ų99.976%0.75851%0.511SS*.THydrogen-bonded Turntrans-53.3-26.1-170.2178.20000113.6S36V34-S36 PolarHBondContact O-N 2.8Å
35D35.7Very low45.8Very low149 Ų149100.5 Ų100.580%0.79751%0.511SS*.THydrogen-bonded Turntrans-843.6-176.3-46.3-62.9000115.6P33P33-D35 PolarHBondContact O-N 3.31Å
36S39.8Very low45.8Very low58 Ų58100.7 Ų100.741%0.40652%0.517SS..  trans-109.652.3-168.2-63.60000115.6P33 V34 R38P33-S36 PolarHBondContact O-N 2.89Å; P33-S36 VanDerWaalsContact O-N 3.1Å; V34-S36 PolarHBondContact O-N 2.8Å; S36-R38 PolarHBondContact O-N 2.86Å; S36-R38 VanDerWaalsContact O-N 3.11Å
37V38.2Very low46.2Very low79 Ų7999.6 Ų99.648%0.47951%0.505SS..G310 helixtrans-56.7-26.1-1771760000114.9F11 D39F11-V37 HydrophobicContact CD2-CG1 3.9Å; F11-V37 HydrophobicContact CE2-CB 4.34Å; F11-V37 HydrophobicContact CE2-CG1 3.46Å; F11-V37 VanDerWaalsContact CE2-CG1 3.46Å; F11-V37 HydrophobicContact CE2-CG2 3.86Å; F11-V37 HydrophobicContact CZ-CG1 4.36Å; V37-D39 VanDerWaalsContact C-N 3.34Å; V37-D39 PolarHBondContact O-N 2.9Å
38R42Very low47.1Very low233 Ų233101.3 Ų101.388%0.87951%0.512SS*.G310 helixtrans-74.5-4.2-168-68.6-174.9177.5-179.9-0.2117S36S36-R38 PolarHBondContact O-N 2.86Å; S36-R38 VanDerWaalsContact O-N 3.11Å
39D45.8Very low48.2Very low59 Ų5993.1 Ų93.132%0.31648%0.477SS..G310 helixtrans-96.8-2.9-178.6-100.2-25.1000114.7V37 D41 K42V37-D39 VanDerWaalsContact C-N 3.34Å; V37-D39 PolarHBondContact O-N 2.9Å; D39-D41 PolarHBondContact O-N 3.12Å; D39-K42 PolarHBondContact O-N 3.23Å; D39-K42 IonicContact OD1-NZ 2.64Å; D39-K42 PolarHBondContact OD1-NZ 3.26Å
40L45.8Very low49.6Very low30 Ų3085.9 Ų85.916%0.15745%0.446CS..G310 helixtrans-62.4-25.3174.9-83.4163.3000113.4L10 F11 I27 K42 A43L10-L40 HydrophobicContact CD2-CD2 4.19Å; F11-L40 HydrophobicContact CB-CD1 4.44Å; F11-L40 HydrophobicContact CD2-CD1 4.38Å; I27-L40 HydrophobicContact CD1-CD2 3.97Å; L40-K42 PolarHBondContact O-N 3.46Å; L40-A43 PolarHBondContact O-N 3.04Å
41D45.9Very low51.3Low110 Ų11078.8 Ų78.859%0.58841%0.409SS*.G310 helixtrans-64.4-13-178.6-83.1-35.7000115.1R7 D39R7-D41 IonicContact CZ-OD1 3.29Å; R7-D41 PolarHBondContact NH1-O 2.64Å; R7-D41 IonicContact NH1-OD1 2.76Å; R7-D41 PolarHBondContact NH1-OD1 3.05Å; R7-D41 PolarHBondContact NH2-O 3.25Å; R7-D41 VanDerWaalsContact NH2-O 3.09Å; D39-D41 PolarHBondContact O-N 3.12Å
42K47.9Very low53Low140 Ų14075 Ų7561%0.60939%0.39SS*.G310 helixtrans-109.616.2-176.8-57.8172.5-163.5140.20113.4D39 L40D39-K42 PolarHBondContact O-N 3.23Å; D39-K42 IonicContact OD1-NZ 2.64Å; D39-K42 PolarHBondContact OD1-NZ 3.26Å; L40-K42 PolarHBondContact O-N 3.46Å
43A54.2Low54.2Low12 Ų1271 Ų7110%0.09937%0.37CS..PPolyproline II helixtrans-68.7131.7176.700000111.7I27 L40 V47I27-A43 HydrophobicContact CG1-CB 4.13Å; L40-A43 PolarHBondContact O-N 3.04Å; A43-V47 HydrophobicContact CB-CG2 4.44Å
44N57.7Low55.5Low98 Ų9868.7 Ų68.752%0.52436%0.355SS..PPolyproline II helixtrans-90.1121.2171.5-839.4000109.5G26G26-N44 PolarHBondContact O-N 3.27Å
45F58.9Low56.7Low45 Ų4563 Ų6320%0.19732%0.321CS..SBendtrans-79.3152.8172.1-69.4-83.1000112.2E3 Q6 V47 P74E3-F45 HydrophobicContact CB-CE2 4.33Å; E3-F45 HydrophobicContact CG-CD2 4.37Å; E3-F45 HydrophobicContact CG-CE2 4.16Å; Q6-F45 HydrophobicContact CB-CE1 4.05Å; Q6-F45 HydrophobicContact CB-CZ 4.03Å; Q6-F45 HydrophobicContact CG-CE1 4.46Å; Q6-F45 VanDerWaalsContact OE1-CZ 3.24Å; F45-V47 HydrophobicContact CD1-CB 4.26Å; F45-V47 HydrophobicContact CD1-CG2 3.65Å; F45-V47 HydrophobicContact CE1-CB 4.31Å; F45-V47 HydrophobicContact CE1-CG2 3.68Å; F45-V47 HydrophobicContact CG-CG2 4.29Å; F45-V47 HydrophobicContact CZ-CG2 4.37Å; F45-P74 HydrophobicContact CB-CB 3.89Å; F45-P74 HydrophobicContact CB-CG 4.43Å; F45-P74 HydrophobicContact CG-CB 4.49Å
46P61.2Low57Low88 Ų8862.5 Ų62.557%0.57132%0.317SS*.SBendcis-71.5139.8-230.1-35.7000113C72P46-C72 VanDerWaalsContact CA-O 3.26Å; P46-C72 WeakPolarHBondContact CA-O 3.35Å; P46-C72 WeakPolarHBondContact CB-O 3.22Å
47V66.8Low57Low4 Ų462.3 Ų62.32%0.02431%0.311CS..EExtended strand (participates in β ladder)trans-91.5135.2177.9175.10000109.6L10 V24 A43 F45 V49 C72L10-V47 HydrophobicContact CD2-CG1 4.26Å; V24-V47 HydrophobicContact CG1-CG1 3.69Å; A43-V47 HydrophobicContact CB-CG2 4.44Å; F45-V47 HydrophobicContact CD1-CB 4.26Å; F45-V47 HydrophobicContact CD1-CG2 3.65Å; F45-V47 HydrophobicContact CE1-CB 4.31Å; F45-V47 HydrophobicContact CE1-CG2 3.68Å; F45-V47 HydrophobicContact CG-CG2 4.29Å; F45-V47 HydrophobicContact CZ-CG2 4.37Å; V47-V49 HydrophobicContact CG1-CG2 4.14Å; V47-C72 PolarHBondContact N-O 3.2Å; V47-C72 PolarHBondContact O-N 3.37Å
48Q72Confident56.8Low67 Ų6769.4 Ų69.431%0.31333%0.329SS..EExtended strand (participates in β ladder)trans-116.9119.8174.6-176.5-170.827.400110.5V24 N25 L70V24-Q48 CarbonylContact C-O 3.59Å; V24-Q48 WeakPolarHBondContact CA-O 3.26Å; N25-Q48 HydrophobicContact CB-CB 4.26Å; N25-Q48 PolarHBondContact N-O 3.47Å; N25-Q48 PolarHBondContact ND2-OE1 2.83Å; N25-Q48 PolarHBondContact O-N 2.76Å; Q48-L70 CarbonylContact C-O 3.4Å; Q48-L70 VanDerWaalsContact CA-O 3.29Å; Q48-L70 WeakPolarHBondContact CA-O 3.36Å; Q48-L70 VanDerWaalsContact CG-O 3.28Å; Q48-L70 WeakPolarHBondContact CG-O 3.35Å
49V69Low56.6Low5 Ų564.8 Ų64.83%0.0333%0.329CS..EExtended strand (participates in β ladder)trans-107.2128.4-179.2-173.40000109.3L10 I21 S23 V24 V47 L51 H69 L70 M116L10-V49 HydrophobicContact CD1-CG2 3.9Å; I21-V49 HydrophobicContact CG2-CG1 4.35Å; S23-V49 CarbonylContact O-C 3.47Å; S23-V49 WeakPolarHBondContact O-CA 3.37Å; V24-V49 HydrophobicContact CG1-CG2 4.49Å; V24-V49 HydrophobicContact CG2-CG1 4.42Å; V47-V49 HydrophobicContact CG1-CG2 4.14Å; V49-L51 HydrophobicContact CG1-CD2 3.56Å; V49-L51 HydrophobicContact CG1-CG 3.97Å; V49-H69 CarbonylContact O-C 3.59Å; V49-L70 PolarHBondContact N-O 3.19Å; V49-L70 PolarHBondContact O-N 3.36Å; V49-M116 HydrophobicContact CB-SD 4.48Å; V49-M116 HydrophobicContact CG2-SD 4.19Å
50S74.2Confident56.4Low5 Ų566.1 Ų66.14%0.03534%0.343CS..EExtended strand (participates in β ladder)trans-106.2117.7173.9-53.40000110T22 S23 H69T22-S50 PolarHBondContact N-O 2.88Å; T22-S50 WeakPolarHBondContact OG1-CB 3.49Å; T22-S50 PolarHBondContact OG1-O 3.48Å; S23-S50 PolarHBondContact N-O 3.48Å; S23-S50 PolarHBondContact O-N 3.42Å; S23-S50 WeakPolarHBondContact OG-CB 3.42Å; S23-S50 PolarHBondContact OG-OG 3.48Å; S50-H69 PolarHBondContact OG-ND1 3.36Å
51L71.2Confident56.2Low2 Ų267.6 Ų67.61%0.0137%0.366CS..EExtended strand (participates in β ladder)trans-110.8130.7-175.4-58.3177.8000110.7L20 I21 V49 I67 I68 L70 I120L20-L51 CarbonylContact O-C 3.56Å; L20-L51 VanDerWaalsContact O-CA 3.25Å; L20-L51 WeakPolarHBondContact O-CA 3.33Å; I21-L51 HydrophobicContact CB-CD2 4.38Å; I21-L51 HydrophobicContact CG1-CD2 3.77Å; V49-L51 HydrophobicContact CG1-CD2 3.56Å; V49-L51 HydrophobicContact CG1-CG 3.97Å; L51-I67 CarbonylContact O-C 3.49Å; L51-I67 WeakPolarHBondContact O-CA 3.47Å; L51-I68 PolarHBondContact N-O 2.8Å; L51-I68 PolarHBondContact O-N 2.87Å; L51-L70 HydrophobicContact CD1-CD1 3.64Å; L51-L70 HydrophobicContact CD1-CG 4.33Å; L51-I120 HydrophobicContact CD1-CD1 3.48Å; L51-I120 VanDerWaalsContact CD1-CD1 3.48Å; L51-I120 HydrophobicContact CD1-CG1 3.52Å
52K73.7Confident56.3Low100 Ų10067.9 Ų67.944%0.43537%0.367SS..EExtended strand (participates in β ladder)trans-110.294.7-179.2177.9-169.2172.6-169.70109.9L20 T22 V65 I67L20-K52 PolarHBondContact O-N 3.35Å; T22-K52 HydrophobicContact CG2-CB 3.38Å; T22-K52 HydrophobicContact CG2-CD 3.82Å; T22-K52 HydrophobicContact CG2-CG 4.25Å; K52-V65 HydrophobicContact CD-CG1 4.41Å; K52-V65 HydrophobicContact CG-CG1 3.64Å; K52-I67 HydrophobicContact CB-CG1 4.31Å; K52-I67 HydrophobicContact CG-CG1 4.26Å
53I67.6Low56.6Low1 Ų166.7 Ų66.71%0.00536%0.362CS..EExtended strand (participates in β ladder)trans-89.2127.7-179.1-45.1-177.3000108.3L20 V65 V66 I68 I120 S123 H124 L127L20-I53 HydrophobicContact CD2-CB 4.13Å; L20-I53 HydrophobicContact CD2-CG1 3.81Å; L20-I53 HydrophobicContact CD2-CG2 4.2Å; I53-V65 WeakPolarHBondContact O-CA 3.49Å; I53-V66 PolarHBondContact N-O 2.99Å; I53-V66 PolarHBondContact O-N 3.43Å; I53-I68 HydrophobicContact CD1-CD1 3.79Å; I53-I68 HydrophobicContact CD1-CG1 4.41Å; I53-I120 HydrophobicContact CD1-CG2 4.2Å; I53-S123 VanDerWaalsContact CD1-CB 3.42Å; I53-H124 HydrophobicContact CG2-CB 3.95Å; I53-L127 HydrophobicContact CB-CD1 3.89Å; I53-L127 HydrophobicContact CG2-CD1 3.75Å
54S62.9Low57.1Low32 Ų3268.6 Ų68.622%0.22437%0.367CS..EExtended strand (participates in β ladder)trans-133.3132.5179.871.10000111.8I56 K64S54-I56 PolarHBondContact O-N 3.34Å; S54-K64 CarbonylContact C-O 3.6Å; S54-K64 VanDerWaalsContact CA-O 3.24Å; S54-K64 WeakPolarHBondContact CA-O 3.39Å
55S59.5Low57.4Low7 Ų765.2 Ų65.25%0.04935%0.35CS..  trans-73.5112.9174.563.70000110.2I57 K64S55-I57 PolarHBondContact O-N 3.37Å; S55-K64 PolarHBondContact N-O 2.9Å
56I43.7Very low58Low138 Ų13863.1 Ų63.171%0.70834%0.341SS*.  trans-82.892.7173.6-58.1178.9000107.7S54S54-I56 PolarHBondContact O-N 3.34Å
57I39.6Very low58.6Low54 Ų5461.5 Ų61.528%0.27733%0.327SS..  trans-127.2114.1176.5-54.3-179.6000109.6S55S55-I57 PolarHBondContact O-N 3.37Å
58R34Very low59.1Low228 Ų22861.5 Ų61.586%0.8633%0.327SS*.  trans-108.8144.3156.4-81-177.6171.9171.5-2.8106.3
59P37.4Very low59.4Low136 Ų13660 Ų6088%0.88332%0.32SS*.SBendcis-114.630.833.440.4-33.3000116.9
60S41.9Very low59.6Low86 Ų8659.9 Ų59.960%0.60132%0.319SS*.SBendtrans-109.94.7179.760.90000116.3L62S60-L62 PolarHBondContact O-N 2.87Å
61G41.6Very low59.5Low62 Ų6261.6 Ų61.664%0.63933%0.331SS*.  trans73.1-13.2167.200000117.9K63G61-K63 PolarHBondContact O-N 3.22Å
62L47.8Very low59.5Low116 Ų11662 Ų6261%0.60733%0.334SS*.  trans-95.685.8-172.7-71.3168.3000113.3S60 K64S60-L62 PolarHBondContact O-N 2.87Å; L62-K64 PolarHBondContact O-N 2.93Å; L62-K64 VanDerWaalsContact O-N 3.14Å
63K54.5Low59.3Low115 Ų11559.4 Ų59.450%0.533%0.328SS..  trans-62110.7169.6-69.3-170.1176.1-168.80111.2G61 R90G61-K63 PolarHBondContact O-N 3.22Å; K63-R90 PolarHBondContact O-NH1 3.17Å; K63-R90 PolarHBondContact O-NH2 3.02Å
64K64.4Low59.2Low51 Ų5162 Ų6222%0.22235%0.345CS..  trans-77.1141.5164-64.9-178.5179.4-177.80108.7S54 S55 L62 V91 L130S54-K64 CarbonylContact C-O 3.6Å; S54-K64 VanDerWaalsContact CA-O 3.24Å; S54-K64 WeakPolarHBondContact CA-O 3.39Å; S55-K64 PolarHBondContact N-O 2.9Å; L62-K64 PolarHBondContact O-N 2.93Å; L62-K64 VanDerWaalsContact O-N 3.14Å; K64-V91 HydrophobicContact CB-CG2 4.43Å; K64-L130 HydrophobicContact CD-CB 4.43Å; K64-L130 PolarHBondContact NZ-O 3.5Å
65V64.2Low59.3Low27 Ų2763.3 Ų63.316%0.16435%0.352CS..EExtended strand (participates in β ladder)trans-134.8138.3-176.8-174.70000109.5K52 I53 D88K52-V65 HydrophobicContact CD-CG1 4.41Å; K52-V65 HydrophobicContact CG-CG1 3.64Å; I53-V65 WeakPolarHBondContact O-CA 3.49Å; V65-D88 HydrophobicContact CB-CB 4.34Å; V65-D88 WeakPolarHBondContact O-CB 3.48Å; V65-D88 PolarHBondContact O-N 3.3Å
66V70.8Confident59.5Low1 Ų163.3 Ų63.31%0.00635%0.351CS..EExtended strand (participates in β ladder)trans-133.3134.5168.3177.60000108.9I53 I68 I85 V91 L99 L127I53-V66 PolarHBondContact N-O 2.99Å; I53-V66 PolarHBondContact O-N 3.43Å; V66-I68 HydrophobicContact CG1-CG1 4.12Å; V66-I85 HydrophobicContact CG1-CG2 3.31Å; V66-V91 HydrophobicContact CG2-CG2 4.06Å; V66-L99 HydrophobicContact CG1-CD2 4.42Å; V66-L127 HydrophobicContact CB-CD1 4Å; V66-L127 HydrophobicContact CB-CD2 4.28Å; V66-L127 HydrophobicContact CG2-CD1 4.07Å; V66-L127 HydrophobicContact CG2-CD2 3.45Å; V66-L127 VanDerWaalsContact CG2-CD2 3.45Å; V66-L127 HydrophobicContact CG2-CG 4.37Å
67I74.8Confident60Low54 Ų5458.1 Ų58.128%0.27733%0.326SS..EExtended strand (participates in β ladder)trans-100.4122.5173.5-58.5173.9000108L51 K52 K86L51-I67 CarbonylContact O-C 3.49Å; L51-I67 WeakPolarHBondContact O-CA 3.47Å; K52-I67 HydrophobicContact CB-CG1 4.31Å; K52-I67 HydrophobicContact CG-CG1 4.26Å; I67-K86 HydrophobicContact CB-CB 4.4Å; I67-K86 PolarHBondContact N-O 2.93Å; I67-K86 PolarHBondContact O-N 3.25Å
68I76.7Confident61Low4 Ų461.8 Ų61.82%0.02134%0.342CS..EExtended strand (participates in β ladder)trans-109114.3175.5-54.8-173.8000107.6L51 I53 V66 L70 F83 L103 S123L51-I68 PolarHBondContact N-O 2.8Å; L51-I68 PolarHBondContact O-N 2.87Å; I53-I68 HydrophobicContact CD1-CD1 3.79Å; I53-I68 HydrophobicContact CD1-CG1 4.41Å; V66-I68 HydrophobicContact CG1-CG1 4.12Å; I68-L70 HydrophobicContact CG2-CD2 3.53Å; I68-L70 HydrophobicContact CG2-CG 4.08Å; I68-F83 HydrophobicContact CG2-CB 4.4Å; I68-L103 HydrophobicContact CD1-CD1 4.09Å; I68-S123 VanDerWaalsContact CD1-CB 3.49Å; I68-S123 WeakPolarHBondContact CD1-OG 3.5Å
69H77.1Confident62.4Low35 Ų3553.4 Ų53.416%0.16232%0.317CS..EExtended strand (participates in β ladder)trans-87.7110.6170.3-58.1-75.2000108.1V49 S50 F83 R84V49-H69 CarbonylContact O-C 3.59Å; S50-H69 PolarHBondContact OG-ND1 3.36Å; H69-F83 CarbonylContact O-C 3.46Å; H69-F83 VanDerWaalsContact O-CA 3.26Å; H69-F83 WeakPolarHBondContact O-CA 3.35Å; H69-R84 HydrophobicContact CB-CB 4.38Å; H69-R84 PolarHBondContact N-O 2.62Å; H69-R84 PolarHBondContact O-N 3.28Å
70L75.1Confident63.6Low4 Ų451.3 Ų51.32%0.02130%0.297CS..EExtended strand (participates in β ladder)trans-95.5140.4172.5-58.2-176.3000109.4Q48 V49 L51 I68 L81 F83 M116Q48-L70 CarbonylContact C-O 3.4Å; Q48-L70 VanDerWaalsContact CA-O 3.29Å; Q48-L70 WeakPolarHBondContact CA-O 3.36Å; Q48-L70 VanDerWaalsContact CG-O 3.28Å; Q48-L70 WeakPolarHBondContact CG-O 3.35Å; V49-L70 PolarHBondContact N-O 3.19Å; V49-L70 PolarHBondContact O-N 3.36Å; L51-L70 HydrophobicContact CD1-CD1 3.64Å; L51-L70 HydrophobicContact CD1-CG 4.33Å; I68-L70 HydrophobicContact CG2-CD2 3.53Å; I68-L70 HydrophobicContact CG2-CG 4.08Å; L70-L81 HydrophobicContact CB-CD2 3.93Å; L70-L81 HydrophobicContact CD2-CD2 4.17Å; L70-L81 HydrophobicContact CG-CD2 4.46Å; L70-F83 HydrophobicContact CD2-CB 3.53Å; L70-M116 HydrophobicContact CD1-CG 3.46Å; L70-M116 VanDerWaalsContact CD1-CG 3.46Å; L70-M116 HydrophobicContact CD1-SD 3.93Å
71S72Confident64.9Low41 Ų4147.7 Ų47.729%0.28727%0.271SS..EExtended strand (participates in β ladder)trans-134.1121.7177.643.40000110.4N82S71-N82 PolarHBondContact N-O 2.95Å; S71-N82 PolarHBondContact O-N 3.29Å; S71-N82 VanDerWaalsContact OG-CB 3.29Å; S71-N82 WeakPolarHBondContact OG-CB 3.45Å; S71-N82 PolarHBondContact OG-O 3.41Å
72C69.9Low66.3Low9 Ų950.1 Ų50.16%0.06127%0.27CS..EExtended strand (participates in β ladder)trans-109.2118.5-171.6-173.60000109.8P46 V47 Y76 M116P46-C72 VanDerWaalsContact CA-O 3.26Å; P46-C72 WeakPolarHBondContact CA-O 3.35Å; P46-C72 WeakPolarHBondContact CB-O 3.22Å; V47-C72 PolarHBondContact N-O 3.2Å; V47-C72 PolarHBondContact O-N 3.37Å; C72-Y76 WeakPolarHBondContact SG-CB 3.3Å; C72-Y76 VanDerWaalsContact SG-CG 3.54Å; C72-M116 HydrophobicContact CB-CE 4.47Å
73S69.6Low67.7Low46 Ų4645.7 Ų45.732%0.32225%0.246SC..  trans-68147.4171.9-176.20000109.9Q6 T75 Y76 T79Q6-S73 PolarHBondContact NE2-O 2.68Å; S73-T75 PolarHBondContact O-N 3.06Å; S73-T75 PolarHBondContact OG-N 3.16Å; S73-T75 PolarHBondContact OG-OG1 3.38Å; S73-Y76 WeakPolarHBondContact O-CB 3.4Å; S73-Y76 PolarHBondContact O-N 2.87Å; S73-T79 WeakPolarHBondContact CB-OG1 3.49Å
74P65.7Low68.8Low56 Ų5649.4 Ų49.436%0.36426%0.256SS..THydrogen-bonded Turntrans-54-21.5170.120.5-32.7000113.9Q6 F45Q6-P74 PolarHBondContact NE2-O 3.32Å; F45-P74 HydrophobicContact CB-CB 3.89Å; F45-P74 HydrophobicContact CB-CG 4.43Å; F45-P74 HydrophobicContact CG-CB 4.49Å
75T66.2Low69.4Low59 Ų5948.1 Ų48.136%0.36225%0.252SS..THydrogen-bonded Turntrans-87.96.5176.553.10000114.7S73 E78 T79S73-T75 PolarHBondContact O-N 3.06Å; S73-T75 PolarHBondContact OG-N 3.16Å; S73-T75 PolarHBondContact OG-OG1 3.38Å; T75-E78 WeakPolarHBondContact O-CA 3.21Å; T75-E78 WeakPolarHBondContact O-CB 3.09Å; T75-E78 PolarHBondContact O-N 3.16Å; T75-T79 VanDerWaalsContact C-OG1 3.31Å; T75-T79 PolarHBondContact O-N 2.97Å; T75-T79 PolarHBondContact O-OG1 3.2Å; T75-T79 VanDerWaalsContact OG1-CG2 3.27Å; T75-T79 WeakPolarHBondContact OG1-CG2 3.37Å; T75-T79 PolarHBondContact OG1-OG1 3.46Å
76Y62.1Low70Confident7 Ų753.2 Ų53.23%0.02727%0.272CS..THydrogen-bonded Turntrans-66.9137.7171.3171.3-88.5000110Q6 E9 C72 S73 T79 L81 I114 C115Q6-Y76 HydrophobicContact CG-CD1 3.84Å; Q6-Y76 PolarHBondContact NE2-O 2.94Å; E9-Y76 PolarHBondContact OE1-OH 3.41Å; E9-Y76 PolarHBondContact OE2-OH 3.4Å; C72-Y76 WeakPolarHBondContact SG-CB 3.3Å; C72-Y76 VanDerWaalsContact SG-CG 3.54Å; S73-Y76 WeakPolarHBondContact O-CB 3.4Å; S73-Y76 PolarHBondContact O-N 2.87Å; Y76-T79 PolarHBondContact N-OG1 3.21Å; Y76-L81 HydrophobicContact CD2-CD1 4.3Å; Y76-L81 HydrophobicContact CD2-CG 4.33Å; Y76-L81 HydrophobicContact CE2-CB 4.42Å; Y76-L81 HydrophobicContact CE2-CD1 3.71Å; Y76-L81 HydrophobicContact CE2-CG 4.2Å; Y76-I114 PolarHBondContact OH-O 2.94Å; Y76-C115 WeakPolarHBondContact OH-CA 3.5Å
77P55.8Low69.7Low29 Ų2954.4 Ų54.419%0.18829%0.285CS..THydrogen-bonded Turncis-91-3.315.936.8-36.9000116.2T79 G112P77-T79 PolarHBondContact O-N 3.36Å; P77-G112 WeakPolarHBondContact CB-O 3.21Å; P77-G112 WeakPolarHBondContact O-CA 3.35Å
78E59.1Low69.4Low132 Ų13254 Ų5462%0.61728%0.283SS*.SBendtrans-62.4-6.5178.2-54.7-177.8159.800114.6Y2 T75Y2-E78 HydrophobicContact CE2-CG 4.29Å; Y2-E78 WeakPolarHBondContact CE2-OE1 3.49Å; Y2-E78 VanDerWaalsContact CZ-OE1 3.24Å; Y2-E78 PolarHBondContact OH-OE1 2.87Å; T75-E78 WeakPolarHBondContact O-CA 3.21Å; T75-E78 WeakPolarHBondContact O-CB 3.09Å; T75-E78 PolarHBondContact O-N 3.16Å
79T63.2Low69Low52 Ų5263.7 Ų63.732%0.31933%0.325SS..SBendtrans-128.5138178.3430000111.6S73 T75 Y76 P77 L81S73-T79 WeakPolarHBondContact CB-OG1 3.49Å; T75-T79 VanDerWaalsContact C-OG1 3.31Å; T75-T79 PolarHBondContact O-N 2.97Å; T75-T79 PolarHBondContact O-OG1 3.2Å; T75-T79 VanDerWaalsContact OG1-CG2 3.27Å; T75-T79 WeakPolarHBondContact OG1-CG2 3.37Å; T75-T79 PolarHBondContact OG1-OG1 3.46Å; Y76-T79 PolarHBondContact N-OG1 3.21Å; P77-T79 PolarHBondContact O-N 3.36Å; T79-L81 PolarHBondContact O-N 3.35Å
80L64.2Low68.4Low91 Ų9167.5 Ų67.548%0.47634%0.338SS..  trans-55.3132.3-177.8-71.7167.8000112.1N82 T107L80-N82 PolarHBondContact O-N 2.93Å; L80-N82 VanDerWaalsContact O-N 3.15Å; L80-T107 WeakPolarHBondContact CD2-O 3.39Å
81L68Low68.1Low10 Ų1067.6 Ų67.65%0.05234%0.339CS..  trans-70.8107.5-178.8-145.2165.7000109.2L70 Y76 T79 F83 M116 L119L70-L81 HydrophobicContact CB-CD2 3.93Å; L70-L81 HydrophobicContact CD2-CD2 4.17Å; L70-L81 HydrophobicContact CG-CD2 4.46Å; Y76-L81 HydrophobicContact CD2-CD1 4.3Å; Y76-L81 HydrophobicContact CD2-CG 4.33Å; Y76-L81 HydrophobicContact CE2-CB 4.42Å; Y76-L81 HydrophobicContact CE2-CD1 3.71Å; Y76-L81 HydrophobicContact CE2-CG 4.2Å; T79-L81 PolarHBondContact O-N 3.35Å; L81-F83 WeakPolarHBondContact O-CD1 3.31Å; L81-F83 PolarHBondContact O-N 2.74Å; L81-M116 HydrophobicContact CD1-CB 4.24Å; L81-M116 HydrophobicContact CD1-CG 4.31Å; L81-L119 HydrophobicContact CB-CD1 4.4Å; L81-L119 HydrophobicContact CD1-CD1 3.89Å; L81-L119 HydrophobicContact CD2-CD1 4.44Å; L81-L119 HydrophobicContact CG-CD1 4.47Å
82N72.2Confident68.1Low114 Ų11469.1 Ų69.161%0.6135%0.346SS*.EExtended strand (participates in β ladder)trans-76.8121-176.1-90.1-53.3000110.4S71 L80S71-N82 PolarHBondContact N-O 2.95Å; S71-N82 PolarHBondContact O-N 3.29Å; S71-N82 VanDerWaalsContact OG-CB 3.29Å; S71-N82 WeakPolarHBondContact OG-CB 3.45Å; S71-N82 PolarHBondContact OG-O 3.41Å; L80-N82 PolarHBondContact O-N 2.93Å; L80-N82 VanDerWaalsContact O-N 3.15Å
83F75.3Confident68.3Low23 Ų2377.8 Ų77.810%0.10138%0.383CS..EExtended strand (participates in β ladder)trans-120.8153.5179.262.2-90.4000113.1I68 H69 L70 L81 I85 H100 L103 K104 T107I68-F83 HydrophobicContact CG2-CB 4.4Å; H69-F83 CarbonylContact O-C 3.46Å; H69-F83 VanDerWaalsContact O-CA 3.26Å; H69-F83 WeakPolarHBondContact O-CA 3.35Å; L70-F83 HydrophobicContact CD2-CB 3.53Å; L81-F83 WeakPolarHBondContact O-CD1 3.31Å; L81-F83 PolarHBondContact O-N 2.74Å; F83-I85 HydrophobicContact CD2-CD1 4.41Å; F83-I85 HydrophobicContact CD2-CG1 4.13Å; F83-I85 HydrophobicContact CE2-CD1 4.42Å; F83-H100 AromaticContact CE2-CD2 3.72Å; F83-H100 AromaticContact CE2-NE2 3.87Å; F83-L103 HydrophobicContact CE1-CB 4.3Å; F83-L103 HydrophobicContact CE2-CB 4Å; F83-L103 HydrophobicContact CZ-CB 3.88Å; F83-K104 HydrophobicContact CZ-CB 3.86Å; F83-K104 VanDerWaalsContact CZ-N 3.35Å; F83-T107 HydrophobicContact CD1-CG2 4.47Å; F83-T107 HydrophobicContact CE1-CG2 4.23Å
84R78Confident68.4Low192 Ų19278.7 Ų78.773%0.72539%0.393SS*.EExtended strand (participates in β ladder)trans-137.9127.9170.6-69.1-176.5177.9178.9-0.5110.6H69H69-R84 HydrophobicContact CB-CB 4.38Å; H69-R84 PolarHBondContact N-O 2.62Å; H69-R84 PolarHBondContact O-N 3.28Å
85I78.2Confident68.6Low24 Ų2477.8 Ų77.812%0.12338%0.384CS..EExtended strand (participates in β ladder)trans-100.5131.6-175.5-48.8-174.9000110.5V66 F83 I96 L99 H100 L103V66-I85 HydrophobicContact CG1-CG2 3.31Å; F83-I85 HydrophobicContact CD2-CD1 4.41Å; F83-I85 HydrophobicContact CD2-CG1 4.13Å; F83-I85 HydrophobicContact CE2-CD1 4.42Å; I85-I96 HydrophobicContact CB-CG2 4.24Å; I85-I96 HydrophobicContact CG2-CG2 4.03Å; I85-L99 HydrophobicContact CD1-CB 4.28Å; I85-L99 HydrophobicContact CD1-CD2 4.01Å; I85-L99 HydrophobicContact CD1-CG 3.78Å; I85-L99 HydrophobicContact CG2-CD2 4.26Å; I85-H100 HydrophobicContact CD1-CB 3.91Å; I85-L103 HydrophobicContact CD1-CD1 3.89Å
86K76.1Confident68.9Low134 Ų13476.8 Ų76.858%0.58338%0.376SS*.EExtended strand (participates in β ladder)trans-123.7102.5168.3-79.5-177-178.9164.10109.8I67I67-K86 HydrophobicContact CB-CB 4.4Å; I67-K86 PolarHBondContact N-O 2.93Å; I67-K86 PolarHBondContact O-N 3.25Å
87G65.5Low69.5Low27 Ų2779.3 Ų79.328%0.27840%0.395SS..EExtended strand (participates in β ladder)trans-79.4152.3173.100000113.8
88D68.2Low70.3Confident44 Ų4481.6 Ų81.624%0.23541%0.408CS..  trans-55151158.9-174.3-57.8000110.2V65 R90 V91V65-D88 HydrophobicContact CB-CB 4.34Å; V65-D88 WeakPolarHBondContact O-CB 3.48Å; V65-D88 PolarHBondContact O-N 3.3Å; D88-R90 PolarHBondContact O-N 3.39Å; D88-R90 WeakPolarHBondContact OD1-CB 3.31Å; D88-R90 WeakPolarHBondContact OD1-CG 3.37Å; D88-R90 IonicContact OD1-CZ 3.66Å; D88-R90 PolarHBondContact OD1-N 3.39Å; D88-R90 IonicContact OD1-NE 2.82Å; D88-R90 PolarHBondContact OD1-NE 3.18Å; D88-R90 IonicContact OD1-NH2 2.64Å; D88-R90 IonicContact OD2-CZ 2.92Å; D88-R90 IonicContact OD2-NE 2.88Å; D88-R90 PolarHBondContact OD2-NE 3.24Å; D88-R90 IonicContact OD2-NH2 3.89Å; D88-R90 PolarHBondContact OD2-NH2 3.42Å; D88-V91 PolarHBondContact O-N 3.44Å
89K67.9Low71.1Confident209 Ų20975.5 Ų75.591%0.90938%0.379SS*.THydrogen-bonded Turntrans-54.1-20.2176.1-64.6-177.5178.8-179.30113.6V91K89-V91 VanDerWaalsContact C-N 3.32Å
90R64.7Low71.9Confident114 Ų11476.4 Ų76.443%0.4338%0.38SS..THydrogen-bonded Turntrans-84.22178-63.2171.7-71.7165.85.6114.3K63 D88K63-R90 PolarHBondContact O-NH1 3.17Å; K63-R90 PolarHBondContact O-NH2 3.02Å; D88-R90 PolarHBondContact O-N 3.39Å; D88-R90 WeakPolarHBondContact OD1-CB 3.31Å; D88-R90 WeakPolarHBondContact OD1-CG 3.37Å; D88-R90 IonicContact OD1-CZ 3.66Å; D88-R90 PolarHBondContact OD1-N 3.39Å; D88-R90 IonicContact OD1-NE 2.82Å; D88-R90 PolarHBondContact OD1-NE 3.18Å; D88-R90 IonicContact OD1-NH2 2.64Å; D88-R90 IonicContact OD2-CZ 2.92Å; D88-R90 IonicContact OD2-NE 2.88Å; D88-R90 PolarHBondContact OD2-NE 3.24Å; D88-R90 IonicContact OD2-NH2 3.89Å; D88-R90 PolarHBondContact OD2-NH2 3.42Å
91V67.7Low72.5Confident7 Ų775.9 Ų75.94%0.04238%0.378CS..SBendtrans-112.7123.2168.1-1730000107.3K64 V66 D88 K89 Q95 I96 L130K64-V91 HydrophobicContact CB-CG2 4.43Å; V66-V91 HydrophobicContact CG2-CG2 4.06Å; D88-V91 PolarHBondContact O-N 3.44Å; K89-V91 VanDerWaalsContact C-N 3.32Å; V91-Q95 HydrophobicContact CG1-CB 3.69Å; V91-I96 HydrophobicContact CB-CG1 4.41Å; V91-I96 HydrophobicContact CG1-CG1 3.89Å; V91-L130 HydrophobicContact CG1-CD1 4.04Å
92T73.3Confident72.6Confident72 Ų7278.3 Ų78.344%0.44239%0.393SS..  trans-70.7155.9-17372.30000111.5A94 Q95 I96T92-A94 PolarHBondContact O-N 3.08Å; T92-Q95 WeakPolarHBondContact O-CB 3.12Å; T92-Q95 PolarHBondContact O-N 3.06Å; T92-Q95 WeakPolarHBondContact OG1-CG 3.27Å; T92-Q95 PolarHBondContact OG1-N 2.99Å; T92-Q95 VanDerWaalsContact OG1-N 3.16Å; T92-I96 WeakPolarHBondContact O-CG1 3.41Å; T92-I96 PolarHBondContact O-N 3.07Å
93K73.5Confident72.6Confident191 Ų19173 Ų7383%0.8336%0.364SS*.Hα-helixtrans-55.5-35.2174.2-76.1-173.6175.9-177.90112.5I96 S97K93-I96 PolarHBondContact O-N 3.11Å; K93-S97 PolarHBondContact O-N 3.36Å
94A71.4Confident72.6Confident65 Ų6576 Ų7654%0.53738%0.378SS..Hα-helixtrans-64.6-46.4174.200000111.7T92 I96 S97 V98T92-A94 PolarHBondContact O-N 3.08Å; A94-I96 VanDerWaalsContact C-N 3.31Å; A94-I96 PolarHBondContact O-N 3.23Å; A94-S97 WeakPolarHBondContact O-CB 3.45Å; A94-S97 PolarHBondContact O-N 3.33Å; A94-S97 VanDerWaalsContact O-N 3.12Å; A94-V98 WeakPolarHBondContact O-CG2 3.28Å; A94-V98 PolarHBondContact O-N 3.45Å
95Q69.2Low72.2Confident37 Ų3773.1 Ų73.117%0.17337%0.372CS..Hα-helixtrans-62.1-37175.2-71.9163.9-1100112.4V91 T92 L99 F126 L130V91-Q95 HydrophobicContact CG1-CB 3.69Å; T92-Q95 WeakPolarHBondContact O-CB 3.12Å; T92-Q95 PolarHBondContact O-N 3.06Å; T92-Q95 WeakPolarHBondContact OG1-CG 3.27Å; T92-Q95 PolarHBondContact OG1-N 2.99Å; T92-Q95 VanDerWaalsContact OG1-N 3.16Å; Q95-L99 PolarHBondContact O-N 2.78Å; Q95-F126 HydrophobicContact CB-CZ 4.42Å; Q95-F126 WeakPolarHBondContact O-CE1 3.27Å; Q95-F126 VanDerWaalsContact O-CZ 3.31Å; Q95-F126 WeakPolarHBondContact O-CZ 3.38Å; Q95-L130 HydrophobicContact CB-CD1 4.31Å; Q95-L130 HydrophobicContact CG-CD1 4.4Å; Q95-L130 HydrophobicContact CG-CD2 3.89Å
96I74.2Confident71.4Confident38 Ų3875.2 Ų75.220%0.19538%0.383CS..Hα-helixtrans-66.9-38.5173.5-63169.9000110.9I85 V91 T92 K93 A94 H100I85-I96 HydrophobicContact CB-CG2 4.24Å; I85-I96 HydrophobicContact CG2-CG2 4.03Å; V91-I96 HydrophobicContact CB-CG1 4.41Å; V91-I96 HydrophobicContact CG1-CG1 3.89Å; T92-I96 WeakPolarHBondContact O-CG1 3.41Å; T92-I96 PolarHBondContact O-N 3.07Å; K93-I96 PolarHBondContact O-N 3.11Å; A94-I96 VanDerWaalsContact C-N 3.31Å; A94-I96 PolarHBondContact O-N 3.23Å; I96-H100 VanDerWaalsContact O-CB 3.28Å; I96-H100 WeakPolarHBondContact O-CB 3.29Å; I96-H100 PolarHBondContact O-N 2.76Å
97S73.7Confident70.9Confident60 Ų6069.3 Ų69.342%0.4236%0.359SS..Hα-helixtrans-64.2-49.3174.9-158.40000111.2K93 A94 L99 H100 D101K93-S97 PolarHBondContact O-N 3.36Å; A94-S97 WeakPolarHBondContact O-CB 3.45Å; A94-S97 PolarHBondContact O-N 3.33Å; A94-S97 VanDerWaalsContact O-N 3.12Å; S97-L99 VanDerWaalsContact C-N 3.31Å; S97-L99 PolarHBondContact O-N 2.83Å; S97-H100 CarbonylContact O-C 3.55Å; S97-H100 WeakPolarHBondContact O-CA 3.49Å; S97-H100 WeakPolarHBondContact O-CB 3.4Å; S97-H100 PolarHBondContact O-N 3.32Å; S97-D101 WeakPolarHBondContact O-CB 3.45Å; S97-D101 PolarHBondContact O-N 3.15Å; S97-D101 PolarHBondContact OG-OD2 3.11Å
98V73.6Confident71Confident78 Ų7872.7 Ų72.747%0.47337%0.367SS..Hα-helixtrans-57.7-43.6178.2175.20000111.2A94 D101 V102 F126A94-V98 WeakPolarHBondContact O-CG2 3.28Å; A94-V98 PolarHBondContact O-N 3.45Å; V98-D101 PolarHBondContact O-N 3.3Å; V98-V102 HydrophobicContact CG1-CG2 4.48Å; V98-V102 WeakPolarHBondContact O-CB 3.33Å; V98-V102 VanDerWaalsContact O-CG2 3.3Å; V98-V102 WeakPolarHBondContact O-CG2 3.46Å; V98-V102 PolarHBondContact O-N 3.38Å; V98-F126 HydrophobicContact CB-CE2 4.37Å; V98-F126 HydrophobicContact CB-CZ 4.32Å; V98-F126 HydrophobicContact CG1-CE2 3.82Å; V98-F126 HydrophobicContact CG1-CZ 4.26Å
99L75.1Confident70.7Confident3 Ų375.3 Ų75.32%0.01639%0.385CS..Hα-helixtrans-62.4-44.1173.4-17959.7000112V66 I85 Q95 S97 D101 V102 L103 F126V66-L99 HydrophobicContact CG1-CD2 4.42Å; I85-L99 HydrophobicContact CD1-CB 4.28Å; I85-L99 HydrophobicContact CD1-CD2 4.01Å; I85-L99 HydrophobicContact CD1-CG 3.78Å; I85-L99 HydrophobicContact CG2-CD2 4.26Å; Q95-L99 PolarHBondContact O-N 2.78Å; S97-L99 VanDerWaalsContact C-N 3.31Å; S97-L99 PolarHBondContact O-N 2.83Å; L99-D101 VanDerWaalsContact C-N 3.31Å; L99-D101 PolarHBondContact O-N 3.15Å; L99-V102 PolarHBondContact O-N 3.4Å; L99-L103 HydrophobicContact CD1-CD1 3.95Å; L99-L103 HydrophobicContact CD1-CD2 4.28Å; L99-L103 HydrophobicContact CD1-CG 3.93Å; L99-L103 HydrophobicContact CG-CD1 4.04Å; L99-L103 HydrophobicContact CG-CG 4.36Å; L99-L103 VanDerWaalsContact O-CG 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.32Å; L99-L103 PolarHBondContact O-N 2.91Å; L99-F126 HydrophobicContact CB-CD1 3.82Å; L99-F126 HydrophobicContact CB-CE1 3.67Å; L99-F126 HydrophobicContact CB-CG 4.37Å; L99-F126 HydrophobicContact CB-CZ 4.13Å; L99-F126 HydrophobicContact CD1-CB 3.82Å; L99-F126 HydrophobicContact CD1-CD1 3.79Å; L99-F126 HydrophobicContact CD1-CG 3.81Å; L99-F126 HydrophobicContact CD2-CD1 4.04Å; L99-F126 HydrophobicContact CD2-CE1 4.43Å; L99-F126 HydrophobicContact CG-CD1 4.07Å; L99-F126 HydrophobicContact CG-CE1 4.41Å
100H80.7Confident70.1Confident71 Ų7169.1 Ų69.133%0.32936%0.36SS..Hα-helixtrans-60.5-41.4178-173.4-76.7000112F83 I85 I96 S97 K104F83-H100 AromaticContact CE2-CD2 3.72Å; F83-H100 AromaticContact CE2-NE2 3.87Å; I85-H100 HydrophobicContact CD1-CB 3.91Å; I96-H100 VanDerWaalsContact O-CB 3.28Å; I96-H100 WeakPolarHBondContact O-CB 3.29Å; I96-H100 PolarHBondContact O-N 2.76Å; S97-H100 CarbonylContact O-C 3.55Å; S97-H100 WeakPolarHBondContact O-CA 3.49Å; S97-H100 WeakPolarHBondContact O-CB 3.4Å; S97-H100 PolarHBondContact O-N 3.32Å; H100-K104 WeakPolarHBondContact O-CB 3.43Å; H100-K104 PolarHBondContact O-N 2.61Å
101D76.1Confident69.5Low81 Ų8174.3 Ų74.343%0.43338%0.38SS..Hα-helixtrans-73.5-37-178.9-62-36.9000111.5S97 V98 L99 K104 Q105S97-D101 WeakPolarHBondContact O-CB 3.45Å; S97-D101 PolarHBondContact O-N 3.15Å; S97-D101 PolarHBondContact OG-OD2 3.11Å; V98-D101 PolarHBondContact O-N 3.3Å; L99-D101 VanDerWaalsContact C-N 3.31Å; L99-D101 PolarHBondContact O-N 3.15Å; D101-K104 PolarHBondContact O-N 3.5Å; D101-Q105 VanDerWaalsContact O-CB 3.28Å; D101-Q105 WeakPolarHBondContact O-CB 3.19Å; D101-Q105 PolarHBondContact O-N 2.88Å
102V70.5Confident68.8Low61 Ų6175.1 Ų75.137%0.3739%0.389SS..Hα-helixtrans-64-49.7172168.40000111.7V98 L99 K104 Q105 L106V98-V102 HydrophobicContact CG1-CG2 4.48Å; V98-V102 WeakPolarHBondContact O-CB 3.33Å; V98-V102 VanDerWaalsContact O-CG2 3.3Å; V98-V102 WeakPolarHBondContact O-CG2 3.46Å; V98-V102 PolarHBondContact O-N 3.38Å; L99-V102 PolarHBondContact O-N 3.4Å; V102-K104 VanDerWaalsContact C-N 3.29Å; V102-K104 PolarHBondContact O-N 3.39Å; V102-Q105 PolarHBondContact O-N 3.3Å; V102-L106 HydrophobicContact CG1-CD1 4.09Å; V102-L106 WeakPolarHBondContact O-CG 3.47Å; V102-L106 PolarHBondContact O-N 2.92Å
103L72.7Confident67.8Low1 Ų179 Ų791%0.00540%0.402CS..Hα-helixtrans-66.2-34.1178.1-60177.9000111.5I68 F83 I85 L99 L106 T107 L119 A122 S123I68-L103 HydrophobicContact CD1-CD1 4.09Å; F83-L103 HydrophobicContact CE1-CB 4.3Å; F83-L103 HydrophobicContact CE2-CB 4Å; F83-L103 HydrophobicContact CZ-CB 3.88Å; I85-L103 HydrophobicContact CD1-CD1 3.89Å; L99-L103 HydrophobicContact CD1-CD1 3.95Å; L99-L103 HydrophobicContact CD1-CD2 4.28Å; L99-L103 HydrophobicContact CD1-CG 3.93Å; L99-L103 HydrophobicContact CG-CD1 4.04Å; L99-L103 HydrophobicContact CG-CG 4.36Å; L99-L103 VanDerWaalsContact O-CG 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.32Å; L99-L103 PolarHBondContact O-N 2.91Å; L103-L106 HydrophobicContact CD2-CD1 4.38Å; L103-T107 WeakPolarHBondContact O-CG2 3.2Å; L103-T107 PolarHBondContact O-N 3.45Å; L103-T107 PolarHBondContact O-OG1 3.4Å; L103-T107 VanDerWaalsContact O-OG1 3.11Å; L103-L119 HydrophobicContact CB-CD2 4Å; L103-L119 HydrophobicContact CD2-CD2 3.89Å; L103-L119 HydrophobicContact CG-CD2 4.33Å; L103-A122 HydrophobicContact CD2-CB 4.12Å; L103-S123 VanDerWaalsContact CD1-OG 3.28Å; L103-S123 WeakPolarHBondContact CD1-OG 3.2Å; L103-S123 WeakPolarHBondContact CD2-OG 3.48Å
104K75.2Confident66.9Low88 Ų8870.5 Ų70.538%0.38337%0.366SS..Hα-helixtrans-63.2-51.7174-173.6178.3169.7-171.80110.5F83 H100 D101 V102 L106 T107 E108F83-K104 HydrophobicContact CZ-CB 3.86Å; F83-K104 VanDerWaalsContact CZ-N 3.35Å; H100-K104 WeakPolarHBondContact O-CB 3.43Å; H100-K104 PolarHBondContact O-N 2.61Å; D101-K104 PolarHBondContact O-N 3.5Å; V102-K104 VanDerWaalsContact C-N 3.29Å; V102-K104 PolarHBondContact O-N 3.39Å; K104-L106 VanDerWaalsContact C-N 3.3Å; K104-L106 PolarHBondContact O-N 2.99Å; K104-T107 PolarHBondContact O-N 2.89Å; K104-T107 PolarHBondContact O-OG1 2.88Å; K104-E108 WeakPolarHBondContact CE-OE1 3.29Å; K104-E108 WeakPolarHBondContact CE-OE2 3.44Å; K104-E108 HydrophobicContact CG-CG 4.33Å; K104-E108 IonicContact NZ-OE1 3.39Å; K104-E108 WeakPolarHBondContact O-CB 3.48Å; K104-E108 WeakPolarHBondContact O-CG 3.49Å; K104-E108 PolarHBondContact O-N 3.34Å
105Q68Low66.4Low131 Ų13168.6 Ų68.661%0.61235%0.348SS*.Hα-helixtrans-61.2-39.2-180-170.6173.99.700111.6D101 V102 T109D101-Q105 VanDerWaalsContact O-CB 3.28Å; D101-Q105 WeakPolarHBondContact O-CB 3.19Å; D101-Q105 PolarHBondContact O-N 2.88Å; V102-Q105 PolarHBondContact O-N 3.3Å; Q105-T109 VanDerWaalsContact O-CB 3.23Å; Q105-T109 WeakPolarHBondContact O-CB 3.15Å; Q105-T109 PolarHBondContact O-N 2.82Å; Q105-T109 PolarHBondContact O-OG1 2.72Å
106L62.2Low66.1Low67 Ų6767.1 Ų67.135%0.35134%0.341SS..Hα-helixtrans-57.9-56171.3-76.2166.5000111V102 L103 K104 E108 T109 M110 I114 A122V102-L106 HydrophobicContact CG1-CD1 4.09Å; V102-L106 WeakPolarHBondContact O-CG 3.47Å; V102-L106 PolarHBondContact O-N 2.92Å; L103-L106 HydrophobicContact CD2-CD1 4.38Å; K104-L106 VanDerWaalsContact C-N 3.3Å; K104-L106 PolarHBondContact O-N 2.99Å; L106-E108 VanDerWaalsContact C-N 3.34Å; L106-E108 PolarHBondContact O-N 3.48Å; L106-T109 PolarHBondContact O-N 3.01Å; L106-M110 WeakPolarHBondContact O-CG 3.32Å; L106-M110 PolarHBondContact O-N 3.46Å; L106-M110 VanDerWaalsContact O-N 3.11Å; L106-I114 HydrophobicContact CB-CD1 3.82Å; L106-I114 VanDerWaalsContact O-CD1 3.24Å; L106-I114 WeakPolarHBondContact O-CD1 3.44Å; L106-A122 HydrophobicContact CD1-CB 3.89Å
107T66.1Low65.6Low11 Ų1167.5 Ų67.57%0.06734%0.341CS..Hα-helixtrans-59.3-39179.853.20000113.7L80 F83 L103 K104 L119L80-T107 WeakPolarHBondContact CD2-O 3.39Å; F83-T107 HydrophobicContact CD1-CG2 4.47Å; F83-T107 HydrophobicContact CE1-CG2 4.23Å; L103-T107 WeakPolarHBondContact O-CG2 3.2Å; L103-T107 PolarHBondContact O-N 3.45Å; L103-T107 PolarHBondContact O-OG1 3.4Å; L103-T107 VanDerWaalsContact O-OG1 3.11Å; K104-T107 PolarHBondContact O-N 2.89Å; K104-T107 PolarHBondContact O-OG1 2.88Å; T107-L119 HydrophobicContact CG2-CD1 4.15Å; T107-L119 HydrophobicContact CG2-CD2 4.03Å; T107-L119 HydrophobicContact CG2-CG 4.48Å
108E67.6Low65.2Low98 Ų9868.5 Ų68.546%0.45834%0.339SS..Hα-helixtrans-73.3-36.9178.8-72179.915900112.8K104 L106K104-E108 WeakPolarHBondContact CE-OE1 3.29Å; K104-E108 WeakPolarHBondContact CE-OE2 3.44Å; K104-E108 HydrophobicContact CG-CG 4.33Å; K104-E108 IonicContact NZ-OE1 3.39Å; K104-E108 WeakPolarHBondContact O-CB 3.48Å; K104-E108 WeakPolarHBondContact O-CG 3.49Å; K104-E108 PolarHBondContact O-N 3.34Å; L106-E108 VanDerWaalsContact C-N 3.34Å; L106-E108 PolarHBondContact O-N 3.48Å
109T62Low64.9Low99 Ų9965 Ų6561%0.60732%0.318SS*.Hα-helixtrans-69.9-39.1-179.7-55.40000111.6Q105 L106Q105-T109 VanDerWaalsContact O-CB 3.23Å; Q105-T109 WeakPolarHBondContact O-CB 3.15Å; Q105-T109 PolarHBondContact O-N 2.82Å; Q105-T109 PolarHBondContact O-OG1 2.72Å; L106-T109 PolarHBondContact O-N 3.01Å
110M54.4Low64.6Low78 Ų7865.1 Ų65.138%0.38432%0.319SS..THydrogen-bonded Turntrans-912.3-173.3-61.2-67.5-77.700114.5L106 G112 Q113 I114L106-M110 WeakPolarHBondContact O-CG 3.32Å; L106-M110 PolarHBondContact O-N 3.46Å; L106-M110 VanDerWaalsContact O-N 3.11Å; M110-G112 VanDerWaalsContact C-N 3.33Å; M110-G112 PolarHBondContact O-N 2.86Å; M110-Q113 WeakPolarHBondContact O-CB 3.31Å; M110-Q113 PolarHBondContact O-N 3.48Å; M110-I114 HydrophobicContact CB-CB 4.49Å; M110-I114 HydrophobicContact CB-CD1 3.69Å; M110-I114 HydrophobicContact CB-CG1 3.64Å; M110-I114 HydrophobicContact CG-CD1 3.65Å; M110-I114 HydrophobicContact CG-CG1 3.77Å
111R53Low63.9Low224 Ų22463.8 Ų63.885%0.84531%0.313SS*.THydrogen-bonded Turntrans33.951.8169.8-70.3-169.5169.8-161.9-0.9116.6
112G52.3Low63.5Low23 Ų2361.1 Ų61.124%0.23730%0.302CS..THydrogen-bonded Turntrans81.631-179.900000114.8P77 M110P77-G112 WeakPolarHBondContact CB-O 3.21Å; P77-G112 WeakPolarHBondContact O-CA 3.35Å; M110-G112 VanDerWaalsContact C-N 3.33Å; M110-G112 PolarHBondContact O-N 2.86Å
113Q52.9Low63.4Low154 Ų15458.2 Ų58.272%0.7228%0.284SS*.  trans-116.9-1.8166.6-63.1-171.6-37.600113.2M110 C115M110-Q113 WeakPolarHBondContact O-CB 3.31Å; M110-Q113 PolarHBondContact O-N 3.48Å; Q113-C115 PolarHBondContact O-N 3.5Å
114I54.8Low63.1Low13 Ų1361.6 Ų61.67%0.06730%0.3CS..  trans-79.1117.7174.8-86.5167.9000109.9Y76 L106 M110 E118 L119Y76-I114 PolarHBondContact OH-O 2.94Å; L106-I114 HydrophobicContact CB-CD1 3.82Å; L106-I114 VanDerWaalsContact O-CD1 3.24Å; L106-I114 WeakPolarHBondContact O-CD1 3.44Å; M110-I114 HydrophobicContact CB-CB 4.49Å; M110-I114 HydrophobicContact CB-CD1 3.69Å; M110-I114 HydrophobicContact CB-CG1 3.64Å; M110-I114 HydrophobicContact CG-CD1 3.65Å; M110-I114 HydrophobicContact CG-CG1 3.77Å; I114-E118 WeakPolarHBondContact CA-OE2 3.18Å; I114-L119 HydrophobicContact CG2-CD1 3.76Å; I114-L119 HydrophobicContact CG2-CG 3.82Å
115C59.2Low62.6Low25 Ų2558.9 Ų58.917%0.16929%0.29CS..  trans-74.6154.3167.278.90000109.6E9 Y76 Q113 K117 E118E9-C115 WeakPolarHBondContact OE1-CB 3.09Å; E9-C115 WeakPolarHBondContact OE2-CA 3.27Å; Y76-C115 WeakPolarHBondContact OH-CA 3.5Å; Q113-C115 PolarHBondContact O-N 3.5Å; C115-K117 PolarHBondContact O-N 3.46Å; C115-E118 PolarHBondContact N-OE2 3.21Å; C115-E118 PolarHBondContact O-N 3.46Å; C115-E118 PolarHBondContact SG-OE1 2.71Å
116M64.9Low62.7Low6 Ų654.3 Ų54.33%0.0327%0.268CS..THydrogen-bonded Turntrans-64.7-13.7-174.1-168.9-175-48.800113.1E9 L10 I13 V49 L70 C72 L81 I120E9-M116 PolarHBondContact OE2-N 2.99Å; L10-M116 HydrophobicContact CD1-CE 3.91Å; L10-M116 HydrophobicContact CD1-SD 4.32Å; I13-M116 HydrophobicContact CD1-CB 3.47Å; I13-M116 VanDerWaalsContact CD1-CB 3.47Å; I13-M116 HydrophobicContact CD1-CG 3.85Å; I13-M116 HydrophobicContact CD1-SD 4.22Å; V49-M116 HydrophobicContact CB-SD 4.48Å; V49-M116 HydrophobicContact CG2-SD 4.19Å; L70-M116 HydrophobicContact CD1-CG 3.46Å; L70-M116 VanDerWaalsContact CD1-CG 3.46Å; L70-M116 HydrophobicContact CD1-SD 3.93Å; C72-M116 HydrophobicContact CB-CE 4.47Å; L81-M116 HydrophobicContact CD1-CB 4.24Å; L81-M116 HydrophobicContact CD1-CG 4.31Å; M116-I120 WeakPolarHBondContact O-CG1 3.49Å
117K62Low62.8Low45 Ų4551.1 Ų51.120%0.19625%0.251CS..THydrogen-bonded Turntrans-73.7-44.5175.5165.7-168.8168.7-164.10113.7I13 C115 L119 I120 E121 I169I13-K117 HydrophobicContact CD1-CB 4.46Å; I13-K117 HydrophobicContact CG1-CB 4.42Å; C115-K117 PolarHBondContact O-N 3.46Å; K117-L119 VanDerWaalsContact C-N 3.25Å; K117-L119 PolarHBondContact O-N 2.71Å; K117-I120 WeakPolarHBondContact O-CA 3.2Å; K117-I120 VanDerWaalsContact O-CB 3.32Å; K117-I120 WeakPolarHBondContact O-CB 3.29Å; K117-I120 PolarHBondContact O-N 2.64Å; K117-E121 WeakPolarHBondContact CE-OE1 3.44Å; K117-E121 WeakPolarHBondContact CG-OE1 3.36Å; K117-E121 PolarHBondContact O-N 2.81Å; K117-E121 VanDerWaalsContact O-N 3.1Å; K117-I169 VanDerWaalsContact NZ-CD1 3.27Å
118E65.4Low62.6Low81 Ų8155.6 Ų55.638%0.37927%0.27SS..Hα-helixtrans-62.2-35.1-177.5-67.1132.7-162.400111.9I114 C115 I120 E121 A122I114-E118 WeakPolarHBondContact CA-OE2 3.18Å; C115-E118 PolarHBondContact N-OE2 3.21Å; C115-E118 PolarHBondContact O-N 3.46Å; C115-E118 PolarHBondContact SG-OE1 2.71Å; E118-I120 VanDerWaalsContact C-N 3.25Å; E118-I120 PolarHBondContact O-N 3.22Å; E118-E121 PolarHBondContact O-N 2.85Å; E118-A122 WeakPolarHBondContact O-CB 3.48Å; E118-A122 PolarHBondContact O-N 3.17Å
119L68.5Low62.5Low4 Ų454 Ų542%0.02127%0.269CS..Hα-helixtrans-60.3-32.3171.8-87.5163000113L81 L103 T107 I114 K117 S123L81-L119 HydrophobicContact CB-CD1 4.4Å; L81-L119 HydrophobicContact CD1-CD1 3.89Å; L81-L119 HydrophobicContact CD2-CD1 4.44Å; L81-L119 HydrophobicContact CG-CD1 4.47Å; L103-L119 HydrophobicContact CB-CD2 4Å; L103-L119 HydrophobicContact CD2-CD2 3.89Å; L103-L119 HydrophobicContact CG-CD2 4.33Å; T107-L119 HydrophobicContact CG2-CD1 4.15Å; T107-L119 HydrophobicContact CG2-CD2 4.03Å; T107-L119 HydrophobicContact CG2-CG 4.48Å; I114-L119 HydrophobicContact CG2-CD1 3.76Å; I114-L119 HydrophobicContact CG2-CG 3.82Å; K117-L119 VanDerWaalsContact C-N 3.25Å; K117-L119 PolarHBondContact O-N 2.71Å; L119-S123 VanDerWaalsContact O-CB 3.28Å; L119-S123 WeakPolarHBondContact O-CB 3.21Å; L119-S123 PolarHBondContact O-N 3.29Å; L119-S123 PolarHBondContact O-OG 3.19Å
120I67.6Low62.3Low6 Ų650.4 Ų50.43%0.03125%0.246CC..Hα-helixtrans-76.7-45.4179.3-60.1170.7000109.9I13 L51 I53 M116 K117 E118 S123 H124I13-I120 HydrophobicContact CD1-CD1 4.4Å; I13-I120 HydrophobicContact CG2-CD1 3.89Å; L51-I120 HydrophobicContact CD1-CD1 3.48Å; L51-I120 VanDerWaalsContact CD1-CD1 3.48Å; L51-I120 HydrophobicContact CD1-CG1 3.52Å; I53-I120 HydrophobicContact CD1-CG2 4.2Å; M116-I120 WeakPolarHBondContact O-CG1 3.49Å; K117-I120 WeakPolarHBondContact O-CA 3.2Å; K117-I120 VanDerWaalsContact O-CB 3.32Å; K117-I120 WeakPolarHBondContact O-CB 3.29Å; K117-I120 PolarHBondContact O-N 2.64Å; E118-I120 VanDerWaalsContact C-N 3.25Å; E118-I120 PolarHBondContact O-N 3.22Å; I120-S123 WeakPolarHBondContact O-CB 3.4Å; I120-S123 PolarHBondContact O-N 2.82Å; I120-H124 WeakPolarHBondContact O-CB 3.31Å; I120-H124 PolarHBondContact O-N 2.85Å
121E66.7Low62.1Low44 Ų4449.8 Ų49.821%0.20625%0.25CC..Hα-helixtrans-63.8-51.7-178.8-69.9168.5170.700110.5K117 E118 S123 H124 D125K117-E121 WeakPolarHBondContact CE-OE1 3.44Å; K117-E121 WeakPolarHBondContact CG-OE1 3.36Å; K117-E121 PolarHBondContact O-N 2.81Å; K117-E121 VanDerWaalsContact O-N 3.1Å; E118-E121 PolarHBondContact O-N 2.85Å; E121-S123 PolarHBondContact O-N 3.18Å; E121-S123 VanDerWaalsContact O-N 3.17Å; E121-H124 WeakPolarHBondContact O-CB 3.21Å; E121-H124 PolarHBondContact O-N 3.35Å; E121-D125 PolarHBondContact O-N 2.79Å
122A67.3Low61.5Low25 Ų2543.7 Ų43.721%0.20724%0.238CC..Hα-helixtrans-56.7-35.1174.300000113.2L103 L106 E118 F126L103-A122 HydrophobicContact CD2-CB 4.12Å; L106-A122 HydrophobicContact CD1-CB 3.89Å; E118-A122 WeakPolarHBondContact O-CB 3.48Å; E118-A122 PolarHBondContact O-N 3.17Å; A122-F126 PolarHBondContact O-N 3.41Å
123S67.7Low60.7Low0 Ų048 Ų480%026%0.261CS..Hα-helixtrans-73.8-37.1176.5-63.50000113.3I53 I68 L103 L119 I120 E121 L127I53-S123 VanDerWaalsContact CD1-CB 3.42Å; I68-S123 VanDerWaalsContact CD1-CB 3.49Å; I68-S123 WeakPolarHBondContact CD1-OG 3.5Å; L103-S123 VanDerWaalsContact CD1-OG 3.28Å; L103-S123 WeakPolarHBondContact CD1-OG 3.2Å; L103-S123 WeakPolarHBondContact CD2-OG 3.48Å; L119-S123 VanDerWaalsContact O-CB 3.28Å; L119-S123 WeakPolarHBondContact O-CB 3.21Å; L119-S123 PolarHBondContact O-N 3.29Å; L119-S123 PolarHBondContact O-OG 3.19Å; I120-S123 WeakPolarHBondContact O-CB 3.4Å; I120-S123 PolarHBondContact O-N 2.82Å; E121-S123 PolarHBondContact O-N 3.18Å; E121-S123 VanDerWaalsContact O-N 3.17Å; S123-L127 VanDerWaalsContact O-CG 3.27Å; S123-L127 WeakPolarHBondContact O-CG 3.36Å; S123-L127 PolarHBondContact O-N 2.98Å
124H67Low59.8Low71 Ų7147.5 Ų47.533%0.32926%0.262SS..Hα-helixtrans-65-45.8175.9177.5-91.7000110.9I53 I120 E121 L127 K128I53-H124 HydrophobicContact CG2-CB 3.95Å; I120-H124 WeakPolarHBondContact O-CB 3.31Å; I120-H124 PolarHBondContact O-N 2.85Å; E121-H124 WeakPolarHBondContact O-CB 3.21Å; E121-H124 PolarHBondContact O-N 3.35Å; H124-L127 WeakPolarHBondContact O-CB 3.44Å; H124-L127 PolarHBondContact O-N 3.47Å; H124-L127 VanDerWaalsContact O-N 3.1Å; H124-K128 PolarHBondContact O-N 2.84Å
125D65.4Low58.6Low31 Ų3152.2 Ų52.217%0.16629%0.291CS..Hα-helixtrans-74.3-31.5-175.4-65.1-26.3000112.7E121 L127 K128 S129E121-D125 PolarHBondContact O-N 2.79Å; D125-L127 VanDerWaalsContact C-N 3.33Å; D125-L127 PolarHBondContact O-N 3.4Å; D125-K128 WeakPolarHBondContact O-CB 3.18Å; D125-K128 PolarHBondContact O-N 3.31Å; D125-S129 WeakPolarHBondContact O-CB 3.47Å; D125-S129 PolarHBondContact O-N 3.42Å
126F68.7Low57.1Low35 Ų3557.4 Ų57.415%0.15432%0.317CS..Hα-helixtrans-56.9-46.5164.9-179.2-97.2000111.7Q95 V98 L99 A122 K128 S129 L130Q95-F126 HydrophobicContact CB-CZ 4.42Å; Q95-F126 WeakPolarHBondContact O-CE1 3.27Å; Q95-F126 VanDerWaalsContact O-CZ 3.31Å; Q95-F126 WeakPolarHBondContact O-CZ 3.38Å; V98-F126 HydrophobicContact CB-CE2 4.37Å; V98-F126 HydrophobicContact CB-CZ 4.32Å; V98-F126 HydrophobicContact CG1-CE2 3.82Å; V98-F126 HydrophobicContact CG1-CZ 4.26Å; L99-F126 HydrophobicContact CB-CD1 3.82Å; L99-F126 HydrophobicContact CB-CE1 3.67Å; L99-F126 HydrophobicContact CB-CG 4.37Å; L99-F126 HydrophobicContact CB-CZ 4.13Å; L99-F126 HydrophobicContact CD1-CB 3.82Å; L99-F126 HydrophobicContact CD1-CD1 3.79Å; L99-F126 HydrophobicContact CD1-CG 3.81Å; L99-F126 HydrophobicContact CD2-CD1 4.04Å; L99-F126 HydrophobicContact CD2-CE1 4.43Å; L99-F126 HydrophobicContact CG-CD1 4.07Å; L99-F126 HydrophobicContact CG-CE1 4.41Å; A122-F126 PolarHBondContact O-N 3.41Å; F126-K128 VanDerWaalsContact C-N 3.32Å; F126-K128 PolarHBondContact O-N 2.9Å; F126-S129 WeakPolarHBondContact O-CB 3.27Å; F126-S129 PolarHBondContact O-N 2.88Å; F126-S129 PolarHBondContact O-OG 3.38Å; F126-L130 HydrophobicContact CD1-CD1 4.25Å; F126-L130 HydrophobicContact CD1-CG 4.43Å; F126-L130 HydrophobicContact CE1-CD1 3.73Å; F126-L130 HydrophobicContact CE1-CD2 4.28Å; F126-L130 HydrophobicContact CE1-CG 4.07Å; F126-L130 HydrophobicContact CZ-CD1 4.37Å; F126-L130 HydrophobicContact CZ-CD2 4.12Å; F126-L130 HydrophobicContact CZ-CG 4.39Å; F126-L130 PolarHBondContact O-N 3.17Å
127L64.4Low55.4Low1 Ų163.1 Ų63.11%0.00536%0.357CS..Hα-helixtrans-68.1-31.3179.1-65.1171.1000113.4I53 V66 S123 H124 D125 L130I53-L127 HydrophobicContact CB-CD1 3.89Å; I53-L127 HydrophobicContact CG2-CD1 3.75Å; V66-L127 HydrophobicContact CB-CD1 4Å; V66-L127 HydrophobicContact CB-CD2 4.28Å; V66-L127 HydrophobicContact CG2-CD1 4.07Å; V66-L127 HydrophobicContact CG2-CD2 3.45Å; V66-L127 VanDerWaalsContact CG2-CD2 3.45Å; V66-L127 HydrophobicContact CG2-CG 4.37Å; S123-L127 VanDerWaalsContact O-CG 3.27Å; S123-L127 WeakPolarHBondContact O-CG 3.36Å; S123-L127 PolarHBondContact O-N 2.98Å; H124-L127 WeakPolarHBondContact O-CB 3.44Å; H124-L127 PolarHBondContact O-N 3.47Å; H124-L127 VanDerWaalsContact O-N 3.1Å; D125-L127 VanDerWaalsContact C-N 3.33Å; D125-L127 PolarHBondContact O-N 3.4Å; L127-L130 HydrophobicContact CD2-CD1 4.22Å
128K63.9Low53.7Low104 Ų10470 Ų7045%0.45239%0.389SS..Hα-helixtrans-65.5-42.1171.2-158-179178.8-166.20110.3H124 D125 F126 L130 S131H124-K128 PolarHBondContact O-N 2.84Å; D125-K128 WeakPolarHBondContact O-CB 3.18Å; D125-K128 PolarHBondContact O-N 3.31Å; F126-K128 VanDerWaalsContact C-N 3.32Å; F126-K128 PolarHBondContact O-N 2.9Å; K128-L130 VanDerWaalsContact C-N 3.3Å; K128-L130 PolarHBondContact O-N 3.45Å; K128-S131 WeakPolarHBondContact O-CB 3.38Å; K128-S131 PolarHBondContact O-N 2.94Å; K128-S131 PolarHBondContact O-OG 3.44Å
129S64Low51.9Low65 Ų6571.9 Ų71.946%0.45541%0.406SS..Hα-helixtrans-64.3-28.6177.382.90000114D125 F126 S131D125-S129 WeakPolarHBondContact O-CB 3.47Å; D125-S129 PolarHBondContact O-N 3.42Å; F126-S129 WeakPolarHBondContact O-CB 3.27Å; F126-S129 PolarHBondContact O-N 2.88Å; F126-S129 PolarHBondContact O-OG 3.38Å; S129-S131 PolarHBondContact O-N 2.88Å
130L58.9Low50Low24 Ų2481.5 Ų81.513%0.12645%0.451CS..THydrogen-bonded Turntrans-70.57.1176.4-65.3-176.5000114K64 V91 Q95 F126 L127 K128K64-L130 HydrophobicContact CD-CB 4.43Å; K64-L130 PolarHBondContact NZ-O 3.5Å; V91-L130 HydrophobicContact CG1-CD1 4.04Å; Q95-L130 HydrophobicContact CB-CD1 4.31Å; Q95-L130 HydrophobicContact CG-CD1 4.4Å; Q95-L130 HydrophobicContact CG-CD2 3.89Å; F126-L130 HydrophobicContact CD1-CD1 4.25Å; F126-L130 HydrophobicContact CD1-CG 4.43Å; F126-L130 HydrophobicContact CE1-CD1 3.73Å; F126-L130 HydrophobicContact CE1-CD2 4.28Å; F126-L130 HydrophobicContact CE1-CG 4.07Å; F126-L130 HydrophobicContact CZ-CD1 4.37Å; F126-L130 HydrophobicContact CZ-CD2 4.12Å; F126-L130 HydrophobicContact CZ-CG 4.39Å; F126-L130 PolarHBondContact O-N 3.17Å; L127-L130 HydrophobicContact CD2-CD1 4.22Å; K128-L130 VanDerWaalsContact C-N 3.3Å; K128-L130 PolarHBondContact O-N 3.45Å
131S48.5Very low48.2Very low65 Ų6589.2 Ų89.246%0.45549%0.487SS..THydrogen-bonded Turntrans-88.2-17.9-177.371.40000114.9K128 S129K128-S131 WeakPolarHBondContact O-CB 3.38Å; K128-S131 PolarHBondContact O-N 2.94Å; K128-S131 PolarHBondContact O-OG 3.44Å; S129-S131 PolarHBondContact O-N 2.88Å
132T42.2Very low46.5Very low96 Ų9694.9 Ų94.959%0.58952%0.519SS*.SBendtrans-72.8128.1172.552.90000109.9I134T132-I134 PolarHBondContact O-N 2.81Å
133P34.7Very low44.6Very low113 Ų113101.3 Ų101.373%0.73455%0.549SS*.  trans-68.9122.7179.727.8-32.9000110.3V135P133-V135 VanDerWaalsContact C-N 3.34Å; P133-V135 PolarHBondContact O-N 2.88Å
134I33.7Very low43Very low144 Ų144108.7 Ų108.774%0.73859%0.589SS**  trans-76.491.5170.6-57.9174.6000107.1T132T132-I134 PolarHBondContact O-N 2.81Å
135V30.5Very low41.4Very low111 Ų111113 Ų11367%0.67361%0.613SS**  trans-77.8116.6169.5178.40000107.9P133P133-V135 VanDerWaalsContact C-N 3.34Å; P133-V135 PolarHBondContact O-N 2.88Å
136D26.9Very low39.7Very low134 Ų134123 Ų12372%0.71765%0.648SS**  trans48.293.3159.4-56.5-32.3000119.1
137C29.4Very low38.2Very low127 Ų127129.1 Ų129.186%0.85868%0.683SS**  trans-14192143.3-90.50000110.3T139C137-T139 PolarHBondContact O-N 3.13Å
138Q25.9Very low36.9Very low188 Ų188133.5 Ų133.588%0.87971%0.706SS**  trans-84.195.4167-70.5-175.9-2.400110.4
139T28.9Very low35.7Very low121 Ų121135 Ų13574%0.74272%0.72SS**  trans-171.5144.1148.722.90000112C137 Q141C137-T139 PolarHBondContact O-N 3.13Å; T139-Q141 PolarHBondContact O-N 2.91Å; T139-Q141 VanDerWaalsContact O-N 3.12Å
140Q27Very low34.6Very low206 Ų206136.9 Ų136.996%0.96372%0.724SS**THydrogen-bonded Turntrans-84.948.9-173.1-61.2179.8-87.400114.5
141Q29.9Very low33.6Very low168 Ų168140.4 Ų140.479%0.78574%0.743SS**THydrogen-bonded Turntrans-127.4-18-177.2-77.7-169-33.200118T139 L143T139-Q141 PolarHBondContact O-N 2.91Å; T139-Q141 VanDerWaalsContact O-N 3.12Å; Q141-L143 PolarHBondContact O-N 3.32Å
142D30.9Very low33.3Very low163 Ų163140.3 Ų140.387%0.87274%0.739SS**  trans-84.359.8179.5-69-48.7000114.1
143L28.9Very low33.3Very low160 Ų160138.3 Ų138.384%0.83873%0.729SS**  trans-105.956.2161.2-90.9168.2000110.1Q141Q141-L143 PolarHBondContact O-N 3.32Å
144N33.3Very low33.5Very low156 Ų156139 Ų13983%0.83472%0.721SS**  trans-133.477.2172.2-103.9-37.5000112.6R146N144-R146 PolarHBondContact O-N 3.32Å; N144-R146 VanDerWaalsContact O-N 3.13Å
145L33.2Very low33.8Very low161 Ų161137.1 Ų137.184%0.84371%0.711SS**  trans-45109163.6-68.5148.5000112
146R30.6Very low34.2Very low240 Ų240138.3 Ų138.391%0.90671%0.708SS**SBendtrans-171.3-30.6142.2-109162.6-168.3-143.6-1118.4N144N144-R146 PolarHBondContact O-N 3.32Å; N144-R146 VanDerWaalsContact O-N 3.13Å
147N35.8Very low34.9Very low164 Ų164137.6 Ų137.688%0.87770%0.701SS**  trans-129.567.2-170.6-72-18.5000112.8
148D38.5Very low35.3Very low94 Ų94134 Ų13450%0.50368%0.676SS.*  trans-118.594.4171.9-169-6.6000110.7N150 L151 V152D148-N150 PolarHBondContact O-N 3.47Å; D148-N150 VanDerWaalsContact O-N 3.16Å; D148-N150 VanDerWaalsContact OD1-CB 3.29Å; D148-N150 WeakPolarHBondContact OD1-CB 3.42Å; D148-N150 PolarHBondContact OD1-N 3.1Å; D148-L151 HydrophobicContact CB-CB 4.14Å; D148-L151 PolarHBondContact O-N 2.99Å; D148-V152 PolarHBondContact O-N 3.11Å
149D38.8Very low36Very low136 Ų136130.9 Ų130.973%0.72766%0.659SS**Hα-helixtrans-60.6-19.2176.7-81.1-47.2000112.8S153D149-S153 WeakPolarHBondContact O-CB 3.45Å; D149-S153 PolarHBondContact O-N 3.21Å; D149-S153 PolarHBondContact O-OG 2.99Å
150N39.8Very low36.5Very low103 Ų103134.1 Ų134.155%0.55166%0.658SS**Hα-helixtrans-77.1-30.8171.6-102-41.4000112.6D148 S153 K154D148-N150 PolarHBondContact O-N 3.47Å; D148-N150 VanDerWaalsContact O-N 3.16Å; D148-N150 VanDerWaalsContact OD1-CB 3.29Å; D148-N150 WeakPolarHBondContact OD1-CB 3.42Å; D148-N150 PolarHBondContact OD1-N 3.1Å; N150-S153 WeakPolarHBondContact CA-OG 3.41Å; N150-S153 PolarHBondContact O-OG 3.19Å; N150-K154 VanDerWaalsContact O-CB 3.3Å; N150-K154 WeakPolarHBondContact O-CB 3.35Å; N150-K154 VanDerWaalsContact O-CG 3.23Å; N150-K154 WeakPolarHBondContact O-CG 3.38Å; N150-K154 PolarHBondContact O-N 2.76Å
151L38.9Very low37.1Very low99 Ų99128.4 Ų128.452%0.51863%0.631SS.*Hα-helixtrans-74.8-37170.1-164.872.7000110.4D148 L155D148-L151 HydrophobicContact CB-CB 4.14Å; D148-L151 PolarHBondContact O-N 2.99Å; L151-L155 HydrophobicContact CD2-CD1 4.45Å; L151-L155 HydrophobicContact CG-CD1 4.09Å; L151-L155 WeakPolarHBondContact O-CB 3.35Å; L151-L155 WeakPolarHBondContact O-CG 3.4Å; L151-L155 PolarHBondContact O-N 2.81Å
152V42Very low37.5Very low62 Ų62124.4 Ų124.438%0.37661%0.614SS.*Hα-helixtrans-69.3-35.7173.7177.80000111.8D148 K156D148-V152 PolarHBondContact O-N 3.11Å; V152-K156 HydrophobicContact CG1-CD 4.13Å; V152-K156 HydrophobicContact CG1-CG 4.46Å; V152-K156 VanDerWaalsContact O-CB 3.26Å; V152-K156 WeakPolarHBondContact O-CB 3.45Å; V152-K156 VanDerWaalsContact O-CG 3.23Å; V152-K156 WeakPolarHBondContact O-CG 3.48Å; V152-K156 PolarHBondContact O-N 2.9Å
153S42.1Very low38.1Very low55 Ų55120.4 Ų120.439%0.38559%0.59SS.*Hα-helixtrans-70-42.6174.675.70000111.3D149 N150 K156 M157D149-S153 WeakPolarHBondContact O-CB 3.45Å; D149-S153 PolarHBondContact O-N 3.21Å; D149-S153 PolarHBondContact O-OG 2.99Å; N150-S153 WeakPolarHBondContact CA-OG 3.41Å; N150-S153 PolarHBondContact O-OG 3.19Å; S153-K156 CarbonylContact O-C 3.53Å; S153-K156 PolarHBondContact O-N 2.83Å; S153-M157 WeakPolarHBondContact O-CB 3.21Å; S153-M157 PolarHBondContact O-N 3.08Å
154K39.7Very low38.6Very low127 Ų127121 Ų12155%0.55258%0.582SS**Hα-helixtrans-66.4-39.5173.5-73.8172.6-177175.30112.4N150 K156 M157 V158N150-K154 VanDerWaalsContact O-CB 3.3Å; N150-K154 WeakPolarHBondContact O-CB 3.35Å; N150-K154 VanDerWaalsContact O-CG 3.23Å; N150-K154 WeakPolarHBondContact O-CG 3.38Å; N150-K154 PolarHBondContact O-N 2.76Å; K154-K156 VanDerWaalsContact C-N 3.34Å; K154-M157 PolarHBondContact O-N 2.98Å; K154-V158 WeakPolarHBondContact O-CB 3.27Å; K154-V158 WeakPolarHBondContact O-CG2 3.37Å; K154-V158 PolarHBondContact O-N 3.44Å
155L38.6Very low38.8Very low104 Ų104116.5 Ų116.555%0.54556%0.558SS.*Hα-helixtrans-70.6-27.1172-76.9169000112.3L151 K159L151-L155 HydrophobicContact CD2-CD1 4.45Å; L151-L155 HydrophobicContact CG-CD1 4.09Å; L151-L155 WeakPolarHBondContact O-CB 3.35Å; L151-L155 WeakPolarHBondContact O-CG 3.4Å; L151-L155 PolarHBondContact O-N 2.81Å; L155-K159 WeakPolarHBondContact O-CA 3.46Å; L155-K159 WeakPolarHBondContact O-CB 3.46Å; L155-K159 PolarHBondContact O-N 2.82Å
156K39.9Very low39.1Very low137 Ų137112.6 Ų112.660%0.59654%0.538SS*.Hα-helixtrans-74.2-29.3167.6-79.4172.5179.6174.70112.4V152 S153 K154 R160V152-K156 HydrophobicContact CG1-CD 4.13Å; V152-K156 HydrophobicContact CG1-CG 4.46Å; V152-K156 VanDerWaalsContact O-CB 3.26Å; V152-K156 WeakPolarHBondContact O-CB 3.45Å; V152-K156 VanDerWaalsContact O-CG 3.23Å; V152-K156 WeakPolarHBondContact O-CG 3.48Å; V152-K156 PolarHBondContact O-N 2.9Å; S153-K156 CarbonylContact O-C 3.53Å; S153-K156 PolarHBondContact O-N 2.83Å; K154-K156 VanDerWaalsContact C-N 3.34Å; K156-R160 VanDerWaalsContact O-CB 3.28Å; K156-R160 WeakPolarHBondContact O-CB 3.22Å; K156-R160 WeakPolarHBondContact O-CG 3.31Å; K156-R160 PolarHBondContact O-N 2.85Å
157M40.3Very low39.5Very low118 Ų118107.4 Ų107.458%0.58152%0.524SS*.Hα-helixtrans-77.2-40.2175.5-151.7-179.191.700111.1S153 K154 R160 E161S153-M157 WeakPolarHBondContact O-CB 3.21Å; S153-M157 PolarHBondContact O-N 3.08Å; K154-M157 PolarHBondContact O-N 2.98Å; M157-R160 CarbonylContact O-C 3.55Å; M157-R160 PolarHBondContact O-N 2.84Å; M157-E161 PolarHBondContact O-N 2.62Å
158V38Very low39.5Very low52 Ų52101.6 Ų101.632%0.31550%0.499SS..Hα-helixtrans-71.5-34.9170.4172.40000110.9K154 R160 E161 I162K154-V158 WeakPolarHBondContact O-CB 3.27Å; K154-V158 WeakPolarHBondContact O-CG2 3.37Å; K154-V158 PolarHBondContact O-N 3.44Å; V158-R160 VanDerWaalsContact C-N 3.33Å; V158-E161 PolarHBondContact O-N 3.32Å; V158-I162 HydrophobicContact CG1-CD1 3.73Å; V158-I162 HydrophobicContact CG1-CG1 4.28Å; V158-I162 VanDerWaalsContact O-CB 3.23Å; V158-I162 WeakPolarHBondContact O-CB 3.39Å; V158-I162 WeakPolarHBondContact O-CG1 3.46Å; V158-I162 PolarHBondContact O-N 3.17Å
159K40.6Very low39.4Very low123 Ų12398.5 Ų98.554%0.53548%0.482SS..Hα-helixtrans-67.3-33.6169.6-171.2175.9-168.4-75.20111.2L155 I162 E163L155-K159 WeakPolarHBondContact O-CA 3.46Å; L155-K159 WeakPolarHBondContact O-CB 3.46Å; L155-K159 PolarHBondContact O-N 2.82Å; K159-I162 CarbonylContact O-C 3.6Å; K159-E163 HydrophobicContact CG-CG 4.33Å; K159-E163 IonicContact NZ-OE1 3.85Å; K159-E163 PolarHBondContact NZ-OE1 3.39Å; K159-E163 WeakPolarHBondContact O-CA 3.16Å; K159-E163 WeakPolarHBondContact O-CB 3.2Å; K159-E163 WeakPolarHBondContact O-CG 3.17Å; K159-E163 PolarHBondContact O-N 3.34Å
160R40.5Very low39.4Very low188 Ų18897.2 Ų97.271%0.70947%0.471SS*.Hα-helixtrans-72.2-38169.9-87.2-176.8172.1176.5-3.3113.7K156 M157 V158 E163 Y164K156-R160 VanDerWaalsContact O-CB 3.28Å; K156-R160 WeakPolarHBondContact O-CB 3.22Å; K156-R160 WeakPolarHBondContact O-CG 3.31Å; K156-R160 PolarHBondContact O-N 2.85Å; M157-R160 CarbonylContact O-C 3.55Å; M157-R160 PolarHBondContact O-N 2.84Å; V158-R160 VanDerWaalsContact C-N 3.33Å; R160-E163 PolarHBondContact O-N 2.88Å; R160-Y164 WeakPolarHBondContact O-CB 3.23Å; R160-Y164 PolarHBondContact O-N 3.26Å
161E39.3Very low39.3Very low87 Ų8799.1 Ų99.141%0.40747%0.471SS..Hα-helixtrans-69.5-35.6172.8-76.4-164.8159.900110.6M157 V158 Y164 I165M157-E161 PolarHBondContact O-N 2.62Å; V158-E161 PolarHBondContact O-N 3.32Å; E161-Y164 CarbonylContact O-C 3.55Å; E161-Y164 PolarHBondContact O-N 3.14Å; E161-I165 WeakPolarHBondContact O-CA 3.43Å; E161-I165 WeakPolarHBondContact O-CB 3.33Å; E161-I165 WeakPolarHBondContact O-CD1 3.32Å; E161-I165 WeakPolarHBondContact O-CG1 3.31Å; E161-I165 PolarHBondContact O-N 2.7Å
162I38.7Very low38.9Very low83 Ų83101.5 Ų101.543%0.42647%0.473SS..Hα-helixtrans-71-37170.9-69.3169.2000111.1V158 K159 Y164 I165 D166V158-I162 HydrophobicContact CG1-CD1 3.73Å; V158-I162 HydrophobicContact CG1-CG1 4.28Å; V158-I162 VanDerWaalsContact O-CB 3.23Å; V158-I162 WeakPolarHBondContact O-CB 3.39Å; V158-I162 WeakPolarHBondContact O-CG1 3.46Å; V158-I162 PolarHBondContact O-N 3.17Å; K159-I162 CarbonylContact O-C 3.6Å; I162-Y164 VanDerWaalsContact C-N 3.32Å; I162-I165 PolarHBondContact O-N 2.87Å; I162-D166 WeakPolarHBondContact O-CA 3.45Å; I162-D166 WeakPolarHBondContact O-CB 3.3Å; I162-D166 PolarHBondContact O-N 2.82Å
163E41.8Very low38.6Very low79 Ų79104.2 Ų104.237%0.36949%0.485SS..Hα-helixtrans-69.2-30.5172.4-77.5160.216700111.1K159 R160 E167K159-E163 HydrophobicContact CG-CG 4.33Å; K159-E163 IonicContact NZ-OE1 3.85Å; K159-E163 PolarHBondContact NZ-OE1 3.39Å; K159-E163 WeakPolarHBondContact O-CA 3.16Å; K159-E163 WeakPolarHBondContact O-CB 3.2Å; K159-E163 WeakPolarHBondContact O-CG 3.17Å; K159-E163 PolarHBondContact O-N 3.34Å; R160-E163 PolarHBondContact O-N 2.88Å; E163-E167 WeakPolarHBondContact O-CA 3.4Å; E163-E167 WeakPolarHBondContact O-CB 3.47Å; E163-E167 WeakPolarHBondContact O-CG 3.2Å; E163-E167 PolarHBondContact O-N 3.43Å
164Y39.6Very low38.4Very low173 Ų173105.3 Ų105.368%0.67849%0.493SS*.Hα-helixtrans-83.6-26.7175.8-162.5-93.7000112.4R160 E161 I162 A168R160-Y164 WeakPolarHBondContact O-CB 3.23Å; R160-Y164 PolarHBondContact O-N 3.26Å; E161-Y164 CarbonylContact O-C 3.55Å; E161-Y164 PolarHBondContact O-N 3.14Å; I162-Y164 VanDerWaalsContact C-N 3.32Å; Y164-A168 WeakPolarHBondContact O-CB 3.42Å; Y164-A168 PolarHBondContact O-N 3.4Å
165I37.6Very low38.1Very low62 Ų6299.7 Ų99.732%0.31847%0.468SS..Hα-helixtrans-80.5-37.8172-74.7166000109.8E161 I162 A168 I169E161-I165 WeakPolarHBondContact O-CA 3.43Å; E161-I165 WeakPolarHBondContact O-CB 3.33Å; E161-I165 WeakPolarHBondContact O-CD1 3.32Å; E161-I165 WeakPolarHBondContact O-CG1 3.31Å; E161-I165 PolarHBondContact O-N 2.7Å; I162-I165 PolarHBondContact O-N 2.87Å; I165-A168 CarbonylContact O-C 3.6Å; I165-A168 PolarHBondContact O-N 2.98Å; I165-I169 HydrophobicContact CG2-CD1 3.43Å; I165-I169 VanDerWaalsContact CG2-CD1 3.43Å; I165-I169 HydrophobicContact CG2-CG1 4.3Å; I165-I169 WeakPolarHBondContact O-CA 3.46Å; I165-I169 WeakPolarHBondContact O-CB 3.49Å; I165-I169 VanDerWaalsContact O-CD1 3.31Å; I165-I169 WeakPolarHBondContact O-CD1 3.23Å; I165-I169 WeakPolarHBondContact O-CG1 3.47Å; I165-I169 PolarHBondContact O-N 3.26Å
166D39.2Very low38Very low79 Ų79100.1 Ų100.142%0.42247%0.471SS..Hα-helixtrans-72.2-37.9169.7-168.139.7000110.4I162 A168 I169 Q170I162-D166 WeakPolarHBondContact O-CA 3.45Å; I162-D166 WeakPolarHBondContact O-CB 3.3Å; I162-D166 PolarHBondContact O-N 2.82Å; D166-A168 VanDerWaalsContact C-N 3.32Å; D166-A168 PolarHBondContact O-N 3.35Å; D166-I169 CarbonylContact O-C 3.59Å; D166-I169 PolarHBondContact O-N 3.02Å; D166-Q170 WeakPolarHBondContact O-CA 3.48Å; D166-Q170 WeakPolarHBondContact O-CB 3.41Å; D166-Q170 WeakPolarHBondContact O-CG 3.37Å; D166-Q170 PolarHBondContact O-N 3.4Å
167E38.7Very low37.9Very low131 Ų131100.3 Ų100.361%0.61248%0.479SS*.Hα-helixtrans-61.9-41.5165.7-82.8174-174.600110.5E163 I169 W171E163-E167 WeakPolarHBondContact O-CA 3.4Å; E163-E167 WeakPolarHBondContact O-CB 3.47Å; E163-E167 WeakPolarHBondContact O-CG 3.2Å; E163-E167 PolarHBondContact O-N 3.43Å; E167-I169 VanDerWaalsContact C-N 3.32Å; E167-I169 PolarHBondContact O-N 3.22Å; E167-W171 WeakPolarHBondContact O-CA 3.46Å; E167-W171 WeakPolarHBondContact O-CB 3.35Å; E167-W171 PolarHBondContact O-N 3.44Å
168A36.8Very low38Very low42 Ų4298.6 Ų98.635%0.34748%0.479SS..Hα-helixtrans-72.1-20.7175.700000113.9Y164 I165 D166 R172Y164-A168 WeakPolarHBondContact O-CB 3.42Å; Y164-A168 PolarHBondContact O-N 3.4Å; I165-A168 CarbonylContact O-C 3.6Å; I165-A168 PolarHBondContact O-N 2.98Å; D166-A168 VanDerWaalsContact C-N 3.32Å; D166-A168 PolarHBondContact O-N 3.35Å; A168-R172 WeakPolarHBondContact O-CB 3.43Å; A168-R172 PolarHBondContact O-N 3.11Å
169I37.1Very low38Very low28 Ų2898.7 Ų98.714%0.14448%0.476CS..Hα-helixtrans-93.5-43.5179-76.4162.1000110.6K117 I165 D166 E167 W171 R172 L173K117-I169 VanDerWaalsContact NZ-CD1 3.27Å; I165-I169 HydrophobicContact CG2-CD1 3.43Å; I165-I169 VanDerWaalsContact CG2-CD1 3.43Å; I165-I169 HydrophobicContact CG2-CG1 4.3Å; I165-I169 WeakPolarHBondContact O-CA 3.46Å; I165-I169 WeakPolarHBondContact O-CB 3.49Å; I165-I169 VanDerWaalsContact O-CD1 3.31Å; I165-I169 WeakPolarHBondContact O-CD1 3.23Å; I165-I169 WeakPolarHBondContact O-CG1 3.47Å; I165-I169 PolarHBondContact O-N 3.26Å; D166-I169 CarbonylContact O-C 3.59Å; D166-I169 PolarHBondContact O-N 3.02Å; E167-I169 VanDerWaalsContact C-N 3.32Å; E167-I169 PolarHBondContact O-N 3.22Å; I169-W171 PolarHBondContact O-N 3.24Å; I169-R172 CarbonylContact O-C 3.55Å; I169-R172 VanDerWaalsContact O-CA 3.3Å; I169-R172 WeakPolarHBondContact O-CA 3.48Å; I169-R172 PolarHBondContact O-N 3.33Å; I169-L173 HydrophobicContact CG2-CD1 3.55Å; I169-L173 HydrophobicContact CG2-CG 4.06Å; I169-L173 WeakPolarHBondContact O-CB 3.31Å; I169-L173 WeakPolarHBondContact O-CG 3.47Å; I169-L173 PolarHBondContact O-N 2.97Å
170Q37.8Very low38Very low110 Ų11095.1 Ų95.151%0.51446%0.462SS..Hα-helixtrans-56.8-41.3163.1-67-64.5-22.500109.6D166 L173 S174D166-Q170 WeakPolarHBondContact O-CA 3.48Å; D166-Q170 WeakPolarHBondContact O-CB 3.41Å; D166-Q170 WeakPolarHBondContact O-CG 3.37Å; D166-Q170 PolarHBondContact O-N 3.4Å; Q170-L173 PolarHBondContact O-N 3.41Å; Q170-S174 WeakPolarHBondContact O-CB 3.45Å; Q170-S174 PolarHBondContact O-N 3.33Å; Q170-S174 PolarHBondContact O-OG 3.21Å
171W37.1Very low38.3Very low142 Ų14291.3 Ų91.354%0.53845%0.452SS..Hα-helixtrans-58.7-51.4166-168.274.4000109.2E167 I169 L173 S174 L175E167-W171 WeakPolarHBondContact O-CA 3.46Å; E167-W171 WeakPolarHBondContact O-CB 3.35Å; E167-W171 PolarHBondContact O-N 3.44Å; I169-W171 PolarHBondContact O-N 3.24Å; W171-L173 VanDerWaalsContact C-N 3.26Å; W171-L173 PolarHBondContact O-N 2.84Å; W171-L173 VanDerWaalsContact O-N 3.14Å; W171-S174 PolarHBondContact O-N 3.39Å; W171-S174 PolarHBondContact O-OG 2.93Å; W171-L175 HydrophobicContact CD2-CD1 3.66Å; W171-L175 HydrophobicContact CD2-CG 4.29Å; W171-L175 HydrophobicContact CE3-CD1 3.47Å; W171-L175 VanDerWaalsContact CE3-CD1 3.47Å; W171-L175 HydrophobicContact CG-CD1 4.27Å; W171-L175 HydrophobicContact CH2-CD1 4.29Å; W171-L175 HydrophobicContact CZ2-CD1 4.44Å; W171-L175 HydrophobicContact CZ3-CD1 3.8Å; W171-L175 WeakPolarHBondContact O-CA 3.34Å; W171-L175 WeakPolarHBondContact O-CB 3.26Å; W171-L175 WeakPolarHBondContact O-CD1 3.14Å; W171-L175 WeakPolarHBondContact O-CG 3.44Å; W171-L175 PolarHBondContact O-N 3.11Å
172R32.2Very low38.5Very low149 Ų14987.5 Ų87.556%0.56244%0.436SS*.Hα-helixtrans-74.14.7179.6-148.2160.9-168140.61.5117.9A168 I169 L175 I180A168-R172 WeakPolarHBondContact O-CB 3.43Å; A168-R172 PolarHBondContact O-N 3.11Å; I169-R172 CarbonylContact O-C 3.55Å; I169-R172 VanDerWaalsContact O-CA 3.3Å; I169-R172 WeakPolarHBondContact O-CA 3.48Å; I169-R172 PolarHBondContact O-N 3.33Å; R172-L175 HydrophobicContact CB-CD1 4.48Å; R172-L175 HydrophobicContact CG-CD1 4.43Å; R172-I180 HydrophobicContact CG-CD1 3.54Å; R172-I180 HydrophobicContact CG-CG1 4.31Å
173L35Very low38.7Very low120 Ų12086.8 Ų86.863%0.62843%0.43SS*.Hα-helixtrans-123.6-24176.4-68.7174.6000111.6I169 Q170 W171I169-L173 HydrophobicContact CG2-CD1 3.55Å; I169-L173 HydrophobicContact CG2-CG 4.06Å; I169-L173 WeakPolarHBondContact O-CB 3.31Å; I169-L173 WeakPolarHBondContact O-CG 3.47Å; I169-L173 PolarHBondContact O-N 2.97Å; Q170-L173 PolarHBondContact O-N 3.41Å; W171-L173 VanDerWaalsContact C-N 3.26Å; W171-L173 PolarHBondContact O-N 2.84Å; W171-L173 VanDerWaalsContact O-N 3.14Å
174S38.8Very low38.9Very low78 Ų7890.5 Ų90.555%0.54545%0.445SS..Hα-helixtrans-81.2-28.2162.160.90000111.9Q170 W171 N176Q170-S174 WeakPolarHBondContact O-CB 3.45Å; Q170-S174 PolarHBondContact O-N 3.33Å; Q170-S174 PolarHBondContact O-OG 3.21Å; W171-S174 PolarHBondContact O-N 3.39Å; W171-S174 PolarHBondContact O-OG 2.93Å; S174-N176 PolarHBondContact O-N 2.99Å
175L32.5Very low39.4Very low8 Ų883.7 Ų83.74%0.04242%0.419CS..SBendtrans-60.586.7152.6-68.3170.4000106.8W171 R172 E179 I180W171-L175 HydrophobicContact CD2-CD1 3.66Å; W171-L175 HydrophobicContact CD2-CG 4.29Å; W171-L175 HydrophobicContact CE3-CD1 3.47Å; W171-L175 VanDerWaalsContact CE3-CD1 3.47Å; W171-L175 HydrophobicContact CG-CD1 4.27Å; W171-L175 HydrophobicContact CH2-CD1 4.29Å; W171-L175 HydrophobicContact CZ2-CD1 4.44Å; W171-L175 HydrophobicContact CZ3-CD1 3.8Å; W171-L175 WeakPolarHBondContact O-CA 3.34Å; W171-L175 WeakPolarHBondContact O-CB 3.26Å; W171-L175 WeakPolarHBondContact O-CD1 3.14Å; W171-L175 WeakPolarHBondContact O-CG 3.44Å; W171-L175 PolarHBondContact O-N 3.11Å; R172-L175 HydrophobicContact CB-CD1 4.48Å; R172-L175 HydrophobicContact CG-CD1 4.43Å; L175-E179 HydrophobicContact CB-CB 4.18Å; L175-E179 HydrophobicContact CD2-CB 3.56Å; L175-E179 HydrophobicContact CD2-CG 3.58Å; L175-E179 VanDerWaalsContact CD2-OE1 3.24Å; L175-E179 WeakPolarHBondContact CD2-OE1 3.41Å; L175-E179 WeakPolarHBondContact CD2-OE2 3.47Å; L175-E179 HydrophobicContact CG-CB 4.48Å; L175-I180 HydrophobicContact CB-CG1 4.16Å; L175-I180 HydrophobicContact CD1-CG1 4.19Å
176N35.5Very low39.7Very low113 Ų11380.8 Ų80.860%0.60440%0.404SS*.  trans-42.5149.2158.2-73.1-50.6000108.9S174 S178 E179S174-N176 PolarHBondContact O-N 2.99Å; N176-S178 WeakPolarHBondContact CB-OG 3.48Å; N176-S178 PolarHBondContact O-N 3.01Å; N176-E179 WeakPolarHBondContact O-CB 3.44Å; N176-E179 PolarHBondContact O-N 3.4Å
177D37.9Very low40.1Very low141 Ų14183.2 Ų83.275%0.75441%0.409SS*.Hα-helixtrans-49.4-35-176.8-78.7-52.4000113.2E179 I180 E181D177-E179 PolarHBondContact O-N 2.78Å; D177-I180 PolarHBondContact O-N 3.36Å; D177-E181 WeakPolarHBondContact O-CB 3.22Å; D177-E181 PolarHBondContact O-N 3.46Å
178S43.3Very low40.6Very low83 Ų8382.6 Ų82.658%0.5841%0.406SS*.Hα-helixtrans-50.3-25.617255.30000115.5N176 G182N176-S178 WeakPolarHBondContact CB-OG 3.48Å; N176-S178 PolarHBondContact O-N 3.01Å; S178-G182 WeakPolarHBondContact O-CA 3.47Å; S178-G182 PolarHBondContact O-N 2.84Å
179E37.9Very low41.1Very low54 Ų5481.2 Ų81.225%0.25239%0.392SS..Hα-helixtrans-100.1-25.6-171.2-142.4-169138.200113.1L175 N176 D177 K183 Y338L175-E179 HydrophobicContact CB-CB 4.18Å; L175-E179 HydrophobicContact CD2-CB 3.56Å; L175-E179 HydrophobicContact CD2-CG 3.58Å; L175-E179 VanDerWaalsContact CD2-OE1 3.24Å; L175-E179 WeakPolarHBondContact CD2-OE1 3.41Å; L175-E179 WeakPolarHBondContact CD2-OE2 3.47Å; L175-E179 HydrophobicContact CG-CB 4.48Å; N176-E179 WeakPolarHBondContact O-CB 3.44Å; N176-E179 PolarHBondContact O-N 3.4Å; D177-E179 PolarHBondContact O-N 2.78Å; E179-K183 WeakPolarHBondContact O-CG 3.43Å; E179-K183 PolarHBondContact O-N 3.35Å; E179-K183 VanDerWaalsContact O-N 3.15Å; E179-K183 IonicContact OE1-NZ 3.77Å; E179-K183 PolarHBondContact OE1-NZ 3.33Å; E179-Y338 HydrophobicContact CG-CE2 4.24Å; E179-Y338 WeakPolarHBondContact CG-OH 3.48Å; E179-Y338 PolarHBondContact OE1-OH 3.42Å
180I40.7Very low41.6Very low48 Ų4880 Ų8025%0.24639%0.386CS..Hα-helixtrans-73.2-45.6163.4-60.2173.5000109.3R172 L175 D177 G182 K183 K184R172-I180 HydrophobicContact CG-CD1 3.54Å; R172-I180 HydrophobicContact CG-CG1 4.31Å; L175-I180 HydrophobicContact CB-CG1 4.16Å; L175-I180 HydrophobicContact CD1-CG1 4.19Å; D177-I180 PolarHBondContact O-N 3.36Å; I180-G182 VanDerWaalsContact C-N 3.32Å; I180-K183 PolarHBondContact O-N 3.15Å; I180-K184 PolarHBondContact O-N 3.23Å; I180-K184 VanDerWaalsContact O-N 3.08Å
181E47.2Very low42.3Very low108 Ų10879.4 Ų79.451%0.50538%0.383SS..Hα-helixtrans-59.9-46173.2-159.8169.5-109.500109.5D177 K183 K184 E185 K249D177-E181 WeakPolarHBondContact O-CB 3.22Å; D177-E181 PolarHBondContact O-N 3.46Å; E181-K183 VanDerWaalsContact C-N 3.3Å; E181-K183 PolarHBondContact O-N 3.22Å; E181-K184 PolarHBondContact O-N 3.37Å; E181-E185 WeakPolarHBondContact O-CB 3.28Å; E181-E185 WeakPolarHBondContact O-CG 3.36Å; E181-E185 PolarHBondContact O-N 3.39Å; E181-K249 IonicContact OE2-NZ 3.56Å
182G42.9Very low43Very low7 Ų774.4 Ų74.47%0.07237%0.367CS..Hα-helixtrans-56.2-33.6174.400000115.2S178 I180 A186S178-G182 WeakPolarHBondContact O-CA 3.47Å; S178-G182 PolarHBondContact O-N 2.84Å; I180-G182 VanDerWaalsContact C-N 3.32Å; G182-A186 WeakPolarHBondContact O-CB 3.41Å; G182-A186 PolarHBondContact O-N 3.34Å
183K42.3Very low44Very low67 Ų6767.7 Ų67.729%0.29134%0.342SS..Hα-helixtrans-81.5-35.5176.4-79.3166.5-178.7143.60113.5E179 I180 E181 A186 Y187E179-K183 WeakPolarHBondContact O-CG 3.43Å; E179-K183 PolarHBondContact O-N 3.35Å; E179-K183 VanDerWaalsContact O-N 3.15Å; E179-K183 IonicContact OE1-NZ 3.77Å; E179-K183 PolarHBondContact OE1-NZ 3.33Å; I180-K183 PolarHBondContact O-N 3.15Å; E181-K183 VanDerWaalsContact C-N 3.3Å; E181-K183 PolarHBondContact O-N 3.22Å; K183-A186 PolarHBondContact O-N 3.05Å; K183-Y187 PolarHBondContact O-N 2.73Å; K183-Y187 VanDerWaalsContact O-N 3.14Å
184K46.7Very low44.5Very low158 Ų15863.3 Ų63.369%0.68732%0.321SS*.Hα-helixtrans-63.8-45.7168.6-91.6-175.3171.3-178.10111.2I180 E181 Y187 Q188I180-K184 PolarHBondContact O-N 3.23Å; I180-K184 VanDerWaalsContact O-N 3.08Å; E181-K184 PolarHBondContact O-N 3.37Å; K184-Y187 WeakPolarHBondContact O-CB 3.43Å; K184-Y187 PolarHBondContact O-N 2.95Å; K184-Q188 PolarHBondContact O-N 2.97Å
185E49.7Very low44.8Very low30 Ų3064.9 Ų64.914%0.1432%0.32CS..Hα-helixtrans-65.3-36.4176-72.5-175.4-17400112E181 Y187 Q188 L189 K249 R341E181-E185 WeakPolarHBondContact O-CB 3.28Å; E181-E185 WeakPolarHBondContact O-CG 3.36Å; E181-E185 PolarHBondContact O-N 3.39Å; E185-Y187 VanDerWaalsContact C-N 3.3Å; E185-Y187 PolarHBondContact O-N 3.13Å; E185-Q188 PolarHBondContact O-N 3.5Å; E185-L189 WeakPolarHBondContact O-CB 3.23Å; E185-L189 VanDerWaalsContact O-CG 3.24Å; E185-L189 WeakPolarHBondContact O-CG 3.26Å; E185-L189 PolarHBondContact O-N 2.68Å; E185-K249 VanDerWaalsContact CD-CE 3.47Å; E185-K249 WeakPolarHBondContact OE1-CE 3.11Å; E185-K249 IonicContact OE1-NZ 2.77Å; E185-K249 PolarHBondContact OE1-NZ 2.97Å; E185-K249 WeakPolarHBondContact OE2-CE 3.45Å; E185-R341 IonicContact OE2-CZ 2.71Å; E185-R341 IonicContact OE2-NH1 3.51Å; E185-R341 PolarHBondContact OE2-NH1 3.38Å; E185-R341 IonicContact OE2-NH2 3.51Å; E185-R341 PolarHBondContact OE2-NH2 2.81Å
186A43.8Very low45.3Very low0 Ų067.9 Ų67.90%034%0.341CS..Hα-helixtrans-64.7-33.9174.300000112.3G182 K183 S190 T334G182-A186 WeakPolarHBondContact O-CB 3.41Å; G182-A186 PolarHBondContact O-N 3.34Å; K183-A186 PolarHBondContact O-N 3.05Å; A186-S190 WeakPolarHBondContact O-CB 3.49Å; A186-S190 PolarHBondContact O-N 3.18Å; A186-T334 HydrophobicContact CB-CG2 3.71Å
187Y48.1Very low45.4Very low131 Ų13169.6 Ų69.651%0.51435%0.346SS..Hα-helixtrans-69.5-47.7174.1-161.2-83.2000111.4K183 K184 E185 L189 S190 E191K183-Y187 PolarHBondContact O-N 2.73Å; K183-Y187 VanDerWaalsContact O-N 3.14Å; K184-Y187 WeakPolarHBondContact O-CB 3.43Å; K184-Y187 PolarHBondContact O-N 2.95Å; E185-Y187 VanDerWaalsContact C-N 3.3Å; E185-Y187 PolarHBondContact O-N 3.13Å; Y187-L189 VanDerWaalsContact C-N 3.31Å; Y187-L189 PolarHBondContact O-N 2.72Å; Y187-S190 PolarHBondContact O-N 2.98Å; Y187-S190 VanDerWaalsContact O-N 3.11Å; Y187-S190 PolarHBondContact O-OG 3.31Å; Y187-E191 PolarHBondContact O-N 3.05Å
188Q50Low45.2Very low118 Ų11868.6 Ų68.655%0.55134%0.344SS*.Hα-helixtrans-61.2-38.1173.8-71.9180-41.200112.3K184 E185 E191 I192K184-Q188 PolarHBondContact O-N 2.97Å; E185-Q188 PolarHBondContact O-N 3.5Å; Q188-E191 PolarHBondContact O-N 3.19Å; Q188-I192 VanDerWaalsContact O-CG1 3.29Å; Q188-I192 WeakPolarHBondContact O-CG1 3.4Å; Q188-I192 PolarHBondContact O-N 3.37Å
189L46.9Very low44.7Very low12 Ų1268.9 Ų68.96%0.06334%0.336CS..Hα-helixtrans-66.9-39173.4-78.2167.9000111.5E185 Y187 E191 I192 F193 Y245 R341E185-L189 WeakPolarHBondContact O-CB 3.23Å; E185-L189 VanDerWaalsContact O-CG 3.24Å; E185-L189 WeakPolarHBondContact O-CG 3.26Å; E185-L189 PolarHBondContact O-N 2.68Å; Y187-L189 VanDerWaalsContact C-N 3.31Å; Y187-L189 PolarHBondContact O-N 2.72Å; L189-E191 VanDerWaalsContact C-N 3.31Å; L189-E191 PolarHBondContact O-N 3.28Å; L189-I192 CarbonylContact O-C 3.56Å; L189-I192 PolarHBondContact O-N 3.29Å; L189-F193 HydrophobicContact CB-CD2 4.18Å; L189-F193 HydrophobicContact CB-CE2 4.05Å; L189-F193 WeakPolarHBondContact O-CB 3.5Å; L189-F193 WeakPolarHBondContact O-CD2 3.43Å; L189-F193 WeakPolarHBondContact O-CG 3.32Å; L189-F193 PolarHBondContact O-N 2.7Å; L189-Y245 HydrophobicContact CD2-CD1 3.77Å; L189-Y245 HydrophobicContact CD2-CG 4.46Å; L189-R341 VanDerWaalsContact CD1-CZ 3.44Å; L189-R341 VanDerWaalsContact CD1-NE 3.26Å
190S48.3Very low44.3Very low3 Ų378.1 Ų78.12%0.02137%0.369CS..Hα-helixtrans-64.2-34.5175.374.10000112.4A186 Y187 C194 T334A186-S190 WeakPolarHBondContact O-CB 3.49Å; A186-S190 PolarHBondContact O-N 3.18Å; Y187-S190 PolarHBondContact O-N 2.98Å; Y187-S190 VanDerWaalsContact O-N 3.11Å; Y187-S190 PolarHBondContact O-OG 3.31Å; S190-C194 PolarHBondContact O-N 3Å; S190-C194 PolarHBondContact O-SG 3.02Å; S190-T334 WeakPolarHBondContact CB-OG1 3.23Å; S190-T334 PolarHBondContact OG-OG1 3.39Å
191E51.7Low43.6Very low97 Ų9781.8 Ų81.845%0.45339%0.388SS..Hα-helixtrans-63.3-49168-74.4-174.3128.400111.5Y187 Q188 L189 F193 C194 Q195Y187-E191 PolarHBondContact O-N 3.05Å; Q188-E191 PolarHBondContact O-N 3.19Å; L189-E191 VanDerWaalsContact C-N 3.31Å; L189-E191 PolarHBondContact O-N 3.28Å; E191-F193 VanDerWaalsContact C-N 3.34Å; E191-F193 PolarHBondContact O-N 3.22Å; E191-C194 CarbonylContact O-C 3.46Å; E191-C194 PolarHBondContact O-N 3.39Å; E191-Q195 WeakPolarHBondContact O-CG 3.41Å; E191-Q195 PolarHBondContact O-N 3.39Å
192I50.9Low42.7Very low38 Ų3882.4 Ų82.420%0.19540%0.395CS..Hα-helixtrans-63.9-37.1179.4-61.9163.2000111.8Q188 L189 C194 Q195 Y245 L248 F254Q188-I192 VanDerWaalsContact O-CG1 3.29Å; Q188-I192 WeakPolarHBondContact O-CG1 3.4Å; Q188-I192 PolarHBondContact O-N 3.37Å; L189-I192 CarbonylContact O-C 3.56Å; L189-I192 PolarHBondContact O-N 3.29Å; I192-C194 PolarHBondContact O-N 3.16Å; I192-Q195 PolarHBondContact O-N 2.87Å; I192-Y245 HydrophobicContact CG2-CE1 4.01Å; I192-L248 HydrophobicContact CG2-CD1 4.27Å; I192-F254 HydrophobicContact CG2-CD2 4.31Å
193F53.1Low42Very low8 Ų888.8 Ų88.84%0.03543%0.433CS..Hα-helixtrans-66.3-18.6173.7-78-59.6000113.1L189 E191 L242 Y245 A337 V354L189-F193 HydrophobicContact CB-CD2 4.18Å; L189-F193 HydrophobicContact CB-CE2 4.05Å; L189-F193 WeakPolarHBondContact O-CB 3.5Å; L189-F193 WeakPolarHBondContact O-CD2 3.43Å; L189-F193 WeakPolarHBondContact O-CG 3.32Å; L189-F193 PolarHBondContact O-N 2.7Å; E191-F193 VanDerWaalsContact C-N 3.34Å; E191-F193 PolarHBondContact O-N 3.22Å; F193-L242 HydrophobicContact CZ-CD1 4.14Å; F193-Y245 AromaticContact CD1-CE1 3.87Å; F193-Y245 HydrophobicContact CD1-CE1 3.87Å; F193-Y245 HydrophobicContact CD1-CE2 4.27Å; F193-Y245 AromaticContact CD1-CZ 3.66Å; F193-Y245 HydrophobicContact CE1-CD1 4.03Å; F193-Y245 AromaticContact CE1-CD2 3.96Å; F193-Y245 HydrophobicContact CE1-CD2 3.96Å; F193-Y245 AromaticContact CE1-CE1 3.61Å; F193-Y245 HydrophobicContact CE1-CE1 3.61Å; F193-Y245 AromaticContact CE1-CE2 3.5Å; F193-Y245 HydrophobicContact CE1-CE2 3.5Å; F193-Y245 HydrophobicContact CE1-CG 4.2Å; F193-Y245 AromaticContact CE1-CZ 3.32Å; F193-Y245 AromaticContact CZ-CD1 4Å; F193-Y245 HydrophobicContact CZ-CD1 4Å; F193-Y245 HydrophobicContact CZ-CD2 4.16Å; F193-Y245 HydrophobicContact CZ-CE1 4.03Å; F193-Y245 HydrophobicContact CZ-CE2 4.16Å; F193-Y245 HydrophobicContact CZ-CG 4.07Å; F193-A337 HydrophobicContact CD2-CB 4.26Å; F193-A337 HydrophobicContact CE2-CB 3.77Å; F193-V354 HydrophobicContact CE1-CB 4.42Å; F193-V354 WeakPolarHBondContact CE1-O 3.09Å
194C46.5Very low41.2Very low28 Ų2894.4 Ų94.419%0.18946%0.46CS..Hα-helixtrans-103.4-10.7177.1-62.10000113.9S190 E191 I192 R358S190-C194 PolarHBondContact O-N 3Å; S190-C194 PolarHBondContact O-SG 3.02Å; E191-C194 CarbonylContact O-C 3.46Å; E191-C194 PolarHBondContact O-N 3.39Å; I192-C194 PolarHBondContact O-N 3.16Å; C194-R358 PolarHBondContact SG-NH2 3.35Å
195Q43.9Very low40.1Very low111 Ų11191.5 Ų91.552%0.51946%0.46SS..  trans-90.413.4-178.2-78.4-179.24.500114.6E191 I192 E197E191-Q195 WeakPolarHBondContact O-CG 3.41Å; E191-Q195 PolarHBondContact O-N 3.39Å; I192-Q195 PolarHBondContact O-N 2.87Å; Q195-E197 PolarHBondContact O-N 3.3Å; Q195-E197 VanDerWaalsContact O-N 3.17Å
196S44.1Very low38.9Very low70 Ų7096.7 Ų96.749%0.4949%0.488SS..G310 helixtrans-69.7-5.2179.2540000115.1V198S196-V198 PolarHBondContact O-N 3.23Å
197E36.9Very low38Very low150 Ų150101.4 Ų101.470%0.70152%0.52SS*.G310 helixtrans-60.5-12.5179.3-65.9-170.9151.800114.9Q195 H199Q195-E197 PolarHBondContact O-N 3.3Å; Q195-E197 VanDerWaalsContact O-N 3.17Å; E197-H199 PolarHBondContact O-N 3.08Å
198V34.6Very low37Very low120 Ų120100 Ų10073%0.72753%0.525SS*.G310 helixtrans-80.6-11.1-172.9-171.50000113.6S196 R200S196-V198 PolarHBondContact O-N 3.23Å; V198-R200 PolarHBondContact O-N 3.18Å
199H33.5Very low35.7Very low88 Ų88102.3 Ų102.341%0.40754%0.536SS..  trans-92.968.6179-77.6-41.2000114.9E197 L201 F254 E258E197-H199 PolarHBondContact O-N 3.08Å; H199-L201 HydrophobicContact CB-CD1 4.44Å; H199-L201 WeakPolarHBondContact ND1-CD1 3.09Å; H199-L201 PolarHBondContact O-N 3.48Å; H199-F254 AromaticContact NE2-CE1 3.91Å; H199-E258 IonicContact CE1-OE1 3.69Å; H199-E258 IonicContact CE1-OE2 2.79Å
200R28.6Very low34.7Very low249 Ų249108.9 Ų108.994%0.9457%0.57SS**  trans-69.270.3143.6-79.9-174.9172.8168.1-1.3109.9V198V198-R200 PolarHBondContact O-N 3.18Å
201L26.3Very low33.6Very low124 Ų124115.2 Ų115.265%0.64960%0.604SS**  trans-95.2110.1167.6-83.9170.9000109.6H199 T203H199-L201 HydrophobicContact CB-CD1 4.44Å; H199-L201 WeakPolarHBondContact ND1-CD1 3.09Å; H199-L201 PolarHBondContact O-N 3.48Å; L201-T203 PolarHBondContact O-N 2.62Å
202D28.9Very low32.3Very low121 Ų121116 Ų11665%0.64762%0.62SS**  trans1990.1165-64.8-31.4000117.9Q204 S205D202-Q204 PolarHBondContact O-N 2.81Å; D202-S205 PolarHBondContact O-N 2.93Å; D202-S205 PolarHBondContact O-OG 3.42Å
203T26.5Very low31.1Very low142 Ų142122.4 Ų122.487%0.87165%0.649SS**THydrogen-bonded Turntrans-591.9165.844.20000114.6L201L201-T203 PolarHBondContact O-N 2.62Å
204Q26.9Very low29.6Very low185 Ų185133.6 Ų133.686%0.86469%0.691SS**THydrogen-bonded Turntrans-88.3-5.6177.5-65.2-168.5-11.600114.7D202D202-Q204 PolarHBondContact O-N 2.81Å
205S23.1Very low28.6Very low97 Ų97142.7 Ų142.768%0.67872%0.723SS**SBendtrans-104.7-6.1-176.2630000115.3D202 S207D202-S205 PolarHBondContact O-N 2.93Å; D202-S205 PolarHBondContact O-OG 3.42Å; S205-S207 PolarHBondContact O-N 3.15Å
206L25.3Very low27.6Very low138 Ų138146.4 Ų146.472%0.72374%0.74SS**  trans-85.548.2-178.5-116.8160.2000112.9V208L206-V208 VanDerWaalsContact C-N 3.29Å; L206-V208 HydrophobicContact CD2-CG2 4.34Å; L206-V208 PolarHBondContact O-N 2.8Å
207S23.1Very low26.9Very low99 Ų99148.5 Ų148.569%0.69275%0.752SS**  trans-70.683.7172.463.20000111S205 H209S205-S207 PolarHBondContact O-N 3.15Å; S207-H209 PolarHBondContact O-N 3.4Å
208V27.7Very low26.3Very low102 Ų102146.7 Ų146.762%0.61876%0.756SS**  trans-55112.8175-174.70000108.9L206 L210L206-V208 VanDerWaalsContact C-N 3.29Å; L206-V208 HydrophobicContact CD2-CG2 4.34Å; L206-V208 PolarHBondContact O-N 2.8Å; V208-L210 HydrophobicContact CG1-CG 3.98Å; V208-L210 PolarHBondContact O-N 3.47Å
209H23.3Very low26Very low167 Ų167151.1 Ų151.177%0.77376%0.761SS**  trans-69.372.1169.4-100.442.2000110S207 N211S207-H209 PolarHBondContact O-N 3.4Å; H209-N211 PolarHBondContact O-N 2.88Å
210L25.5Very low25.8Very low150 Ų150151.9 Ų151.979%0.78577%0.774SS**  trans-67.984.4161.5-79.4173.7000108.2V208 S212V208-L210 HydrophobicContact CG1-CG 3.98Å; V208-L210 PolarHBondContact O-N 3.47Å; L210-S212 PolarHBondContact O-N 3.31Å; L210-S212 VanDerWaalsContact O-N 3.09Å
211N24.7Very low25.9Very low135 Ų135147 Ų14772%0.72277%0.766SS**  trans-51.5118168.7-101.2-24.8000109H209 H213H209-N211 PolarHBondContact O-N 2.88Å; N211-H213 PolarHBondContact O-N 3.1Å
212S24.1Very low26.2Very low115 Ų115146.6 Ų146.680%0.80477%0.769SS**  trans-77.444.9-167.848.50000113.8L210 R214L210-S212 PolarHBondContact O-N 3.31Å; L210-S212 VanDerWaalsContact O-N 3.09Å; S212-R214 PolarHBondContact O-N 2.69Å
213H25.6Very low26.4Very low171 Ų171145.8 Ų145.879%0.79276%0.763SS**  trans-87.494.8172.2-83.9-63.8000111.7N211 Y215N211-H213 PolarHBondContact O-N 3.1Å; H213-Y215 PolarHBondContact O-N 2.78Å
214R23.1Very low26.8Very low243 Ų243145 Ų14592%0.91775%0.75SS**  trans-33.6102.8169.7-60.5175.1-176.7173.30.1113.6S212S212-R214 PolarHBondContact O-N 2.69Å
215Y25.5Very low27.4Very low219 Ų219139.4 Ų139.486%0.85974%0.742SS**  trans-132.4103.4153.9-103.3-85.3000108.7H213 P217H213-Y215 PolarHBondContact O-N 2.78Å; Y215-P217 WeakPolarHBondContact O-CD 3.44Å
216Q22.2Very low28.3Very low190 Ų190136 Ų13689%0.88872%0.718SS**  trans-82.2121.2164.2-73.4179-4700108.5
217P30Very low29.3Very low113 Ų113131.1 Ų131.173%0.73469%0.694SS**  trans-95102.9160.331.8-22.3000108.6Y215 Y219Y215-P217 WeakPolarHBondContact O-CD 3.44Å; P217-Y219 PolarHBondContact O-N 2.83Å; P217-Y219 VanDerWaalsContact O-N 3.1Å
218S24.2Very low30.6Very low113 Ų113126.9 Ų126.979%0.7966%0.664SS**  trans-71.1100.2173.154.20000110.9
219Y28.4Very low31.5Very low213 Ų213123.7 Ų123.784%0.83565%0.645SS**  trans-131.3121.2162.8-94.1-82.8000109.8P217P217-Y219 PolarHBondContact O-N 2.83Å; P217-Y219 VanDerWaalsContact O-N 3.1Å
220P29Very low32.6Very low103 Ų103123 Ų12367%0.66964%0.635SS**  trans-75.1161162.433.2-31.6000110.3
221D29.9Very low33.8Very low146 Ų146118.4 Ų118.478%0.78161%0.61SS**  trans78.159173.8-52.2-21.8000117.8
222V33.2Very low34.7Very low117 Ų117119 Ų11971%0.70961%0.61SS**  trans-89.8102.8156.3-179.30000109.1
223I33.2Very low35.8Very low103 Ų103117.6 Ų117.653%0.52860%0.6SS.*  trans-86.4118.9-177.7-63.4176.3000110.2R283I223-R283 VanDerWaalsContact CG2-NH2 3.3Å
224E35.4Very low37.1Very low126 Ų126113.9 Ų113.959%0.58959%0.589SS**  trans-62.8140.8177.6-55.8-168.1107.300112.7R230E224-R230 IonicContact OE1-CZ 3.29Å; E224-R230 IonicContact OE1-NH2 2.94Å; E224-R230 PolarHBondContact OE1-NH2 2.91Å
225G38.3Very low38.8Very low68 Ų68103.9 Ų103.970%0.70156%0.556SS**  trans167.8-21.1169.800000118.3
226C42Very low40.8Very low26 Ų2698 Ų9818%0.17655%0.547CS..  trans-119.2131.2-176.7174.70000111.5L228 T229 H281C226-L228 PolarHBondContact O-N 3.11Å; C226-L228 VanDerWaalsContact O-N 3.11Å; C226-T229 HydrophobicContact CB-CG2 3.8Å; C226-T229 PolarHBondContact O-N 2.57Å; C226-T229 PolarHBondContact O-OG1 2.71Å; C226-H281 HydrophobicContact CB-CB 4.2Å
227P47Very low43.2Very low34 Ų3490.3 Ų90.322%0.22151%0.512CS..G310 helixtrans-54.2-34.6178.914.4-25.7000113.1T229 W378P227-T229 VanDerWaalsContact C-N 3.34Å; P227-T229 PolarHBondContact O-N 3.07Å; P227-W378 HydrophobicContact CB-CH2 3.86Å; P227-W378 HydrophobicContact CB-CZ3 3.66Å; P227-W378 HydrophobicContact CG-CH2 4.28Å; P227-W378 HydrophobicContact CG-CZ3 4.09Å
228L50.2Low45.1Very low11 Ų1191.3 Ų91.36%0.05851%0.505CS..G310 helixtrans-81.1-14.1-174.5-61.6125.4000112.9C226 C294 C296 F298 E313 V315C226-L228 PolarHBondContact O-N 3.11Å; C226-L228 VanDerWaalsContact O-N 3.11Å; L228-C294 HydrophobicContact CD1-CB 4.19Å; L228-C296 HydrophobicContact CD2-CB 3.86Å; L228-F298 HydrophobicContact CB-CZ 4.35Å; L228-F298 HydrophobicContact CD2-CE2 3.96Å; L228-F298 HydrophobicContact CD2-CZ 3.84Å; L228-E313 HydrophobicContact CD2-CB 4.44Å; L228-E313 WeakPolarHBondContact CD2-OE2 3.46Å; L228-V315 HydrophobicContact CD1-CG2 4.38Å; L228-V315 HydrophobicContact CD2-CG2 4.39Å
229T47.3Very low47.6Very low34 Ų3486.1 Ų86.121%0.20947%0.468CS..G310 helixtrans-79-16.6177.453.70000115C226 P227 H231 M232 H281C226-T229 HydrophobicContact CB-CG2 3.8Å; C226-T229 PolarHBondContact O-N 2.57Å; C226-T229 PolarHBondContact O-OG1 2.71Å; P227-T229 VanDerWaalsContact C-N 3.34Å; P227-T229 PolarHBondContact O-N 3.07Å; T229-H231 VanDerWaalsContact C-N 3.32Å; T229-H231 PolarHBondContact O-N 2.96Å; T229-M232 WeakPolarHBondContact O-CG 2.97Å; T229-H281 HydrophobicContact CG2-CB 3.93Å
230R46.6Very low49.4Very low152 Ų15277.3 Ų77.357%0.57444%0.435SS*.G310 helixtrans-77.5-13.2177.7-80.2-172.8175.1173.8-0.2114E224 M232E224-R230 IonicContact OE1-CZ 3.29Å; E224-R230 IonicContact OE1-NH2 2.94Å; E224-R230 PolarHBondContact OE1-NH2 2.91Å; R230-M232 VanDerWaalsContact C-N 3.25Å; R230-M232 PolarHBondContact O-N 2.99Å; R230-M232 VanDerWaalsContact O-N 3.13Å
231H50.2Low51.4Low55 Ų5575.2 Ų75.226%0.25541%0.414SS..  trans-84.443.2175.5-70.9-79.9000113.7T229 S233 R273T229-H231 VanDerWaalsContact C-N 3.32Å; T229-H231 PolarHBondContact O-N 2.96Å; H231-S233 PolarHBondContact O-N 3.31Å; H231-R273 PolarHBondContact CD2-NH1 2.88Å
232M43.8Very low53.4Low148 Ų14869 Ų6973%0.72938%0.381SS*.  trans-75.1-7.2173.5-64.6-145.179.800113.7T229 R230T229-M232 WeakPolarHBondContact O-CG 2.97Å; R230-M232 VanDerWaalsContact C-N 3.25Å; R230-M232 PolarHBondContact O-N 2.99Å; R230-M232 VanDerWaalsContact O-N 3.13Å
233S47.5Very low55Low85 Ų8567.8 Ų67.859%0.59437%0.368SS*.SBendtrans-104.6132.1171.5540000111.3H231 C235H231-S233 PolarHBondContact O-N 3.31Å; S233-C235 PolarHBondContact O-N 3.38Å; S233-C235 VanDerWaalsContact O-N 3.08Å
234V51.2Low56.4Low92 Ų9263.4 Ų63.456%0.55835%0.345SS*.  trans-49.6110.2176.5177.30000110.9Q272 R273V234-Q272 HydrophobicContact CG1-CG 3.22Å; V234-R273 WeakPolarHBondContact CA-O 3.38Å
235C60.5Low57.5Low33 Ų3358.8 Ų58.822%0.22332%0.323CS..EExtended strand (participates in β ladder)trans-110.8143.7-178.8710000112S233 R273S233-C235 PolarHBondContact O-N 3.38Å; S233-C235 VanDerWaalsContact O-N 3.08Å; C235-R273 WeakPolarHBondContact O-CB 3.44Å; C235-R273 PolarHBondContact O-N 2.97Å
236S66.1Low58.4Low95 Ų9560.4 Ų60.466%0.66431%0.31SS*.EExtended strand (participates in β ladder)trans-89.6115.4178-59.20000110.4I271S236-I271 CarbonylContact C-O 3.56Å; S236-I271 VanDerWaalsContact CA-O 3.3Å; S236-I271 WeakPolarHBondContact CA-O 3.43Å
237L72.4Confident59.1Low30 Ų3065.1 Ų65.116%0.15733%0.328CS..EExtended strand (participates in β ladder)trans-100.5144.6170.6-83.7148.7000109.3I271 R273 L311L237-I271 HydrophobicContact CB-CB 4.11Å; L237-I271 HydrophobicContact CB-CD1 4.39Å; L237-I271 PolarHBondContact N-O 3.06Å; L237-I271 PolarHBondContact O-N 2.86Å; L237-R273 HydrophobicContact CD1-CB 4.24Å; L237-L311 HydrophobicContact CD1-CD2 4.02Å
238K71.2Confident59.3Low133 Ų13364.3 Ų64.358%0.57832%0.322SS*.EExtended strand (participates in β ladder)trans-116.3119.2170.3-85.8-176.7171.4177.10109.1I269 D270K238-I269 WeakPolarHBondContact CA-O 3.48Å; K238-D270 WeakPolarHBondContact CE-OD1 3.24Å; K238-D270 WeakPolarHBondContact CG-OD1 3.48Å; K238-D270 IonicContact NZ-OD1 3.6Å
239M75.2Confident59.2Low4 Ų470.2 Ų70.22%0.0235%0.347CS..EExtended strand (participates in β ladder)trans-127.8148.8175.1-72.9176.255.300109.9F268 I269 I271 E355 R385 I387M239-F268 CarbonylContact O-C 3.55Å; M239-F268 WeakPolarHBondContact O-CA 3.43Å; M239-I269 PolarHBondContact N-O 3.04Å; M239-I269 VanDerWaalsContact N-O 3.09Å; M239-I269 WeakPolarHBondContact O-CB 3.47Å; M239-I269 PolarHBondContact O-N 3.12Å; M239-I271 HydrophobicContact CB-CD1 4.28Å; M239-I271 HydrophobicContact CG-CD1 4.32Å; M239-I271 HydrophobicContact SD-CD1 4.08Å; M239-E355 HydrophobicContact CE-CB 3.59Å; M239-E355 HydrophobicContact CG-CB 4.19Å; M239-E355 HydrophobicContact SD-CB 4.06Å; M239-R385 HydrophobicContact CE-CB 4.21Å; M239-R385 HydrophobicContact SD-CB 4.09Å; M239-I387 HydrophobicContact CB-CD1 4.1Å; M239-I387 HydrophobicContact CE-CD1 3.56Å; M239-I387 HydrophobicContact CE-CG1 3.83Å; M239-I387 HydrophobicContact SD-CD1 3.72Å; M239-I387 HydrophobicContact SD-CG1 4Å
240L67.6Low59.4Low29 Ų2977.1 Ų77.115%0.15237%0.374CS..EExtended strand (participates in β ladder)trans-73.7141.7175.7-97.8139.3000111.2D244 Y245 F268L240-D244 HydrophobicContact CD2-CB 4.29Å; L240-Y245 HydrophobicContact CB-CD2 4.24Å; L240-Y245 HydrophobicContact CB-CE2 3.48Å; L240-Y245 VanDerWaalsContact CB-CE2 3.48Å; L240-Y245 HydrophobicContact CD1-CE2 4.47Å; L240-Y245 HydrophobicContact CG-CE2 4.45Å; L240-F268 HydrophobicContact CD1-CE1 3.9Å; L240-F268 HydrophobicContact CD1-CZ 4.44Å; L240-F268 HydrophobicContact CG-CD1 4.01Å; L240-F268 HydrophobicContact CG-CE1 3.81Å; L240-F268 HydrophobicContact CG-CZ 4.49Å
241Y71.2Confident59.5Low58 Ų5873.6 Ų73.623%0.22736%0.361CS..  trans-63133.9171.3-113.1-68.2000110.9E243 D244 I269 E302 L352Y241-E243 PolarHBondContact O-N 3.43Å; Y241-E243 VanDerWaalsContact O-N 3.17Å; Y241-D244 PolarHBondContact O-N 2.9Å; Y241-I269 HydrophobicContact CD1-CD1 4.04Å; Y241-I269 HydrophobicContact CD1-CG1 4.25Å; Y241-I269 HydrophobicContact CD2-CD1 4.14Å; Y241-I269 HydrophobicContact CD2-CG1 3.43Å; Y241-I269 VanDerWaalsContact CD2-CG1 3.43Å; Y241-I269 HydrophobicContact CE1-CD1 4.19Å; Y241-I269 HydrophobicContact CE1-CG1 4.42Å; Y241-I269 HydrophobicContact CE2-CD1 4.29Å; Y241-I269 HydrophobicContact CE2-CG1 3.64Å; Y241-I269 HydrophobicContact CG-CD1 4Å; Y241-I269 HydrophobicContact CG-CG1 3.76Å; Y241-E302 WeakPolarHBondContact CE2-OE1 3.35Å; Y241-E302 PolarHBondContact OH-OE1 3.47Å; Y241-E302 PolarHBondContact OH-OE2 3.2Å; Y241-L352 HydrophobicContact CE1-CD2 4.3Å
242L70.5Confident59.2Low16 Ų1676.8 Ų76.88%0.08439%0.385CS..Hα-helixtrans-61.8-26179.3-161.679.4000113F193 D244 Y245 K246 A340 I351 L352 V354F193-L242 HydrophobicContact CZ-CD1 4.14Å; L242-D244 VanDerWaalsContact C-N 3.34Å; L242-Y245 PolarHBondContact O-N 3.12Å; L242-K246 PolarHBondContact O-N 3.25Å; L242-A340 HydrophobicContact CD1-CB 4.38Å; L242-A340 HydrophobicContact CD2-CB 3.62Å; L242-A340 WeakPolarHBondContact CD2-O 3.19Å; L242-I351 HydrophobicContact CD2-CG2 4.35Å; L242-L352 WeakPolarHBondContact CB-O 3.1Å; L242-L352 PolarHBondContact N-O 3.49Å; L242-V354 HydrophobicContact CD1-CG2 4.49Å
243E66.5Low59.4Low91 Ų9172.8 Ų72.843%0.42537%0.366SS..Hα-helixtrans-68.6-29.1174.1-71.9-172.5177.100113.3Y241 K246 K247 R350Y241-E243 PolarHBondContact O-N 3.43Å; Y241-E243 VanDerWaalsContact O-N 3.17Å; E243-K246 WeakPolarHBondContact O-CB 3.4Å; E243-K246 PolarHBondContact O-N 3.24Å; E243-K246 VanDerWaalsContact O-N 3.12Å; E243-K247 PolarHBondContact O-N 2.95Å; E243-R350 IonicContact OE1-CZ 3.12Å; E243-R350 IonicContact OE1-NH1 2.64Å; E243-R350 IonicContact OE1-NH2 3.83Å; E243-R350 PolarHBondContact OE1-NH2 3.07Å
244D62.6Low59.3Low11 Ų1171.4 Ų71.46%0.05935%0.35CS..Hα-helixtrans-73.5-31.5175.3-67.5-47.3000111.6L240 Y241 L242 K246 K247 L248 T267L240-D244 HydrophobicContact CD2-CB 4.29Å; Y241-D244 PolarHBondContact O-N 2.9Å; L242-D244 VanDerWaalsContact C-N 3.34Å; D244-K246 PolarHBondContact O-N 2.69Å; D244-K247 WeakPolarHBondContact O-CA 3.42Å; D244-K247 WeakPolarHBondContact O-CB 3.5Å; D244-K247 PolarHBondContact O-N 2.75Å; D244-K247 WeakPolarHBondContact OD1-CD 3.3Å; D244-K247 WeakPolarHBondContact OD1-CE 3.07Å; D244-K247 IonicContact OD1-NZ 3.73Å; D244-K247 PolarHBondContact OD1-NZ 2.87Å; D244-L248 PolarHBondContact O-N 2.81Å; D244-T267 PolarHBondContact OD1-OG1 3.14Å; D244-T267 WeakPolarHBondContact OD2-CB 3.44Å; D244-T267 PolarHBondContact OD2-OG1 2.93Å
245Y60.3Low59.6Low30 Ų3073.7 Ų73.712%0.11835%0.354CS..Hα-helixtrans-61.7-26.2166.8-75.9-85.7000112.9L189 I192 F193 L240 L242 K247 L248L189-Y245 HydrophobicContact CD2-CD1 3.77Å; L189-Y245 HydrophobicContact CD2-CG 4.46Å; I192-Y245 HydrophobicContact CG2-CE1 4.01Å; F193-Y245 AromaticContact CD1-CE1 3.87Å; F193-Y245 HydrophobicContact CD1-CE1 3.87Å; F193-Y245 HydrophobicContact CD1-CE2 4.27Å; F193-Y245 AromaticContact CD1-CZ 3.66Å; F193-Y245 HydrophobicContact CE1-CD1 4.03Å; F193-Y245 AromaticContact CE1-CD2 3.96Å; F193-Y245 HydrophobicContact CE1-CD2 3.96Å; F193-Y245 AromaticContact CE1-CE1 3.61Å; F193-Y245 HydrophobicContact CE1-CE1 3.61Å; F193-Y245 AromaticContact CE1-CE2 3.5Å; F193-Y245 HydrophobicContact CE1-CE2 3.5Å; F193-Y245 HydrophobicContact CE1-CG 4.2Å; F193-Y245 AromaticContact CE1-CZ 3.32Å; F193-Y245 AromaticContact CZ-CD1 4Å; F193-Y245 HydrophobicContact CZ-CD1 4Å; F193-Y245 HydrophobicContact CZ-CD2 4.16Å; F193-Y245 HydrophobicContact CZ-CE1 4.03Å; F193-Y245 HydrophobicContact CZ-CE2 4.16Å; F193-Y245 HydrophobicContact CZ-CG 4.07Å; L240-Y245 HydrophobicContact CB-CD2 4.24Å; L240-Y245 HydrophobicContact CB-CE2 3.48Å; L240-Y245 VanDerWaalsContact CB-CE2 3.48Å; L240-Y245 HydrophobicContact CD1-CE2 4.47Å; L240-Y245 HydrophobicContact CG-CE2 4.45Å; L242-Y245 PolarHBondContact O-N 3.12Å; Y245-K247 VanDerWaalsContact C-N 3.31Å; Y245-L248 HydrophobicContact CD1-CD1 3.65Å; Y245-L248 HydrophobicContact CE1-CD1 4.16Å; Y245-L248 HydrophobicContact CG-CD1 4.37Å
246K57.1Low59.5Low101 Ų10176.2 Ų76.244%0.43936%0.363SS..Hα-helixtrans-71-23.9169.7-63.4-171.7175-170.90112.3L242 E243 D244 R341L242-K246 PolarHBondContact O-N 3.25Å; E243-K246 WeakPolarHBondContact O-CB 3.4Å; E243-K246 PolarHBondContact O-N 3.24Å; E243-K246 VanDerWaalsContact O-N 3.12Å; D244-K246 PolarHBondContact O-N 2.69Å; K246-R341 PolarHBondContact NZ-O 3.37Å
247K56.7Low58.9Low125 Ų12572.8 Ų72.854%0.54334%0.336SS..Hα-helixtrans-83.9-20.7178.5-59.6171.1-165.8158.20113.7E243 D244 Y245 K249E243-K247 PolarHBondContact O-N 2.95Å; D244-K247 WeakPolarHBondContact O-CA 3.42Å; D244-K247 WeakPolarHBondContact O-CB 3.5Å; D244-K247 PolarHBondContact O-N 2.75Å; D244-K247 WeakPolarHBondContact OD1-CD 3.3Å; D244-K247 WeakPolarHBondContact OD1-CE 3.07Å; D244-K247 IonicContact OD1-NZ 3.73Å; D244-K247 PolarHBondContact OD1-NZ 2.87Å; Y245-K247 VanDerWaalsContact C-N 3.31Å; K247-K249 PolarHBondContact O-N 3.43Å
248L51.1Low57.9Low17 Ų1773.9 Ų73.99%0.08934%0.34CS..G310 helixtrans-57.2-16.3176.4-84.9169.1000114.3I192 D244 Y245 K250 Y251 Y257I192-L248 HydrophobicContact CG2-CD1 4.27Å; D244-L248 PolarHBondContact O-N 2.81Å; Y245-L248 HydrophobicContact CD1-CD1 3.65Å; Y245-L248 HydrophobicContact CE1-CD1 4.16Å; Y245-L248 HydrophobicContact CG-CD1 4.37Å; L248-K250 PolarHBondContact O-N 3.01Å; L248-Y251 PolarHBondContact O-N 2.65Å; L248-Y257 HydrophobicContact CD2-CD1 3.95Å; L248-Y257 HydrophobicContact CD2-CD2 3.44Å; L248-Y257 VanDerWaalsContact CD2-CD2 3.44Å; L248-Y257 HydrophobicContact CD2-CE1 4.5Å; L248-Y257 HydrophobicContact CD2-CE2 4.05Å; L248-Y257 HydrophobicContact CD2-CG 3.37Å; L248-Y257 HydrophobicContact CG-CD2 4.31Å; L248-Y257 HydrophobicContact CG-CE2 4.5Å
249K47.2Very low57.4Low136 Ų13671.2 Ų71.259%0.59134%0.343SS*.G310 helixtrans-48.2-12.4177-127.7-173.8-173.5-165.10116.3E181 E185 K247E181-K249 IonicContact OE2-NZ 3.56Å; E185-K249 VanDerWaalsContact CD-CE 3.47Å; E185-K249 WeakPolarHBondContact OE1-CE 3.11Å; E185-K249 IonicContact OE1-NZ 2.77Å; E185-K249 PolarHBondContact OE1-NZ 2.97Å; E185-K249 WeakPolarHBondContact OE2-CE 3.45Å; K247-K249 PolarHBondContact O-N 3.43Å
250K52.9Low56.5Low178 Ų17873 Ų7377%0.77436%0.358SS*.G310 helixtrans-96.6-10.1178.6-88.3-172.6174.6-179.20116L248L248-K250 PolarHBondContact O-N 3.01Å
251Y47.4Very low55.7Low78 Ų7874.4 Ų74.431%0.30636%0.364SS..  trans-126.2134.4-168.7-57.4-76.7000110.6L248 N253 Q256 Y257 A260L248-Y251 PolarHBondContact O-N 2.65Å; Y251-N253 VanDerWaalsContact C-N 3.34Å; Y251-N253 PolarHBondContact O-N 2.76Å; Y251-Q256 HydrophobicContact CD1-CB 4.17Å; Y251-Y257 AromaticContact CD2-CD2 3.93Å; Y251-Y257 HydrophobicContact CD2-CD2 3.93Å; Y251-Y257 HydrophobicContact CE2-CD2 4.16Å; Y251-A260 HydrophobicContact CD1-CB 4.41Å; Y251-A260 HydrophobicContact CE1-CB 3.61Å
252T43.8Very low54.7Low123 Ų12379.1 Ų79.176%0.75539%0.385SS*.SBendtrans-82.3-10.9-171.657.60000114Q256T252-Q256 PolarHBondContact OG1-NE2 2.95Å; T252-Q256 PolarHBondContact OG1-OE1 3.04Å; T252-Q256 VanDerWaalsContact OG1-OE1 3.08Å
253N48.5Very low53.4Low63 Ų6383.2 Ų83.234%0.33742%0.415SS..SBendtrans-155.6167.4172.763.86.2000111Y251 E255 Q256 Y257Y251-N253 VanDerWaalsContact C-N 3.34Å; Y251-N253 PolarHBondContact O-N 2.76Å; N253-E255 VanDerWaalsContact C-N 3.31Å; N253-E255 PolarHBondContact ND2-OE2 3.04Å; N253-E255 PolarHBondContact O-N 3.21Å; N253-Q256 PolarHBondContact O-N 3.19Å; N253-Q256 VanDerWaalsContact OD1-CB 3.29Å; N253-Q256 WeakPolarHBondContact OD1-CB 3.02Å; N253-Q256 VanDerWaalsContact OD1-CG 3.24Å; N253-Q256 WeakPolarHBondContact OD1-CG 3.35Å; N253-Q256 PolarHBondContact OD1-N 3.4Å; N253-Y257 PolarHBondContact O-N 3.37Å
254F46.4Very low52.2Low56 Ų5688.1 Ų88.125%0.24643%0.43CS..Hα-helixtrans-62.8-36.4-180-172.4-97000112.3I192 H199 Q256 Y257 E258I192-F254 HydrophobicContact CG2-CD2 4.31Å; H199-F254 AromaticContact NE2-CE1 3.91Å; F254-Q256 PolarHBondContact O-N 3.09Å; F254-Y257 HydrophobicContact CE2-CD1 4.43Å; F254-Y257 WeakPolarHBondContact O-CB 3.36Å; F254-Y257 PolarHBondContact O-N 3.28Å; F254-Y257 VanDerWaalsContact O-N 3.11Å; F254-E258 PolarHBondContact O-N 2.71Å
255E57.2Low51.6Low140 Ų14097.1 Ų97.165%0.65447%0.472SS*.Hα-helixtrans-60.6-40.2177.9-61174.2137.100112.8N253 E258 A259N253-E255 VanDerWaalsContact C-N 3.31Å; N253-E255 PolarHBondContact ND2-OE2 3.04Å; N253-E255 PolarHBondContact O-N 3.21Å; E255-E258 PolarHBondContact O-N 2.96Å; E255-A259 VanDerWaalsContact O-CB 3.22Å; E255-A259 WeakPolarHBondContact O-CB 3.36Å; E255-A259 PolarHBondContact O-N 2.83Å
256Q58.5Low51Low86 Ų8698 Ų9840%0.40248%0.483SS..Hα-helixtrans-65.3-38.9173.4-82.9178.69.900112.4Y251 T252 N253 F254 A260Y251-Q256 HydrophobicContact CD1-CB 4.17Å; T252-Q256 PolarHBondContact OG1-NE2 2.95Å; T252-Q256 PolarHBondContact OG1-OE1 3.04Å; T252-Q256 VanDerWaalsContact OG1-OE1 3.08Å; N253-Q256 PolarHBondContact O-N 3.19Å; N253-Q256 VanDerWaalsContact OD1-CB 3.29Å; N253-Q256 WeakPolarHBondContact OD1-CB 3.02Å; N253-Q256 VanDerWaalsContact OD1-CG 3.24Å; N253-Q256 WeakPolarHBondContact OD1-CG 3.35Å; N253-Q256 PolarHBondContact OD1-N 3.4Å; F254-Q256 PolarHBondContact O-N 3.09Å; Q256-A260 VanDerWaalsContact O-CB 3.25Å; Q256-A260 WeakPolarHBondContact O-CB 3.27Å; Q256-A260 PolarHBondContact O-N 3Å
257Y53.2Low51.2Low23 Ų2396.6 Ų96.69%0.0948%0.482CS..Hα-helixtrans-64.6-47175172.4-99.1000110.7L248 Y251 N253 F254 A259 A260 H261L248-Y257 HydrophobicContact CD2-CD1 3.95Å; L248-Y257 HydrophobicContact CD2-CD2 3.44Å; L248-Y257 VanDerWaalsContact CD2-CD2 3.44Å; L248-Y257 HydrophobicContact CD2-CE1 4.5Å; L248-Y257 HydrophobicContact CD2-CE2 4.05Å; L248-Y257 HydrophobicContact CD2-CG 3.37Å; L248-Y257 HydrophobicContact CG-CD2 4.31Å; L248-Y257 HydrophobicContact CG-CE2 4.5Å; Y251-Y257 AromaticContact CD2-CD2 3.93Å; Y251-Y257 HydrophobicContact CD2-CD2 3.93Å; Y251-Y257 HydrophobicContact CE2-CD2 4.16Å; N253-Y257 PolarHBondContact O-N 3.37Å; F254-Y257 HydrophobicContact CE2-CD1 4.43Å; F254-Y257 WeakPolarHBondContact O-CB 3.36Å; F254-Y257 PolarHBondContact O-N 3.28Å; F254-Y257 VanDerWaalsContact O-N 3.11Å; Y257-A259 PolarHBondContact O-N 2.78Å; Y257-A260 PolarHBondContact O-N 3.31Å; Y257-H261 AromaticContact CD2-CD2 3.41Å; Y257-H261 VanDerWaalsContact CD2-CD2 3.41Å; Y257-H261 WeakPolarHBondContact CD2-CD2 3.29Å; Y257-H261 AromaticContact CE2-CD2 3.36Å; Y257-H261 WeakPolarHBondContact CE2-CD2 3.48Å; Y257-H261 AromaticContact CE2-NE2 3.77Å; Y257-H261 WeakPolarHBondContact O-CB 3.13Å; Y257-H261 PolarHBondContact O-CD2 3.5Å; Y257-H261 PolarHBondContact O-N 2.86Å
258E51.7Low51.7Low53 Ų5394 Ų9425%0.24847%0.471CS..Hα-helixtrans-63.7-40.7178.3-152.6-152.7144.600111.9H199 F254 E255 H261 K262H199-E258 IonicContact CE1-OE1 3.69Å; H199-E258 IonicContact CE1-OE2 2.79Å; F254-E258 PolarHBondContact O-N 2.71Å; E255-E258 PolarHBondContact O-N 2.96Å; E258-H261 PolarHBondContact O-N 3.11Å; E258-K262 WeakPolarHBondContact O-CB 3.19Å; E258-K262 WeakPolarHBondContact O-CG 3.36Å; E258-K262 PolarHBondContact O-N 3.45Å; E258-K262 WeakPolarHBondContact OE1-CE 3.2Å; E258-K262 IonicContact OE1-NZ 2.86Å; E258-K262 PolarHBondContact OE1-NZ 3.3Å; E258-K262 IonicContact OE2-NZ 3.94Å
259A60.8Low52.6Low77 Ų7793.2 Ų93.264%0.63647%0.467SS*.Hα-helixtrans-65.3-37.8174.500000112.6E255 Y257E255-A259 VanDerWaalsContact O-CB 3.22Å; E255-A259 WeakPolarHBondContact O-CB 3.36Å; E255-A259 PolarHBondContact O-N 2.83Å; Y257-A259 PolarHBondContact O-N 2.78Å
260A54.6Low54.1Low41 Ų4188.4 Ų88.434%0.33945%0.448SS..Hα-helixtrans-73.1-30.7175.300000113.1Y251 Q256 Y257Y251-A260 HydrophobicContact CD1-CB 4.41Å; Y251-A260 HydrophobicContact CE1-CB 3.61Å; Q256-A260 VanDerWaalsContact O-CB 3.25Å; Q256-A260 WeakPolarHBondContact O-CB 3.27Å; Q256-A260 PolarHBondContact O-N 3Å; Y257-A260 PolarHBondContact O-N 3.31Å
261H50.9Low55.2Low60 Ų6080 Ų8028%0.27841%0.411SS..Hα-helixtrans-106.6-0.5-173-74.8-77.5000115.9Y257 E258 S263 R264Y257-H261 AromaticContact CD2-CD2 3.41Å; Y257-H261 VanDerWaalsContact CD2-CD2 3.41Å; Y257-H261 WeakPolarHBondContact CD2-CD2 3.29Å; Y257-H261 AromaticContact CE2-CD2 3.36Å; Y257-H261 WeakPolarHBondContact CE2-CD2 3.48Å; Y257-H261 AromaticContact CE2-NE2 3.77Å; Y257-H261 WeakPolarHBondContact O-CB 3.13Å; Y257-H261 PolarHBondContact O-CD2 3.5Å; Y257-H261 PolarHBondContact O-N 2.86Å; E258-H261 PolarHBondContact O-N 3.11Å; H261-S263 PolarHBondContact O-N 3.45Å; H261-R264 PolarHBondContact O-N 2.82Å
262K50.4Low56.7Low157 Ų15780.5 Ų80.568%0.68342%0.417SS*.THydrogen-bonded Turntrans-57.1-0.3166.4-100.8163.4167.3146.40115.4E258E258-K262 WeakPolarHBondContact O-CB 3.19Å; E258-K262 WeakPolarHBondContact O-CG 3.36Å; E258-K262 PolarHBondContact O-N 3.45Å; E258-K262 WeakPolarHBondContact OE1-CE 3.2Å; E258-K262 IonicContact OE1-NZ 2.86Å; E258-K262 PolarHBondContact OE1-NZ 3.3Å; E258-K262 IonicContact OE2-NZ 3.94Å
263S44.6Very low58.2Low102 Ų10275 Ų7571%0.71338%0.382SS*.THydrogen-bonded Turntrans-116.92.8174.962.80000114.9H261H261-S263 PolarHBondContact O-N 3.45Å
264R41.3Very low59.2Low193 Ų19373.1 Ų73.173%0.72838%0.377SS*.SBendtrans-143.7126.4178.6-73.6-174.5172.5176.7-3.1111.2H261 S266H261-R264 PolarHBondContact O-N 2.82Å; R264-S266 PolarHBondContact O-N 2.9Å
265E49.2Very low60.1Low200 Ų20074.7 Ų74.794%0.93539%0.394SS*.  trans-49119.3178.6-63.7-175.814900112.2
266S48.2Very low60.4Low50 Ų5069.3 Ų69.335%0.3537%0.372SS..  trans-79133.1174.737.50000110.6R264 F268R264-S266 PolarHBondContact O-N 2.9Å; S266-F268 PolarHBondContact O-N 3.22Å; S266-F268 VanDerWaalsContact OG-CE2 3.25Å; S266-F268 WeakPolarHBondContact OG-CE2 3.43Å
267T60.6Low60.5Low70 Ų7067.5 Ų67.543%0.42937%0.372SS..  trans-78.865.6-174.521.90000112.8D244D244-T267 PolarHBondContact OD1-OG1 3.14Å; D244-T267 WeakPolarHBondContact OD2-CB 3.44Å; D244-T267 PolarHBondContact OD2-OG1 2.93Å
268F66.5Low60.7Low70 Ų7069.9 Ų69.931%0.30739%0.386SS..EExtended strand (participates in β ladder)trans-62.4132.2163.8-67.8-82.4000110.8M239 L240 S266 D270 K304M239-F268 CarbonylContact O-C 3.55Å; M239-F268 WeakPolarHBondContact O-CA 3.43Å; L240-F268 HydrophobicContact CD1-CE1 3.9Å; L240-F268 HydrophobicContact CD1-CZ 4.44Å; L240-F268 HydrophobicContact CG-CD1 4.01Å; L240-F268 HydrophobicContact CG-CE1 3.81Å; L240-F268 HydrophobicContact CG-CZ 4.49Å; S266-F268 PolarHBondContact O-N 3.22Å; S266-F268 VanDerWaalsContact OG-CE2 3.25Å; S266-F268 WeakPolarHBondContact OG-CE2 3.43Å; F268-D270 PolarHBondContact O-N 3.33Å; F268-K304 PolarHBondContact O-NZ 3.47Å
269I71.4Confident60.6Low2 Ų268.8 Ų68.81%0.0139%0.389CS..EExtended strand (participates in β ladder)trans-71.7106.3162-47.7174.5000106.8K238 M239 Y241 I271 E302 L352 I387K238-I269 WeakPolarHBondContact CA-O 3.48Å; M239-I269 PolarHBondContact N-O 3.04Å; M239-I269 VanDerWaalsContact N-O 3.09Å; M239-I269 WeakPolarHBondContact O-CB 3.47Å; M239-I269 PolarHBondContact O-N 3.12Å; Y241-I269 HydrophobicContact CD1-CD1 4.04Å; Y241-I269 HydrophobicContact CD1-CG1 4.25Å; Y241-I269 HydrophobicContact CD2-CD1 4.14Å; Y241-I269 HydrophobicContact CD2-CG1 3.43Å; Y241-I269 VanDerWaalsContact CD2-CG1 3.43Å; Y241-I269 HydrophobicContact CE1-CD1 4.19Å; Y241-I269 HydrophobicContact CE1-CG1 4.42Å; Y241-I269 HydrophobicContact CE2-CD1 4.29Å; Y241-I269 HydrophobicContact CE2-CG1 3.64Å; Y241-I269 HydrophobicContact CG-CD1 4Å; Y241-I269 HydrophobicContact CG-CG1 3.76Å; I269-I271 HydrophobicContact CB-CG1 4.26Å; I269-I271 HydrophobicContact CG2-CD1 4.18Å; I269-I271 HydrophobicContact CG2-CG1 3.55Å; I269-E302 HydrophobicContact CG2-CB 4.41Å; I269-E302 HydrophobicContact CG2-CG 3.93Å; I269-L352 HydrophobicContact CD1-CB 4.21Å; I269-I387 HydrophobicContact CD1-CD1 3.9Å
270D78.6Confident59.9Low35 Ų3571.1 Ų71.119%0.18740%0.397CS..EExtended strand (participates in β ladder)trans-78115.9164.8-74-74.2000108.1K238 F268 E302 V303 K304K238-D270 WeakPolarHBondContact CE-OD1 3.24Å; K238-D270 WeakPolarHBondContact CG-OD1 3.48Å; K238-D270 IonicContact NZ-OD1 3.6Å; F268-D270 PolarHBondContact O-N 3.33Å; D270-E302 CarbonylContact O-C 3.58Å; D270-E302 WeakPolarHBondContact O-CA 3.47Å; D270-V303 HydrophobicContact CB-CB 3.82Å; D270-V303 HydrophobicContact CB-CG2 4.09Å; D270-V303 WeakPolarHBondContact O-CG2 3.41Å; D270-V303 PolarHBondContact O-N 2.87Å; D270-K304 WeakPolarHBondContact OD2-CE 3.15Å; D270-K304 IonicContact OD2-NZ 2.62Å; D270-K304 PolarHBondContact OD2-NZ 3.04Å; D270-K304 VanDerWaalsContact OD2-NZ 3.11Å
271I74.5Confident59.6Low1 Ų171.6 Ų71.61%0.00539%0.392CS..EExtended strand (participates in β ladder)trans-113.9117.9-172.8-59.9162.8000109.8S236 L237 M239 I269 R273 I309 I387S236-I271 CarbonylContact C-O 3.56Å; S236-I271 VanDerWaalsContact CA-O 3.3Å; S236-I271 WeakPolarHBondContact CA-O 3.43Å; L237-I271 HydrophobicContact CB-CB 4.11Å; L237-I271 HydrophobicContact CB-CD1 4.39Å; L237-I271 PolarHBondContact N-O 3.06Å; L237-I271 PolarHBondContact O-N 2.86Å; M239-I271 HydrophobicContact CB-CD1 4.28Å; M239-I271 HydrophobicContact CG-CD1 4.32Å; M239-I271 HydrophobicContact SD-CD1 4.08Å; I269-I271 HydrophobicContact CB-CG1 4.26Å; I269-I271 HydrophobicContact CG2-CD1 4.18Å; I269-I271 HydrophobicContact CG2-CG1 3.55Å; I271-R273 PolarHBondContact O-N 2.81Å; I271-I309 HydrophobicContact CB-CD1 4.42Å; I271-I309 HydrophobicContact CG1-CD1 3.98Å; I271-I309 HydrophobicContact CG2-CD1 3.86Å; I271-I387 HydrophobicContact CD1-CD1 3.35Å; I271-I387 HydrophobicContact CD1-CG1 3.97Å; I271-I387 HydrophobicContact CG1-CD1 4.42Å
272Q79.5Confident59Low89 Ų8975.6 Ų75.642%0.41642%0.416SS..EExtended strand (participates in β ladder)trans-85.295.9165.5-163.416326.400108.4V234 G300 L301 V303V234-Q272 HydrophobicContact CG1-CG 3.22Å; Q272-G300 VanDerWaalsContact O-CA 3.3Å; Q272-G300 WeakPolarHBondContact O-CA 3.49Å; Q272-L301 HydrophobicContact CB-CB 4.3Å; Q272-L301 PolarHBondContact N-O 3.1Å; Q272-L301 PolarHBondContact O-N 3.38Å; Q272-V303 HydrophobicContact CB-CG2 3.96Å
273R76.4Confident58.2Low7 Ų777 Ų773%0.02642%0.417CS..EExtended strand (participates in β ladder)trans-71.6126.3178.7178.2-180171.7-171.47.1109.7H231 V234 C235 L237 I271 F298 L311 E313H231-R273 PolarHBondContact CD2-NH1 2.88Å; V234-R273 WeakPolarHBondContact CA-O 3.38Å; C235-R273 WeakPolarHBondContact O-CB 3.44Å; C235-R273 PolarHBondContact O-N 2.97Å; L237-R273 HydrophobicContact CD1-CB 4.24Å; I271-R273 PolarHBondContact O-N 2.81Å; R273-F298 HydrophobicContact CG-CB 4.19Å; R273-F298 HydrophobicContact CG-CD1 4.43Å; R273-F298 HydrophobicContact CG-CG 4.37Å; R273-F298 VanDerWaalsContact NH2-CE1 3.28Å; R273-L311 HydrophobicContact CG-CD2 4.17Å; R273-E313 IonicContact CZ-OE1 3.52Å; R273-E313 IonicContact CZ-OE2 3.55Å; R273-E313 VanDerWaalsContact CZ-OE2 3.27Å; R273-E313 IonicContact NH1-OE1 3.92Å; R273-E313 IonicContact NH1-OE2 3.61Å; R273-E313 IonicContact NH2-OE1 2.78Å; R273-E313 IonicContact NH2-OE2 3.72Å; R273-E313 PolarHBondContact NH2-OE2 3.19Å
274G68.2Low57.8Low23 Ų2381.3 Ų81.324%0.23742%0.423CS..EExtended strand (participates in β ladder)trans-94.5-162.617600000113.2D299G274-D299 WeakPolarHBondContact CA-O 3.42Å; G274-D299 PolarHBondContact N-O 2.85Å
275C65Low57.6Low90 Ų9078 Ų7861%0.60842%0.42SS*.EExtended strand (participates in β ladder)trans-68.8156-179.2-59.50000111.8A277C275-A277 PolarHBondContact O-N 3.44Å
276C64.2Low57.1Low26 Ų2672.1 Ų72.118%0.17640%0.398CS..EExtended strand (participates in β ladder)trans-62.8126.9172.6-172.20000110.8D278 G279 H281 Y297 F298C276-D278 PolarHBondContact O-N 3.41Å; C276-G279 PolarHBondContact O-N 2.89Å; C276-H281 PolarHBondContact SG-CE1 3.06Å; C276-H281 PolarHBondContact SG-NE2 3.28Å; C276-H281 VanDerWaalsContact SG-NE2 3.35Å; C276-Y297 PolarHBondContact SG-O 3.37Å; C276-Y297 VanDerWaalsContact SG-O 3.42Å; C276-F298 HydrophobicContact CB-CD1 3.98Å; C276-F298 HydrophobicContact CB-CE1 3.61Å; C276-F298 HydrophobicContact CB-CZ 4.23Å
277A60.8Low56.5Low49 Ų4978 Ų7841%0.40541%0.412SS..THydrogen-bonded Turntrans-74.4-14.9-18000000112.9C275 Y297C275-A277 PolarHBondContact O-N 3.44Å; A277-Y297 WeakPolarHBondContact CB-O 3.46Å; A277-Y297 PolarHBondContact N-O 3.16Å
278D58Low55.4Low73 Ų7380.2 Ų80.239%0.3943%0.431SS..THydrogen-bonded Turntrans-91.10176.9-44.7-60.3000112.8C276 Y297 K474C276-D278 PolarHBondContact O-N 3.41Å; D278-Y297 WeakPolarHBondContact OD1-CD2 3.33Å; D278-Y297 VanDerWaalsContact OD2-CD2 3.32Å; D278-Y297 WeakPolarHBondContact OD2-CD2 3.25Å; D278-Y297 PolarHBondContact OD2-N 3.4Å; D278-K474 IonicContact OD1-NZ 2.65Å; D278-K474 PolarHBondContact OD1-NZ 3.12Å
279G49.7Very low54.1Low30 Ų3081.9 Ų81.931%0.30945%0.446SS..  trans87.3-172.7179.200000114.3C276 H281C276-G279 PolarHBondContact O-N 2.89Å; G279-H281 PolarHBondContact O-N 3.34Å
280P46.2Very low52.5Low125 Ų12585.9 Ų85.981%0.81247%0.468SS*.SBendtrans-67.1124.6175.327.6-32.9000110.5D282P280-D282 PolarHBondContact O-N 3.41Å
281H48.3Very low50.8Low51 Ų5186.8 Ų86.824%0.23647%0.472CS..  trans-71.290-177.5-56.1-62.2000111.7C226 T229 C276 G279 C296C226-H281 HydrophobicContact CB-CB 4.2Å; T229-H281 HydrophobicContact CG2-CB 3.93Å; C276-H281 PolarHBondContact SG-CE1 3.06Å; C276-H281 PolarHBondContact SG-NE2 3.28Å; C276-H281 VanDerWaalsContact SG-NE2 3.35Å; G279-H281 PolarHBondContact O-N 3.34Å; H281-C296 PolarHBondContact CE1-SG 3.41Å; H281-C296 PolarHBondContact NE2-SG 3.09Å; H281-C296 VanDerWaalsContact NE2-SG 3.45Å
282D36.6Very low49.3Very low144 Ų14492.6 Ų92.677%0.7750%0.498SS*.  trans-69.8150179.9-152.1-9.2000112P280 F284P280-D282 PolarHBondContact O-N 3.41Å; D282-F284 PolarHBondContact O-N 3.05Å
283R34.9Very low48Very low186 Ų18689.6 Ų89.670%0.70249%0.486SS*.  trans-57.387.8-160.8-72.4174.7163.4170.7-3.9115.3I223I223-R283 VanDerWaalsContact CG2-NH2 3.3Å
284F35.4Very low47.2Very low194 Ų19491.3 Ų91.385%0.85150%0.498SS*.  trans-83.8121145.1-83.7-85.1000109.2D282 V286D282-F284 PolarHBondContact O-N 3.05Å; F284-V286 PolarHBondContact O-N 3.46Å
285N37.2Very low47Very low123 Ų12392.2 Ų92.266%0.65850%0.499SS*.  trans-58.593.7176.5-89.7-70.1000109.9R287N285-R287 HydrophobicContact CB-CG 4.41Å; N285-R287 PolarHBondContact O-N 3.41Å
286V38.1Very low47.2Very low77 Ų7788.2 Ų88.247%0.46747%0.472SS..  trans-70.583.4164.4-175.40000107.4F284 D290 W381F284-V286 PolarHBondContact O-N 3.46Å; V286-D290 WeakPolarHBondContact CA-OD2 3.48Å; V286-W381 HydrophobicContact CG1-CH2 4.48Å
287R36.6Very low47.6Very low173 Ų17387.9 Ų87.965%0.65347%0.467SS*.  trans-74.7154.2167.4-73.2-178.3175.9-173.6-1.3106.9N285 T289 D290N285-R287 HydrophobicContact CB-CG 4.41Å; N285-R287 PolarHBondContact O-N 3.41Å; R287-T289 PolarHBondContact O-N 3.47Å; R287-D290 PolarHBondContact N-OD2 3.2Å; R287-D290 PolarHBondContact O-N 2.94Å; R287-D290 VanDerWaalsContact O-N 3.15Å
288S38.1Very low48.3Very low117 Ų11785.7 Ų85.782%0.81845%0.449SS*.THydrogen-bonded Turntrans-66.322.7-179.663.40000114.8
289T38.1Very low49.2Very low104 Ų10484.3 Ų84.364%0.63844%0.441SS*.THydrogen-bonded Turntrans-128.1-1.6-176.7530000112.4R287 I291R287-T289 PolarHBondContact O-N 3.47Å; T289-I291 PolarHBondContact O-N 2.89Å
290D37.8Very low50.5Low86 Ų8683.1 Ų83.146%0.4643%0.429SS..  trans-77.3115.7-177.5-68.7-43.3000111.4V286 R287 F292V286-D290 WeakPolarHBondContact CA-OD2 3.48Å; R287-D290 PolarHBondContact N-OD2 3.2Å; R287-D290 PolarHBondContact O-N 2.94Å; R287-D290 VanDerWaalsContact O-N 3.15Å; D290-F292 PolarHBondContact O-N 2.96Å
291I44.4Very low52Low54 Ų5480.8 Ų80.828%0.27741%0.41SS..  trans-77-7.6-171.1-59.9167.3000112T289 L492T289-I291 PolarHBondContact O-N 2.89Å; I291-L492 HydrophobicContact CD1-CD1 3.83Å
292F42.3Very low53.7Low123 Ų12378.8 Ų78.854%0.53940%0.4SS..SBendtrans-96.3133.6-171.7-63.3-87.3000112D290 C294 V485D290-F292 PolarHBondContact O-N 2.96Å; F292-C294 PolarHBondContact O-N 3.22Å; F292-V485 HydrophobicContact CD1-CG2 4.3Å; F292-V485 HydrophobicContact CE1-CB 4.41Å; F292-V485 HydrophobicContact CE1-CG1 3.67Å; F292-V485 HydrophobicContact CE1-CG2 3.88Å; F292-V485 HydrophobicContact CZ-CG1 3.58Å; F292-V485 HydrophobicContact CZ-CG2 4.39Å
293P52.9Low55.6Low27 Ų2775.9 Ų75.918%0.17539%0.388CS..PPolyproline II helixtrans-65.1135.7169.627.2-32.6000110.5V315 F316 L481P293-V315 VanDerWaalsContact CA-O 3.26Å; P293-V315 WeakPolarHBondContact CA-O 3.48Å; P293-F316 HydrophobicContact CB-CD1 3.74Å; P293-F316 HydrophobicContact CB-CE1 3.63Å; P293-F316 HydrophobicContact CB-CG 4.3Å; P293-F316 HydrophobicContact CB-CZ 4.1Å; P293-F316 HydrophobicContact CG-CD1 4.4Å; P293-F316 HydrophobicContact CG-CE1 3.94Å; P293-L481 HydrophobicContact CG-CD2 4.24Å
294C59.4Low57.5Low42 Ų4272.9 Ų72.928%0.28438%0.38SS..EExtended strand (participates in β ladder)trans-72132.9168.6-78.70000109L228 F292 W314 V315L228-C294 HydrophobicContact CD1-CB 4.19Å; F292-C294 PolarHBondContact O-N 3.22Å; C294-W314 CarbonylContact O-C 3.43Å; C294-W314 WeakPolarHBondContact O-CA 3.31Å; C294-V315 HydrophobicContact CB-CB 4.27Å; C294-V315 PolarHBondContact N-O 3.4Å; C294-V315 VanDerWaalsContact N-O 3.11Å; C294-V315 PolarHBondContact O-N 3.44Å
295V63.7Low59.4Low43 Ų4367.7 Ų67.726%0.26136%0.364SS..EExtended strand (participates in β ladder)trans-122.2132.8-179.7-167.10000109.1Y297 E313V295-Y297 HydrophobicContact CG1-CE2 4.17Å; V295-E313 WeakPolarHBondContact CA-O 3.36Å
296C68.2Low61.3Low5 Ų564.2 Ų64.23%0.03436%0.357CS..EExtended strand (participates in β ladder)trans-142.2149.2176.2-70.10000112.2L228 H281 F298 E313L228-C296 HydrophobicContact CD2-CB 3.86Å; H281-C296 PolarHBondContact CE1-SG 3.41Å; H281-C296 PolarHBondContact NE2-SG 3.09Å; H281-C296 VanDerWaalsContact NE2-SG 3.45Å; C296-F298 HydrophobicContact CB-CD2 4.42Å; C296-F298 HydrophobicContact CB-CE2 3.5Å; C296-F298 HydrophobicContact CB-CZ 3.84Å; C296-E313 PolarHBondContact N-O 3.35Å; C296-E313 PolarHBondContact O-N 3.09Å
297Y72.4Confident62.9Low19 Ų1962.5 Ų62.58%0.07535%0.351CS..EExtended strand (participates in β ladder)trans-113130.2179.3-56.5-94.4000109.5C276 A277 D278 V295 L311 H312 K474 E476C276-Y297 PolarHBondContact SG-O 3.37Å; C276-Y297 VanDerWaalsContact SG-O 3.42Å; A277-Y297 WeakPolarHBondContact CB-O 3.46Å; A277-Y297 PolarHBondContact N-O 3.16Å; D278-Y297 WeakPolarHBondContact OD1-CD2 3.33Å; D278-Y297 VanDerWaalsContact OD2-CD2 3.32Å; D278-Y297 WeakPolarHBondContact OD2-CD2 3.25Å; D278-Y297 PolarHBondContact OD2-N 3.4Å; V295-Y297 HydrophobicContact CG1-CE2 4.17Å; Y297-L311 CarbonylContact C-O 3.15Å; Y297-L311 WeakPolarHBondContact CA-O 3.34Å; Y297-H312 AromaticContact CD1-CE1 3.8Å; Y297-H312 AromaticContact CD1-CG 3.94Å; Y297-H312 AromaticContact CD1-ND1 3.42Å; Y297-H312 WeakPolarHBondContact CD1-ND1 3.2Å; Y297-H312 AromaticContact CE1-CE1 3.71Å; Y297-H312 AromaticContact CE1-ND1 3.19Å; Y297-H312 WeakPolarHBondContact CE1-ND1 3.27Å; Y297-K474 HydrophobicContact CD1-CD 4.06Å; Y297-K474 HydrophobicContact CD1-CG 3.84Å; Y297-K474 HydrophobicContact CD2-CD 4.13Å; Y297-K474 HydrophobicContact CE1-CB 3.83Å; Y297-K474 HydrophobicContact CE1-CD 4.01Å; Y297-K474 HydrophobicContact CE1-CG 3.63Å; Y297-K474 HydrophobicContact CE2-CD 4.15Å; Y297-K474 HydrophobicContact CG-CD 4.12Å; Y297-K474 HydrophobicContact CG-CG 4.41Å; Y297-E476 PolarHBondContact OH-OE1 3.26Å
298F75.8Confident64.9Low3 Ų356.4 Ų56.41%0.01334%0.335CS..EExtended strand (participates in β ladder)trans-123.8128.2178.6-59.1-94.7000110.1L228 R273 C276 C296 Q310 L311 E313L228-F298 HydrophobicContact CB-CZ 4.35Å; L228-F298 HydrophobicContact CD2-CE2 3.96Å; L228-F298 HydrophobicContact CD2-CZ 3.84Å; R273-F298 HydrophobicContact CG-CB 4.19Å; R273-F298 HydrophobicContact CG-CD1 4.43Å; R273-F298 HydrophobicContact CG-CG 4.37Å; R273-F298 VanDerWaalsContact NH2-CE1 3.28Å; C276-F298 HydrophobicContact CB-CD1 3.98Å; C276-F298 HydrophobicContact CB-CE1 3.61Å; C276-F298 HydrophobicContact CB-CZ 4.23Å; C296-F298 HydrophobicContact CB-CD2 4.42Å; C296-F298 HydrophobicContact CB-CE2 3.5Å; C296-F298 HydrophobicContact CB-CZ 3.84Å; F298-Q310 CarbonylContact O-C 3.42Å; F298-Q310 WeakPolarHBondContact O-CA 3.43Å; F298-L311 HydrophobicContact CB-CB 4.26Å; F298-L311 HydrophobicContact CD2-CD2 4.47Å; F298-L311 PolarHBondContact N-O 3Å; F298-L311 PolarHBondContact O-N 2.64Å; F298-E313 HydrophobicContact CE2-CB 4.38Å; F298-E313 HydrophobicContact CE2-CG 4.4Å; F298-E313 WeakPolarHBondContact CE2-OE2 3.34Å
299D76.8Confident67.1Low44 Ų4451 Ų5124%0.23530%0.297CS..EExtended strand (participates in β ladder)trans-70.6138.5166.6-83.4-4000109.2G274 R390G274-D299 WeakPolarHBondContact CA-O 3.42Å; G274-D299 PolarHBondContact N-O 2.85Å; D299-R390 IonicContact OD1-CZ 3.44Å; D299-R390 IonicContact OD1-NH1 3.57Å; D299-R390 IonicContact OD1-NH2 3.79Å; D299-R390 IonicContact OD2-CZ 2.75Å; D299-R390 IonicContact OD2-NH1 3.33Å; D299-R390 PolarHBondContact OD2-NH1 3.27Å; D299-R390 IonicContact OD2-NH2 3.81Å; D299-R390 PolarHBondContact OD2-NH2 2.92Å
300G76.8Confident69.1Low6 Ų646.6 Ų46.66%0.06227%0.269CS..EExtended strand (participates in β ladder)trans-140.9175.8178.500000113.3Q272 S308 I309Q272-G300 VanDerWaalsContact O-CA 3.3Å; Q272-G300 WeakPolarHBondContact O-CA 3.49Å; G300-S308 WeakPolarHBondContact O-CA 3.47Å; G300-S308 PolarHBondContact O-OG 3.3Å; G300-I309 PolarHBondContact N-O 2.96Å; G300-I309 PolarHBondContact O-N 2.97Å
301L78.2Confident71.1Confident75 Ų7542.7 Ų42.739%0.39325%0.248SC..EExtended strand (participates in β ladder)trans-130.5129.8174.9-93157.3000109.7Q272 V303 G306 A307Q272-L301 HydrophobicContact CB-CB 4.3Å; Q272-L301 PolarHBondContact N-O 3.1Å; Q272-L301 PolarHBondContact O-N 3.38Å; L301-V303 PolarHBondContact O-N 3.46Å; L301-G306 VanDerWaalsContact CD2-O 3.23Å; L301-G306 WeakPolarHBondContact CD2-O 3.34Å; L301-A307 WeakPolarHBondContact CA-O 3.34Å
302E83.7Confident72.8Confident9 Ų940.2 Ų40.24%0.04224%0.236CC..EExtended strand (participates in β ladder)trans-73.6119.3164.9178.8-177.4-166.600109Y241 I269 D270 K304 T305 G306 A307Y241-E302 WeakPolarHBondContact CE2-OE1 3.35Å; Y241-E302 PolarHBondContact OH-OE1 3.47Å; Y241-E302 PolarHBondContact OH-OE2 3.2Å; I269-E302 HydrophobicContact CG2-CB 4.41Å; I269-E302 HydrophobicContact CG2-CG 3.93Å; D270-E302 CarbonylContact O-C 3.58Å; D270-E302 WeakPolarHBondContact O-CA 3.47Å; E302-K304 VanDerWaalsContact C-N 3.33Å; E302-K304 PolarHBondContact O-N 3.38Å; E302-T305 WeakPolarHBondContact CB-OG1 3.48Å; E302-T305 VanDerWaalsContact CD-CG2 3.5Å; E302-T305 HydrophobicContact CG-CG2 4.33Å; E302-T305 WeakPolarHBondContact CG-OG1 3.38Å; E302-T305 PolarHBondContact O-N 3.21Å; E302-T305 WeakPolarHBondContact OE2-CB 3.43Å; E302-T305 VanDerWaalsContact OE2-CG2 3.25Å; E302-T305 WeakPolarHBondContact OE2-CG2 3.38Å; E302-T305 PolarHBondContact OE2-OG1 2.82Å; E302-G306 WeakPolarHBondContact O-CA 3.49Å; E302-G306 PolarHBondContact O-N 3.17Å; E302-A307 HydrophobicContact CB-CB 4.44Å; E302-A307 PolarHBondContact N-O 2.71Å
303V76.8Confident74.4Confident84 Ų8434.7 Ų34.751%0.50921%0.211SC..THydrogen-bonded Turntrans-66.2-33.6-170.3177.90000112.4D270 Q272 L301D270-V303 HydrophobicContact CB-CB 3.82Å; D270-V303 HydrophobicContact CB-CG2 4.09Å; D270-V303 WeakPolarHBondContact O-CG2 3.41Å; D270-V303 PolarHBondContact O-N 2.87Å; Q272-V303 HydrophobicContact CB-CG2 3.96Å; L301-V303 PolarHBondContact O-N 3.46Å
304K74.1Confident75.5Confident122 Ų12233.9 Ų33.953%0.5321%0.205SC..THydrogen-bonded Turntrans-77.2-33-177.5-72.1175.4-178.61550113.8F268 D270 E302F268-K304 PolarHBondContact O-NZ 3.47Å; D270-K304 WeakPolarHBondContact OD2-CE 3.15Å; D270-K304 IonicContact OD2-NZ 2.62Å; D270-K304 PolarHBondContact OD2-NZ 3.04Å; D270-K304 VanDerWaalsContact OD2-NZ 3.11Å; E302-K304 VanDerWaalsContact C-N 3.33Å; E302-K304 PolarHBondContact O-N 3.38Å
305T76.4Confident75.9Confident85 Ų8532.4 Ų32.452%0.52120%0.195SC..THydrogen-bonded Turntrans-108.5-20.3-172.763.50000113.3E302 A307E302-T305 WeakPolarHBondContact CB-OG1 3.48Å; E302-T305 VanDerWaalsContact CD-CG2 3.5Å; E302-T305 HydrophobicContact CG-CG2 4.33Å; E302-T305 WeakPolarHBondContact CG-OG1 3.38Å; E302-T305 PolarHBondContact O-N 3.21Å; E302-T305 WeakPolarHBondContact OE2-CB 3.43Å; E302-T305 VanDerWaalsContact OE2-CG2 3.25Å; E302-T305 WeakPolarHBondContact OE2-CG2 3.38Å; E302-T305 PolarHBondContact OE2-OG1 2.82Å; T305-A307 PolarHBondContact O-N 3.15Å; T305-A307 VanDerWaalsContact OG1-CB 3.25Å; T305-A307 WeakPolarHBondContact OG1-CB 3.33Å; T305-A307 PolarHBondContact OG1-N 3.06Å
306G76.4Confident76.1Confident50 Ų5030.8 Ų30.852%0.51518%0.184SC..  trans71.111.4-167.600000113.7L301 E302L301-G306 VanDerWaalsContact CD2-O 3.23Å; L301-G306 WeakPolarHBondContact CD2-O 3.34Å; E302-G306 WeakPolarHBondContact O-CA 3.49Å; E302-G306 PolarHBondContact O-N 3.17Å
307A73.3Confident75.8Confident41 Ų4133.2 Ų33.234%0.33920%0.195SC..  trans-71.2129.9179.200000111.1L301 E302 T305L301-A307 WeakPolarHBondContact CA-O 3.34Å; E302-A307 HydrophobicContact CB-CB 4.44Å; E302-A307 PolarHBondContact N-O 2.71Å; T305-A307 PolarHBondContact O-N 3.15Å; T305-A307 VanDerWaalsContact OG1-CB 3.25Å; T305-A307 WeakPolarHBondContact OG1-CB 3.33Å; T305-A307 PolarHBondContact OG1-N 3.06Å
308S78.3Confident75.2Confident46 Ų4633.5 Ų33.532%0.32220%0.198SC..EExtended strand (participates in β ladder)trans-80.1130.5173.4-166.70000110.4G300 R390G300-S308 WeakPolarHBondContact O-CA 3.47Å; G300-S308 PolarHBondContact O-OG 3.3Å; S308-R390 VanDerWaalsContact O-CB 3.28Å; S308-R390 WeakPolarHBondContact O-CB 3.46Å; S308-R390 PolarHBondContact O-N 3.29Å; S308-R390 WeakPolarHBondContact OG-CD 3.2Å; S308-R390 PolarHBondContact OG-NH1 3.48Å
309I83.2Confident74Confident2 Ų238.3 Ų38.31%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-128163.9-172.854.1172.7000109.9I271 G300 L352 I387 T388I271-I309 HydrophobicContact CB-CD1 4.42Å; I271-I309 HydrophobicContact CG1-CD1 3.98Å; I271-I309 HydrophobicContact CG2-CD1 3.86Å; G300-I309 PolarHBondContact N-O 2.96Å; G300-I309 PolarHBondContact O-N 2.97Å; I309-L352 HydrophobicContact CG2-CD1 3.52Å; I309-I387 HydrophobicContact CB-CG2 3.94Å; I309-I387 HydrophobicContact CD1-CG2 3.8Å; I309-I387 HydrophobicContact CG1-CG2 4.36Å; I309-I387 HydrophobicContact CG2-CG2 4.33Å; I309-T388 CarbonylContact C-O 3.58Å; I309-T388 WeakPolarHBondContact CA-O 3.43Å; I309-T388 WeakPolarHBondContact CB-O 3.35Å
310Q81.4Confident72.9Confident13 Ų1337.5 Ų37.56%0.06122%0.222CC..EExtended strand (participates in β ladder)trans-123.5115.9175-177.51688400108.5F298 H312 T388F298-Q310 CarbonylContact O-C 3.42Å; F298-Q310 WeakPolarHBondContact O-CA 3.43Å; Q310-H312 PolarHBondContact O-CD2 3.38Å; Q310-H312 VanDerWaalsContact O-CD2 3.27Å; Q310-T388 PolarHBondContact N-O 3.2Å; Q310-T388 PolarHBondContact O-N 3.24Å; Q310-T388 PolarHBondContact O-OG1 3.2Å
311L79.9Confident71.3Confident3 Ų340.7 Ų40.72%0.01625%0.248CC..EExtended strand (participates in β ladder)trans-89.5136175.5179.475.2000109L237 R273 Y297 F298 E313 R385 L386 I387L237-L311 HydrophobicContact CD1-CD2 4.02Å; R273-L311 HydrophobicContact CG-CD2 4.17Å; Y297-L311 CarbonylContact C-O 3.15Å; Y297-L311 WeakPolarHBondContact CA-O 3.34Å; F298-L311 HydrophobicContact CB-CB 4.26Å; F298-L311 HydrophobicContact CD2-CD2 4.47Å; F298-L311 PolarHBondContact N-O 3Å; F298-L311 PolarHBondContact O-N 2.64Å; L311-E313 HydrophobicContact CD2-CG 4.23Å; L311-E313 HydrophobicContact CG-CG 4.34Å; L311-R385 HydrophobicContact CD1-CB 4.16Å; L311-L386 CarbonylContact C-O 3.59Å; L311-I387 HydrophobicContact CD1-CG1 3.89Å
312H78.8Confident69.7Low3 Ų342.5 Ų42.51%0.01425%0.25CS..EExtended strand (participates in β ladder)trans-116.8123.3177.6-54.4-130.4000106.4Y297 Q310 W314 R385 L386 T388Y297-H312 AromaticContact CD1-CE1 3.8Å; Y297-H312 AromaticContact CD1-CG 3.94Å; Y297-H312 AromaticContact CD1-ND1 3.42Å; Y297-H312 WeakPolarHBondContact CD1-ND1 3.2Å; Y297-H312 AromaticContact CE1-CE1 3.71Å; Y297-H312 AromaticContact CE1-ND1 3.19Å; Y297-H312 WeakPolarHBondContact CE1-ND1 3.27Å; Q310-H312 PolarHBondContact O-CD2 3.38Å; Q310-H312 VanDerWaalsContact O-CD2 3.27Å; H312-W314 HydrophobicContact CB-CH2 4.12Å; H312-W314 HydrophobicContact CB-CZ3 4.33Å; H312-R385 CarbonylContact O-C 3.57Å; H312-R385 WeakPolarHBondContact O-CA 3.31Å; H312-L386 HydrophobicContact CB-CB 4.35Å; H312-L386 HydrophobicContact CB-CD2 4.03Å; H312-L386 PolarHBondContact CD2-O 3.13Å; H312-L386 PolarHBondContact N-O 3.3Å; H312-L386 PolarHBondContact O-N 2.71Å; H312-T388 PolarHBondContact NE2-OG1 3.28Å
313E75.5Confident67.9Low6 Ų643.8 Ų43.83%0.02826%0.257CS..EExtended strand (participates in β ladder)trans-116.8124176.9-75.3-169.9143.700110.4L228 R273 V295 C296 F298 L311 R385L228-E313 HydrophobicContact CD2-CB 4.44Å; L228-E313 WeakPolarHBondContact CD2-OE2 3.46Å; R273-E313 IonicContact CZ-OE1 3.52Å; R273-E313 IonicContact CZ-OE2 3.55Å; R273-E313 VanDerWaalsContact CZ-OE2 3.27Å; R273-E313 IonicContact NH1-OE1 3.92Å; R273-E313 IonicContact NH1-OE2 3.61Å; R273-E313 IonicContact NH2-OE1 2.78Å; R273-E313 IonicContact NH2-OE2 3.72Å; R273-E313 PolarHBondContact NH2-OE2 3.19Å; V295-E313 WeakPolarHBondContact CA-O 3.36Å; C296-E313 PolarHBondContact N-O 3.35Å; C296-E313 PolarHBondContact O-N 3.09Å; F298-E313 HydrophobicContact CE2-CB 4.38Å; F298-E313 HydrophobicContact CE2-CG 4.4Å; F298-E313 WeakPolarHBondContact CE2-OE2 3.34Å; L311-E313 HydrophobicContact CD2-CG 4.23Å; L311-E313 HydrophobicContact CG-CG 4.34Å; E313-R385 HydrophobicContact CG-CG 4.14Å; E313-R385 IonicContact OE1-CZ 2.81Å; E313-R385 IonicContact OE1-NE 2.57Å; E313-R385 PolarHBondContact OE1-NE 2.69Å; E313-R385 IonicContact OE1-NH2 2.76Å
314W75.6Confident66.1Low11 Ų1144.3 Ų44.34%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-105.1131.6166.5-61.6-90.6000109.8C294 H312 F316 F332 L336 V383 V384 L386C294-W314 CarbonylContact O-C 3.43Å; C294-W314 WeakPolarHBondContact O-CA 3.31Å; H312-W314 HydrophobicContact CB-CH2 4.12Å; H312-W314 HydrophobicContact CB-CZ3 4.33Å; W314-F316 HydrophobicContact CB-CD2 4.39Å; W314-F316 HydrophobicContact CB-CE2 3.54Å; W314-F316 HydrophobicContact CB-CZ 3.94Å; W314-F332 HydrophobicContact CD2-CZ 4.41Å; W314-L336 HydrophobicContact CH2-CD1 4.31Å; W314-L336 HydrophobicContact CZ3-CD1 4.13Å; W314-V383 CarbonylContact O-C 3.59Å; W314-V383 WeakPolarHBondContact O-CA 3.18Å; W314-V384 HydrophobicContact CB-CB 4.47Å; W314-V384 HydrophobicContact CE3-CB 4.21Å; W314-V384 HydrophobicContact CE3-CG1 4.06Å; W314-V384 HydrophobicContact CZ3-CG1 4.45Å; W314-V384 PolarHBondContact N-O 2.83Å; W314-V384 PolarHBondContact O-N 3.19Å; W314-L386 HydrophobicContact CH2-CB 3.92Å; W314-L386 HydrophobicContact CH2-CD1 4.44Å; W314-L386 HydrophobicContact CH2-CD2 4.27Å; W314-L386 HydrophobicContact CH2-CG 4.45Å; W314-L386 HydrophobicContact CZ3-CB 3.57Å
315V68.3Low64.8Low11 Ų1141.6 Ų41.67%0.06726%0.257CS..EExtended strand (participates in β ladder)trans-121.2122.9-176.5-179.40000110L228 P293 C294 W381 V383L228-V315 HydrophobicContact CD1-CG2 4.38Å; L228-V315 HydrophobicContact CD2-CG2 4.39Å; P293-V315 VanDerWaalsContact CA-O 3.26Å; P293-V315 WeakPolarHBondContact CA-O 3.48Å; C294-V315 HydrophobicContact CB-CB 4.27Å; C294-V315 PolarHBondContact N-O 3.4Å; C294-V315 VanDerWaalsContact N-O 3.11Å; C294-V315 PolarHBondContact O-N 3.44Å; V315-W381 HydrophobicContact CG1-CD2 4.28Å; V315-W381 HydrophobicContact CG1-CE3 3.51Å; V315-W381 HydrophobicContact CG1-CZ3 3.98Å; V315-V383 HydrophobicContact CG1-CG2 4.35Å; V315-V383 HydrophobicContact CG2-CG1 4.27Å; V315-V383 HydrophobicContact CG2-CG2 4.19Å
316F67.5Low63.5Low8 Ų842.4 Ų42.44%0.03526%0.258CS..EExtended strand (participates in β ladder)trans-123.2137.2-173.7-56.3-97.8000111P293 W314 L323 F328 L329 F332 W381 D382 V384P293-F316 HydrophobicContact CB-CD1 3.74Å; P293-F316 HydrophobicContact CB-CE1 3.63Å; P293-F316 HydrophobicContact CB-CG 4.3Å; P293-F316 HydrophobicContact CB-CZ 4.1Å; P293-F316 HydrophobicContact CG-CD1 4.4Å; P293-F316 HydrophobicContact CG-CE1 3.94Å; W314-F316 HydrophobicContact CB-CD2 4.39Å; W314-F316 HydrophobicContact CB-CE2 3.54Å; W314-F316 HydrophobicContact CB-CZ 3.94Å; F316-L323 HydrophobicContact CB-CD1 3.94Å; F316-L323 HydrophobicContact CD1-CD1 4.28Å; F316-F328 HydrophobicContact CE1-CE1 4.23Å; F316-L329 HydrophobicContact CD2-CD1 4.23Å; F316-L329 HydrophobicContact CE2-CD1 4.27Å; F316-L329 HydrophobicContact CG-CD1 4.49Å; F316-F332 HydrophobicContact CZ-CE1 4.19Å; F316-F332 HydrophobicContact CZ-CZ 4.4Å; F316-W381 VanDerWaalsContact C-CE3 3.47Å; F316-W381 CarbonylContact O-C 3.55Å; F316-W381 WeakPolarHBondContact O-CA 3.49Å; F316-D382 HydrophobicContact CB-CB 4.43Å; F316-D382 PolarHBondContact N-O 3.42Å; F316-D382 PolarHBondContact O-N 2.91Å; F316-V384 HydrophobicContact CD2-CG2 4.45Å; F316-V384 HydrophobicContact CE2-CB 4.36Å; F316-V384 HydrophobicContact CE2-CG2 3.89Å
317H63.3Low62.5Low57 Ų5745.7 Ų45.726%0.26426%0.264SS..EExtended strand (participates in β ladder)trans-87.4119.3177.2-175-109.6000110.9N319 S320 N380 W381H317-N319 VanDerWaalsContact C-N 3.32Å; H317-N319 PolarHBondContact O-N 3.26Å; H317-S320 WeakPolarHBondContact O-CB 3.29Å; H317-S320 PolarHBondContact O-N 3.31Å; H317-N380 CarbonylContact C-O 3.59Å; H317-N380 WeakPolarHBondContact CA-O 3.46Å; H317-N380 PolarHBondContact CD2-O 2.85Å; H317-W381 HydrophobicContact CB-CD2 4.36Å; H317-W381 HydrophobicContact CB-CE3 3.89Å; H317-W381 HydrophobicContact CB-CH2 4.02Å; H317-W381 HydrophobicContact CB-CZ2 4.45Å; H317-W381 HydrophobicContact CB-CZ3 3.71Å; H317-W381 AromaticContact CD2-CE2 3.69Å; H317-W381 AromaticContact CD2-CZ2 3.78Å
318T59.8Low61.8Low24 Ų2444.5 Ų44.515%0.14725%0.251CS..THydrogen-bonded Turntrans-68.8-30.6-170.870.20000113S320 N359 N380 D382T318-S320 PolarHBondContact O-N 2.98Å; T318-N359 PolarHBondContact OG1-OD1 2.97Å; T318-N380 PolarHBondContact N-O 3.45Å; T318-N380 WeakPolarHBondContact OG1-CA 3.36Å; T318-N380 WeakPolarHBondContact OG1-CB 3.45Å; T318-N380 PolarHBondContact OG1-OD1 2.97Å; T318-D382 HydrophobicContact CG2-CB 4.21Å; T318-D382 VanDerWaalsContact CG2-OD1 3.24Å; T318-D382 WeakPolarHBondContact CG2-OD1 3.47Å; T318-D382 WeakPolarHBondContact CG2-OD2 3.38Å
319N50.7Low61.1Low105 Ų10542.8 Ų42.856%0.56124%0.238SC*.THydrogen-bonded Turntrans-79.611.7173.3-89.6-29.4000113.6H317 A321 N380H317-N319 VanDerWaalsContact C-N 3.32Å; H317-N319 PolarHBondContact O-N 3.26Å; N319-A321 PolarHBondContact O-N 3.36Å; N319-N380 HydrophobicContact CB-CB 4.35Å; N319-N380 PolarHBondContact ND2-ND2 2.98Å; N319-N380 PolarHBondContact ND2-OD1 2.89Å
320S52.8Low60.2Low27 Ų2744.2 Ų44.219%0.18925%0.246CC..  trans-65.9114.3161.5179.90000109.3H317 T318 Y322 L323H317-S320 WeakPolarHBondContact O-CB 3.29Å; H317-S320 PolarHBondContact O-N 3.31Å; T318-S320 PolarHBondContact O-N 2.98Å; S320-Y322 PolarHBondContact O-N 3.45Å; S320-L323 PolarHBondContact O-N 2.9Å
321A42.9Very low59.3Low73 Ų7344.7 Ų44.760%0.60325%0.251SS*.THydrogen-bonded Turntrans-610.1-178.700000115.1N319 T324N319-A321 PolarHBondContact O-N 3.36Å; A321-T324 PolarHBondContact O-OG1 2.82Å
322Y46.1Very low58.7Low113 Ų11344.7 Ų44.744%0.44325%0.251SS..THydrogen-bonded Turntrans-107.7-9.4178.9-52.6-81.7000113.2S320S320-Y322 PolarHBondContact O-N 3.45Å
323L44Very low58.1Low36 Ų3644.7 Ų44.719%0.18825%0.251CS..THydrogen-bonded Turntrans-98.2-10.2173.2-74.6171.5000113F316 S320 S325 F328F316-L323 HydrophobicContact CB-CD1 3.94Å; F316-L323 HydrophobicContact CD1-CD1 4.28Å; S320-L323 PolarHBondContact O-N 2.9Å; L323-S325 CarbonylContact O-C 3.37Å; L323-S325 PolarHBondContact O-N 3.33Å; L323-S325 VanDerWaalsContact O-N 3.09Å; L323-F328 HydrophobicContact CD2-CB 4.32Å; L323-F328 HydrophobicContact CD2-CD1 3.28Å; L323-F328 HydrophobicContact CD2-CE1 3.84Å; L323-F328 HydrophobicContact CD2-CG 3.95Å
324T40.7Very low57.7Low94 Ų9445.5 Ų45.558%0.57726%0.256SS*.  trans-68.5-5.5-17552.30000115.1A321 N326A321-T324 PolarHBondContact O-OG1 2.82Å; T324-N326 PolarHBondContact O-N 3.02Å
325S45.9Very low57.2Low65 Ų6547.9 Ų47.946%0.45527%0.268SS..SBendtrans-83.8102154.267.50000109L323 N327 F328L323-S325 CarbonylContact O-C 3.37Å; L323-S325 PolarHBondContact O-N 3.33Å; L323-S325 VanDerWaalsContact O-N 3.09Å; S325-N327 PolarHBondContact O-N 3.41Å; S325-F328 PolarHBondContact O-N 2.91Å
326N48.9Very low57.3Low103 Ų10347.4 Ų47.455%0.55127%0.265SS*.THydrogen-bonded Turntrans-40.3-38.4176.9-64.1-4000112.7T324 F328 L329 D330T324-N326 PolarHBondContact O-N 3.02Å; N326-F328 PolarHBondContact O-N 3.43Å; N326-L329 PolarHBondContact O-N 3.48Å; N326-D330 VanDerWaalsContact C-OD2 3.32Å; N326-D330 VanDerWaalsContact O-CG 3.31Å; N326-D330 PolarHBondContact O-N 3.42Å; N326-D330 VanDerWaalsContact O-N 3.08Å
327N55.4Low57.4Low119 Ų11947.1 Ų47.164%0.63626%0.264SS*.Hα-helixtrans-41.3-28.2170.6-60.54.1000116.6S325 S331S325-N327 PolarHBondContact O-N 3.41Å; N327-S331 WeakPolarHBondContact O-CB 3.23Å; N327-S331 PolarHBondContact O-N 2.89Å
328F59.5Low57.7Low16 Ų1646 Ų467%0.0726%0.258CS..Hα-helixtrans-73.5-56.4176.8177.6-87.8000111.7F316 L323 S325 N326 D330 S331 F332 R480 L481 I484F316-F328 HydrophobicContact CE1-CE1 4.23Å; L323-F328 HydrophobicContact CD2-CB 4.32Å; L323-F328 HydrophobicContact CD2-CD1 3.28Å; L323-F328 HydrophobicContact CD2-CE1 3.84Å; L323-F328 HydrophobicContact CD2-CG 3.95Å; S325-F328 PolarHBondContact O-N 2.91Å; N326-F328 PolarHBondContact O-N 3.43Å; F328-D330 VanDerWaalsContact C-N 3.28Å; F328-D330 PolarHBondContact O-N 2.87Å; F328-S331 PolarHBondContact O-N 3.5Å; F328-F332 HydrophobicContact CE1-CB 4.41Å; F328-F332 WeakPolarHBondContact O-CB 3.28Å; F328-F332 PolarHBondContact O-N 2.92Å; F328-R480 HydrophobicContact CE2-CB 4.27Å; F328-L481 HydrophobicContact CZ-CD2 3.78Å; F328-L481 HydrophobicContact CZ-CG 4.04Å; F328-I484 HydrophobicContact CD2-CD1 3.94Å; F328-I484 HydrophobicContact CE2-CD1 4.04Å
329L63.3Low58.3Low9 Ų945.2 Ų45.25%0.04725%0.252CS..Hα-helixtrans-65.9-38.1-177.7-158.677.2000109.9F316 N326 F332 L333 R358 D382 V384F316-L329 HydrophobicContact CD2-CD1 4.23Å; F316-L329 HydrophobicContact CE2-CD1 4.27Å; F316-L329 HydrophobicContact CG-CD1 4.49Å; N326-L329 PolarHBondContact O-N 3.48Å; L329-F332 PolarHBondContact O-N 3.41Å; L329-L333 HydrophobicContact CG-CD1 4.25Å; L329-L333 WeakPolarHBondContact O-CB 3.47Å; L329-L333 VanDerWaalsContact O-CG 3.25Å; L329-L333 WeakPolarHBondContact O-CG 3.49Å; L329-L333 PolarHBondContact O-N 3.4Å; L329-R358 HydrophobicContact CD2-CG 4.49Å; L329-D382 HydrophobicContact CD2-CB 4.23Å; L329-V384 HydrophobicContact CD1-CG2 4.39Å
330D63.5Low59.1Low32 Ų3240.8 Ų40.817%0.17123%0.231CC..Hα-helixtrans-64.6-41.9174.1-60.4-28.8000111.8N326 F328 T334 R358N326-D330 VanDerWaalsContact C-OD2 3.32Å; N326-D330 VanDerWaalsContact O-CG 3.31Å; N326-D330 PolarHBondContact O-N 3.42Å; N326-D330 VanDerWaalsContact O-N 3.08Å; F328-D330 VanDerWaalsContact C-N 3.28Å; F328-D330 PolarHBondContact O-N 2.87Å; D330-T334 WeakPolarHBondContact O-CB 3.48Å; D330-T334 PolarHBondContact O-N 3.18Å; D330-T334 PolarHBondContact O-OG1 3.11Å; D330-R358 IonicContact OD1-CZ 2.71Å; D330-R358 IonicContact OD1-NH1 3.78Å; D330-R358 IonicContact OD1-NH2 3.83Å; D330-R358 PolarHBondContact OD1-NH2 3.21Å
331S62.8Low59.7Low23 Ų2342 Ų4216%0.16123%0.231CC..Hα-helixtrans-64.1-42.9173.8-179.10000111.7N327 F328 T334 Q335 R480N327-S331 WeakPolarHBondContact O-CB 3.23Å; N327-S331 PolarHBondContact O-N 2.89Å; F328-S331 PolarHBondContact O-N 3.5Å; S331-T334 PolarHBondContact O-N 2.87Å; S331-Q335 WeakPolarHBondContact O-CB 3.26Å; S331-Q335 VanDerWaalsContact O-CG 3.22Å; S331-Q335 WeakPolarHBondContact O-CG 3.4Å; S331-Q335 PolarHBondContact O-N 3.11Å; S331-Q335 PolarHBondContact O-OE1 3Å; S331-Q335 PolarHBondContact OG-OE1 3.29Å; S331-R480 PolarHBondContact OG-NH1 3.35Å
332F66.4Low61Low3 Ų340.7 Ų40.71%0.01321%0.212CC..Hα-helixtrans-60.9-51.5178.2-178.4-102.5000110.5W314 F316 F328 L329 T334 Q335 L336 V384 F477 L481W314-F332 HydrophobicContact CD2-CZ 4.41Å; F316-F332 HydrophobicContact CZ-CE1 4.19Å; F316-F332 HydrophobicContact CZ-CZ 4.4Å; F328-F332 HydrophobicContact CE1-CB 4.41Å; F328-F332 WeakPolarHBondContact O-CB 3.28Å; F328-F332 PolarHBondContact O-N 2.92Å; L329-F332 PolarHBondContact O-N 3.41Å; F332-T334 PolarHBondContact O-N 2.99Å; F332-Q335 PolarHBondContact O-N 2.89Å; F332-L336 HydrophobicContact CD1-CD1 4.4Å; F332-L336 HydrophobicContact CE1-CD1 3.74Å; F332-L336 HydrophobicContact CZ-CD1 3.83Å; F332-L336 WeakPolarHBondContact O-CB 3.4Å; F332-L336 PolarHBondContact O-N 2.85Å; F332-V384 HydrophobicContact CE1-CB 4.43Å; F332-V384 HydrophobicContact CE1-CG1 4.17Å; F332-V384 HydrophobicContact CE1-CG2 4.31Å; F332-F477 AromaticContact CD2-CD1 3.68Å; F332-F477 HydrophobicContact CD2-CD1 3.68Å; F332-F477 HydrophobicContact CD2-CE1 4.36Å; F332-F477 HydrophobicContact CD2-CG 4.41Å; F332-F477 HydrophobicContact CE2-CB 3.99Å; F332-F477 AromaticContact CE2-CD1 3.85Å; F332-F477 HydrophobicContact CE2-CD1 3.85Å; F332-F477 HydrophobicContact CE2-CG 4.3Å; F332-L481 HydrophobicContact CE2-CD1 4.44Å
333L67.7Low61.8Low3 Ų342 Ų422%0.01623%0.227CC..Hα-helixtrans-63.5-40.9177.1-68.1168.1000112.4L329 Q335 L336 A337 C356 V384L329-L333 HydrophobicContact CG-CD1 4.25Å; L329-L333 WeakPolarHBondContact O-CB 3.47Å; L329-L333 VanDerWaalsContact O-CG 3.25Å; L329-L333 WeakPolarHBondContact O-CG 3.49Å; L329-L333 PolarHBondContact O-N 3.4Å; L333-Q335 PolarHBondContact O-N 3.07Å; L333-L336 PolarHBondContact O-N 3.17Å; L333-A337 WeakPolarHBondContact O-CB 3.38Å; L333-A337 PolarHBondContact O-N 3.16Å; L333-C356 HydrophobicContact CD1-CB 3.76Å; L333-C356 HydrophobicContact CD2-CB 3.81Å; L333-C356 HydrophobicContact CG-CB 4.45Å; L333-V384 HydrophobicContact CD2-CG1 3.96Å; L333-V384 HydrophobicContact CD2-CG2 4.12Å
334T65.9Low63.1Low23 Ų2344.4 Ų44.414%0.14124%0.236CC..Hα-helixtrans-60.6-44.9175.5-620000111.2A186 S190 D330 S331 F332 Y338A186-T334 HydrophobicContact CB-CG2 3.71Å; S190-T334 WeakPolarHBondContact CB-OG1 3.23Å; S190-T334 PolarHBondContact OG-OG1 3.39Å; D330-T334 WeakPolarHBondContact O-CB 3.48Å; D330-T334 PolarHBondContact O-N 3.18Å; D330-T334 PolarHBondContact O-OG1 3.11Å; S331-T334 PolarHBondContact O-N 2.87Å; F332-T334 PolarHBondContact O-N 2.99Å; T334-Y338 WeakPolarHBondContact O-CB 3.45Å; T334-Y338 PolarHBondContact O-N 3.13Å
335Q66.7Low65.1Low61 Ų6141.2 Ų41.229%0.28521%0.214SC..Hα-helixtrans-72-36.4180-70.3172.4-69.900112S331 F332 L333 Y338 F339 F477S331-Q335 WeakPolarHBondContact O-CB 3.26Å; S331-Q335 VanDerWaalsContact O-CG 3.22Å; S331-Q335 WeakPolarHBondContact O-CG 3.4Å; S331-Q335 PolarHBondContact O-N 3.11Å; S331-Q335 PolarHBondContact O-OE1 3Å; S331-Q335 PolarHBondContact OG-OE1 3.29Å; F332-Q335 PolarHBondContact O-N 2.89Å; L333-Q335 PolarHBondContact O-N 3.07Å; Q335-Y338 PolarHBondContact O-N 2.82Å; Q335-F339 WeakPolarHBondContact O-CB 3.14Å; Q335-F339 PolarHBondContact O-N 3.36Å; Q335-F477 HydrophobicContact CB-CE2 3.93Å; Q335-F477 HydrophobicContact CB-CZ 4.06Å; Q335-F477 HydrophobicContact CG-CZ 4.37Å
336L70.4Confident66.9Low1 Ų141.8 Ų41.81%0.00522%0.217CC..Hα-helixtrans-72-39.2178.1-159.9157000111.4W314 F332 L333 A340 V354 L386W314-L336 HydrophobicContact CH2-CD1 4.31Å; W314-L336 HydrophobicContact CZ3-CD1 4.13Å; F332-L336 HydrophobicContact CD1-CD1 4.4Å; F332-L336 HydrophobicContact CE1-CD1 3.74Å; F332-L336 HydrophobicContact CZ-CD1 3.83Å; F332-L336 WeakPolarHBondContact O-CB 3.4Å; F332-L336 PolarHBondContact O-N 2.85Å; L333-L336 PolarHBondContact O-N 3.17Å; L336-A340 VanDerWaalsContact O-CB 3.28Å; L336-A340 WeakPolarHBondContact O-CB 3.4Å; L336-A340 PolarHBondContact O-N 3.37Å; L336-V354 HydrophobicContact CD2-CB 4.4Å; L336-V354 HydrophobicContact CD2-CG1 3.8Å; L336-V354 HydrophobicContact CD2-CG2 3.62Å; L336-L386 HydrophobicContact CD2-CD1 3.66Å; L336-L386 HydrophobicContact CG-CD1 4.44Å
337A68.7Low68.7Low3 Ų337.4 Ų37.43%0.02519%0.193CC..Hα-helixtrans-68-36.7170.900000112.8F193 L333 R341F193-A337 HydrophobicContact CD2-CB 4.26Å; F193-A337 HydrophobicContact CE2-CB 3.77Å; L333-A337 WeakPolarHBondContact O-CB 3.38Å; L333-A337 PolarHBondContact O-N 3.16Å; A337-R341 PolarHBondContact O-N 3.43Å
338Y68.7Low70.1Confident32 Ų3231.9 Ų31.913%0.12516%0.164CC..Hα-helixtrans-63.7-46174.1179.6-104.9000111.6E179 T334 Q335 R341 Q342 Y450E179-Y338 HydrophobicContact CG-CE2 4.24Å; E179-Y338 WeakPolarHBondContact CG-OH 3.48Å; E179-Y338 PolarHBondContact OE1-OH 3.42Å; T334-Y338 WeakPolarHBondContact O-CB 3.45Å; T334-Y338 PolarHBondContact O-N 3.13Å; Q335-Y338 PolarHBondContact O-N 2.82Å; Y338-R341 PolarHBondContact O-N 2.93Å; Y338-Q342 VanDerWaalsContact CZ-NE2 3.25Å; Y338-Q342 WeakPolarHBondContact O-CG 3.32Å; Y338-Q342 PolarHBondContact O-N 3.31Å; Y338-Q342 PolarHBondContact O-NE2 3.06Å; Y338-Q342 VanDerWaalsContact O-NE2 3.16Å; Y338-Y450 HydrophobicContact CE1-CD1 4.05Å; Y338-Y450 HydrophobicContact CE1-CE1 4.11Å
339F72.8Confident71Confident8 Ų831.2 Ų31.24%0.03516%0.161CC..Hα-helixtrans-62.8-46.9175.4177.6-95.8000112.4Q335 R341 Q342 I351 W446 L447 Y450 F452 Y475Q335-F339 WeakPolarHBondContact O-CB 3.14Å; Q335-F339 PolarHBondContact O-N 3.36Å; F339-R341 PolarHBondContact O-N 2.88Å; F339-R341 VanDerWaalsContact O-N 3.12Å; F339-Q342 PolarHBondContact O-N 2.94Å; F339-Q342 VanDerWaalsContact O-N 3.08Å; F339-I351 HydrophobicContact CD1-CD1 3.64Å; F339-I351 HydrophobicContact CE1-CD1 3.68Å; F339-W446 HydrophobicContact CD2-CH2 4.36Å; F339-W446 HydrophobicContact CD2-CZ3 4.23Å; F339-W446 HydrophobicContact CE2-CE3 4.23Å; F339-W446 AromaticContact CE2-CH2 3.88Å; F339-W446 HydrophobicContact CE2-CH2 3.88Å; F339-W446 AromaticContact CE2-CZ3 3.34Å; F339-W446 HydrophobicContact CE2-CZ3 3.34Å; F339-W446 HydrophobicContact CZ-CH2 4.24Å; F339-W446 AromaticContact CZ-CZ3 3.62Å; F339-W446 HydrophobicContact CZ-CZ3 3.62Å; F339-L447 HydrophobicContact CE2-CD2 4.08Å; F339-L447 HydrophobicContact CZ-CD2 3.78Å; F339-Y450 HydrophobicContact CD2-CG 4.32Å; F339-F452 HydrophobicContact CB-CD2 4.31Å; F339-F452 HydrophobicContact CB-CE2 3.44Å; F339-F452 VanDerWaalsContact CB-CE2 3.44Å; F339-F452 HydrophobicContact CB-CZ 3.91Å; F339-F452 HydrophobicContact CD1-CD2 4.32Å; F339-F452 HydrophobicContact CD1-CE1 4.03Å; F339-F452 AromaticContact CD1-CE2 3.7Å; F339-F452 HydrophobicContact CD1-CE2 3.7Å; F339-F452 AromaticContact CD1-CZ 3.53Å; F339-F452 HydrophobicContact CD1-CZ 3.53Å; F339-F452 AromaticContact CD2-CD2 3.36Å; F339-F452 HydrophobicContact CD2-CD2 3.36Å; F339-F452 AromaticContact CD2-CE2 3.35Å; F339-F452 HydrophobicContact CD2-CE2 3.35Å; F339-F452 HydrophobicContact CD2-CG 4.1Å; F339-F452 HydrophobicContact CD2-CZ 4.06Å; F339-F452 HydrophobicContact CE1-CD1 4.28Å; F339-F452 HydrophobicContact CE1-CD2 4.49Å; F339-F452 AromaticContact CE1-CE1 3.99Å; F339-F452 HydrophobicContact CE1-CE1 3.99Å; F339-F452 HydrophobicContact CE1-CE2 4.23Å; F339-F452 AromaticContact CE1-CZ 3.97Å; F339-F452 HydrophobicContact CE1-CZ 3.97Å; F339-F452 HydrophobicContact CE2-CB 4.3Å; F339-F452 HydrophobicContact CE2-CD1 4.32Å; F339-F452 AromaticContact CE2-CD2 3.54Å; F339-F452 HydrophobicContact CE2-CD2 3.54Å; F339-F452 AromaticContact CE2-CE2 3.89Å; F339-F452 HydrophobicContact CE2-CE2 3.89Å; F339-F452 AromaticContact CE2-CG 3.8Å; F339-F452 HydrophobicContact CE2-CG 3.8Å; F339-F452 HydrophobicContact CE2-CZ 4.42Å; F339-F452 AromaticContact CG-CD2 3.77Å; F339-F452 HydrophobicContact CG-CD2 3.77Å; F339-F452 HydrophobicContact CG-CE1 4.38Å; F339-F452 AromaticContact CG-CE2 3.21Å; F339-F452 HydrophobicContact CG-CE2 3.21Å; F339-F452 AromaticContact CG-CZ 3.57Å; F339-F452 HydrophobicContact CG-CZ 3.57Å; F339-F452 HydrophobicContact CZ-CD1 4.1Å; F339-F452 HydrophobicContact CZ-CD2 4.12Å; F339-F452 HydrophobicContact CZ-CE1 4.27Å; F339-F452 HydrophobicContact CZ-CE2 4.3Å; F339-F452 HydrophobicContact CZ-CG 4.04Å; F339-F452 HydrophobicContact CZ-CZ 4.37Å; F339-Y475 AromaticContact CE1-CE2 3.9Å; F339-Y475 HydrophobicContact CE1-CE2 3.9Å; F339-Y475 HydrophobicContact CZ-CD2 4.42Å; F339-Y475 AromaticContact CZ-CE2 3.99Å; F339-Y475 HydrophobicContact CZ-CE2 3.99Å
340A68.4Low71.6Confident13 Ų1335.5 Ų35.511%0.10718%0.177CC..Hα-helixtrans-63.5-18.5179.100000113.4L242 L336 I351 V354L242-A340 HydrophobicContact CD1-CB 4.38Å; L242-A340 HydrophobicContact CD2-CB 3.62Å; L242-A340 WeakPolarHBondContact CD2-O 3.19Å; L336-A340 VanDerWaalsContact O-CB 3.28Å; L336-A340 WeakPolarHBondContact O-CB 3.4Å; L336-A340 PolarHBondContact O-N 3.37Å; A340-I351 HydrophobicContact CB-CB 4.32Å; A340-I351 HydrophobicContact CB-CD1 3.87Å; A340-I351 HydrophobicContact CB-CG2 3.98Å; A340-V354 HydrophobicContact CB-CG2 4.49Å
341R66.2Low72.4Confident51 Ų5134.9 Ų34.919%0.19217%0.173CC..Hα-helixtrans-83.8-24.9174-92.8173.7147.2-145.8-2.8115E185 L189 K246 A337 Y338 F339E185-R341 IonicContact OE2-CZ 2.71Å; E185-R341 IonicContact OE2-NH1 3.51Å; E185-R341 PolarHBondContact OE2-NH1 3.38Å; E185-R341 IonicContact OE2-NH2 3.51Å; E185-R341 PolarHBondContact OE2-NH2 2.81Å; L189-R341 VanDerWaalsContact CD1-CZ 3.44Å; L189-R341 VanDerWaalsContact CD1-NE 3.26Å; K246-R341 PolarHBondContact NZ-O 3.37Å; A337-R341 PolarHBondContact O-N 3.43Å; Y338-R341 PolarHBondContact O-N 2.93Å; F339-R341 PolarHBondContact O-N 2.88Å; F339-R341 VanDerWaalsContact O-N 3.12Å
342Q69.8Low73.1Confident46 Ų4634.5 Ų34.522%0.21517%0.169CC..SBendtrans-64.3154.1-178.3-56.3-57.2-62.500111.1Y338 F339 K344 W446 Y450Y338-Q342 VanDerWaalsContact CZ-NE2 3.25Å; Y338-Q342 WeakPolarHBondContact O-CG 3.32Å; Y338-Q342 PolarHBondContact O-N 3.31Å; Y338-Q342 PolarHBondContact O-NE2 3.06Å; Y338-Q342 VanDerWaalsContact O-NE2 3.16Å; F339-Q342 PolarHBondContact O-N 2.94Å; F339-Q342 VanDerWaalsContact O-N 3.08Å; Q342-K344 PolarHBondContact O-N 2.83Å; Q342-W446 HydrophobicContact CB-CH2 4.3Å; Q342-W446 HydrophobicContact CB-CZ2 4.03Å; Q342-Y450 HydrophobicContact CG-CD1 4.07Å; Q342-Y450 HydrophobicContact CG-CE1 3.57Å; Q342-Y450 PolarHBondContact OE1-OH 2.76Å; Q342-Y450 VanDerWaalsContact OE1-OH 3.08Å
343D62.8Low73.6Confident140 Ų14034.3 Ų34.375%0.74917%0.169SC*.PPolyproline II helixtrans-67.3120.2175.8-65.1-42000110.1H345 W446D343-H345 PolarHBondContact O-N 3.12Å; D343-W446 VanDerWaalsContact O-CZ2 3.31Å; D343-W446 WeakPolarHBondContact O-CZ2 3.4Å
344K71.7Confident74Confident88 Ų8834.4 Ų34.438%0.38317%0.169SC..PPolyproline II helixtrans-59.3117.9-170.4178.1-156.6173.2178.60110.5Q342 L348 R350 E389Q342-K344 PolarHBondContact O-N 2.83Å; K344-L348 WeakPolarHBondContact CE-O 3.27Å; K344-L348 PolarHBondContact NZ-O 2.67Å; K344-R350 HydrophobicContact CD-CB 3.73Å; K344-R350 HydrophobicContact CD-CG 4.04Å; K344-R350 VanDerWaalsContact CE-N 3.31Å; K344-E389 IonicContact NZ-OE2 3.3Å; K344-E389 PolarHBondContact NZ-OE2 3.24Å
345H82.6Confident74.6Confident26 Ų2635.3 Ų35.312%0.1217%0.172CC..PPolyproline II helixtrans-54.4130.1169.8-173.1-78.9000110.4D343 N347 L348 S442 A443 W446D343-H345 PolarHBondContact O-N 3.12Å; H345-N347 WeakPolarHBondContact CE1-CB 3.33Å; H345-N347 PolarHBondContact CE1-OD1 2.96Å; H345-N347 PolarHBondContact ND1-N 3.02Å; H345-N347 PolarHBondContact O-N 3.23Å; H345-L348 HydrophobicContact CB-CD1 4.01Å; H345-L348 HydrophobicContact CB-CG 4.2Å; H345-L348 PolarHBondContact O-N 3.45Å; H345-S442 VanDerWaalsContact CE1-CB 3.45Å; H345-S442 WeakPolarHBondContact CE1-CB 3.48Å; H345-S442 PolarHBondContact CE1-OG 2.64Å; H345-S442 VanDerWaalsContact NE2-C 3.29Å; H345-S442 WeakPolarHBondContact NE2-CB 3.37Å; H345-S442 PolarHBondContact NE2-O 2.99Å; H345-S442 PolarHBondContact NE2-OG 3.11Å; H345-A443 PolarHBondContact CE1-N 3.3Å; H345-W446 HydrophobicContact CB-CB 4.39Å; H345-W446 HydrophobicContact CB-CD2 3.66Å; H345-W446 HydrophobicContact CB-CE3 3.95Å; H345-W446 HydrophobicContact CB-CG 3.86Å; H345-W446 HydrophobicContact CB-CZ3 4.47Å; H345-W446 AromaticContact CD2-CD1 3.83Å; H345-W446 AromaticContact CD2-CG 3.72Å
346P81.9Confident74.9Confident78 Ų7832.6 Ų32.651%0.50616%0.159SC..THydrogen-bonded Turntrans-63.9-12.6-167.724.3-35.6000114.5H469P346-H469 PolarHBondContact O-NE2 2.97Å
347N88Confident74.8Confident10 Ų1033.2 Ų33.25%0.05316%0.163CC..THydrogen-bonded Turntrans-103.313.8178.7-59.3106.8000113.9H345 Q439 A443 H469 V470 T471 L472H345-N347 WeakPolarHBondContact CE1-CB 3.33Å; H345-N347 PolarHBondContact CE1-OD1 2.96Å; H345-N347 PolarHBondContact ND1-N 3.02Å; H345-N347 PolarHBondContact O-N 3.23Å; N347-Q439 PolarHBondContact ND2-OE1 3.08Å; N347-A443 HydrophobicContact CB-CB 4.04Å; N347-H469 PolarHBondContact ND2-CE1 2.88Å; N347-H469 VanDerWaalsContact ND2-CE1 3.29Å; N347-H469 PolarHBondContact ND2-NE2 2.71Å; N347-V470 VanDerWaalsContact CA-O 3.23Å; N347-V470 WeakPolarHBondContact CA-O 3.2Å; N347-V470 VanDerWaalsContact CB-O 3.24Å; N347-V470 WeakPolarHBondContact CB-O 3.02Å; N347-V470 PolarHBondContact ND2-O 3.19Å; N347-T471 CarbonylContact O-C 3.16Å; N347-T471 WeakPolarHBondContact O-CA 3.45Å; N347-L472 PolarHBondContact O-N 2.84Å
348L84.6Confident74.7Confident3 Ų336.2 Ų36.22%0.01617%0.174CC..BIsolated β-bridgetrans-109.4169.9172.3-64.1178.1000112.4K344 H345 A443 W446 L447 L472 Y475K344-L348 WeakPolarHBondContact CE-O 3.27Å; K344-L348 PolarHBondContact NZ-O 2.67Å; H345-L348 HydrophobicContact CB-CD1 4.01Å; H345-L348 HydrophobicContact CB-CG 4.2Å; H345-L348 PolarHBondContact O-N 3.45Å; L348-A443 HydrophobicContact CD2-CB 4.12Å; L348-A443 HydrophobicContact CG-CB 4.46Å; L348-W446 HydrophobicContact CD1-CE3 3.47Å; L348-W446 VanDerWaalsContact CD1-CE3 3.47Å; L348-W446 HydrophobicContact CD1-CH2 4.48Å; L348-W446 HydrophobicContact CD1-CZ3 3.42Å; L348-W446 VanDerWaalsContact CD1-CZ3 3.42Å; L348-L447 HydrophobicContact CD1-CD2 3.81Å; L348-L447 HydrophobicContact CD1-CG 4.2Å; L348-L447 HydrophobicContact CD2-CD1 4.06Å; L348-L447 HydrophobicContact CD2-CD2 4.2Å; L348-L447 HydrophobicContact CD2-CG 4.14Å; L348-L472 HydrophobicContact CD2-CB 4.07Å; L348-Y475 HydrophobicContact CB-CE1 4.28Å; L348-Y475 HydrophobicContact CD2-CD1 3.99Å; L348-Y475 HydrophobicContact CD2-CE1 3.96Å
349C78.9Confident74.3Confident3 Ų339.1 Ų39.12%0.0219%0.192CC..PPolyproline II helixtrans-77.6150.9166.3-62.10000110.8T388 L472 Y475C349-T388 HydrophobicContact CB-CG2 4.39Å; C349-L472 PolarHBondContact N-O 2.83Å; C349-L472 PolarHBondContact SG-O 3.44Å; C349-Y475 PolarHBondContact O-OH 3.18Å; C349-Y475 VanDerWaalsContact O-OH 3.04Å
350R76.4Confident73.1Confident99 Ų9942.9 Ų42.937%0.37421%0.212SC..PPolyproline II helixtrans-85137.3178.9-168.9176.8-171.3-170.4-1.1109.7E243 K344 L352 T388 E389E243-R350 IonicContact OE1-CZ 3.12Å; E243-R350 IonicContact OE1-NH1 2.64Å; E243-R350 IonicContact OE1-NH2 3.83Å; E243-R350 PolarHBondContact OE1-NH2 3.07Å; K344-R350 HydrophobicContact CD-CB 3.73Å; K344-R350 HydrophobicContact CD-CG 4.04Å; K344-R350 VanDerWaalsContact CE-N 3.31Å; R350-L352 HydrophobicContact CG-CD2 4.41Å; R350-T388 CarbonylContact O-C 3.54Å; R350-T388 WeakPolarHBondContact O-CA 3Å; R350-T388 WeakPolarHBondContact O-CB 3.27Å; R350-E389 HydrophobicContact CB-CB 4.36Å; R350-E389 HydrophobicContact CB-CG 3.77Å; R350-E389 WeakPolarHBondContact CB-OE1 3.31Å; R350-E389 WeakPolarHBondContact CB-OE2 3.44Å; R350-E389 VanDerWaalsContact CD-OE1 3.27Å; R350-E389 WeakPolarHBondContact CD-OE1 3.47Å; R350-E389 PolarHBondContact O-N 3.1Å
351I78.7Confident71.8Confident19 Ų1946.4 Ų46.410%0.09723%0.234CC..EExtended strand (participates in β ladder)trans-80.4128.4168-61.7166.8000108.9L242 F339 A340 V354 L386 I387 T388L242-I351 HydrophobicContact CD2-CG2 4.35Å; F339-I351 HydrophobicContact CD1-CD1 3.64Å; F339-I351 HydrophobicContact CE1-CD1 3.68Å; A340-I351 HydrophobicContact CB-CB 4.32Å; A340-I351 HydrophobicContact CB-CD1 3.87Å; A340-I351 HydrophobicContact CB-CG2 3.98Å; I351-V354 HydrophobicContact CG2-CG2 4Å; I351-L386 HydrophobicContact CD1-CD1 3.73Å; I351-L386 HydrophobicContact CG1-CD1 3.95Å; I351-L386 HydrophobicContact CG1-CG 4.44Å; I351-L386 HydrophobicContact CG2-CD1 4.04Å; I351-L386 HydrophobicContact CG2-CG 4.27Å; I351-I387 CarbonylContact C-O 3.6Å; I351-I387 WeakPolarHBondContact CA-O 3.29Å; I351-T388 HydrophobicContact CG1-CG2 4.1Å
352L78.4Confident70.4Confident14 Ų1446.7 Ų46.77%0.07325%0.246CC..EExtended strand (participates in β ladder)trans-103.5-31-176.9-61.1175.7000112.6Y241 L242 I269 I309 R350 I387 E389Y241-L352 HydrophobicContact CE1-CD2 4.3Å; L242-L352 WeakPolarHBondContact CB-O 3.1Å; L242-L352 PolarHBondContact N-O 3.49Å; I269-L352 HydrophobicContact CD1-CB 4.21Å; I309-L352 HydrophobicContact CG2-CD1 3.52Å; R350-L352 HydrophobicContact CG-CD2 4.41Å; L352-I387 HydrophobicContact CB-CB 4.26Å; L352-I387 HydrophobicContact CB-CG2 4.13Å; L352-I387 HydrophobicContact CD1-CG2 4.19Å; L352-I387 PolarHBondContact N-O 2.98Å; L352-E389 HydrophobicContact CD1-CG 4.2Å; L352-E389 HydrophobicContact CD2-CG 4.12Å; L352-E389 HydrophobicContact CG-CG 4.33Å
353G75.9Confident68.8Low0 Ų047.8 Ų47.80%026%0.258CS..EExtended strand (participates in β ladder)trans-166.3157.4178.800000112.1I387G353-I387 PolarHBondContact O-N 3.17Å
354V77.5Confident67.4Low5 Ų545.4 Ų45.43%0.0327%0.267CS..EExtended strand (participates in β ladder)trans-137.1139.7177.2176.60000107.9F193 L242 L336 A340 I351 R385 L386F193-V354 HydrophobicContact CE1-CB 4.42Å; F193-V354 WeakPolarHBondContact CE1-O 3.09Å; L242-V354 HydrophobicContact CD1-CG2 4.49Å; L336-V354 HydrophobicContact CD2-CB 4.4Å; L336-V354 HydrophobicContact CD2-CG1 3.8Å; L336-V354 HydrophobicContact CD2-CG2 3.62Å; A340-V354 HydrophobicContact CB-CG2 4.49Å; I351-V354 HydrophobicContact CG2-CG2 4Å; V354-R385 WeakPolarHBondContact CA-O 3.17Å; V354-L386 HydrophobicContact CG2-CD1 4.19Å
355E76.9Confident65.5Low42 Ų4246.8 Ų46.820%0.19628%0.278CS..EExtended strand (participates in β ladder)trans-139.4143.1175.9171.2-175.2-121.800109.3M239 T357 V384 R385M239-E355 HydrophobicContact CE-CB 3.59Å; M239-E355 HydrophobicContact CG-CB 4.19Å; M239-E355 HydrophobicContact SD-CB 4.06Å; E355-T357 HydrophobicContact CG-CG2 4.12Å; E355-V384 CarbonylContact O-C 3.6Å; E355-V384 WeakPolarHBondContact O-CA 3.45Å; E355-R385 HydrophobicContact CB-CB 4.32Å; E355-R385 PolarHBondContact N-O 3.09Å; E355-R385 PolarHBondContact O-N 3.28Å; E355-R385 VanDerWaalsContact OE2-CD 3.32Å; E355-R385 WeakPolarHBondContact OE2-CD 3.34Å; E355-R385 IonicContact OE2-CZ 3.63Å; E355-R385 IonicContact OE2-NE 3.78Å; E355-R385 IonicContact OE2-NH1 2.71Å; E355-R385 PolarHBondContact OE2-NH1 2.94Å
356C73Confident63Low3 Ų352.7 Ų52.72%0.0231%0.31CS..EExtended strand (participates in β ladder)trans-116.3133162.1-170.20000108.8L333L333-C356 HydrophobicContact CD1-CB 3.76Å; L333-C356 HydrophobicContact CD2-CB 3.81Å; L333-C356 HydrophobicContact CG-CB 4.45Å
357T70Confident60.5Low14 Ų1454 Ų549%0.08631%0.312CS..EExtended strand (participates in β ladder)trans-122112.2174.534.10000108.5E355 L360 V383 R385E355-T357 HydrophobicContact CG-CG2 4.12Å; T357-L360 HydrophobicContact CG2-CD1 3.54Å; T357-V383 PolarHBondContact N-O 3.21Å; T357-V383 PolarHBondContact O-N 3.08Å; T357-V383 PolarHBondContact OG1-O 3.21Å; T357-R385 PolarHBondContact OG1-NH1 3.37Å
358R66.6Low57.6Low66 Ų6661 Ų6125%0.24935%0.349CS..  trans-93.6149.1-178.9-62.1-172.5-171.3-158.5-1.8111.6C194 L329 D330 L360 D382C194-R358 PolarHBondContact SG-NH2 3.35Å; L329-R358 HydrophobicContact CD2-CG 4.49Å; D330-R358 IonicContact OD1-CZ 2.71Å; D330-R358 IonicContact OD1-NH1 3.78Å; D330-R358 IonicContact OD1-NH2 3.83Å; D330-R358 PolarHBondContact OD1-NH2 3.21Å; R358-L360 PolarHBondContact O-N 3.07Å; R358-D382 WeakPolarHBondContact CA-OD1 3.26Å; R358-D382 VanDerWaalsContact CB-OD1 3.28Å; R358-D382 WeakPolarHBondContact CB-OD1 3.5Å
359N58.8Low55Low94 Ų9465.1 Ų65.150%0.50338%0.384SS..SBendtrans43.838.2173.3-75.1-46.9000116.5T318 W381 D382T318-N359 PolarHBondContact OG1-OD1 2.97Å; N359-W381 WeakPolarHBondContact CA-O 3.22Å; N359-W381 PolarHBondContact N-O 3.32Å; N359-W381 VanDerWaalsContact N-O 3.13Å; N359-D382 PolarHBondContact N-OD1 3.32Å; N359-D382 VanDerWaalsContact N-OD1 3.09Å
360L49Very low52.5Low87 Ų8773.7 Ų73.746%0.45542%0.417SS..  trans-99.7124.6-168.2-131155.9000112T357 R358 A362 W381T357-L360 HydrophobicContact CG2-CD1 3.54Å; R358-L360 PolarHBondContact O-N 3.07Å; L360-A362 PolarHBondContact O-N 3.17Å; L360-W381 PolarHBondContact N-O 2.96Å
361P41.3Very low50.4Low87 Ų8776 Ų7657%0.56543%0.432SS*.  trans-64.4128.2168.727-33.4000109.5C363P361-C363 PolarHBondContact O-N 3.47Å
362A35.8Very low48Very low56 Ų5683.7 Ų83.746%0.46347%0.467SS..SBendtrans-7010.3-156.200000117.8L360L360-A362 PolarHBondContact O-N 3.17Å
363C35.5Very low45.9Very low69 Ų6990.5 Ų90.547%0.46650%0.504SS..  trans-147.2115.5173.657.20000113.1P361 I365P361-C363 PolarHBondContact O-N 3.47Å; C363-I365 HydrophobicContact CB-CD1 4.39Å; C363-I365 HydrophobicContact CB-CG1 4.3Å; C363-I365 PolarHBondContact O-N 2.89Å
364G33.5Very low43.9Very low91 Ų9195 Ų9594%0.93853%0.526SS*.  trans-75.753.7166.500000112.3
365I33.5Very low41.7Very low116 Ų116102.5 Ų102.560%0.59556%0.561SS**  trans-118.3127.9176.9-58.1176000107.3C363 I367C363-I365 HydrophobicContact CB-CD1 4.39Å; C363-I365 HydrophobicContact CB-CG1 4.3Å; C363-I365 PolarHBondContact O-N 2.89Å; I365-I367 HydrophobicContact CB-CG1 4.19Å; I365-I367 HydrophobicContact CG2-CD1 4.42Å; I365-I367 HydrophobicContact CG2-CG1 3.81Å; I365-I367 PolarHBondContact O-N 3.25Å
366D28.8Very low39.7Very low150 Ų150110.1 Ų110.180%0.80259%0.593SS**  trans-73.6102.8173.4-151.31.5000108.6
367I29.3Very low38.2Very low106 Ų106113.1 Ų113.154%0.54461%0.614SS.*  trans-103.255.4-177-51.3179.9000110.3I365 A369I365-I367 HydrophobicContact CB-CG1 4.19Å; I365-I367 HydrophobicContact CG2-CD1 4.42Å; I365-I367 HydrophobicContact CG2-CG1 3.81Å; I365-I367 PolarHBondContact O-N 3.25Å; I367-A369 PolarHBondContact O-N 2.82Å
368D27.4Very low37.1Very low156 Ų156116.1 Ų116.183%0.83462%0.624SS**  trans-71.279.3162.1-110.4-4.2000109.7
369A29.3Very low36.1Very low91 Ų91119.9 Ų119.975%0.75264%0.644SS**SBendtrans178.8-29.2149.300000116I367I367-A369 PolarHBondContact O-N 2.82Å
370Y27.3Very low36.1Very low183 Ų183117.7 Ų117.772%0.71863%0.633SS**SBendtrans-143.197.5-163.9-118-96.3000114.8
371H31.2Very low36.7Very low147 Ų147116 Ų11668%0.68162%0.62SS**  trans112.870.2163.6-66.4-73.9000119.4N373H371-N373 PolarHBondContact O-N 3.34Å
372Q29.9Very low38Very low180 Ų180112.8 Ų112.884%0.84160%0.598SS**THydrogen-bonded Turntrans-64.821.6167.5-67.4179.4-24.900116
373N34.2Very low39.8Very low157 Ų157111.1 Ų111.184%0.8458%0.583SS**THydrogen-bonded Turntrans-126.38.4-172.1-89.7-20.2000115.1H371H371-N373 PolarHBondContact O-N 3.34Å
374M34.3Very low41.6Very low95 Ų95107.9 Ų107.947%0.46856%0.56SS.*  trans-125.60.3179.3-79.8-157.8174.200116.4K376 S377M374-K376 PolarHBondContact O-N 3.3Å; M374-S377 PolarHBondContact O-OG 3.05Å; M374-S377 VanDerWaalsContact O-OG 3.11Å
375E29.2Very low43.8Very low162 Ų162105.2 Ų105.276%0.75752%0.522SS*.THydrogen-bonded Turntrans-64.3-14.1-173.3-66.7177.1123.400115.4
376K36.7Very low46Very low202 Ų202100 Ų10088%0.87850%0.496SS*.THydrogen-bonded Turntrans-93.711.2-174.3-70.9-170.3173.9-177.10116.4M374M374-K376 PolarHBondContact O-N 3.3Å
377S41.7Very low48.5Very low66 Ų6692.9 Ų92.946%0.46246%0.457SS..SBendtrans-114.3-0.1-172.556.20000115.7M374M374-S377 PolarHBondContact O-OG 3.05Å; M374-S377 VanDerWaalsContact O-OG 3.11Å
378W45.3Very low50.9Low78 Ų7887.9 Ų87.930%0.29543%0.432SS..  trans-130-1.2-172.5-59.899.1000115.3P227 W381P227-W378 HydrophobicContact CB-CH2 3.86Å; P227-W378 HydrophobicContact CB-CZ3 3.66Å; P227-W378 HydrophobicContact CG-CH2 4.28Å; P227-W378 HydrophobicContact CG-CZ3 4.09Å; W378-W381 AromaticContact CE3-NE1 3.77Å
379E46.1Very low53.5Low145 Ų14583 Ų8368%0.67840%0.404SS*.SBendtrans-58.5139.2154.3-65.1178.4152.200108
380N58.5Low55.9Low48 Ų4884 Ų8426%0.25739%0.388SS..SBendtrans89.441.7179.5-46.2-76.5000118.6H317 T318 N319H317-N380 CarbonylContact C-O 3.59Å; H317-N380 WeakPolarHBondContact CA-O 3.46Å; H317-N380 PolarHBondContact CD2-O 2.85Å; T318-N380 PolarHBondContact N-O 3.45Å; T318-N380 WeakPolarHBondContact OG1-CA 3.36Å; T318-N380 WeakPolarHBondContact OG1-CB 3.45Å; T318-N380 PolarHBondContact OG1-OD1 2.97Å; N319-N380 HydrophobicContact CB-CB 4.35Å; N319-N380 PolarHBondContact ND2-ND2 2.98Å; N319-N380 PolarHBondContact ND2-OD1 2.89Å
381W62.8Low58.1Low51 Ų5176 Ų7619%0.19336%0.359CS..EExtended strand (participates in β ladder)trans-129.4135.9165.2-62.388.5000113.2V286 V315 F316 H317 N359 L360 W378V286-W381 HydrophobicContact CG1-CH2 4.48Å; V315-W381 HydrophobicContact CG1-CD2 4.28Å; V315-W381 HydrophobicContact CG1-CE3 3.51Å; V315-W381 HydrophobicContact CG1-CZ3 3.98Å; F316-W381 VanDerWaalsContact C-CE3 3.47Å; F316-W381 CarbonylContact O-C 3.55Å; F316-W381 WeakPolarHBondContact O-CA 3.49Å; H317-W381 HydrophobicContact CB-CD2 4.36Å; H317-W381 HydrophobicContact CB-CE3 3.89Å; H317-W381 HydrophobicContact CB-CH2 4.02Å; H317-W381 HydrophobicContact CB-CZ2 4.45Å; H317-W381 HydrophobicContact CB-CZ3 3.71Å; H317-W381 AromaticContact CD2-CE2 3.69Å; H317-W381 AromaticContact CD2-CZ2 3.78Å; N359-W381 WeakPolarHBondContact CA-O 3.22Å; N359-W381 PolarHBondContact N-O 3.32Å; N359-W381 VanDerWaalsContact N-O 3.13Å; L360-W381 PolarHBondContact N-O 2.96Å; W378-W381 AromaticContact CE3-NE1 3.77Å
382D67.6Low60.2Low19 Ų1976.5 Ų76.510%0.10236%0.359CS..EExtended strand (participates in β ladder)trans-103.4138.7166.9-66.5-26.4000109.3F316 T318 L329 R358 N359F316-D382 HydrophobicContact CB-CB 4.43Å; F316-D382 PolarHBondContact N-O 3.42Å; F316-D382 PolarHBondContact O-N 2.91Å; T318-D382 HydrophobicContact CG2-CB 4.21Å; T318-D382 VanDerWaalsContact CG2-OD1 3.24Å; T318-D382 WeakPolarHBondContact CG2-OD1 3.47Å; T318-D382 WeakPolarHBondContact CG2-OD2 3.38Å; L329-D382 HydrophobicContact CD2-CB 4.23Å; R358-D382 WeakPolarHBondContact CA-OD1 3.26Å; R358-D382 VanDerWaalsContact CB-OD1 3.28Å; R358-D382 WeakPolarHBondContact CB-OD1 3.5Å; N359-D382 PolarHBondContact N-OD1 3.32Å; N359-D382 VanDerWaalsContact N-OD1 3.09Å
383V72.9Confident62.5Low22 Ų2270 Ų7013%0.13334%0.34CS..EExtended strand (participates in β ladder)trans-128124.2-179.4-177.10000110.1W314 V315 T357 R385W314-V383 CarbonylContact O-C 3.59Å; W314-V383 WeakPolarHBondContact O-CA 3.18Å; V315-V383 HydrophobicContact CG1-CG2 4.35Å; V315-V383 HydrophobicContact CG2-CG1 4.27Å; V315-V383 HydrophobicContact CG2-CG2 4.19Å; T357-V383 PolarHBondContact N-O 3.21Å; T357-V383 PolarHBondContact O-N 3.08Å; T357-V383 PolarHBondContact OG1-O 3.21Å; V383-R385 HydrophobicContact CG1-CG 4.39Å
384V74.9Confident64.6Low0 Ų065.7 Ų65.70%032%0.32CS..EExtended strand (participates in β ladder)trans-105.6128.8173.6-177.20000109.1W314 F316 L329 F332 L333 E355W314-V384 HydrophobicContact CB-CB 4.47Å; W314-V384 HydrophobicContact CE3-CB 4.21Å; W314-V384 HydrophobicContact CE3-CG1 4.06Å; W314-V384 HydrophobicContact CZ3-CG1 4.45Å; W314-V384 PolarHBondContact N-O 2.83Å; W314-V384 PolarHBondContact O-N 3.19Å; F316-V384 HydrophobicContact CD2-CG2 4.45Å; F316-V384 HydrophobicContact CE2-CB 4.36Å; F316-V384 HydrophobicContact CE2-CG2 3.89Å; L329-V384 HydrophobicContact CD1-CG2 4.39Å; F332-V384 HydrophobicContact CE1-CB 4.43Å; F332-V384 HydrophobicContact CE1-CG1 4.17Å; F332-V384 HydrophobicContact CE1-CG2 4.31Å; L333-V384 HydrophobicContact CD2-CG1 3.96Å; L333-V384 HydrophobicContact CD2-CG2 4.12Å; E355-V384 CarbonylContact O-C 3.6Å; E355-V384 WeakPolarHBondContact O-CA 3.45Å
385R79.2Confident66.8Low36 Ų3662.1 Ų62.114%0.13630%0.304CS..EExtended strand (participates in β ladder)trans-112.8138.3177.5-50.6-161172.170.616.8111M239 L311 H312 E313 V354 E355 T357 V383M239-R385 HydrophobicContact CE-CB 4.21Å; M239-R385 HydrophobicContact SD-CB 4.09Å; L311-R385 HydrophobicContact CD1-CB 4.16Å; H312-R385 CarbonylContact O-C 3.57Å; H312-R385 WeakPolarHBondContact O-CA 3.31Å; E313-R385 HydrophobicContact CG-CG 4.14Å; E313-R385 IonicContact OE1-CZ 2.81Å; E313-R385 IonicContact OE1-NE 2.57Å; E313-R385 PolarHBondContact OE1-NE 2.69Å; E313-R385 IonicContact OE1-NH2 2.76Å; V354-R385 WeakPolarHBondContact CA-O 3.17Å; E355-R385 HydrophobicContact CB-CB 4.32Å; E355-R385 PolarHBondContact N-O 3.09Å; E355-R385 PolarHBondContact O-N 3.28Å; E355-R385 VanDerWaalsContact OE2-CD 3.32Å; E355-R385 WeakPolarHBondContact OE2-CD 3.34Å; E355-R385 IonicContact OE2-CZ 3.63Å; E355-R385 IonicContact OE2-NE 3.78Å; E355-R385 IonicContact OE2-NH1 2.71Å; E355-R385 PolarHBondContact OE2-NH1 2.94Å; T357-R385 PolarHBondContact OG1-NH1 3.37Å; V383-R385 HydrophobicContact CG1-CG 4.39Å
386L80.4Confident69.3Low7 Ų754.7 Ų54.74%0.03727%0.27CS..EExtended strand (participates in β ladder)trans-132.5133.2170.2168.4137.1000109.4L311 H312 W314 L336 I351 V354 T388L311-L386 CarbonylContact C-O 3.59Å; H312-L386 HydrophobicContact CB-CB 4.35Å; H312-L386 HydrophobicContact CB-CD2 4.03Å; H312-L386 PolarHBondContact CD2-O 3.13Å; H312-L386 PolarHBondContact N-O 3.3Å; H312-L386 PolarHBondContact O-N 2.71Å; W314-L386 HydrophobicContact CH2-CB 3.92Å; W314-L386 HydrophobicContact CH2-CD1 4.44Å; W314-L386 HydrophobicContact CH2-CD2 4.27Å; W314-L386 HydrophobicContact CH2-CG 4.45Å; W314-L386 HydrophobicContact CZ3-CB 3.57Å; L336-L386 HydrophobicContact CD2-CD1 3.66Å; L336-L386 HydrophobicContact CG-CD1 4.44Å; I351-L386 HydrophobicContact CD1-CD1 3.73Å; I351-L386 HydrophobicContact CG1-CD1 3.95Å; I351-L386 HydrophobicContact CG1-CG 4.44Å; I351-L386 HydrophobicContact CG2-CD1 4.04Å; I351-L386 HydrophobicContact CG2-CG 4.27Å; V354-L386 HydrophobicContact CG2-CD1 4.19Å; L386-T388 HydrophobicContact CD2-CG2 3.7Å
387I79.7Confident71.3Confident0 Ų048.4 Ų48.40%024%0.243CC..EExtended strand (participates in β ladder)trans-106.4132.6177.3-49.3156.1000108.6M239 I269 I271 I309 L311 I351 L352 G353M239-I387 HydrophobicContact CB-CD1 4.1Å; M239-I387 HydrophobicContact CE-CD1 3.56Å; M239-I387 HydrophobicContact CE-CG1 3.83Å; M239-I387 HydrophobicContact SD-CD1 3.72Å; M239-I387 HydrophobicContact SD-CG1 4Å; I269-I387 HydrophobicContact CD1-CD1 3.9Å; I271-I387 HydrophobicContact CD1-CD1 3.35Å; I271-I387 HydrophobicContact CD1-CG1 3.97Å; I271-I387 HydrophobicContact CG1-CD1 4.42Å; I309-I387 HydrophobicContact CB-CG2 3.94Å; I309-I387 HydrophobicContact CD1-CG2 3.8Å; I309-I387 HydrophobicContact CG1-CG2 4.36Å; I309-I387 HydrophobicContact CG2-CG2 4.33Å; L311-I387 HydrophobicContact CD1-CG1 3.89Å; I351-I387 CarbonylContact C-O 3.6Å; I351-I387 WeakPolarHBondContact CA-O 3.29Å; L352-I387 HydrophobicContact CB-CB 4.26Å; L352-I387 HydrophobicContact CB-CG2 4.13Å; L352-I387 HydrophobicContact CD1-CG2 4.19Å; L352-I387 PolarHBondContact N-O 2.98Å; G353-I387 PolarHBondContact O-N 3.17Å
388T80Confident72.6Confident1 Ų148.7 Ų48.71%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-118.8155.4167.156.70000113.3I309 Q310 H312 C349 R350 I351 L386I309-T388 CarbonylContact C-O 3.58Å; I309-T388 WeakPolarHBondContact CA-O 3.43Å; I309-T388 WeakPolarHBondContact CB-O 3.35Å; Q310-T388 PolarHBondContact N-O 3.2Å; Q310-T388 PolarHBondContact O-N 3.24Å; Q310-T388 PolarHBondContact O-OG1 3.2Å; H312-T388 PolarHBondContact NE2-OG1 3.28Å; C349-T388 HydrophobicContact CB-CG2 4.39Å; R350-T388 CarbonylContact O-C 3.54Å; R350-T388 WeakPolarHBondContact O-CA 3Å; R350-T388 WeakPolarHBondContact O-CB 3.27Å; I351-T388 HydrophobicContact CG1-CG2 4.1Å; L386-T388 HydrophobicContact CD2-CG2 3.7Å
389E82.7Confident73.5Confident53 Ų5346.6 Ų46.625%0.24824%0.241CC..EExtended strand (participates in β ladder)trans-52.9143.8158.3-73.6169.1175.900110.4K344 R350 L352K344-E389 IonicContact NZ-OE2 3.3Å; K344-E389 PolarHBondContact NZ-OE2 3.24Å; R350-E389 HydrophobicContact CB-CB 4.36Å; R350-E389 HydrophobicContact CB-CG 3.77Å; R350-E389 WeakPolarHBondContact CB-OE1 3.31Å; R350-E389 WeakPolarHBondContact CB-OE2 3.44Å; R350-E389 VanDerWaalsContact CD-OE1 3.27Å; R350-E389 WeakPolarHBondContact CD-OE1 3.47Å; R350-E389 PolarHBondContact O-N 3.1Å; L352-E389 HydrophobicContact CD1-CG 4.2Å; L352-E389 HydrophobicContact CD2-CG 4.12Å; L352-E389 HydrophobicContact CG-CG 4.33Å
390R78.5Confident73.7Confident111 Ų11141.4 Ų41.442%0.41923%0.227SC..PPolyproline II helixtrans-67.4134.7168.7-168.2177.2-168120.115109.9D299 S308D299-R390 IonicContact OD1-CZ 3.44Å; D299-R390 IonicContact OD1-NH1 3.57Å; D299-R390 IonicContact OD1-NH2 3.79Å; D299-R390 IonicContact OD2-CZ 2.75Å; D299-R390 IonicContact OD2-NH1 3.33Å; D299-R390 PolarHBondContact OD2-NH1 3.27Å; D299-R390 IonicContact OD2-NH2 3.81Å; D299-R390 PolarHBondContact OD2-NH2 2.92Å; S308-R390 VanDerWaalsContact O-CB 3.28Å; S308-R390 WeakPolarHBondContact O-CB 3.46Å; S308-R390 PolarHBondContact O-N 3.29Å; S308-R390 WeakPolarHBondContact OG-CD 3.2Å; S308-R390 PolarHBondContact OG-NH1 3.48Å
391P73.4Confident73Confident17 Ų1742.8 Ų42.811%0.1124%0.24CC..PPolyproline II helixtrans-59.7140.5-179.322.5-33.8000112.2F463 T471 C473P391-F463 HydrophobicContact CB-CB 4.16Å; P391-F463 HydrophobicContact CB-CD1 4.2Å; P391-F463 HydrophobicContact CB-CD2 3.7Å; P391-F463 HydrophobicContact CB-CE2 4.17Å; P391-F463 HydrophobicContact CB-CG 3.74Å; P391-F463 HydrophobicContact CG-CD1 4.22Å; P391-F463 HydrophobicContact CG-CD2 3.69Å; P391-F463 HydrophobicContact CG-CE1 4.14Å; P391-F463 HydrophobicContact CG-CE2 3.62Å; P391-F463 HydrophobicContact CG-CG 4.03Å; P391-F463 HydrophobicContact CG-CZ 3.85Å; P391-T471 HydrophobicContact CB-CG2 3.99Å; P391-C473 HydrophobicContact CB-CB 4.29Å; P391-C473 HydrophobicContact CG-CB 3.98Å
392K75.6Confident72Confident156 Ų15642.1 Ų42.168%0.67825%0.249SC*.PPolyproline II helixtrans-91.8138.6179.5-63.8-179.5-177.51770110.4
393G78.3Confident71Confident43 Ų4342.8 Ų42.844%0.44325%0.254SS..SBendtrans111.1-161177.900000113.3
394T78.3Confident69.6Low67 Ų6743 Ų4341%0.41125%0.254SS..EExtended strand (participates in β ladder)trans-110.5139.1179-10.40000109.3L396 F463 V464T394-L396 PolarHBondContact O-N 2.65Å; T394-F463 CarbonylContact O-C 3.59Å; T394-F463 WeakPolarHBondContact O-CA 3.43Å; T394-V464 PolarHBondContact N-O 3.32Å; T394-V464 PolarHBondContact O-N 2.92Å; T394-V464 PolarHBondContact OG1-O 3.4Å
395S82.1Confident68Low21 Ų2144.1 Ų44.115%0.14726%0.262CS..EExtended strand (participates in β ladder)trans-60.5135.9175.9174.70000110.8E397 S398 V399 P459 S460 I462S395-E397 PolarHBondContact O-N 2.72Å; S395-S398 PolarHBondContact N-OG 3.22Å; S395-S398 WeakPolarHBondContact O-CA 3.47Å; S395-S398 WeakPolarHBondContact O-CB 3.5Å; S395-S398 PolarHBondContact O-N 3.4Å; S395-S398 PolarHBondContact O-OG 3.44Å; S395-V399 PolarHBondContact O-N 3.09Å; S395-P459 PolarHBondContact OG-O 3.46Å; S395-P459 VanDerWaalsContact OG-O 3.05Å; S395-S460 VanDerWaalsContact OG-CA 3.26Å; S395-S460 WeakPolarHBondContact OG-CA 3.42Å; S395-S460 PolarHBondContact OG-O 3.3Å; S395-I462 CarbonylContact C-O 3.6Å
396L81.7Confident66.1Low6 Ų646 Ų463%0.03128%0.279CS..G310 helixtrans-60.9-28.7-179.5-172.871.9000112.1T394 S398 V399 P459 I462 V464 V523 I527T394-L396 PolarHBondContact O-N 2.65Å; L396-S398 VanDerWaalsContact C-N 3.28Å; L396-S398 PolarHBondContact O-N 3.29Å; L396-V399 WeakPolarHBondContact O-CB 3.37Å; L396-V399 PolarHBondContact O-N 3.22Å; L396-P459 HydrophobicContact CB-CB 4.13Å; L396-P459 WeakPolarHBondContact CB-O 3.38Å; L396-P459 HydrophobicContact CD2-CB 4.22Å; L396-P459 HydrophobicContact CG-CB 4.29Å; L396-P459 PolarHBondContact N-O 3.14Å; L396-I462 HydrophobicContact CB-CB 4.13Å; L396-I462 HydrophobicContact CB-CG2 4.38Å; L396-I462 WeakPolarHBondContact CB-O 3.44Å; L396-I462 HydrophobicContact CD2-CB 4.27Å; L396-I462 HydrophobicContact CD2-CD1 4.18Å; L396-I462 HydrophobicContact CD2-CG2 4.2Å; L396-I462 PolarHBondContact N-O 3.39Å; L396-V464 HydrophobicContact CD1-CG2 4.01Å; L396-V523 HydrophobicContact CD2-CG1 3.76Å; L396-I527 HydrophobicContact CD1-CD1 4.5Å; L396-I527 HydrophobicContact CD1-CG1 4.23Å; L396-I527 HydrophobicContact CD2-CD1 3.89Å; L396-I527 HydrophobicContact CD2-CG1 3.87Å; L396-I527 HydrophobicContact CG-CG1 4.32Å
397E78.6Confident64.1Low69 Ų6950.5 Ų50.532%0.32231%0.307SS..G310 helixtrans-63-33.9170.5-175.9171.1-165.200112.5S395 V399 H458 P459 S460 K531S395-E397 PolarHBondContact O-N 2.72Å; E397-V399 VanDerWaalsContact C-N 3.32Å; E397-H458 IonicContact OE2-CE1 3.53Å; E397-P459 HydrophobicContact CB-CB 4.03Å; E397-P459 PolarHBondContact N-O 3.37Å; E397-P459 VanDerWaalsContact N-O 3.1Å; E397-S460 WeakPolarHBondContact OE2-CB 3.32Å; E397-K531 IonicContact OE1-NZ 3.02Å
398S68Low61.8Low72 Ų7253.3 Ų53.350%0.50333%0.33SS..G310 helixtrans-80.7-9.8176.165.10000113.9S395 L396 G400S395-S398 PolarHBondContact N-OG 3.22Å; S395-S398 WeakPolarHBondContact O-CA 3.47Å; S395-S398 WeakPolarHBondContact O-CB 3.5Å; S395-S398 PolarHBondContact O-N 3.4Å; S395-S398 PolarHBondContact O-OG 3.44Å; L396-S398 VanDerWaalsContact C-N 3.28Å; L396-S398 PolarHBondContact O-N 3.29Å; S398-G400 PolarHBondContact O-N 3.36Å
399V64.1Low59.4Low34 Ų3459.9 Ų59.921%0.20637%0.365CS..SBendtrans-81.457.6168.5-172.40000108.9S395 L396 E397 S401 V403 L607S395-V399 PolarHBondContact O-N 3.09Å; L396-V399 WeakPolarHBondContact O-CB 3.37Å; L396-V399 PolarHBondContact O-N 3.22Å; E397-V399 VanDerWaalsContact C-N 3.32Å; V399-S401 PolarHBondContact O-N 2.91Å; V399-V403 HydrophobicContact CG1-CG2 4.39Å; V399-L607 HydrophobicContact CG1-CD2 4.31Å
400G50.5Low56.8Low37 Ų3764.7 Ų64.738%0.38139%0.387SS..  trans-63.6125.7-161.400000115.4S398 G402S398-G400 PolarHBondContact O-N 3.36Å; G400-G402 PolarHBondContact O-N 3.22Å
401S44.1Very low54.5Low76 Ų7669.2 Ų69.253%0.53141%0.413SS..SBendtrans48.1-9.8141.459.70000123V399V399-S401 PolarHBondContact O-N 2.91Å
402G40.8Very low52.3Low38 Ų3874.2 Ų74.239%0.39244%0.438SS..SBendtrans-125.9-8.8-173.100000115.4G400G400-G402 PolarHBondContact O-N 3.22Å
403V47Very low50Low33 Ų3369.6 Ų69.620%0.244%0.435CS..SBendtrans-74.1-34.5-177.7-1760000111.6V399 K429 L607V399-V403 HydrophobicContact CG1-CG2 4.39Å; V403-K429 WeakPolarHBondContact O-CE 3.35Å; V403-K429 PolarHBondContact O-NZ 2.75Å; V403-L607 HydrophobicContact CG2-CD1 4.42Å; V403-L607 HydrophobicContact CG2-CG 4.31Å
404L43.9Very low47.8Very low26 Ų2673.9 Ų73.914%0.13646%0.455CS..SBendtrans-118.8-28.9-171.2-65.5173.6000114.7K429 W432 L433 I527L404-K429 HydrophobicContact CD2-CB 3.71Å; L404-K429 HydrophobicContact CD2-CD 3.61Å; L404-K429 HydrophobicContact CD2-CG 3.49Å; L404-K429 VanDerWaalsContact CD2-CG 3.49Å; L404-K429 PolarHBondContact O-NZ 2.94Å; L404-K429 VanDerWaalsContact O-NZ 3.14Å; L404-W432 HydrophobicContact CD1-CE3 4.02Å; L404-W432 HydrophobicContact CD1-CZ3 3.69Å; L404-L433 HydrophobicContact CD1-CD1 4.07Å; L404-I527 HydrophobicContact CD1-CG2 3.29Å
405S41.1Very low45.4Very low23 Ų2377.6 Ų77.616%0.16147%0.472CS..  trans-54.5127176.4174.50000112.3V407 L528S405-V407 PolarHBondContact O-N 3.35Å; S405-V407 PolarHBondContact OG-N 3.05Å; S405-V407 VanDerWaalsContact OG-N 3.15Å; S405-L528 WeakPolarHBondContact CA-O 3.46Å
406P40.5Very low42.9Very low75 Ų7582.1 Ų82.149%0.48749%0.494SS..SBendtrans-793.3171.930-30.8000113.6L423P406-L423 HydrophobicContact CG-CD1 3.58Å; P406-L423 HydrophobicContact CG-CG 4.29Å
407V38Very low40.8Very low103 Ų10387.7 Ų87.762%0.62452%0.518SS*.SBendtrans-118.1-10.1-166.7-168.20000113.5S405 N409S405-V407 PolarHBondContact O-N 3.35Å; S405-V407 PolarHBondContact OG-N 3.05Å; S405-V407 VanDerWaalsContact OG-N 3.15Å; V407-N409 VanDerWaalsContact C-N 3.3Å; V407-N409 PolarHBondContact O-N 2.97Å
408A31.5Very low38.8Very low59 Ų5987.8 Ų87.849%0.48853%0.527SS..THydrogen-bonded Turntrans-76.47.2-16300000117.7
409N29.4Very low37.5Very low138 Ų13888.7 Ų88.774%0.73853%0.529SS*.THydrogen-bonded Turntrans-111.617.2-171-94.80.5000116V407V407-N409 VanDerWaalsContact C-N 3.3Å; V407-N409 PolarHBondContact O-N 2.97Å
410E28.3Very low36.3Very low155 Ų15592.7 Ų92.772%0.72456%0.559SS**SBendtrans-124131.9164.7-71.9-169.5156.700111.9L412E410-L412 HydrophobicContact CB-CD1 4.16Å; E410-L412 HydrophobicContact CB-CG 4.33Å; E410-L412 PolarHBondContact O-N 2.81Å; E410-L412 WeakPolarHBondContact OE2-CD1 3.38Å
411Q29.1Very low36.1Very low206 Ų20699 Ų9996%0.96358%0.576SS**  trans-72.485.3170.9-73.3-176.5-29.800110.2
412L27.3Very low36.5Very low121 Ų12198.7 Ų98.763%0.63457%0.572SS**  trans-125.4141.9176.6-72.8171.3000112.2E410E410-L412 HydrophobicContact CB-CD1 4.16Å; E410-L412 HydrophobicContact CB-CG 4.33Å; E410-L412 PolarHBondContact O-N 2.81Å; E410-L412 WeakPolarHBondContact OE2-CD1 3.38Å
413G28.1Very low37.4Very low59 Ų5997.9 Ų97.961%0.60856%0.558SS**  trans-79.3-163.8-170.700000115.3N415G413-N415 PolarHBondContact O-N 2.82Å
414P30.8Very low38.1Very low133 Ų133103.3 Ų103.386%0.86458%0.581SS**SBendtrans-69.910.7-158-21.433.9000118.4
415N28.4Very low39.3Very low145 Ų145103 Ų10378%0.77558%0.58SS**  trans-131.283.2-164.6-69.1-18.6000112.4G413G413-N415 PolarHBondContact O-N 2.82Å
416L30.8Very low40.8Very low117 Ų117106 Ų10661%0.61359%0.594SS**  trans-159.852.7166.8-116.6151.5000115.5S418L416-S418 WeakPolarHBondContact CD2-OG 3.46Å; L416-S418 PolarHBondContact O-N 2.86Å
417F36.4Very low42.3Very low122 Ų122107.8 Ų107.854%0.53560%0.6SS.*  trans-70.867.7157.8-77.9-77.1000110.4
418S37.1Very low43.8Very low72 Ų72110.4 Ų110.450%0.50360%0.602SS.*  trans-160.272.9170.167.50000111.3L416 S420L416-S418 WeakPolarHBondContact CD2-OG 3.46Å; L416-S418 PolarHBondContact O-N 2.86Å; S418-S420 VanDerWaalsContact C-N 3.34Å; S418-S420 PolarHBondContact O-N 3.02Å
419V40.6Very low45.8Very low90 Ų90110.5 Ų110.555%0.54559%0.592SS.*  trans-73.385.9177.3178.90000110K421V419-K421 VanDerWaalsContact C-N 3.28Å; V419-K421 VanDerWaalsContact CG1-O 3.22Å; V419-K421 WeakPolarHBondContact CG1-O 3.3Å; V419-K421 PolarHBondContact O-N 3.42Å
420S39.8Very low48.3Very low119 Ų119104.5 Ų104.583%0.83256%0.56SS**  trans-87.615-178.1660000114.5S418S418-S420 VanDerWaalsContact C-N 3.34Å; S418-S420 PolarHBondContact O-N 3.02Å
421K44.3Very low50.7Low169 Ų169100 Ų10074%0.73554%0.54SS*.SBendtrans-124.4137.1166.9-76.6-176.1175.9179.30108.3V419V419-K421 VanDerWaalsContact C-N 3.28Å; V419-K421 VanDerWaalsContact CG1-O 3.22Å; V419-K421 WeakPolarHBondContact CG1-O 3.3Å; V419-K421 PolarHBondContact O-N 3.42Å
422P53.4Low53.2Low69 Ų6992.4 Ų92.445%0.44850%0.502SS..  trans-59147.6177.926.3-34.3000111.1E424 T554P422-E424 VanDerWaalsContact C-N 3.33Å; P422-E424 PolarHBondContact O-N 3.06Å; P422-T554 HydrophobicContact CB-CG2 3.84Å; P422-T554 HydrophobicContact CG-CG2 4.5Å
423L60.3Low56Low21 Ų2186.8 Ų86.811%0.1147%0.473CS..  trans-76.186.6-178.8-162.282.7000109.3P406 I425 V547 L551 T554P406-L423 HydrophobicContact CG-CD1 3.58Å; P406-L423 HydrophobicContact CG-CG 4.29Å; L423-I425 PolarHBondContact O-N 3.16Å; L423-V547 HydrophobicContact CD2-CG1 4.44Å; L423-L551 HydrophobicContact CD2-CD2 4.12Å; L423-L551 HydrophobicContact CD2-CG 4.35Å; L423-T554 PolarHBondContact O-OG1 2.77Å
424E61.1Low58.8Low147 Ų14785.5 Ų85.569%0.68745%0.449SS*.  trans-78.1103.4178-74.4-179.1168.800110.9P422 T554P422-E424 VanDerWaalsContact C-N 3.33Å; P422-E424 PolarHBondContact O-N 3.06Å; E424-T554 HydrophobicContact CG-CG2 4.12Å
425I70.1Confident61.3Low20 Ų2079.8 Ų79.810%0.10341%0.411CS..  trans-92.6115168.6-55173.2000107.3L423 K429 L430 L528 L551 F558L423-I425 PolarHBondContact O-N 3.16Å; I425-K429 HydrophobicContact CG2-CB 3.78Å; I425-L430 HydrophobicContact CD1-CD1 4.43Å; I425-L430 HydrophobicContact CG2-CB 3.97Å; I425-L430 HydrophobicContact CG2-CD1 4.27Å; I425-L528 HydrophobicContact CD1-CD2 3.58Å; I425-L551 HydrophobicContact CD1-CD2 3.73Å; I425-L551 HydrophobicContact CG1-CD2 4.44Å; I425-F558 HydrophobicContact CD1-CD1 4.27Å; I425-F558 HydrophobicContact CD1-CE1 3.96Å
426D70.9Confident64.1Low85 Ų8572.9 Ų72.946%0.45537%0.374SS..  trans-49.7134.4169.6167.110.7000110.7K428 K429 L430D426-K428 PolarHBondContact O-N 2.72Å; D426-K428 VanDerWaalsContact O-N 3.08Å; D426-K428 PolarHBondContact OD1-N 3.13Å; D426-K429 HydrophobicContact CB-CB 4.35Å; D426-K429 HydrophobicContact CB-CD 4.3Å; D426-K429 HydrophobicContact CB-CG 4.17Å; D426-K429 CarbonylContact O-C 3.55Å; D426-K429 WeakPolarHBondContact O-CA 3.37Å; D426-K429 VanDerWaalsContact O-CB 3.28Å; D426-K429 WeakPolarHBondContact O-CB 3.48Å; D426-K429 PolarHBondContact O-N 2.81Å; D426-L430 PolarHBondContact O-N 3.21Å
427D73Confident66.9Low114 Ų11467.3 Ų67.361%0.6135%0.345SS*.Hα-helixtrans-51.6-34.2179-68.1-35.3000112.7L430 M431D427-L430 PolarHBondContact O-N 2.97Å; D427-M431 VanDerWaalsContact O-CB 3.22Å; D427-M431 WeakPolarHBondContact O-CB 3.34Å; D427-M431 PolarHBondContact O-N 2.84Å
428K69.4Low69.5Low157 Ų15764.6 Ų64.668%0.68333%0.334SS*.Hα-helixtrans-64.7-41.6174.5-65.3176-178.11710112.1D426 W432D426-K428 PolarHBondContact O-N 2.72Å; D426-K428 VanDerWaalsContact O-N 3.08Å; D426-K428 PolarHBondContact OD1-N 3.13Å; K428-W432 PolarHBondContact O-N 2.86Å; K428-W432 VanDerWaalsContact O-N 3.09Å
429K73.4Confident72Confident61 Ų6161.6 Ų61.627%0.26531%0.311SS..Hα-helixtrans-65.5-45.1175-71.8-175.4165.3-1740110.4V403 L404 I425 D426 M431 W432 L433V403-K429 WeakPolarHBondContact O-CE 3.35Å; V403-K429 PolarHBondContact O-NZ 2.75Å; L404-K429 HydrophobicContact CD2-CB 3.71Å; L404-K429 HydrophobicContact CD2-CD 3.61Å; L404-K429 HydrophobicContact CD2-CG 3.49Å; L404-K429 VanDerWaalsContact CD2-CG 3.49Å; L404-K429 PolarHBondContact O-NZ 2.94Å; L404-K429 VanDerWaalsContact O-NZ 3.14Å; I425-K429 HydrophobicContact CG2-CB 3.78Å; D426-K429 HydrophobicContact CB-CB 4.35Å; D426-K429 HydrophobicContact CB-CD 4.3Å; D426-K429 HydrophobicContact CB-CG 4.17Å; D426-K429 CarbonylContact O-C 3.55Å; D426-K429 WeakPolarHBondContact O-CA 3.37Å; D426-K429 VanDerWaalsContact O-CB 3.28Å; D426-K429 WeakPolarHBondContact O-CB 3.48Å; D426-K429 PolarHBondContact O-N 2.81Å; K429-M431 PolarHBondContact O-N 2.9Å; K429-W432 PolarHBondContact O-N 2.87Å; K429-L433 WeakPolarHBondContact O-CB 3.4Å; K429-L433 PolarHBondContact O-N 3.03Å
430L81.9Confident74.4Confident13 Ų1357.3 Ų57.37%0.06829%0.285CS..Hα-helixtrans-65.3-37.7178.9-166.972.3000112.4I425 D426 D427 L433 R434 Q555 F558 F586I425-L430 HydrophobicContact CD1-CD1 4.43Å; I425-L430 HydrophobicContact CG2-CB 3.97Å; I425-L430 HydrophobicContact CG2-CD1 4.27Å; D426-L430 PolarHBondContact O-N 3.21Å; D427-L430 PolarHBondContact O-N 2.97Å; L430-L433 WeakPolarHBondContact O-CB 3.27Å; L430-L433 PolarHBondContact O-N 2.92Å; L430-R434 WeakPolarHBondContact O-CB 3.37Å; L430-R434 PolarHBondContact O-N 2.75Å; L430-Q555 VanDerWaalsContact CD2-CD 3.45Å; L430-Q555 HydrophobicContact CD2-CG 4.15Å; L430-Q555 VanDerWaalsContact CD2-OE1 3.3Å; L430-F558 HydrophobicContact CD1-CB 4.17Å; L430-F558 HydrophobicContact CD1-CD1 3.69Å; L430-F558 HydrophobicContact CD1-CD2 4.42Å; L430-F558 HydrophobicContact CD1-CE1 4.21Å; L430-F558 HydrophobicContact CD1-CG 3.82Å; L430-F586 HydrophobicContact CD1-CE2 4.17Å; L430-F586 HydrophobicContact CD1-CZ 4.45Å; L430-F586 HydrophobicContact CG-CE2 4.28Å
431M78.4Confident76.7Confident60 Ų6051.7 Ų51.730%0.29625%0.246SC..Hα-helixtrans-69.6-39.6177.3-172.6173.661.200112.2D427 K429 L433 R434 Y435 P592 F595D427-M431 VanDerWaalsContact O-CB 3.22Å; D427-M431 WeakPolarHBondContact O-CB 3.34Å; D427-M431 PolarHBondContact O-N 2.84Å; K429-M431 PolarHBondContact O-N 2.9Å; M431-L433 VanDerWaalsContact C-N 3.34Å; M431-R434 PolarHBondContact O-N 2.91Å; M431-Y435 WeakPolarHBondContact O-CB 3.11Å; M431-Y435 PolarHBondContact O-N 3.28Å; M431-P592 HydrophobicContact SD-CG 4.11Å; M431-F595 HydrophobicContact CE-CD2 3.71Å; M431-F595 HydrophobicContact CE-CE2 3.62Å; M431-F595 HydrophobicContact CE-CZ 4.38Å; M431-F595 HydrophobicContact SD-CD2 4.31Å
432W82.5Confident78.8Confident47 Ų4744.8 Ų44.818%0.17822%0.219CC..Hα-helixtrans-61.9-43.3169.6179.991.1000111.3L404 K428 K429 R434 Y435 V436 I527L404-W432 HydrophobicContact CD1-CE3 4.02Å; L404-W432 HydrophobicContact CD1-CZ3 3.69Å; K428-W432 PolarHBondContact O-N 2.86Å; K428-W432 VanDerWaalsContact O-N 3.09Å; K429-W432 PolarHBondContact O-N 2.87Å; W432-R434 PolarHBondContact O-N 2.84Å; W432-Y435 PolarHBondContact O-N 2.91Å; W432-V436 HydrophobicContact CD2-CG2 4Å; W432-V436 HydrophobicContact CE3-CG2 4.22Å; W432-V436 HydrophobicContact CH2-CG2 3.93Å; W432-V436 HydrophobicContact CZ2-CG2 3.69Å; W432-V436 HydrophobicContact CZ3-CG2 4.17Å; W432-V436 PolarHBondContact O-N 2.88Å; W432-I527 HydrophobicContact CZ3-CG2 3.95Å
433L85Confident80.5Confident3 Ų341.5 Ų41.52%0.01620%0.198CC..Hα-helixtrans-59.4-47.9177.2-154.4100.1000111.2L404 K429 L430 M431 Y435 V436 I437 I524 I527 L528 F558L404-L433 HydrophobicContact CD1-CD1 4.07Å; K429-L433 WeakPolarHBondContact O-CB 3.4Å; K429-L433 PolarHBondContact O-N 3.03Å; L430-L433 WeakPolarHBondContact O-CB 3.27Å; L430-L433 PolarHBondContact O-N 2.92Å; M431-L433 VanDerWaalsContact C-N 3.34Å; L433-Y435 VanDerWaalsContact C-N 3.32Å; L433-Y435 PolarHBondContact O-N 3.4Å; L433-V436 PolarHBondContact O-N 3.44Å; L433-I437 HydrophobicContact CD2-CD1 3.66Å; L433-I437 HydrophobicContact CG-CD1 3.83Å; L433-I437 WeakPolarHBondContact O-CB 3.49Å; L433-I437 WeakPolarHBondContact O-CD1 3.47Å; L433-I437 WeakPolarHBondContact O-CG1 3.29Å; L433-I437 PolarHBondContact O-N 3.01Å; L433-I524 HydrophobicContact CD2-CG2 4.29Å; L433-I527 HydrophobicContact CD1-CB 4.25Å; L433-I527 HydrophobicContact CD1-CG2 3.36Å; L433-L528 HydrophobicContact CD1-CD2 4.17Å; L433-L528 HydrophobicContact CD2-CD2 4.32Å; L433-F558 HydrophobicContact CD2-CD2 4.45Å; L433-F558 HydrophobicContact CD2-CE1 3.98Å; L433-F558 HydrophobicContact CD2-CE2 3.5Å; L433-F558 HydrophobicContact CD2-CZ 3.22Å
434R87.1Confident81.7Confident31 Ų3140.7 Ų40.712%0.11719%0.194CC..Hα-helixtrans-57.2-43.3175.1-170.3-177.7-71.8-127.8-3.8111.4L430 M431 W432 H438 F586 D589 I591L430-R434 WeakPolarHBondContact O-CB 3.37Å; L430-R434 PolarHBondContact O-N 2.75Å; M431-R434 PolarHBondContact O-N 2.91Å; W432-R434 PolarHBondContact O-N 2.84Å; R434-H438 VanDerWaalsContact O-CB 3.28Å; R434-H438 WeakPolarHBondContact O-CB 3.48Å; R434-H438 PolarHBondContact O-N 3.32Å; R434-F586 HydrophobicContact CB-CE1 4.18Å; R434-F586 HydrophobicContact CB-CE2 4.45Å; R434-F586 HydrophobicContact CB-CZ 3.79Å; R434-F586 VanDerWaalsContact CD-O 3.26Å; R434-F586 WeakPolarHBondContact CD-O 3.35Å; R434-F586 HydrophobicContact CG-CE1 4.17Å; R434-F586 HydrophobicContact CG-CZ 4.09Å; R434-F586 WeakPolarHBondContact CG-O 2.89Å; R434-F586 PolarHBondContact NE-O 2.76Å; R434-F586 PolarHBondContact NH1-O 3.19Å; R434-D589 IonicContact CZ-OD2 2.78Å; R434-D589 VanDerWaalsContact CZ-OD2 3.31Å; R434-D589 PolarHBondContact NH1-O 3.21Å; R434-D589 IonicContact NH1-OD2 3.81Å; R434-D589 PolarHBondContact NH1-OD2 3.39Å; R434-D589 IonicContact NH2-OD2 3.27Å; R434-D589 PolarHBondContact NH2-OD2 3.39Å; R434-I591 HydrophobicContact CG-CD1 4.24Å; R434-I591 HydrophobicContact CG-CG1 4.11Å
435Y83.9Confident82.8Confident13 Ų1334.5 Ų34.55%0.05117%0.167CC..Hα-helixtrans-66.7-39.2178.7179.5-115.9000113.8M431 W432 L433 Q439 G468 F595 L596 K599M431-Y435 WeakPolarHBondContact O-CB 3.11Å; M431-Y435 PolarHBondContact O-N 3.28Å; W432-Y435 PolarHBondContact O-N 2.91Å; L433-Y435 VanDerWaalsContact C-N 3.32Å; L433-Y435 PolarHBondContact O-N 3.4Å; Y435-Q439 VanDerWaalsContact CE1-NE2 3.27Å; Y435-Q439 WeakPolarHBondContact O-CG 3.44Å; Y435-Q439 PolarHBondContact O-N 3.38Å; Y435-Q439 PolarHBondContact O-NE2 2.8Å; Y435-G468 WeakPolarHBondContact CE1-O 3.26Å; Y435-F595 HydrophobicContact CD1-CD1 4.45Å; Y435-F595 HydrophobicContact CG-CD1 4.44Å; Y435-L596 HydrophobicContact CE2-CD2 3.78Å; Y435-L596 HydrophobicContact CE2-CG 4Å; Y435-K599 WeakPolarHBondContact OH-CE 3.26Å; Y435-K599 PolarHBondContact OH-NZ 3.11Å
436V86.4Confident83.5Confident0 Ų035.7 Ų35.70%017%0.17CC..Hα-helixtrans-70.5-45.9175.1169.80000111W432 L433 H438 Q439 I440 V470W432-V436 HydrophobicContact CD2-CG2 4Å; W432-V436 HydrophobicContact CE3-CG2 4.22Å; W432-V436 HydrophobicContact CH2-CG2 3.93Å; W432-V436 HydrophobicContact CZ2-CG2 3.69Å; W432-V436 HydrophobicContact CZ3-CG2 4.17Å; W432-V436 PolarHBondContact O-N 2.88Å; L433-V436 PolarHBondContact O-N 3.44Å; V436-H438 PolarHBondContact O-N 3.02Å; V436-Q439 PolarHBondContact O-N 3.47Å; V436-I440 HydrophobicContact CG1-CD1 3.9Å; V436-I440 WeakPolarHBondContact O-CG1 3.39Å; V436-I440 PolarHBondContact O-N 3.18Å; V436-I440 VanDerWaalsContact O-N 3.11Å; V436-V470 HydrophobicContact CB-CG2 4.45Å; V436-V470 HydrophobicContact CG1-CG2 3.95Å
437I89.8Confident83.9Confident1 Ų131.6 Ų31.61%0.00515%0.148CC..Hα-helixtrans-61.1-45.7178.5-67.9165.4000110.8L433 Q439 I440 V441 I524 F558 F561 F586 L587L433-I437 HydrophobicContact CD2-CD1 3.66Å; L433-I437 HydrophobicContact CG-CD1 3.83Å; L433-I437 WeakPolarHBondContact O-CB 3.49Å; L433-I437 WeakPolarHBondContact O-CD1 3.47Å; L433-I437 WeakPolarHBondContact O-CG1 3.29Å; L433-I437 PolarHBondContact O-N 3.01Å; I437-Q439 VanDerWaalsContact C-N 3.29Å; I437-Q439 PolarHBondContact O-N 3.4Å; I437-I440 PolarHBondContact O-N 3.16Å; I437-I440 VanDerWaalsContact O-N 3.12Å; I437-V441 HydrophobicContact CG2-CG2 4.02Å; I437-V441 WeakPolarHBondContact O-CG2 3.1Å; I437-V441 PolarHBondContact O-N 3.04Å; I437-I524 HydrophobicContact CD1-CD1 3.76Å; I437-I524 HydrophobicContact CD1-CG1 3.72Å; I437-I524 HydrophobicContact CD1-CG2 4.28Å; I437-I524 HydrophobicContact CG1-CD1 4.07Å; I437-I524 HydrophobicContact CG1-CG1 3.9Å; I437-I524 HydrophobicContact CG2-CD1 4.41Å; I437-F558 HydrophobicContact CD1-CE2 4.27Å; I437-F561 HydrophobicContact CD1-CE1 4.46Å; I437-F561 HydrophobicContact CG2-CE1 3.55Å; I437-F561 HydrophobicContact CG2-CZ 3.51Å; I437-F586 HydrophobicContact CD1-CE1 3.97Å; I437-L587 HydrophobicContact CG2-CD2 4.05Å
438H90.1Very high84.2Confident65 Ų6526.8 Ų26.830%0.30112%0.122SC..Hα-helixtrans-55.9-42.5178-177.6-73.3000112.2R434 V436 S442 L587 I591R434-H438 VanDerWaalsContact O-CB 3.28Å; R434-H438 WeakPolarHBondContact O-CB 3.48Å; R434-H438 PolarHBondContact O-N 3.32Å; V436-H438 PolarHBondContact O-N 3.02Å; H438-S442 VanDerWaalsContact O-CB 3.26Å; H438-S442 WeakPolarHBondContact O-CB 3.33Å; H438-S442 PolarHBondContact O-N 3.23Å; H438-L587 HydrophobicContact CB-CD2 4.28Å; H438-I591 HydrophobicContact CB-CD1 4.29Å
439Q90.8Very high84.6Confident8 Ų824.2 Ų24.24%0.03712%0.12CC..Hα-helixtrans-65.9-41.6176.5-72172.384.400112.6N347 Y435 V436 I437 S442 A443 G468 V470N347-Q439 PolarHBondContact ND2-OE1 3.08Å; Y435-Q439 VanDerWaalsContact CE1-NE2 3.27Å; Y435-Q439 WeakPolarHBondContact O-CG 3.44Å; Y435-Q439 PolarHBondContact O-N 3.38Å; Y435-Q439 PolarHBondContact O-NE2 2.8Å; V436-Q439 PolarHBondContact O-N 3.47Å; I437-Q439 VanDerWaalsContact C-N 3.29Å; I437-Q439 PolarHBondContact O-N 3.4Å; Q439-S442 PolarHBondContact O-N 3.5Å; Q439-A443 PolarHBondContact O-N 3.33Å; Q439-A443 VanDerWaalsContact O-N 3.12Å; Q439-G468 PolarHBondContact NE2-O 3.16Å; Q439-V470 HydrophobicContact CB-CB 3.91Å; Q439-V470 HydrophobicContact CB-CG2 3.82Å
440I90.5Very high84.6Confident0 Ų024.4 Ų24.40%012%0.119CC..Hα-helixtrans-63.3-49176.2-61.4162000110.3V436 I437 S442 A443 V444 L457 I462 V470 L472 L520V436-I440 HydrophobicContact CG1-CD1 3.9Å; V436-I440 WeakPolarHBondContact O-CG1 3.39Å; V436-I440 PolarHBondContact O-N 3.18Å; V436-I440 VanDerWaalsContact O-N 3.11Å; I437-I440 PolarHBondContact O-N 3.16Å; I437-I440 VanDerWaalsContact O-N 3.12Å; I440-S442 VanDerWaalsContact C-N 3.32Å; I440-S442 PolarHBondContact O-N 2.9Å; I440-A443 PolarHBondContact O-N 3.1Å; I440-V444 HydrophobicContact CG2-CG2 4.24Å; I440-V444 WeakPolarHBondContact O-CB 3.3Å; I440-V444 VanDerWaalsContact O-CG2 3.32Å; I440-V444 WeakPolarHBondContact O-CG2 3.38Å; I440-V444 PolarHBondContact O-N 2.81Å; I440-L457 HydrophobicContact CG2-CD1 4.09Å; I440-L457 HydrophobicContact CG2-CD2 4.11Å; I440-I462 HydrophobicContact CD1-CD1 4.26Å; I440-I462 HydrophobicContact CD1-CG2 4.28Å; I440-I462 HydrophobicContact CG1-CG2 4.41Å; I440-V470 HydrophobicContact CG1-CG1 3.86Å; I440-V470 HydrophobicContact CG1-CG2 4.42Å; I440-L472 HydrophobicContact CG2-CD1 4.47Å; I440-L520 HydrophobicContact CB-CD1 4.32Å; I440-L520 HydrophobicContact CD1-CD1 4.41Å; I440-L520 HydrophobicContact CG2-CD1 3.81Å
441V89Confident84Confident2 Ų226 Ų261%0.01213%0.132CC..Hα-helixtrans-62-40.1179177.50000110.8I437 A443 V444 S445 L520 F561 V578 I581 M582 L587I437-V441 HydrophobicContact CG2-CG2 4.02Å; I437-V441 WeakPolarHBondContact O-CG2 3.1Å; I437-V441 PolarHBondContact O-N 3.04Å; V441-A443 PolarHBondContact O-N 3.06Å; V441-V444 PolarHBondContact O-N 3.3Å; V441-S445 WeakPolarHBondContact O-CB 3.35Å; V441-S445 PolarHBondContact O-N 3.5Å; V441-L520 HydrophobicContact CG2-CD2 3.5Å; V441-F561 HydrophobicContact CG2-CZ 4.42Å; V441-V578 HydrophobicContact CG1-CG1 4.28Å; V441-I581 HydrophobicContact CG1-CG2 4.12Å; V441-I581 HydrophobicContact CG2-CG2 4.34Å; V441-M582 HydrophobicContact CB-CE 4.47Å; V441-M582 HydrophobicContact CG1-CE 3.98Å; V441-M582 HydrophobicContact CG1-CG 3.86Å; V441-M582 HydrophobicContact CG1-SD 3.8Å; V441-L587 HydrophobicContact CB-CD1 4.26Å; V441-L587 HydrophobicContact CG1-CD1 4.09Å; V441-L587 HydrophobicContact CG2-CD1 4.28Å
442S88.3Confident83.7Confident24 Ų2423.5 Ų23.517%0.16812%0.119CC..Hα-helixtrans-59.8-46.1176.4-167.40000112.8H345 H438 Q439 I440 W446H345-S442 VanDerWaalsContact CE1-CB 3.45Å; H345-S442 WeakPolarHBondContact CE1-CB 3.48Å; H345-S442 PolarHBondContact CE1-OG 2.64Å; H345-S442 VanDerWaalsContact NE2-C 3.29Å; H345-S442 WeakPolarHBondContact NE2-CB 3.37Å; H345-S442 PolarHBondContact NE2-O 2.99Å; H345-S442 PolarHBondContact NE2-OG 3.11Å; H438-S442 VanDerWaalsContact O-CB 3.26Å; H438-S442 WeakPolarHBondContact O-CB 3.33Å; H438-S442 PolarHBondContact O-N 3.23Å; Q439-S442 PolarHBondContact O-N 3.5Å; I440-S442 VanDerWaalsContact C-N 3.32Å; I440-S442 PolarHBondContact O-N 2.9Å; S442-W446 WeakPolarHBondContact O-CB 3.33Å; S442-W446 PolarHBondContact O-N 2.87Å
443A88.1Confident83.2Confident0 Ų021.3 Ų21.30%011%0.111CC..Hα-helixtrans-68.9-41.1177.200000113.1H345 N347 L348 Q439 I440 V441 W446 L447 L472H345-A443 PolarHBondContact CE1-N 3.3Å; N347-A443 HydrophobicContact CB-CB 4.04Å; L348-A443 HydrophobicContact CD2-CB 4.12Å; L348-A443 HydrophobicContact CG-CB 4.46Å; Q439-A443 PolarHBondContact O-N 3.33Å; Q439-A443 VanDerWaalsContact O-N 3.12Å; I440-A443 PolarHBondContact O-N 3.1Å; V441-A443 PolarHBondContact O-N 3.06Å; A443-W446 PolarHBondContact O-N 2.92Å; A443-L447 WeakPolarHBondContact O-CG 3.38Å; A443-L447 PolarHBondContact O-N 2.8Å; A443-L472 HydrophobicContact CB-CD1 3.33Å
444V85.5Confident83Confident3 Ų321.2 Ų21.22%0.01811%0.111CC..Hα-helixtrans-65.1-42.7176.9172.80000110.7I440 V441 W446 L447 H448 L457 D516I440-V444 HydrophobicContact CG2-CG2 4.24Å; I440-V444 WeakPolarHBondContact O-CB 3.3Å; I440-V444 VanDerWaalsContact O-CG2 3.32Å; I440-V444 WeakPolarHBondContact O-CG2 3.38Å; I440-V444 PolarHBondContact O-N 2.81Å; V441-V444 PolarHBondContact O-N 3.3Å; V444-W446 PolarHBondContact O-N 3.27Å; V444-L447 PolarHBondContact O-N 2.91Å; V444-H448 VanDerWaalsContact CG1-CE1 3.5Å; V444-H448 WeakPolarHBondContact CG1-CE1 3.36Å; V444-H448 WeakPolarHBondContact CG1-NE2 3.37Å; V444-H448 PolarHBondContact O-CD2 2.71Å; V444-H448 VanDerWaalsContact O-CG 3.25Å; V444-H448 PolarHBondContact O-N 3.25Å; V444-L457 HydrophobicContact CG2-CD1 4.16Å; V444-L457 HydrophobicContact CG2-CD2 4.29Å; V444-D516 HydrophobicContact CG1-CB 4.07Å
445S83.9Confident82Confident18 Ų1821.6 Ų21.613%0.12611%0.112CC..Hα-helixtrans-57.1-49.2173.1-164.20000111.3V441 H448 T449 V578V441-S445 WeakPolarHBondContact O-CB 3.35Å; V441-S445 PolarHBondContact O-N 3.5Å; S445-H448 PolarHBondContact O-N 3.1Å; S445-T449 PolarHBondContact O-N 3.49Å; S445-T449 PolarHBondContact O-OG1 2.99Å; S445-V578 VanDerWaalsContact CB-CG1 3.49Å
446W85Confident81.5Confident44 Ų4424.7 Ų24.717%0.16713%0.129CC..Hα-helixtrans-63.4-42.3179.6-171.896.1000112.1F339 Q342 D343 H345 L348 S442 A443 V444 H448 T449 Y450F339-W446 HydrophobicContact CD2-CH2 4.36Å; F339-W446 HydrophobicContact CD2-CZ3 4.23Å; F339-W446 HydrophobicContact CE2-CE3 4.23Å; F339-W446 AromaticContact CE2-CH2 3.88Å; F339-W446 HydrophobicContact CE2-CH2 3.88Å; F339-W446 AromaticContact CE2-CZ3 3.34Å; F339-W446 HydrophobicContact CE2-CZ3 3.34Å; F339-W446 HydrophobicContact CZ-CH2 4.24Å; F339-W446 AromaticContact CZ-CZ3 3.62Å; F339-W446 HydrophobicContact CZ-CZ3 3.62Å; Q342-W446 HydrophobicContact CB-CH2 4.3Å; Q342-W446 HydrophobicContact CB-CZ2 4.03Å; D343-W446 VanDerWaalsContact O-CZ2 3.31Å; D343-W446 WeakPolarHBondContact O-CZ2 3.4Å; H345-W446 HydrophobicContact CB-CB 4.39Å; H345-W446 HydrophobicContact CB-CD2 3.66Å; H345-W446 HydrophobicContact CB-CE3 3.95Å; H345-W446 HydrophobicContact CB-CG 3.86Å; H345-W446 HydrophobicContact CB-CZ3 4.47Å; H345-W446 AromaticContact CD2-CD1 3.83Å; H345-W446 AromaticContact CD2-CG 3.72Å; L348-W446 HydrophobicContact CD1-CE3 3.47Å; L348-W446 VanDerWaalsContact CD1-CE3 3.47Å; L348-W446 HydrophobicContact CD1-CH2 4.48Å; L348-W446 HydrophobicContact CD1-CZ3 3.42Å; L348-W446 VanDerWaalsContact CD1-CZ3 3.42Å; S442-W446 WeakPolarHBondContact O-CB 3.33Å; S442-W446 PolarHBondContact O-N 2.87Å; A443-W446 PolarHBondContact O-N 2.92Å; V444-W446 PolarHBondContact O-N 3.27Å; W446-H448 VanDerWaalsContact C-N 3.31Å; W446-H448 PolarHBondContact O-N 3.21Å; W446-T449 PolarHBondContact O-N 3.19Å; W446-Y450 AromaticContact CD2-CD2 3.99Å; W446-Y450 HydrophobicContact CD2-CD2 3.99Å; W446-Y450 HydrophobicContact CD2-CE2 4.02Å; W446-Y450 AromaticContact CE2-CD2 3.86Å; W446-Y450 AromaticContact CE2-CE2 3.48Å; W446-Y450 VanDerWaalsContact CE2-CE2 3.48Å; W446-Y450 HydrophobicContact CE3-CD2 4.23Å; W446-Y450 HydrophobicContact CG-CE2 4.44Å; W446-Y450 HydrophobicContact CH2-CD2 4.23Å; W446-Y450 HydrophobicContact CH2-CE2 4.35Å; W446-Y450 AromaticContact CZ2-CD2 3.99Å; W446-Y450 HydrophobicContact CZ2-CD2 3.99Å; W446-Y450 AromaticContact CZ2-CE2 3.67Å; W446-Y450 HydrophobicContact CZ2-CE2 3.67Å; W446-Y450 HydrophobicContact CZ3-CD2 4.36Å; W446-Y450 AromaticContact NE1-CE2 3.61Å; W446-Y450 WeakPolarHBondContact O-CD2 3.32Å; W446-Y450 PolarHBondContact O-N 3.4Å
447L80.3Confident81.3Confident0 Ų024.9 Ų24.90%013%0.13CC..Hα-helixtrans-56.2-46.8172.1-73.1172.2000111.2F339 L348 A443 V444 T449 Y450 S451 F452 Y475F339-L447 HydrophobicContact CE2-CD2 4.08Å; F339-L447 HydrophobicContact CZ-CD2 3.78Å; L348-L447 HydrophobicContact CD1-CD2 3.81Å; L348-L447 HydrophobicContact CD1-CG 4.2Å; L348-L447 HydrophobicContact CD2-CD1 4.06Å; L348-L447 HydrophobicContact CD2-CD2 4.2Å; L348-L447 HydrophobicContact CD2-CG 4.14Å; A443-L447 WeakPolarHBondContact O-CG 3.38Å; A443-L447 PolarHBondContact O-N 2.8Å; V444-L447 PolarHBondContact O-N 2.91Å; L447-T449 PolarHBondContact O-N 2.91Å; L447-Y450 CarbonylContact O-C 3.53Å; L447-Y450 PolarHBondContact O-N 2.64Å; L447-Y450 VanDerWaalsContact O-N 3.13Å; L447-S451 PolarHBondContact O-N 3.02Å; L447-F452 CarbonylContact C-O 3.57Å; L447-F452 HydrophobicContact CB-CB 4.07Å; L447-F452 HydrophobicContact CD2-CB 3.82Å; L447-F452 HydrophobicContact CD2-CG 4.46Å; L447-F452 CarbonylContact O-C 3.6Å; L447-F452 PolarHBondContact O-N 2.96Å; L447-Y475 HydrophobicContact CD1-CG 4.2Å; L447-Y475 HydrophobicContact CD2-CD2 3.79Å; L447-Y475 HydrophobicContact CD2-CE2 4.36Å; L447-Y475 HydrophobicContact CD2-CG 3.95Å
448H79.5Confident81Confident13 Ų1328.3 Ų28.36%0.0615%0.146CC..Hα-helixtrans-66-36.6-176.9-69.1-169.5000112.2V444 S445 W446 Y450 S451 F452 Q513 D516 V578V444-H448 VanDerWaalsContact CG1-CE1 3.5Å; V444-H448 WeakPolarHBondContact CG1-CE1 3.36Å; V444-H448 WeakPolarHBondContact CG1-NE2 3.37Å; V444-H448 PolarHBondContact O-CD2 2.71Å; V444-H448 VanDerWaalsContact O-CG 3.25Å; V444-H448 PolarHBondContact O-N 3.25Å; S445-H448 PolarHBondContact O-N 3.1Å; W446-H448 VanDerWaalsContact C-N 3.31Å; W446-H448 PolarHBondContact O-N 3.21Å; H448-Y450 PolarHBondContact O-N 3.23Å; H448-S451 PolarHBondContact O-N 3.15Å; H448-S451 VanDerWaalsContact O-N 3.14Å; H448-F452 WeakPolarHBondContact CA-O 2.97Å; H448-F452 PolarHBondContact CD2-O 2.7Å; H448-F452 VanDerWaalsContact CD2-O 3.31Å; H448-F452 PolarHBondContact N-O 2.74Å; H448-Q513 VanDerWaalsContact CE1-CA 3.42Å; H448-Q513 WeakPolarHBondContact CE1-CA 3.24Å; H448-Q513 WeakPolarHBondContact ND1-CB 3.44Å; H448-Q513 WeakPolarHBondContact ND1-CG 3.07Å; H448-D516 IonicContact CD2-OD2 3.6Å; H448-D516 IonicContact CE1-OD2 3.76Å; H448-D516 IonicContact NE2-OD2 3.88Å; H448-D516 PolarHBondContact NE2-OD2 3.48Å; H448-V578 VanDerWaalsContact ND1-CG2 3.26Å; H448-V578 WeakPolarHBondContact ND1-CG2 3.35Å
449T76.4Confident80.5Confident103 Ų10325.4 Ų25.463%0.63213%0.133SC*.Hα-helixtrans-55.5-38.2172.3-52.30000112S445 W446 L447S445-T449 PolarHBondContact O-N 3.49Å; S445-T449 PolarHBondContact O-OG1 2.99Å; W446-T449 PolarHBondContact O-N 3.19Å; L447-T449 PolarHBondContact O-N 2.91Å
450Y73.1Confident79.9Confident65 Ų6526.6 Ų26.626%0.25514%0.142SC..THydrogen-bonded Turntrans-9619.4179.7-66.1-78000114.5Y338 F339 Q342 W446 L447 H448 F452Y338-Y450 HydrophobicContact CE1-CD1 4.05Å; Y338-Y450 HydrophobicContact CE1-CE1 4.11Å; F339-Y450 HydrophobicContact CD2-CG 4.32Å; Q342-Y450 HydrophobicContact CG-CD1 4.07Å; Q342-Y450 HydrophobicContact CG-CE1 3.57Å; Q342-Y450 PolarHBondContact OE1-OH 2.76Å; Q342-Y450 VanDerWaalsContact OE1-OH 3.08Å; W446-Y450 AromaticContact CD2-CD2 3.99Å; W446-Y450 HydrophobicContact CD2-CD2 3.99Å; W446-Y450 HydrophobicContact CD2-CE2 4.02Å; W446-Y450 AromaticContact CE2-CD2 3.86Å; W446-Y450 AromaticContact CE2-CE2 3.48Å; W446-Y450 VanDerWaalsContact CE2-CE2 3.48Å; W446-Y450 HydrophobicContact CE3-CD2 4.23Å; W446-Y450 HydrophobicContact CG-CE2 4.44Å; W446-Y450 HydrophobicContact CH2-CD2 4.23Å; W446-Y450 HydrophobicContact CH2-CE2 4.35Å; W446-Y450 AromaticContact CZ2-CD2 3.99Å; W446-Y450 HydrophobicContact CZ2-CD2 3.99Å; W446-Y450 AromaticContact CZ2-CE2 3.67Å; W446-Y450 HydrophobicContact CZ2-CE2 3.67Å; W446-Y450 HydrophobicContact CZ3-CD2 4.36Å; W446-Y450 AromaticContact NE1-CE2 3.61Å; W446-Y450 WeakPolarHBondContact O-CD2 3.32Å; W446-Y450 PolarHBondContact O-N 3.4Å; L447-Y450 CarbonylContact O-C 3.53Å; L447-Y450 PolarHBondContact O-N 2.64Å; L447-Y450 VanDerWaalsContact O-N 3.13Å; H448-Y450 PolarHBondContact O-N 3.23Å; Y450-F452 WeakPolarHBondContact O-CD2 3.14Å; Y450-F452 PolarHBondContact O-N 2.73Å
451S70.4Confident79.6Confident47 Ų4727.1 Ų27.133%0.32915%0.145SC..THydrogen-bonded Turntrans64.417.8179.2-64.90000115.8L447 H448 F478 A479L447-S451 PolarHBondContact O-N 3.02Å; H448-S451 PolarHBondContact O-N 3.15Å; H448-S451 VanDerWaalsContact O-N 3.14Å; S451-F478 WeakPolarHBondContact O-CB 3.4Å; S451-F478 PolarHBondContact O-N 3.44Å; S451-A479 PolarHBondContact O-N 2.97Å
452F72.2Confident79.5Confident6 Ų627 Ų273%0.02615%0.145CC..EExtended strand (participates in β ladder)trans-93.3155.9165.2-79.3-109.9000110F339 L447 H448 Y450 Y475 E476 F477F339-F452 HydrophobicContact CB-CD2 4.31Å; F339-F452 HydrophobicContact CB-CE2 3.44Å; F339-F452 VanDerWaalsContact CB-CE2 3.44Å; F339-F452 HydrophobicContact CB-CZ 3.91Å; F339-F452 HydrophobicContact CD1-CD2 4.32Å; F339-F452 HydrophobicContact CD1-CE1 4.03Å; F339-F452 AromaticContact CD1-CE2 3.7Å; F339-F452 HydrophobicContact CD1-CE2 3.7Å; F339-F452 AromaticContact CD1-CZ 3.53Å; F339-F452 HydrophobicContact CD1-CZ 3.53Å; F339-F452 AromaticContact CD2-CD2 3.36Å; F339-F452 HydrophobicContact CD2-CD2 3.36Å; F339-F452 AromaticContact CD2-CE2 3.35Å; F339-F452 HydrophobicContact CD2-CE2 3.35Å; F339-F452 HydrophobicContact CD2-CG 4.1Å; F339-F452 HydrophobicContact CD2-CZ 4.06Å; F339-F452 HydrophobicContact CE1-CD1 4.28Å; F339-F452 HydrophobicContact CE1-CD2 4.49Å; F339-F452 AromaticContact CE1-CE1 3.99Å; F339-F452 HydrophobicContact CE1-CE1 3.99Å; F339-F452 HydrophobicContact CE1-CE2 4.23Å; F339-F452 AromaticContact CE1-CZ 3.97Å; F339-F452 HydrophobicContact CE1-CZ 3.97Å; F339-F452 HydrophobicContact CE2-CB 4.3Å; F339-F452 HydrophobicContact CE2-CD1 4.32Å; F339-F452 AromaticContact CE2-CD2 3.54Å; F339-F452 HydrophobicContact CE2-CD2 3.54Å; F339-F452 AromaticContact CE2-CE2 3.89Å; F339-F452 HydrophobicContact CE2-CE2 3.89Å; F339-F452 AromaticContact CE2-CG 3.8Å; F339-F452 HydrophobicContact CE2-CG 3.8Å; F339-F452 HydrophobicContact CE2-CZ 4.42Å; F339-F452 AromaticContact CG-CD2 3.77Å; F339-F452 HydrophobicContact CG-CD2 3.77Å; F339-F452 HydrophobicContact CG-CE1 4.38Å; F339-F452 AromaticContact CG-CE2 3.21Å; F339-F452 HydrophobicContact CG-CE2 3.21Å; F339-F452 AromaticContact CG-CZ 3.57Å; F339-F452 HydrophobicContact CG-CZ 3.57Å; F339-F452 HydrophobicContact CZ-CD1 4.1Å; F339-F452 HydrophobicContact CZ-CD2 4.12Å; F339-F452 HydrophobicContact CZ-CE1 4.27Å; F339-F452 HydrophobicContact CZ-CE2 4.3Å; F339-F452 HydrophobicContact CZ-CG 4.04Å; F339-F452 HydrophobicContact CZ-CZ 4.37Å; L447-F452 CarbonylContact C-O 3.57Å; L447-F452 HydrophobicContact CB-CB 4.07Å; L447-F452 HydrophobicContact CD2-CB 3.82Å; L447-F452 HydrophobicContact CD2-CG 4.46Å; L447-F452 CarbonylContact O-C 3.6Å; L447-F452 PolarHBondContact O-N 2.96Å; H448-F452 WeakPolarHBondContact CA-O 2.97Å; H448-F452 PolarHBondContact CD2-O 2.7Å; H448-F452 VanDerWaalsContact CD2-O 3.31Å; H448-F452 PolarHBondContact N-O 2.74Å; Y450-F452 WeakPolarHBondContact O-CD2 3.14Å; Y450-F452 PolarHBondContact O-N 2.73Å; F452-Y475 HydrophobicContact CD1-CD2 4.16Å; F452-E476 WeakPolarHBondContact CA-O 3.24Å; F452-E476 WeakPolarHBondContact CD1-O 3.5Å; F452-F477 HydrophobicContact CD1-CB 4.15Å; F452-F477 AromaticContact CD2-CD2 3.76Å; F452-F477 HydrophobicContact CD2-CD2 3.76Å; F452-F477 HydrophobicContact CE1-CB 3.76Å; F452-F477 HydrophobicContact CE2-CB 4.13Å; F452-F477 AromaticContact CE2-CD2 3.53Å; F452-F477 HydrophobicContact CE2-CD2 3.53Å; F452-F477 HydrophobicContact CE2-CE2 4.45Å; F452-F477 HydrophobicContact CE2-CG 4.3Å; F452-F477 HydrophobicContact CG-CB 4.5Å; F452-F477 HydrophobicContact CG-CD2 4.4Å; F452-F477 HydrophobicContact CZ-CB 3.75Å; F452-F477 HydrophobicContact CZ-CD2 4.02Å; F452-F477 HydrophobicContact CZ-CG 4.35Å
453V72.7Confident79.4Confident2 Ų228 Ų281%0.01215%0.146CC..EExtended strand (participates in β ladder)trans-141.5162.3167.7-51.40000109.1R455 E476 F478 V512 Q513 D516V453-R455 HydrophobicContact CG2-CG 3.52Å; V453-E476 PolarHBondContact N-O 3.44Å; V453-E476 PolarHBondContact O-N 3.04Å; V453-E476 VanDerWaalsContact O-O 3.05Å; V453-F478 HydrophobicContact CB-CB 4.17Å; V453-F478 HydrophobicContact CB-CG 4.26Å; V453-F478 HydrophobicContact CG1-CB 3.77Å; V453-F478 HydrophobicContact CG1-CD1 3.99Å; V453-F478 HydrophobicContact CG1-CG 3.76Å; V453-F478 HydrophobicContact CG2-CB 3.67Å; V453-F478 HydrophobicContact CG2-CD1 4.43Å; V453-F478 HydrophobicContact CG2-CD2 3.49Å; V453-F478 VanDerWaalsContact CG2-CD2 3.49Å; V453-F478 HydrophobicContact CG2-CE2 4.4Å; V453-F478 HydrophobicContact CG2-CG 3.53Å; V453-V512 HydrophobicContact CB-CG1 4.47Å; V453-V512 HydrophobicContact CG2-CG1 3.61Å; V453-Q513 HydrophobicContact CG1-CG 4.39Å; V453-D516 WeakPolarHBondContact CB-OD2 3.28Å
454H79Confident79.2Confident1 Ų128.4 Ų28.41%0.00515%0.148CC..  trans-81-34-177.2-158.4-41.1000112.8N456 L457 C473 K474 D516H454-N456 PolarHBondContact CE1-O 3.29Å; H454-N456 PolarHBondContact ND1-O 2.89Å; H454-N456 PolarHBondContact O-N 3.31Å; H454-L457 HydrophobicContact CB-CB 4.3Å; H454-L457 HydrophobicContact CB-CD1 4.35Å; H454-L457 WeakPolarHBondContact CD2-CD1 3.39Å; H454-C473 PolarHBondContact CE1-O 2.9Å; H454-C473 PolarHBondContact NE2-O 3.44Å; H454-K474 PolarHBondContact CE1-O 3.04Å; H454-K474 PolarHBondContact ND1-O 2.74Å; H454-D516 PolarHBondContact N-OD1 3.45Å; H454-D516 PolarHBondContact N-OD2 2.87Å
455R68.1Low79Confident38 Ų3830.7 Ų30.714%0.14316%0.16CC..SBendtrans61.3-30.7-176.7-60.3178.8134.8170.2-3116.3V453 E476 D482 V512 R515 D516 Q519V453-R455 HydrophobicContact CG2-CG 3.52Å; R455-E476 WeakPolarHBondContact CD-OE2 3.47Å; R455-E476 IonicContact CZ-OE2 3.77Å; R455-E476 IonicContact NE-OE2 3.81Å; R455-E476 IonicContact NH1-OE2 2.69Å; R455-E476 PolarHBondContact NH1-OE2 3.12Å; R455-D482 IonicContact CZ-OD2 3.16Å; R455-D482 IonicContact NE-OD2 2.75Å; R455-D482 IonicContact NH2-OD1 2.68Å; R455-D482 PolarHBondContact NH2-OD1 2.88Å; R455-D482 IonicContact NH2-OD2 3.82Å; R455-D482 PolarHBondContact NH2-OD2 3.09Å; R455-V512 HydrophobicContact CG-CG1 4.42Å; R455-R515 PolarHBondContact O-NE 3.05Å; R455-R515 VanDerWaalsContact O-NE 3.1Å; R455-R515 PolarHBondContact O-NH2 3.2Å; R455-D516 PolarHBondContact N-OD1 2.72Å; R455-Q519 VanDerWaalsContact C-OE1 3.29Å; R455-Q519 PolarHBondContact O-NE2 2.78Å; R455-Q519 PolarHBondContact O-OE1 3.49Å
456N73.4Confident78.4Confident79 Ų7937.4 Ų37.442%0.42220%0.195SC..  trans-139.959-176.1-169.321.6000110.2H454 H458 N461H454-N456 PolarHBondContact CE1-O 3.29Å; H454-N456 PolarHBondContact ND1-O 2.89Å; H454-N456 PolarHBondContact O-N 3.31Å; N456-H458 PolarHBondContact O-N 3.43Å; N456-N461 PolarHBondContact ND2-ND2 2.88Å; N456-N461 PolarHBondContact O-ND2 2.85Å
457L81.7Confident77.8Confident3 Ų337.5 Ų37.52%0.01620%0.203CC..  trans-72.970.6174.1-169.175.4000109.5I440 V444 H454 I462 L472 D516 Q519 L520 V523I440-L457 HydrophobicContact CG2-CD1 4.09Å; I440-L457 HydrophobicContact CG2-CD2 4.11Å; V444-L457 HydrophobicContact CG2-CD1 4.16Å; V444-L457 HydrophobicContact CG2-CD2 4.29Å; H454-L457 HydrophobicContact CB-CB 4.3Å; H454-L457 HydrophobicContact CB-CD1 4.35Å; H454-L457 WeakPolarHBondContact CD2-CD1 3.39Å; L457-I462 HydrophobicContact CD1-CD1 4.33Å; L457-I462 HydrophobicContact CD1-CG1 4.47Å; L457-I462 HydrophobicContact CG-CD1 4.36Å; L457-L472 HydrophobicContact CD1-CD2 3.51Å; L457-D516 WeakPolarHBondContact CD2-O 3.17Å; L457-Q519 HydrophobicContact CB-CB 3.89Å; L457-L520 HydrophobicContact CD2-CB 3.78Å; L457-L520 HydrophobicContact CD2-CD1 4.41Å; L457-V523 WeakPolarHBondContact O-CG2 3.47Å
458H82.3Confident77.5Confident73 Ų7337.8 Ų37.834%0.33821%0.205SC..  trans-105.4148.6-177.8-175.8-103.4000110.2E397 N456 S460 N461E397-H458 IonicContact OE2-CE1 3.53Å; N456-H458 PolarHBondContact O-N 3.43Å; H458-S460 WeakPolarHBondContact ND1-CB 3.28Å; H458-S460 PolarHBondContact ND1-N 2.84Å; H458-S460 PolarHBondContact ND1-OG 2.83Å; H458-S460 PolarHBondContact O-N 3.09Å; H458-N461 PolarHBondContact O-N 3.49Å
459P79.4Confident77.7Confident5 Ų539.5 Ų39.53%0.03221%0.213CC..G310 helixtrans-54.1-24179-28.937.7000115S395 L396 E397 N461 V523 H526S395-P459 PolarHBondContact OG-O 3.46Å; S395-P459 VanDerWaalsContact OG-O 3.05Å; L396-P459 HydrophobicContact CB-CB 4.13Å; L396-P459 WeakPolarHBondContact CB-O 3.38Å; L396-P459 HydrophobicContact CD2-CB 4.22Å; L396-P459 HydrophobicContact CG-CB 4.29Å; L396-P459 PolarHBondContact N-O 3.14Å; E397-P459 HydrophobicContact CB-CB 4.03Å; E397-P459 PolarHBondContact N-O 3.37Å; E397-P459 VanDerWaalsContact N-O 3.1Å; P459-N461 VanDerWaalsContact C-N 3.27Å; P459-N461 PolarHBondContact O-N 2.78Å; P459-V523 HydrophobicContact CG-CG2 4.12Å; P459-H526 HydrophobicContact CG-CB 4.01Å
460S79.9Confident78.2Confident32 Ų3234.6 Ų34.622%0.22418%0.183CC..G310 helixtrans-58.9-36.6171.5620000113.2S395 E397 H458 F463S395-S460 VanDerWaalsContact OG-CA 3.26Å; S395-S460 WeakPolarHBondContact OG-CA 3.42Å; S395-S460 PolarHBondContact OG-O 3.3Å; E397-S460 WeakPolarHBondContact OE2-CB 3.32Å; H458-S460 WeakPolarHBondContact ND1-CB 3.28Å; H458-S460 PolarHBondContact ND1-N 2.84Å; H458-S460 PolarHBondContact ND1-OG 2.83Å; H458-S460 PolarHBondContact O-N 3.09Å; S460-F463 WeakPolarHBondContact O-CE2 3.43Å
461N83.2Confident78.9Confident12 Ų1232.2 Ų32.26%0.06418%0.175CC..G310 helixtrans-98.4-2.9-169.3-55-17.2000112.8N456 H458 P459 C473N456-N461 PolarHBondContact ND2-ND2 2.88Å; N456-N461 PolarHBondContact O-ND2 2.85Å; H458-N461 PolarHBondContact O-N 3.49Å; P459-N461 VanDerWaalsContact C-N 3.27Å; P459-N461 PolarHBondContact O-N 2.78Å; N461-C473 PolarHBondContact O-N 2.86Å; N461-C473 PolarHBondContact O-SG 3.41Å
462I86.7Confident79.7Confident0 Ų030 Ų300%016%0.16CC..EExtended strand (participates in β ladder)trans-102.5116.3176.6-53.9175.4000107S395 L396 I440 L457 V470 L472 V523S395-I462 CarbonylContact C-O 3.6Å; L396-I462 HydrophobicContact CB-CB 4.13Å; L396-I462 HydrophobicContact CB-CG2 4.38Å; L396-I462 WeakPolarHBondContact CB-O 3.44Å; L396-I462 HydrophobicContact CD2-CB 4.27Å; L396-I462 HydrophobicContact CD2-CD1 4.18Å; L396-I462 HydrophobicContact CD2-CG2 4.2Å; L396-I462 PolarHBondContact N-O 3.39Å; I440-I462 HydrophobicContact CD1-CD1 4.26Å; I440-I462 HydrophobicContact CD1-CG2 4.28Å; I440-I462 HydrophobicContact CG1-CG2 4.41Å; L457-I462 HydrophobicContact CD1-CD1 4.33Å; L457-I462 HydrophobicContact CD1-CG1 4.47Å; L457-I462 HydrophobicContact CG-CD1 4.36Å; I462-V470 HydrophobicContact CG2-CG1 3.71Å; I462-L472 HydrophobicContact CB-CD2 4.43Å; I462-L472 HydrophobicContact CG1-CD2 3.73Å; I462-L472 HydrophobicContact CG2-CD2 4.47Å; I462-V523 HydrophobicContact CD1-CB 4.32Å; I462-V523 HydrophobicContact CD1-CG1 3.64Å; I462-V523 HydrophobicContact CD1-CG2 3.71Å
463F86.6Confident80Confident43 Ų4329.9 Ų29.919%0.18916%0.16CC..EExtended strand (participates in β ladder)trans-104.3131.8178.7-73.7-107.6000109.7P391 T394 S460 V470 T471P391-F463 HydrophobicContact CB-CB 4.16Å; P391-F463 HydrophobicContact CB-CD1 4.2Å; P391-F463 HydrophobicContact CB-CD2 3.7Å; P391-F463 HydrophobicContact CB-CE2 4.17Å; P391-F463 HydrophobicContact CB-CG 3.74Å; P391-F463 HydrophobicContact CG-CD1 4.22Å; P391-F463 HydrophobicContact CG-CD2 3.69Å; P391-F463 HydrophobicContact CG-CE1 4.14Å; P391-F463 HydrophobicContact CG-CE2 3.62Å; P391-F463 HydrophobicContact CG-CG 4.03Å; P391-F463 HydrophobicContact CG-CZ 3.85Å; T394-F463 CarbonylContact O-C 3.59Å; T394-F463 WeakPolarHBondContact O-CA 3.43Å; S460-F463 WeakPolarHBondContact O-CE2 3.43Å; F463-V470 CarbonylContact O-C 3.52Å; F463-V470 WeakPolarHBondContact O-CA 3.38Å; F463-T471 PolarHBondContact N-O 2.91Å; F463-T471 PolarHBondContact O-N 2.79Å
464V84.1Confident80.1Confident9 Ų931.5 Ų31.56%0.05517%0.167CC..EExtended strand (participates in β ladder)trans-119.4122.2175.9-171.40000108.5T394 L396 H469 V470T394-V464 PolarHBondContact N-O 3.32Å; T394-V464 PolarHBondContact O-N 2.92Å; T394-V464 PolarHBondContact OG1-O 3.4Å; L396-V464 HydrophobicContact CD1-CG2 4.01Å; V464-H469 WeakPolarHBondContact CA-O 3.36Å; V464-V470 HydrophobicContact CG2-CG2 4.45Å
465D80.8Confident79.9Confident51 Ų5132 Ų3227%0.27317%0.169SC..  trans-78.4172.617579.67000112.4S467 G468 H469D465-S467 VanDerWaalsContact CG-OG 3.28Å; D465-S467 PolarHBondContact O-N 2.81Å; D465-S467 VanDerWaalsContact OD1-CA 3.31Å; D465-S467 WeakPolarHBondContact OD1-CA 3.22Å; D465-S467 WeakPolarHBondContact OD1-CB 3.34Å; D465-S467 PolarHBondContact OD1-N 2.65Å; D465-S467 PolarHBondContact OD1-OG 3.25Å; D465-S467 PolarHBondContact OD2-OG 2.85Å; D465-G468 PolarHBondContact O-N 2.99Å; D465-G468 PolarHBondContact OD1-N 3.4Å; D465-H469 VanDerWaalsContact CG-CB 3.49Å; D465-H469 PolarHBondContact N-O 2.86Å; D465-H469 WeakPolarHBondContact OD1-CB 3.3Å; D465-H469 PolarHBondContact OD1-N 2.88Å; D465-H469 VanDerWaalsContact OD2-CB 3.31Å; D465-H469 WeakPolarHBondContact OD2-CB 2.98Å
466N72.1Confident79.8Confident159 Ų15931.4 Ų31.485%0.8517%0.168SC*.THydrogen-bonded Turntrans-60-11.3-179.6-62.1-10000114.3
467S72.2Confident79.2Confident47 Ų4728 Ų2833%0.32915%0.149SC..THydrogen-bonded Turntrans-103.3-3.1178.679.60000113.2D465 K599D465-S467 VanDerWaalsContact CG-OG 3.28Å; D465-S467 PolarHBondContact O-N 2.81Å; D465-S467 VanDerWaalsContact OD1-CA 3.31Å; D465-S467 WeakPolarHBondContact OD1-CA 3.22Å; D465-S467 WeakPolarHBondContact OD1-CB 3.34Å; D465-S467 PolarHBondContact OD1-N 2.65Å; D465-S467 PolarHBondContact OD1-OG 3.25Å; D465-S467 PolarHBondContact OD2-OG 2.85Å; S467-K599 WeakPolarHBondContact O-CE 3.23Å; S467-K599 PolarHBondContact O-NZ 2.87Å; S467-K599 WeakPolarHBondContact OG-CD 3.34Å; S467-K599 VanDerWaalsContact OG-CE 3.27Å; S467-K599 WeakPolarHBondContact OG-CE 3.31Å; S467-K599 PolarHBondContact OG-NZ 3.38Å
468G73.5Confident78.1Confident6 Ų629.4 Ų29.46%0.06216%0.155CC..  trans81.719.3-174.100000114.3Y435 Q439 D465Y435-G468 WeakPolarHBondContact CE1-O 3.26Å; Q439-G468 PolarHBondContact NE2-O 3.16Å; D465-G468 PolarHBondContact O-N 2.99Å; D465-G468 PolarHBondContact OD1-N 3.4Å
469H83.4Confident76.4Confident49 Ų4928 Ų2823%0.22716%0.157CC..  trans-75.7129170.1-15865.8000109.7P346 N347 V464 D465 K599P346-H469 PolarHBondContact O-NE2 2.97Å; N347-H469 PolarHBondContact ND2-CE1 2.88Å; N347-H469 VanDerWaalsContact ND2-CE1 3.29Å; N347-H469 PolarHBondContact ND2-NE2 2.71Å; V464-H469 WeakPolarHBondContact CA-O 3.36Å; D465-H469 VanDerWaalsContact CG-CB 3.49Å; D465-H469 PolarHBondContact N-O 2.86Å; D465-H469 WeakPolarHBondContact OD1-CB 3.3Å; D465-H469 PolarHBondContact OD1-N 2.88Å; D465-H469 VanDerWaalsContact OD2-CB 3.31Å; D465-H469 WeakPolarHBondContact OD2-CB 2.98Å; H469-K599 VanDerWaalsContact CA-NZ 3.3Å; H469-K599 VanDerWaalsContact CB-NZ 3.27Å
470V88.1Confident75Confident0 Ų033.6 Ų33.60%018%0.177CC..EExtended strand (participates in β ladder)trans-91.4131.8176.9-177.10000110.3N347 V436 Q439 I440 I462 F463 V464 L472N347-V470 VanDerWaalsContact CA-O 3.23Å; N347-V470 WeakPolarHBondContact CA-O 3.2Å; N347-V470 VanDerWaalsContact CB-O 3.24Å; N347-V470 WeakPolarHBondContact CB-O 3.02Å; N347-V470 PolarHBondContact ND2-O 3.19Å; V436-V470 HydrophobicContact CB-CG2 4.45Å; V436-V470 HydrophobicContact CG1-CG2 3.95Å; Q439-V470 HydrophobicContact CB-CB 3.91Å; Q439-V470 HydrophobicContact CB-CG2 3.82Å; I440-V470 HydrophobicContact CG1-CG1 3.86Å; I440-V470 HydrophobicContact CG1-CG2 4.42Å; I462-V470 HydrophobicContact CG2-CG1 3.71Å; F463-V470 CarbonylContact O-C 3.52Å; F463-V470 WeakPolarHBondContact O-CA 3.38Å; V464-V470 HydrophobicContact CG2-CG2 4.45Å; V470-L472 HydrophobicContact CG1-CG 4.34Å
471T87.4Confident73.5Confident14 Ų1433.1 Ų33.19%0.08617%0.172CC..EExtended strand (participates in β ladder)trans-121.6126.6166.3-49.80000109.5N347 P391 F463N347-T471 CarbonylContact O-C 3.16Å; N347-T471 WeakPolarHBondContact O-CA 3.45Å; P391-T471 HydrophobicContact CB-CG2 3.99Å; F463-T471 PolarHBondContact N-O 2.91Å; F463-T471 PolarHBondContact O-N 2.79Å
472L86.9Confident71.7Confident0 Ų034.2 Ų34.20%018%0.177CC..EExtended strand (participates in β ladder)trans-100.7145.2176.4-70.4150.7000111N347 L348 C349 I440 A443 L457 I462 V470N347-L472 PolarHBondContact O-N 2.84Å; L348-L472 HydrophobicContact CD2-CB 4.07Å; C349-L472 PolarHBondContact N-O 2.83Å; C349-L472 PolarHBondContact SG-O 3.44Å; I440-L472 HydrophobicContact CG2-CD1 4.47Å; A443-L472 HydrophobicContact CB-CD1 3.33Å; L457-L472 HydrophobicContact CD1-CD2 3.51Å; I462-L472 HydrophobicContact CB-CD2 4.43Å; I462-L472 HydrophobicContact CG1-CD2 3.73Å; I462-L472 HydrophobicContact CG2-CD2 4.47Å; V470-L472 HydrophobicContact CG1-CG 4.34Å
473C78.9Confident69.8Low5 Ų539.6 Ų39.63%0.03420%0.203CC..  trans-142.5165.4-17768.10000110.6P391 H454 N461P391-C473 HydrophobicContact CB-CB 4.29Å; P391-C473 HydrophobicContact CG-CB 3.98Å; H454-C473 PolarHBondContact CE1-O 2.9Å; H454-C473 PolarHBondContact NE2-O 3.44Å; N461-C473 PolarHBondContact O-N 2.86Å; N461-C473 PolarHBondContact O-SG 3.41Å
474K74.5Confident67.8Low36 Ų3640.3 Ų40.316%0.15721%0.208CC..  trans55.753.9-174.2-53-164.5175.4-166.90113.7D278 Y297 H454D278-K474 IonicContact OD1-NZ 2.65Å; D278-K474 PolarHBondContact OD1-NZ 3.12Å; Y297-K474 HydrophobicContact CD1-CD 4.06Å; Y297-K474 HydrophobicContact CD1-CG 3.84Å; Y297-K474 HydrophobicContact CD2-CD 4.13Å; Y297-K474 HydrophobicContact CE1-CB 3.83Å; Y297-K474 HydrophobicContact CE1-CD 4.01Å; Y297-K474 HydrophobicContact CE1-CG 3.63Å; Y297-K474 HydrophobicContact CE2-CD 4.15Å; Y297-K474 HydrophobicContact CG-CD 4.12Å; Y297-K474 HydrophobicContact CG-CG 4.41Å; H454-K474 PolarHBondContact CE1-O 3.04Å; H454-K474 PolarHBondContact ND1-O 2.74Å
475Y75Confident65.9Low12 Ų1240.6 Ų40.65%0.04721%0.21CC..  trans-103150.6169.651.5-97000110.5F339 L348 C349 L447 F452F339-Y475 AromaticContact CE1-CE2 3.9Å; F339-Y475 HydrophobicContact CE1-CE2 3.9Å; F339-Y475 HydrophobicContact CZ-CD2 4.42Å; F339-Y475 AromaticContact CZ-CE2 3.99Å; F339-Y475 HydrophobicContact CZ-CE2 3.99Å; L348-Y475 HydrophobicContact CB-CE1 4.28Å; L348-Y475 HydrophobicContact CD2-CD1 3.99Å; L348-Y475 HydrophobicContact CD2-CE1 3.96Å; C349-Y475 PolarHBondContact O-OH 3.18Å; C349-Y475 VanDerWaalsContact O-OH 3.04Å; L447-Y475 HydrophobicContact CD1-CG 4.2Å; L447-Y475 HydrophobicContact CD2-CD2 3.79Å; L447-Y475 HydrophobicContact CD2-CE2 4.36Å; L447-Y475 HydrophobicContact CD2-CG 3.95Å; F452-Y475 HydrophobicContact CD1-CD2 4.16Å
476E65.2Low64.1Low25 Ų2540.6 Ų40.612%0.11721%0.213CC..EExtended strand (participates in β ladder)trans-132.2150.5-168.2-65.9-178.1174.500112.8Y297 F452 V453 R455Y297-E476 PolarHBondContact OH-OE1 3.26Å; F452-E476 WeakPolarHBondContact CA-O 3.24Å; F452-E476 WeakPolarHBondContact CD1-O 3.5Å; V453-E476 PolarHBondContact N-O 3.44Å; V453-E476 PolarHBondContact O-N 3.04Å; V453-E476 VanDerWaalsContact O-O 3.05Å; R455-E476 WeakPolarHBondContact CD-OE2 3.47Å; R455-E476 IonicContact CZ-OE2 3.77Å; R455-E476 IonicContact NE-OE2 3.81Å; R455-E476 IonicContact NH1-OE2 2.69Å; R455-E476 PolarHBondContact NH1-OE2 3.12Å
477F61.9Low62.8Low7 Ų737.4 Ų37.43%0.03119%0.193CC..EExtended strand (participates in β ladder)trans-71.3133.9172.8179.2-100.6000110.4F332 Q335 F452 A479 R480F332-F477 AromaticContact CD2-CD1 3.68Å; F332-F477 HydrophobicContact CD2-CD1 3.68Å; F332-F477 HydrophobicContact CD2-CE1 4.36Å; F332-F477 HydrophobicContact CD2-CG 4.41Å; F332-F477 HydrophobicContact CE2-CB 3.99Å; F332-F477 AromaticContact CE2-CD1 3.85Å; F332-F477 HydrophobicContact CE2-CD1 3.85Å; F332-F477 HydrophobicContact CE2-CG 4.3Å; Q335-F477 HydrophobicContact CB-CE2 3.93Å; Q335-F477 HydrophobicContact CB-CZ 4.06Å; Q335-F477 HydrophobicContact CG-CZ 4.37Å; F452-F477 HydrophobicContact CD1-CB 4.15Å; F452-F477 AromaticContact CD2-CD2 3.76Å; F452-F477 HydrophobicContact CD2-CD2 3.76Å; F452-F477 HydrophobicContact CE1-CB 3.76Å; F452-F477 HydrophobicContact CE2-CB 4.13Å; F452-F477 AromaticContact CE2-CD2 3.53Å; F452-F477 HydrophobicContact CE2-CD2 3.53Å; F452-F477 HydrophobicContact CE2-CE2 4.45Å; F452-F477 HydrophobicContact CE2-CG 4.3Å; F452-F477 HydrophobicContact CG-CB 4.5Å; F452-F477 HydrophobicContact CG-CD2 4.4Å; F452-F477 HydrophobicContact CZ-CB 3.75Å; F452-F477 HydrophobicContact CZ-CD2 4.02Å; F452-F477 HydrophobicContact CZ-CG 4.35Å; F477-A479 HydrophobicContact CZ-CB 4.48Å; F477-R480 HydrophobicContact CE1-CB 4.5Å
478F57.2Low61.3Low32 Ų3236 Ų3614%0.1418%0.182CC..  trans-118.1-49.3-161.1-175.4-98.3000116.1S451 V453 R480 L481 D482 V512S451-F478 WeakPolarHBondContact O-CB 3.4Å; S451-F478 PolarHBondContact O-N 3.44Å; V453-F478 HydrophobicContact CB-CB 4.17Å; V453-F478 HydrophobicContact CB-CG 4.26Å; V453-F478 HydrophobicContact CG1-CB 3.77Å; V453-F478 HydrophobicContact CG1-CD1 3.99Å; V453-F478 HydrophobicContact CG1-CG 3.76Å; V453-F478 HydrophobicContact CG2-CB 3.67Å; V453-F478 HydrophobicContact CG2-CD1 4.43Å; V453-F478 HydrophobicContact CG2-CD2 3.49Å; V453-F478 VanDerWaalsContact CG2-CD2 3.49Å; V453-F478 HydrophobicContact CG2-CE2 4.4Å; V453-F478 HydrophobicContact CG2-CG 3.53Å; F478-R480 PolarHBondContact O-N 3.41Å; F478-L481 PolarHBondContact O-N 2.78Å; F478-D482 HydrophobicContact CE2-CB 3.81Å; F478-D482 VanDerWaalsContact CE2-OD2 3.32Å; F478-D482 WeakPolarHBondContact CE2-OD2 3.46Å; F478-D482 HydrophobicContact CZ-CB 3.75Å; F478-V512 HydrophobicContact CD1-CB 4.34Å; F478-V512 HydrophobicContact CD2-CB 4.26Å; F478-V512 HydrophobicContact CD2-CG1 3.98Å; F478-V512 HydrophobicContact CE1-CB 3.77Å; F478-V512 HydrophobicContact CE1-CG2 3.89Å; F478-V512 HydrophobicContact CE2-CB 3.65Å; F478-V512 HydrophobicContact CE2-CG1 3.63Å; F478-V512 HydrophobicContact CE2-CG2 3.54Å; F478-V512 HydrophobicContact CZ-CB 3.41Å; F478-V512 VanDerWaalsContact CZ-CB 3.41Å; F478-V512 HydrophobicContact CZ-CG1 3.97Å; F478-V512 HydrophobicContact CZ-CG2 3.14Å
479A48.4Very low59.8Low45 Ų4539 Ų3937%0.37220%0.197SC..THydrogen-bonded Turntrans-67.713.8-153.300000117.6S451 F477S451-A479 PolarHBondContact O-N 2.97Å; F477-A479 HydrophobicContact CZ-CB 4.48Å
480R49.2Very low57.9Low121 Ų12145 Ų4546%0.45722%0.222SC..THydrogen-bonded Turntrans-139-27177.4-135168.5-174.6158.13.8115.4F328 S331 F477 F478 I484F328-R480 HydrophobicContact CE2-CB 4.27Å; S331-R480 PolarHBondContact OG-NH1 3.35Å; F477-R480 HydrophobicContact CE1-CB 4.5Å; F478-R480 PolarHBondContact O-N 3.41Å; R480-I484 HydrophobicContact CG-CD1 4.08Å; R480-I484 WeakPolarHBondContact O-CB 3.15Å; R480-I484 WeakPolarHBondContact O-CD1 2.81Å; R480-I484 VanDerWaalsContact O-CG1 3.22Å; R480-I484 WeakPolarHBondContact O-CG1 3.49Å; R480-I484 PolarHBondContact O-N 3.5Å
481L49.2Very low55.8Low23 Ų2352.6 Ų52.612%0.1226%0.257CS..Hα-helixtrans-68.2-59.3-176.6-84.5163000112.1P293 F328 F332 F478 Q483 I484 V485P293-L481 HydrophobicContact CG-CD2 4.24Å; F328-L481 HydrophobicContact CZ-CD2 3.78Å; F328-L481 HydrophobicContact CZ-CG 4.04Å; F332-L481 HydrophobicContact CE2-CD1 4.44Å; F478-L481 PolarHBondContact O-N 2.78Å; L481-Q483 VanDerWaalsContact C-N 3.34Å; L481-Q483 PolarHBondContact O-N 3.27Å; L481-I484 PolarHBondContact O-N 3.47Å; L481-V485 WeakPolarHBondContact O-CG2 3.18Å; L481-V485 PolarHBondContact O-N 3Å
482D45.3Very low53.5Low34 Ų3456 Ų5618%0.18228%0.275CS..Hα-helixtrans-74.2-23.6-173-75.1-1.7000113.5R455 F478 S486R455-D482 IonicContact CZ-OD2 3.16Å; R455-D482 IonicContact NE-OD2 2.75Å; R455-D482 IonicContact NH2-OD1 2.68Å; R455-D482 PolarHBondContact NH2-OD1 2.88Å; R455-D482 IonicContact NH2-OD2 3.82Å; R455-D482 PolarHBondContact NH2-OD2 3.09Å; F478-D482 HydrophobicContact CE2-CB 3.81Å; F478-D482 VanDerWaalsContact CE2-OD2 3.32Å; F478-D482 WeakPolarHBondContact CE2-OD2 3.46Å; F478-D482 HydrophobicContact CZ-CB 3.75Å; D482-S486 VanDerWaalsContact O-CB 3.31Å; D482-S486 WeakPolarHBondContact O-CB 3.13Å; D482-S486 PolarHBondContact O-N 3.28Å
483Q45.1Very low51.1Low114 Ų11459 Ų5953%0.53331%0.306SS..Hα-helixtrans-66.2-49.3171.9-174.4170.9-7.200110.5L481 V485 S486 E487L481-Q483 VanDerWaalsContact C-N 3.34Å; L481-Q483 PolarHBondContact O-N 3.27Å; Q483-V485 VanDerWaalsContact C-N 3.32Å; Q483-V485 PolarHBondContact O-N 3.02Å; Q483-S486 PolarHBondContact O-N 2.99Å; Q483-S486 VanDerWaalsContact O-N 3.11Å; Q483-S486 PolarHBondContact O-OG 2.81Å; Q483-E487 WeakPolarHBondContact CG-OE1 3.25Å; Q483-E487 PolarHBondContact NE2-OE1 2.88Å; Q483-E487 WeakPolarHBondContact O-CG 3.28Å; Q483-E487 PolarHBondContact O-N 2.91Å
484I46.4Very low49.2Very low57 Ų5763 Ų6329%0.29233%0.33SS..Hα-helixtrans-58.7-43.7174.8-69.9172.6000110.6F328 R480 L481 S486 E487 N488F328-I484 HydrophobicContact CD2-CD1 3.94Å; F328-I484 HydrophobicContact CE2-CD1 4.04Å; R480-I484 HydrophobicContact CG-CD1 4.08Å; R480-I484 WeakPolarHBondContact O-CB 3.15Å; R480-I484 WeakPolarHBondContact O-CD1 2.81Å; R480-I484 VanDerWaalsContact O-CG1 3.22Å; R480-I484 WeakPolarHBondContact O-CG1 3.49Å; R480-I484 PolarHBondContact O-N 3.5Å; L481-I484 PolarHBondContact O-N 3.47Å; I484-S486 PolarHBondContact O-N 2.94Å; I484-E487 PolarHBondContact O-N 3.5Å; I484-N488 WeakPolarHBondContact CG2-ND2 3.21Å; I484-N488 VanDerWaalsContact O-CB 3.23Å; I484-N488 WeakPolarHBondContact O-CB 3.37Å; I484-N488 PolarHBondContact O-N 2.99Å; I484-N488 PolarHBondContact O-ND2 3.24Å
485V43.5Very low47.5Very low16 Ų1670.4 Ų70.410%0.09737%0.365CS..Hα-helixtrans-60.2-43.8174.3169.50000111.6F292 L481 Q483 L489F292-V485 HydrophobicContact CD1-CG2 4.3Å; F292-V485 HydrophobicContact CE1-CB 4.41Å; F292-V485 HydrophobicContact CE1-CG1 3.67Å; F292-V485 HydrophobicContact CE1-CG2 3.88Å; F292-V485 HydrophobicContact CZ-CG1 3.58Å; F292-V485 HydrophobicContact CZ-CG2 4.39Å; L481-V485 WeakPolarHBondContact O-CG2 3.18Å; L481-V485 PolarHBondContact O-N 3Å; Q483-V485 VanDerWaalsContact C-N 3.32Å; Q483-V485 PolarHBondContact O-N 3.02Å; V485-L489 HydrophobicContact CG1-CD1 3.78Å; V485-L489 HydrophobicContact CG1-CG 4.32Å; V485-L489 WeakPolarHBondContact O-CB 3.27Å; V485-L489 VanDerWaalsContact O-CG 3.27Å; V485-L489 WeakPolarHBondContact O-CG 3.39Å; V485-L489 PolarHBondContact O-N 2.79Å
486S42.2Very low45.7Very low50 Ų5074.9 Ų74.935%0.3539%0.389SS..Hα-helixtrans-70.4-35.1-178.382.90000113.4D482 Q483 I484 K490D482-S486 VanDerWaalsContact O-CB 3.31Å; D482-S486 WeakPolarHBondContact O-CB 3.13Å; D482-S486 PolarHBondContact O-N 3.28Å; Q483-S486 PolarHBondContact O-N 2.99Å; Q483-S486 VanDerWaalsContact O-N 3.11Å; Q483-S486 PolarHBondContact O-OG 2.81Å; I484-S486 PolarHBondContact O-N 2.94Å; S486-K490 WeakPolarHBondContact O-CG 3.15Å; S486-K490 PolarHBondContact O-N 3.02Å
487E44.6Very low44.2Very low92 Ų9277.2 Ų77.243%0.4341%0.407SS..Hα-helixtrans-72.5-41.8176-71.7174-168.400110.4Q483 I484 K490 Q491Q483-E487 WeakPolarHBondContact CG-OE1 3.25Å; Q483-E487 PolarHBondContact NE2-OE1 2.88Å; Q483-E487 WeakPolarHBondContact O-CG 3.28Å; Q483-E487 PolarHBondContact O-N 2.91Å; I484-E487 PolarHBondContact O-N 3.5Å; E487-K490 WeakPolarHBondContact O-CB 3.22Å; E487-K490 PolarHBondContact O-N 2.95Å; E487-Q491 WeakPolarHBondContact O-CG 2.92Å; E487-Q491 PolarHBondContact O-N 3.27Å
488N41.2Very low42.8Very low18 Ų1882 Ų8210%0.09644%0.439CS..Hα-helixtrans-68.3-38.7176-70.7-15.7000112.7I484 K490 Q491 L492I484-N488 WeakPolarHBondContact CG2-ND2 3.21Å; I484-N488 VanDerWaalsContact O-CB 3.23Å; I484-N488 WeakPolarHBondContact O-CB 3.37Å; I484-N488 PolarHBondContact O-N 2.99Å; I484-N488 PolarHBondContact O-ND2 3.24Å; N488-K490 VanDerWaalsContact C-N 3.29Å; N488-K490 PolarHBondContact O-N 3.27Å; N488-Q491 PolarHBondContact O-N 3.46Å; N488-Q491 VanDerWaalsContact O-N 3.16Å; N488-L492 WeakPolarHBondContact O-CB 3.43Å; N488-L492 WeakPolarHBondContact O-CG 3.46Å; N488-L492 PolarHBondContact O-N 3.17Å
489L41.9Very low41.5Very low70 Ų7089.9 Ų89.937%0.36647%0.473SS..Hα-helixtrans-62.8-35.2172.8-77.6171.4000112.1V485V485-L489 HydrophobicContact CG1-CD1 3.78Å; V485-L489 HydrophobicContact CG1-CG 4.32Å; V485-L489 WeakPolarHBondContact O-CB 3.27Å; V485-L489 VanDerWaalsContact O-CG 3.27Å; V485-L489 WeakPolarHBondContact O-CG 3.39Å; V485-L489 PolarHBondContact O-N 2.79Å
490K44Very low40.9Very low174 Ų17491.6 Ų91.676%0.75748%0.479SS*.Hα-helixtrans-69-35172.2-76.5171.6-179.41700112.6S486 E487 N488S486-K490 WeakPolarHBondContact O-CG 3.15Å; S486-K490 PolarHBondContact O-N 3.02Å; E487-K490 WeakPolarHBondContact O-CB 3.22Å; E487-K490 PolarHBondContact O-N 2.95Å; N488-K490 VanDerWaalsContact C-N 3.29Å; N488-K490 PolarHBondContact O-N 3.27Å
491Q42.9Very low40.1Very low159 Ų15992.6 Ų92.674%0.74348%0.484SS*.Hα-helixtrans-75.8-29176.9-72-174.99.500113.8E487 N488E487-Q491 WeakPolarHBondContact O-CG 2.92Å; E487-Q491 PolarHBondContact O-N 3.27Å; N488-Q491 PolarHBondContact O-N 3.46Å; N488-Q491 VanDerWaalsContact O-N 3.16Å
492L39.6Very low39.1Very low86 Ų8699.5 Ų99.545%0.4552%0.515SS..Hα-helixtrans-85.1-8.3-176.9-75165.3000114.9I291 N488 V494I291-L492 HydrophobicContact CD1-CD1 3.83Å; N488-L492 WeakPolarHBondContact O-CB 3.43Å; N488-L492 WeakPolarHBondContact O-CG 3.46Å; N488-L492 PolarHBondContact O-N 3.17Å; L492-V494 HydrophobicContact CB-CG2 4.18Å; L492-V494 PolarHBondContact O-N 2.95Å
493G36.4Very low38.4Very low64 Ų64100.3 Ų100.366%0.6652%0.523SS*.THydrogen-bonded Turntrans67.913.9173.300000116.1Q495G493-Q495 PolarHBondContact O-N 2.81Å
494V39.6Very low37.8Very low89 Ų8995.9 Ų95.954%0.53951%0.507SS..  trans-78.9105-173.8-1780000111.3L492 L496L492-V494 HydrophobicContact CB-CG2 4.18Å; L492-V494 PolarHBondContact O-N 2.95Å; V494-L496 PolarHBondContact O-N 3.08Å
495Q38.6Very low37.1Very low190 Ų19096.6 Ų96.689%0.88851%0.513SS*.  trans-74.6112.3167.9-69-171.1-0.200110.6G493G493-Q495 PolarHBondContact O-N 2.81Å
496L36.7Very low36.8Very low106 Ų106102.7 Ų102.756%0.55554%0.54SS*.  trans-78.1152.1173.5-75.9165.9000111.9V494V494-L496 PolarHBondContact O-N 3.08Å
497P33.6Very low36.5Very low74 Ų74105 Ų10548%0.48154%0.542SS..  trans-63.8146-170.5-24.435.1000114.9K499 T500 Y501P497-K499 VanDerWaalsContact C-N 3.3Å; P497-K499 PolarHBondContact O-N 3.14Å; P497-K499 VanDerWaalsContact O-N 3.16Å; P497-T500 WeakPolarHBondContact O-CB 3.34Å; P497-T500 PolarHBondContact O-N 3.25Å; P497-T500 PolarHBondContact O-OG1 3.28Å; P497-Y501 PolarHBondContact O-N 3.32Å; P497-Y501 VanDerWaalsContact O-N 3.1Å
498P32.6Very low36.1Very low108 Ų108108 Ų10870%0.70155%0.554SS**Hα-helixtrans-64.6-25.2-170.722.1-33000115.2Y501P498-Y501 WeakPolarHBondContact O-CB 3.46Å; P498-Y501 PolarHBondContact O-N 2.87Å
499K30.4Very low35.7Very low197 Ų197110.3 Ų110.386%0.85758%0.582SS**Hα-helixtrans-73.3-29.8174.3-76-170.3173.6-175.20113.2P497P497-K499 VanDerWaalsContact C-N 3.3Å; P497-K499 PolarHBondContact O-N 3.14Å; P497-K499 VanDerWaalsContact O-N 3.16Å
500T36.6Very low35.8Very low81 Ų81108.4 Ų108.450%0.49757%0.57SS.*Hα-helixtrans-73.5-35.2169.2-24.60000110P497 Q502 S503 A504P497-T500 WeakPolarHBondContact O-CB 3.34Å; P497-T500 PolarHBondContact O-N 3.25Å; P497-T500 PolarHBondContact O-OG1 3.28Å; T500-Q502 PolarHBondContact O-N 3.23Å; T500-S503 PolarHBondContact O-N 2.91Å; T500-A504 WeakPolarHBondContact O-CB 3.22Å; T500-A504 PolarHBondContact O-N 2.81Å
501Y31.2Very low36.5Very low143 Ų143102.6 Ų102.656%0.56155%0.551SS**Hα-helixtrans-58.2-41-174.2-148-106.7000114P497 P498 A504 V505P497-Y501 PolarHBondContact O-N 3.32Å; P497-Y501 VanDerWaalsContact O-N 3.1Å; P498-Y501 WeakPolarHBondContact O-CB 3.46Å; P498-Y501 PolarHBondContact O-N 2.87Å; Y501-A504 PolarHBondContact O-N 3.33Å; Y501-V505 HydrophobicContact CD1-CG2 3.56Å; Y501-V505 HydrophobicContact CD2-CG2 4.36Å; Y501-V505 HydrophobicContact CE1-CG2 3.53Å; Y501-V505 HydrophobicContact CE2-CG2 4.33Å; Y501-V505 HydrophobicContact CG-CG2 3.99Å; Y501-V505 VanDerWaalsContact O-CB 3.29Å; Y501-V505 WeakPolarHBondContact O-CB 3.32Å; Y501-V505 WeakPolarHBondContact O-CG2 3.28Å; Y501-V505 PolarHBondContact O-N 2.89Å
502Q27.9Very low37.3Very low167 Ų16796.1 Ų96.178%0.7852%0.522SS*.Hα-helixtrans-69.9-40.1-179.4-87.8-180-29.800114.2T500 A504T500-Q502 PolarHBondContact O-N 3.23Å; Q502-A504 VanDerWaalsContact C-N 3.34Å
503S31.5Very low38.8Very low51 Ų5195.1 Ų95.136%0.35752%0.515SS..Hα-helixtrans-75-23.4171.7-70.40000112.9T500 Y507 N536T500-S503 PolarHBondContact O-N 2.91Å; S503-Y507 WeakPolarHBondContact O-CB 3.37Å; S503-N536 PolarHBondContact OG-ND2 3.32Å; S503-N536 PolarHBondContact OG-OD1 2.79Å
504A32Very low40.4Very low22 Ų2293.1 Ų93.118%0.18249%0.489CS..Hα-helixtrans-84.6-37179.600000113.2T500 Y501 Q502 H506 Y507 F508T500-A504 WeakPolarHBondContact O-CB 3.22Å; T500-A504 PolarHBondContact O-N 2.81Å; Y501-A504 PolarHBondContact O-N 3.33Å; Q502-A504 VanDerWaalsContact C-N 3.34Å; A504-H506 PolarHBondContact O-N 2.92Å; A504-Y507 CarbonylContact O-C 3.46Å; A504-Y507 WeakPolarHBondContact O-CA 3.32Å; A504-Y507 PolarHBondContact O-N 3.13Å; A504-F508 HydrophobicContact CB-CD2 3.86Å; A504-F508 HydrophobicContact CB-CE2 4.07Å; A504-F508 WeakPolarHBondContact O-CD2 3.33Å; A504-F508 PolarHBondContact O-N 3.16Å
505V33Very low42Very low72 Ų7291.1 Ų91.144%0.43647%0.472SS..Hα-helixtrans-68.5-35-174.9164.90000112.3Y501 Y507 G509Y501-V505 HydrophobicContact CD1-CG2 3.56Å; Y501-V505 HydrophobicContact CD2-CG2 4.36Å; Y501-V505 HydrophobicContact CE1-CG2 3.53Å; Y501-V505 HydrophobicContact CE2-CG2 4.33Å; Y501-V505 HydrophobicContact CG-CG2 3.99Å; Y501-V505 VanDerWaalsContact O-CB 3.29Å; Y501-V505 WeakPolarHBondContact O-CB 3.32Å; Y501-V505 WeakPolarHBondContact O-CG2 3.28Å; Y501-V505 PolarHBondContact O-N 2.89Å; V505-Y507 PolarHBondContact O-N 3.05Å; V505-G509 WeakPolarHBondContact O-CA 3.34Å; V505-G509 PolarHBondContact O-N 3Å
506H35.9Very low43.9Very low143 Ų14382.1 Ų82.166%0.66243%0.429SS*.Hα-helixtrans-71.3-12169.7-100.6-73.7000114A504A504-H506 PolarHBondContact O-N 2.92Å
507Y35.8Very low46Very low98 Ų9877.1 Ų77.138%0.38440%0.403SS..Hα-helixtrans-112-21.9-171-136.4-111.8000113.8S503 A504 V505 Q519S503-Y507 WeakPolarHBondContact O-CB 3.37Å; A504-Y507 CarbonylContact O-C 3.46Å; A504-Y507 WeakPolarHBondContact O-CA 3.32Å; A504-Y507 PolarHBondContact O-N 3.13Å; V505-Y507 PolarHBondContact O-N 3.05Å; Y507-Q519 PolarHBondContact OH-NE2 3.45Å; Y507-Q519 VanDerWaalsContact OH-NE2 3.16Å
508F35.9Very low48.3Very low157 Ų15776.2 Ų76.269%0.68939%0.392SS*.Hα-helixtrans-111.3-13172-68.6-74.7000113.2A504 R510A504-F508 HydrophobicContact CB-CD2 3.86Å; A504-F508 HydrophobicContact CB-CE2 4.07Å; A504-F508 WeakPolarHBondContact O-CD2 3.33Å; A504-F508 PolarHBondContact O-N 3.16Å; F508-R510 VanDerWaalsContact C-N 3.32Å
509G33.9Very low50.8Low65 Ų6571.5 Ų71.567%0.6736%0.361SS*.SBendtrans-83.1-3.4177.300000114.9V505V505-G509 WeakPolarHBondContact O-CA 3.34Å; V505-G509 PolarHBondContact O-N 3Å
510R43.9Very low53.6Low30 Ų3062.2 Ų62.211%0.11332%0.321CS..SBendtrans-105.9148175.1-78.5-170.2172.5-177.43.7110.1F508 Q514 H518 L566F508-R510 VanDerWaalsContact C-N 3.32Å; R510-Q514 HydrophobicContact CB-CB 4.05Å; R510-Q514 HydrophobicContact CG-CB 4.45Å; R510-H518 PolarHBondContact NH1-CD2 3.04Å; R510-L566 PolarHBondContact NH1-O 3.25Å; R510-L566 PolarHBondContact NH2-O 2.85Å
511S57.8Low56Low52 Ų5258.4 Ų58.436%0.36430%0.297SS..  trans-61.8148.2168.283.50000108.9Q513 Q514 R515S511-Q513 PolarHBondContact O-N 3.1Å; S511-Q514 CarbonylContact O-C 3.48Å; S511-Q514 WeakPolarHBondContact O-CA 3.27Å; S511-Q514 VanDerWaalsContact O-CB 3.26Å; S511-Q514 WeakPolarHBondContact O-CB 3.31Å; S511-Q514 PolarHBondContact O-N 3.03Å; S511-Q514 WeakPolarHBondContact OG-CG 3.49Å; S511-R515 PolarHBondContact O-N 3.12Å; S511-R515 VanDerWaalsContact O-N 3.1Å
512V60.8Low58.7Low24 Ų2453.1 Ų53.115%0.14528%0.279CS..Hα-helixtrans-72-20.4-168.4-172.80000112.3V453 R455 F478 R515 D516V453-V512 HydrophobicContact CB-CG1 4.47Å; V453-V512 HydrophobicContact CG2-CG1 3.61Å; R455-V512 HydrophobicContact CG-CG1 4.42Å; F478-V512 HydrophobicContact CD1-CB 4.34Å; F478-V512 HydrophobicContact CD2-CB 4.26Å; F478-V512 HydrophobicContact CD2-CG1 3.98Å; F478-V512 HydrophobicContact CE1-CB 3.77Å; F478-V512 HydrophobicContact CE1-CG2 3.89Å; F478-V512 HydrophobicContact CE2-CB 3.65Å; F478-V512 HydrophobicContact CE2-CG1 3.63Å; F478-V512 HydrophobicContact CE2-CG2 3.54Å; F478-V512 HydrophobicContact CZ-CB 3.41Å; F478-V512 VanDerWaalsContact CZ-CB 3.41Å; F478-V512 HydrophobicContact CZ-CG1 3.97Å; F478-V512 HydrophobicContact CZ-CG2 3.14Å; V512-R515 HydrophobicContact CG1-CB 4.43Å; V512-R515 WeakPolarHBondContact O-CB 3.23Å; V512-R515 PolarHBondContact O-N 3.23Å; V512-R515 VanDerWaalsContact O-N 3.12Å; V512-D516 PolarHBondContact O-N 2.75Å
513Q70.2Confident61.5Low64 Ų6445.2 Ų45.230%0.29924%0.242SC..Hα-helixtrans-62-42.1165.4-59.1172-33.600111.8H448 V453 S511 R515 D516 L517H448-Q513 VanDerWaalsContact CE1-CA 3.42Å; H448-Q513 WeakPolarHBondContact CE1-CA 3.24Å; H448-Q513 WeakPolarHBondContact ND1-CB 3.44Å; H448-Q513 WeakPolarHBondContact ND1-CG 3.07Å; V453-Q513 HydrophobicContact CG1-CG 4.39Å; S511-Q513 PolarHBondContact O-N 3.1Å; Q513-R515 VanDerWaalsContact C-N 3.27Å; Q513-R515 PolarHBondContact O-N 2.92Å; Q513-D516 PolarHBondContact O-N 3.49Å; Q513-L517 WeakPolarHBondContact O-CG 3.36Å; Q513-L517 PolarHBondContact O-N 2.8Å
514Q71.5Confident64.2Low23 Ų2342.8 Ų42.811%0.10723%0.225CC..Hα-helixtrans-68-22.6171.9-63.1164.4-1400113R510 S511 H518 V577R510-Q514 HydrophobicContact CB-CB 4.05Å; R510-Q514 HydrophobicContact CG-CB 4.45Å; S511-Q514 CarbonylContact O-C 3.48Å; S511-Q514 WeakPolarHBondContact O-CA 3.27Å; S511-Q514 VanDerWaalsContact O-CB 3.26Å; S511-Q514 WeakPolarHBondContact O-CB 3.31Å; S511-Q514 PolarHBondContact O-N 3.03Å; S511-Q514 WeakPolarHBondContact OG-CG 3.49Å; Q514-H518 WeakPolarHBondContact O-CB 3.21Å; Q514-H518 PolarHBondContact O-N 2.99Å; Q514-V577 HydrophobicContact CG-CG2 4.08Å
515R71.3Confident66.7Low47 Ų4741.9 Ų41.918%0.17722%0.217CC..Hα-helixtrans-71.8-44.4174.1173.1173.7156.8177.3-7.1111.6R455 S511 V512 Q513 L517 H518 Q519R455-R515 PolarHBondContact O-NE 3.05Å; R455-R515 VanDerWaalsContact O-NE 3.1Å; R455-R515 PolarHBondContact O-NH2 3.2Å; S511-R515 PolarHBondContact O-N 3.12Å; S511-R515 VanDerWaalsContact O-N 3.1Å; V512-R515 HydrophobicContact CG1-CB 4.43Å; V512-R515 WeakPolarHBondContact O-CB 3.23Å; V512-R515 PolarHBondContact O-N 3.23Å; V512-R515 VanDerWaalsContact O-N 3.12Å; Q513-R515 VanDerWaalsContact C-N 3.27Å; Q513-R515 PolarHBondContact O-N 2.92Å; R515-L517 PolarHBondContact O-N 2.8Å; R515-H518 PolarHBondContact O-N 3.06Å; R515-Q519 WeakPolarHBondContact O-CB 3.22Å; R515-Q519 WeakPolarHBondContact O-CG 3.18Å; R515-Q519 PolarHBondContact O-N 2.91Å
516D79.5Confident69.1Low0 Ų039.4 Ų39.40%020%0.201CC..Hα-helixtrans-58.5-38.8172.7-73.6-2.3000111V444 H448 V453 H454 R455 L457 V512 Q513 Q519 L520V444-D516 HydrophobicContact CG1-CB 4.07Å; H448-D516 IonicContact CD2-OD2 3.6Å; H448-D516 IonicContact CE1-OD2 3.76Å; H448-D516 IonicContact NE2-OD2 3.88Å; H448-D516 PolarHBondContact NE2-OD2 3.48Å; V453-D516 WeakPolarHBondContact CB-OD2 3.28Å; H454-D516 PolarHBondContact N-OD1 3.45Å; H454-D516 PolarHBondContact N-OD2 2.87Å; R455-D516 PolarHBondContact N-OD1 2.72Å; L457-D516 WeakPolarHBondContact CD2-O 3.17Å; V512-D516 PolarHBondContact O-N 2.75Å; Q513-D516 PolarHBondContact O-N 3.49Å; D516-Q519 CarbonylContact O-C 3.49Å; D516-Q519 PolarHBondContact O-N 2.75Å; D516-L520 PolarHBondContact O-N 2.73Å
517L81.3Confident71.2Confident2 Ų233.5 Ų33.51%0.0117%0.174CC..Hα-helixtrans-70.9-39178.1-66.5170.7000113.6Q513 R515 Q519 L520 G521 C565 V577 V578 I581Q513-L517 WeakPolarHBondContact O-CG 3.36Å; Q513-L517 PolarHBondContact O-N 2.8Å; R515-L517 PolarHBondContact O-N 2.8Å; L517-Q519 VanDerWaalsContact C-N 3.31Å; L517-Q519 PolarHBondContact O-N 2.71Å; L517-L520 HydrophobicContact CD2-CD2 4.4Å; L517-L520 WeakPolarHBondContact O-CB 3.45Å; L517-L520 PolarHBondContact O-N 2.87Å; L517-G521 PolarHBondContact O-N 3.4Å; L517-C565 CarbonylContact C-O 3.6Å; L517-C565 VanDerWaalsContact O-O 3.13Å; L517-V577 HydrophobicContact CD1-CB 3.99Å; L517-V577 HydrophobicContact CD1-CG1 3.62Å; L517-V578 HydrophobicContact CD1-CG2 4.09Å; L517-V578 HydrophobicContact CD2-CG2 4.35Å; L517-V578 HydrophobicContact CG-CG2 4.41Å; L517-I581 HydrophobicContact CB-CD1 4.37Å; L517-I581 HydrophobicContact CD1-CD1 3.61Å; L517-I581 HydrophobicContact CD2-CD1 3.58Å; L517-I581 HydrophobicContact CD2-CG2 4.47Å; L517-I581 HydrophobicContact CG-CD1 4.03Å
518H81.6Confident73.2Confident54 Ų5429.3 Ų29.325%0.2516%0.158CC..Hα-helixtrans-60.2-43.7170179.7-94.6000111.1R510 Q514 R515 L520 G521 L522 C565 L566R510-H518 PolarHBondContact NH1-CD2 3.04Å; Q514-H518 WeakPolarHBondContact O-CB 3.21Å; Q514-H518 PolarHBondContact O-N 2.99Å; R515-H518 PolarHBondContact O-N 3.06Å; H518-L520 VanDerWaalsContact C-N 3.34Å; H518-G521 PolarHBondContact O-N 3Å; H518-L522 PolarHBondContact O-N 3.45Å; H518-L522 VanDerWaalsContact O-N 3.1Å; H518-C565 WeakPolarHBondContact CA-O 3.27Å; H518-C565 PolarHBondContact N-O 2.97Å; H518-L566 PolarHBondContact CD2-O 2.83Å
519Q85.2Confident75.1Confident10 Ų1024.2 Ų24.25%0.04714%0.137CC..Hα-helixtrans-65-36.1175.6-70.7175.2-10.300111.9R455 L457 Y507 R515 D516 L517 G521 L522 V523R455-Q519 VanDerWaalsContact C-OE1 3.29Å; R455-Q519 PolarHBondContact O-NE2 2.78Å; R455-Q519 PolarHBondContact O-OE1 3.49Å; L457-Q519 HydrophobicContact CB-CB 3.89Å; Y507-Q519 PolarHBondContact OH-NE2 3.45Å; Y507-Q519 VanDerWaalsContact OH-NE2 3.16Å; R515-Q519 WeakPolarHBondContact O-CB 3.22Å; R515-Q519 WeakPolarHBondContact O-CG 3.18Å; R515-Q519 PolarHBondContact O-N 2.91Å; D516-Q519 CarbonylContact O-C 3.49Å; D516-Q519 PolarHBondContact O-N 2.75Å; L517-Q519 VanDerWaalsContact C-N 3.31Å; L517-Q519 PolarHBondContact O-N 2.71Å; Q519-G521 VanDerWaalsContact C-N 3.34Å; Q519-G521 PolarHBondContact O-N 2.73Å; Q519-L522 CarbonylContact O-C 3.6Å; Q519-L522 WeakPolarHBondContact O-CB 3.32Å; Q519-L522 PolarHBondContact O-N 3.44Å; Q519-L522 VanDerWaalsContact O-N 3.16Å; Q519-V523 WeakPolarHBondContact O-CG2 3.42Å; Q519-V523 PolarHBondContact O-N 3.4Å
520L88.6Confident77Confident2 Ų221.2 Ų21.21%0.0111%0.106CC..Hα-helixtrans-60-43.3170.9177.263000111.4I440 V441 L457 D516 L517 H518 L522 V523 I524I440-L520 HydrophobicContact CB-CD1 4.32Å; I440-L520 HydrophobicContact CD1-CD1 4.41Å; I440-L520 HydrophobicContact CG2-CD1 3.81Å; V441-L520 HydrophobicContact CG2-CD2 3.5Å; L457-L520 HydrophobicContact CD2-CB 3.78Å; L457-L520 HydrophobicContact CD2-CD1 4.41Å; D516-L520 PolarHBondContact O-N 2.73Å; L517-L520 HydrophobicContact CD2-CD2 4.4Å; L517-L520 WeakPolarHBondContact O-CB 3.45Å; L517-L520 PolarHBondContact O-N 2.87Å; H518-L520 VanDerWaalsContact C-N 3.34Å; L520-L522 VanDerWaalsContact C-N 3.3Å; L520-L522 PolarHBondContact O-N 3.21Å; L520-V523 WeakPolarHBondContact O-CB 3.46Å; L520-V523 PolarHBondContact O-N 2.68Å; L520-I524 HydrophobicContact CD1-CD1 4.15Å; L520-I524 HydrophobicContact CD1-CG1 4.28Å; L520-I524 HydrophobicContact CG-CD1 3.93Å; L520-I524 HydrophobicContact CG-CG1 4.49Å; L520-I524 VanDerWaalsContact O-CG1 3.25Å; L520-I524 WeakPolarHBondContact O-CG1 3.27Å; L520-I524 PolarHBondContact O-N 3.24Å
521G88Confident78.2Confident0 Ų027.5 Ų27.50%013%0.134CC..Hα-helixtrans-58-41.7173.400000112.7L517 H518 Q519 I524 L525L517-G521 PolarHBondContact O-N 3.4Å; H518-G521 PolarHBondContact O-N 3Å; Q519-G521 VanDerWaalsContact C-N 3.34Å; Q519-G521 PolarHBondContact O-N 2.73Å; G521-I524 PolarHBondContact O-N 2.93Å; G521-L525 WeakPolarHBondContact O-CG 3.36Å; G521-L525 PolarHBondContact O-N 3.42Å
522L86.3Confident78.9Confident33 Ų3326.6 Ų26.617%0.17313%0.125CC..Hα-helixtrans-67.9-37.4174.4-62.8178.5000112.8H518 Q519 L520 L525 H526 L532 L566H518-L522 PolarHBondContact O-N 3.45Å; H518-L522 VanDerWaalsContact O-N 3.1Å; Q519-L522 CarbonylContact O-C 3.6Å; Q519-L522 WeakPolarHBondContact O-CB 3.32Å; Q519-L522 PolarHBondContact O-N 3.44Å; Q519-L522 VanDerWaalsContact O-N 3.16Å; L520-L522 VanDerWaalsContact C-N 3.3Å; L520-L522 PolarHBondContact O-N 3.21Å; L522-L525 HydrophobicContact CD2-CD1 4.37Å; L522-L525 PolarHBondContact O-N 2.91Å; L522-H526 WeakPolarHBondContact O-CB 3.42Å; L522-H526 PolarHBondContact O-N 2.89Å; L522-L532 HydrophobicContact CB-CD1 4.29Å; L522-L532 HydrophobicContact CD2-CD1 4.44Å; L522-L532 VanDerWaalsContact O-CD1 3.28Å; L522-L532 WeakPolarHBondContact O-CD1 3.1Å; L522-L566 HydrophobicContact CD2-CD2 4.25Å
523V87.3Confident79.1Confident1 Ų127.5 Ų27.51%0.00613%0.132CC..Hα-helixtrans-61.6-45.8172.81670000110.4L396 L457 P459 I462 Q519 L520 L525 H526 I527L396-V523 HydrophobicContact CD2-CG1 3.76Å; L457-V523 WeakPolarHBondContact O-CG2 3.47Å; P459-V523 HydrophobicContact CG-CG2 4.12Å; I462-V523 HydrophobicContact CD1-CB 4.32Å; I462-V523 HydrophobicContact CD1-CG1 3.64Å; I462-V523 HydrophobicContact CD1-CG2 3.71Å; Q519-V523 WeakPolarHBondContact O-CG2 3.42Å; Q519-V523 PolarHBondContact O-N 3.4Å; L520-V523 WeakPolarHBondContact O-CB 3.46Å; L520-V523 PolarHBondContact O-N 2.68Å; V523-L525 VanDerWaalsContact C-N 3.34Å; V523-L525 PolarHBondContact O-N 3.45Å; V523-H526 WeakPolarHBondContact O-CB 3.48Å; V523-H526 PolarHBondContact O-N 3.03Å; V523-H526 VanDerWaalsContact O-N 3.12Å; V523-I527 HydrophobicContact CG1-CD1 3.95Å; V523-I527 HydrophobicContact CG1-CG1 4.45Å; V523-I527 VanDerWaalsContact O-CG1 3.27Å; V523-I527 WeakPolarHBondContact O-CG1 3.5Å; V523-I527 PolarHBondContact O-N 3.3Å
524I88.1Confident78.7Confident0 Ų032.6 Ų32.60%016%0.155CC..Hα-helixtrans-62.2-43.3179.2-65.2163.3000110.7L433 I437 L520 G521 I527 L528 F558 F561 L562L433-I524 HydrophobicContact CD2-CG2 4.29Å; I437-I524 HydrophobicContact CD1-CD1 3.76Å; I437-I524 HydrophobicContact CD1-CG1 3.72Å; I437-I524 HydrophobicContact CD1-CG2 4.28Å; I437-I524 HydrophobicContact CG1-CD1 4.07Å; I437-I524 HydrophobicContact CG1-CG1 3.9Å; I437-I524 HydrophobicContact CG2-CD1 4.41Å; L520-I524 HydrophobicContact CD1-CD1 4.15Å; L520-I524 HydrophobicContact CD1-CG1 4.28Å; L520-I524 HydrophobicContact CG-CD1 3.93Å; L520-I524 HydrophobicContact CG-CG1 4.49Å; L520-I524 VanDerWaalsContact O-CG1 3.25Å; L520-I524 WeakPolarHBondContact O-CG1 3.27Å; L520-I524 PolarHBondContact O-N 3.24Å; G521-I524 PolarHBondContact O-N 2.93Å; I524-I527 WeakPolarHBondContact O-CB 3.24Å; I524-I527 PolarHBondContact O-N 2.97Å; I524-L528 HydrophobicContact CG2-CD1 4.21Å; I524-L528 WeakPolarHBondContact O-CG 3.06Å; I524-L528 PolarHBondContact O-N 3.38Å; I524-F558 HydrophobicContact CG2-CE2 4.05Å; I524-F558 HydrophobicContact CG2-CZ 3.69Å; I524-F561 HydrophobicContact CD1-CD1 4.36Å; I524-F561 HydrophobicContact CD1-CE1 3.76Å; I524-L562 HydrophobicContact CB-CD1 3.9Å; I524-L562 HydrophobicContact CD1-CD1 4.43Å; I524-L562 HydrophobicContact CG2-CD1 3.74Å; I524-L562 HydrophobicContact CG2-CD2 4.47Å
525L84.3Confident77.9Confident2 Ų234.8 Ų34.81%0.0118%0.178CC..Hα-helixtrans-59.3-46.7171.7-71.4164.4000111.6G521 L522 V523 I527 L528 I529 L532 I544 V547 L562 L566G521-L525 WeakPolarHBondContact O-CG 3.36Å; G521-L525 PolarHBondContact O-N 3.42Å; L522-L525 HydrophobicContact CD2-CD1 4.37Å; L522-L525 PolarHBondContact O-N 2.91Å; V523-L525 VanDerWaalsContact C-N 3.34Å; V523-L525 PolarHBondContact O-N 3.45Å; L525-I527 PolarHBondContact O-N 3.29Å; L525-L528 PolarHBondContact O-N 2.59Å; L525-I529 WeakPolarHBondContact O-CG1 3.25Å; L525-I529 PolarHBondContact O-N 2.9Å; L525-L532 HydrophobicContact CB-CD1 4.14Å; L525-L532 HydrophobicContact CB-CD2 4.19Å; L525-I544 HydrophobicContact CD1-CD1 4.27Å; L525-I544 HydrophobicContact CD1-CG1 3.68Å; L525-V547 HydrophobicContact CD2-CB 4.27Å; L525-V547 HydrophobicContact CD2-CG1 3.98Å; L525-V547 HydrophobicContact CD2-CG2 4.39Å; L525-L562 HydrophobicContact CD2-CD2 4.22Å; L525-L562 HydrophobicContact CG-CD1 4.45Å; L525-L566 HydrophobicContact CD1-CD1 3.98Å; L525-L566 HydrophobicContact CD1-CD2 3.88Å
526H83.6Confident77Confident21 Ų2138.6 Ų38.610%0.09720%0.201CC..Hα-helixtrans-57.4-37.1177.8-169.3117.1000112.2P459 L522 V523 G530 L532P459-H526 HydrophobicContact CG-CB 4.01Å; L522-H526 WeakPolarHBondContact O-CB 3.42Å; L522-H526 PolarHBondContact O-N 2.89Å; V523-H526 WeakPolarHBondContact O-CB 3.48Å; V523-H526 PolarHBondContact O-N 3.03Å; V523-H526 VanDerWaalsContact O-N 3.12Å; H526-G530 WeakPolarHBondContact CA-O 3.31Å; H526-G530 CarbonylContact O-C 3.59Å; H526-G530 WeakPolarHBondContact O-CA 3.15Å; H526-G530 PolarHBondContact O-N 3.41Å; H526-L532 HydrophobicContact CB-CD1 4.21Å
527I81.2Confident76.1Confident19 Ų1940 Ų4010%0.09721%0.211CC..Hα-helixtrans-67.1-41175-63.9166.7000111.5L396 L404 W432 L433 V523 I524 L525L396-I527 HydrophobicContact CD1-CD1 4.5Å; L396-I527 HydrophobicContact CD1-CG1 4.23Å; L396-I527 HydrophobicContact CD2-CD1 3.89Å; L396-I527 HydrophobicContact CD2-CG1 3.87Å; L396-I527 HydrophobicContact CG-CG1 4.32Å; L404-I527 HydrophobicContact CD1-CG2 3.29Å; W432-I527 HydrophobicContact CZ3-CG2 3.95Å; L433-I527 HydrophobicContact CD1-CB 4.25Å; L433-I527 HydrophobicContact CD1-CG2 3.36Å; V523-I527 HydrophobicContact CG1-CD1 3.95Å; V523-I527 HydrophobicContact CG1-CG1 4.45Å; V523-I527 VanDerWaalsContact O-CG1 3.27Å; V523-I527 WeakPolarHBondContact O-CG1 3.5Å; V523-I527 PolarHBondContact O-N 3.3Å; I524-I527 WeakPolarHBondContact O-CB 3.24Å; I524-I527 PolarHBondContact O-N 2.97Å; L525-I527 PolarHBondContact O-N 3.29Å
528L77.9Confident75.2Confident9 Ų946 Ų465%0.04725%0.248CC..Hα-helixtrans-73.7-43.9-176.7-69.4174000114S405 I425 L433 I524 L525 V547 F558 L562S405-L528 WeakPolarHBondContact CA-O 3.46Å; I425-L528 HydrophobicContact CD1-CD2 3.58Å; L433-L528 HydrophobicContact CD1-CD2 4.17Å; L433-L528 HydrophobicContact CD2-CD2 4.32Å; I524-L528 HydrophobicContact CG2-CD1 4.21Å; I524-L528 WeakPolarHBondContact O-CG 3.06Å; I524-L528 PolarHBondContact O-N 3.38Å; L525-L528 PolarHBondContact O-N 2.59Å; L528-V547 HydrophobicContact CD1-CG1 4.42Å; L528-F558 HydrophobicContact CD1-CE1 3.93Å; L528-F558 HydrophobicContact CD1-CZ 3.99Å; L528-F558 HydrophobicContact CD2-CE1 4.27Å; L528-F558 HydrophobicContact CD2-CZ 4.48Å; L528-L562 HydrophobicContact CD1-CD2 4.12Å
529I74.8Confident74.5Confident50 Ų5048.6 Ų48.626%0.25626%0.26SS..Hα-helixtrans-120.3-0.6-169.552.2159.3000114L525 L532 L543 V547L525-I529 WeakPolarHBondContact O-CG1 3.25Å; L525-I529 PolarHBondContact O-N 2.9Å; I529-L532 HydrophobicContact CD1-CD2 3.83Å; I529-L543 HydrophobicContact CD1-CD1 3.99Å; I529-L543 HydrophobicContact CD1-CD2 3.55Å; I529-L543 HydrophobicContact CD1-CG 3.79Å; I529-V547 HydrophobicContact CG2-CG2 4.31Å
530G73Confident73.7Confident2 Ų248.8 Ų48.82%0.02126%0.261CS..SBendtrans82-150.7-179.100000113.4H526 L532H526-G530 WeakPolarHBondContact CA-O 3.31Å; H526-G530 CarbonylContact O-C 3.59Å; H526-G530 WeakPolarHBondContact O-CA 3.15Å; H526-G530 PolarHBondContact O-N 3.41Å; G530-L532 PolarHBondContact O-N 2.86Å
531K70.9Confident72.9Confident162 Ų16252.8 Ų52.870%0.70429%0.286SS*.SBendtrans-65.6110.3-167.8-160.7167.7-167.4162.80111.8E397E397-K531 IonicContact OE1-NZ 3.02Å
532L70.9Confident72.3Confident33 Ų3355.6 Ų55.617%0.17331%0.305CS..PPolyproline II helixtrans-65.8151.5179.8-77.2168.4000113.1L522 L525 H526 I529 G530 I540 L543L522-L532 HydrophobicContact CB-CD1 4.29Å; L522-L532 HydrophobicContact CD2-CD1 4.44Å; L522-L532 VanDerWaalsContact O-CD1 3.28Å; L522-L532 WeakPolarHBondContact O-CD1 3.1Å; L525-L532 HydrophobicContact CB-CD1 4.14Å; L525-L532 HydrophobicContact CB-CD2 4.19Å; H526-L532 HydrophobicContact CB-CD1 4.21Å; I529-L532 HydrophobicContact CD1-CD2 3.83Å; G530-L532 PolarHBondContact O-N 2.86Å; L532-I540 HydrophobicContact CB-CD1 4.5Å; L532-I540 HydrophobicContact CD2-CG1 4.5Å; L532-L543 HydrophobicContact CD2-CD2 4.13Å
533P65.5Low71.9Confident43 Ų4355.7 Ų55.728%0.27931%0.306SS..PPolyproline II helixtrans-56.6166.4163-21.232.4000112A535 I540 L543P533-A535 PolarHBondContact O-N 3.26Å; P533-I540 HydrophobicContact CB-CD1 4.34Å; P533-I540 HydrophobicContact CB-CG1 4.17Å; P533-I540 HydrophobicContact CG-CG1 4.21Å; P533-I540 WeakPolarHBondContact O-CD1 3.26Å; P533-L543 HydrophobicContact CG-CD2 4.35Å
534H61.4Low71.6Confident171 Ų17156.3 Ų56.379%0.79231%0.309SS*.PPolyproline II helixtrans-63.7136.7175.3-83.124.1000111.4N536 S537H534-N536 PolarHBondContact O-N 3.45Å; H534-S537 WeakPolarHBondContact O-CB 3.24Å; H534-S537 PolarHBondContact O-N 2.88Å; H534-S537 VanDerWaalsContact O-N 3.08Å; H534-S537 PolarHBondContact O-OG 3.26Å
535A54.8Low71.3Confident70 Ų7059 Ų5958%0.57933%0.328SS*.THydrogen-bonded Turntrans-57.2-13.4-167.100000116.7P533P533-A535 PolarHBondContact O-N 3.26Å
536N53.5Low71Confident126 Ų12661.8 Ų61.867%0.67434%0.341SS*.THydrogen-bonded Turntrans-102.918.6-179-64.4-41.2000113.3S503 H534S503-N536 PolarHBondContact OG-ND2 3.32Å; S503-N536 PolarHBondContact OG-OD1 2.79Å; H534-N536 PolarHBondContact O-N 3.45Å
537S59.4Low70.9Confident30 Ų3061.3 Ų61.321%0.2134%0.339CS..  trans-99.4141.9-178580000112.5H534 E539 I540H534-S537 WeakPolarHBondContact O-CB 3.24Å; H534-S537 PolarHBondContact O-N 2.88Å; H534-S537 VanDerWaalsContact O-N 3.08Å; H534-S537 PolarHBondContact O-OG 3.26Å; S537-E539 PolarHBondContact O-N 2.92Å; S537-I540 PolarHBondContact O-N 3.27Å
538T63.8Low71Confident127 Ų12760.8 Ų60.878%0.77934%0.337SS*.Hα-helixtrans-61-26.6171.341.60000112.6I540 V541 S542T538-I540 VanDerWaalsContact C-N 3.3Å; T538-I540 PolarHBondContact O-N 3.25Å; T538-V541 PolarHBondContact O-N 3.31Å; T538-S542 PolarHBondContact O-N 2.83Å
539E65.4Low71.1Confident109 Ų10964.6 Ų64.651%0.50936%0.357SS..Hα-helixtrans-56.9-40.7174.9-65.4171.2175.300112S537 V541 S542 L543S537-E539 PolarHBondContact O-N 2.92Å; E539-V541 VanDerWaalsContact C-N 3.33Å; E539-V541 PolarHBondContact O-N 3.42Å; E539-S542 PolarHBondContact O-N 2.64Å; E539-L543 VanDerWaalsContact O-CB 3.24Å; E539-L543 WeakPolarHBondContact O-CB 3.36Å; E539-L543 PolarHBondContact O-N 2.92Å
540I69.9Low71.2Confident14 Ų1463.1 Ų63.17%0.07235%0.354CS..Hα-helixtrans-62.4-38.1177.5-102.2172.6000112.3L532 P533 S537 T538 L543 I544L532-I540 HydrophobicContact CB-CD1 4.5Å; L532-I540 HydrophobicContact CD2-CG1 4.5Å; P533-I540 HydrophobicContact CB-CD1 4.34Å; P533-I540 HydrophobicContact CB-CG1 4.17Å; P533-I540 HydrophobicContact CG-CG1 4.21Å; P533-I540 WeakPolarHBondContact O-CD1 3.26Å; S537-I540 PolarHBondContact O-N 3.27Å; T538-I540 VanDerWaalsContact C-N 3.3Å; T538-I540 PolarHBondContact O-N 3.25Å; I540-L543 PolarHBondContact O-N 3.21Å; I540-I544 HydrophobicContact CG2-CD1 3.88Å; I540-I544 WeakPolarHBondContact O-CG1 3.28Å; I540-I544 PolarHBondContact O-N 3.45Å
541V71.5Confident71.6Confident87 Ų8763 Ų6353%0.52735%0.353SS..Hα-helixtrans-70.7-39.5-178.3-176.70000110.8T538 E539 S545T538-V541 PolarHBondContact O-N 3.31Å; E539-V541 VanDerWaalsContact C-N 3.33Å; E539-V541 PolarHBondContact O-N 3.42Å; V541-S545 PolarHBondContact O-N 3.24Å; V541-S545 PolarHBondContact O-OG 3.46Å
542S74Confident71.9Confident58 Ų5861 Ų6141%0.40634%0.344SS..Hα-helixtrans-60.5-49.5171.9-162.90000111.3T538 E539 I544 S545 E546T538-S542 PolarHBondContact O-N 2.83Å; E539-S542 PolarHBondContact O-N 2.64Å; S542-I544 PolarHBondContact O-N 2.76Å; S542-S545 WeakPolarHBondContact O-CB 3.16Å; S542-S545 PolarHBondContact O-N 3.24Å; S542-S545 VanDerWaalsContact O-N 3.08Å; S542-E546 PolarHBondContact O-N 2.81Å
543L78Confident72Confident35 Ų3566.8 Ų66.818%0.18337%0.374CS..Hα-helixtrans-62-39.4-179.2-175.461.6000112.9I529 L532 P533 E539 I540 S545 E546 V547I529-L543 HydrophobicContact CD1-CD1 3.99Å; I529-L543 HydrophobicContact CD1-CD2 3.55Å; I529-L543 HydrophobicContact CD1-CG 3.79Å; L532-L543 HydrophobicContact CD2-CD2 4.13Å; P533-L543 HydrophobicContact CG-CD2 4.35Å; E539-L543 VanDerWaalsContact O-CB 3.24Å; E539-L543 WeakPolarHBondContact O-CB 3.36Å; E539-L543 PolarHBondContact O-N 2.92Å; I540-L543 PolarHBondContact O-N 3.21Å; L543-S545 VanDerWaalsContact C-N 3.31Å; L543-S545 PolarHBondContact O-N 3.47Å; L543-E546 PolarHBondContact O-N 2.84Å; L543-V547 WeakPolarHBondContact O-CG2 3.48Å; L543-V547 PolarHBondContact O-N 3.43Å
544I82Confident72.3Confident14 Ų1466.6 Ų66.67%0.07237%0.372CS..Hα-helixtrans-61.3-42.6173-71.2165.5000110.7L525 I540 S542 L548 L566 Y567L525-I544 HydrophobicContact CD1-CD1 4.27Å; L525-I544 HydrophobicContact CD1-CG1 3.68Å; I540-I544 HydrophobicContact CG2-CD1 3.88Å; I540-I544 WeakPolarHBondContact O-CG1 3.28Å; I540-I544 PolarHBondContact O-N 3.45Å; S542-I544 PolarHBondContact O-N 2.76Å; I544-L548 HydrophobicContact CG2-CD1 3.73Å; I544-L548 HydrophobicContact CG2-CG 4.32Å; I544-L548 WeakPolarHBondContact O-CB 3.13Å; I544-L548 VanDerWaalsContact O-CG 3.27Å; I544-L548 WeakPolarHBondContact O-CG 3.35Å; I544-L548 PolarHBondContact O-N 3.49Å; I544-L566 HydrophobicContact CD1-CD2 4.35Å; I544-L566 HydrophobicContact CG1-CD1 4.38Å; I544-L566 HydrophobicContact CG2-CD1 3.78Å; I544-Y567 HydrophobicContact CG2-CE2 3.74Å; I544-Y567 WeakPolarHBondContact CG2-OH 3.2Å
545S80.9Confident73.3Confident56 Ų5660.4 Ų60.439%0.39234%0.343SS..Hα-helixtrans-66.4-45.1-179.1-570000111.1V541 S542 L543 L548 D549V541-S545 PolarHBondContact O-N 3.24Å; V541-S545 PolarHBondContact O-OG 3.46Å; S542-S545 WeakPolarHBondContact O-CB 3.16Å; S542-S545 PolarHBondContact O-N 3.24Å; S542-S545 VanDerWaalsContact O-N 3.08Å; L543-S545 VanDerWaalsContact C-N 3.31Å; L543-S545 PolarHBondContact O-N 3.47Å; S545-L548 PolarHBondContact O-N 2.98Å; S545-D549 PolarHBondContact O-N 2.76Å
546E78.9Confident74.6Confident61 Ų6160.6 Ų60.629%0.28534%0.339SS..Hα-helixtrans-60.9-45.3175.9-72.8-171.817100112.8S542 L543 D549 G550S542-E546 PolarHBondContact O-N 2.81Å; L543-E546 PolarHBondContact O-N 2.84Å; E546-D549 PolarHBondContact O-N 3.36Å; E546-G550 PolarHBondContact O-N 3.27Å
547V81Confident76.1Confident11 Ų1156.6 Ų56.67%0.06732%0.318CS..Hα-helixtrans-64.8-42178172.60000111.1L423 L525 L528 I529 L543 G550 L551 L562L423-V547 HydrophobicContact CD2-CG1 4.44Å; L525-V547 HydrophobicContact CD2-CB 4.27Å; L525-V547 HydrophobicContact CD2-CG1 3.98Å; L525-V547 HydrophobicContact CD2-CG2 4.39Å; L528-V547 HydrophobicContact CD1-CG1 4.42Å; I529-V547 HydrophobicContact CG2-CG2 4.31Å; L543-V547 WeakPolarHBondContact O-CG2 3.48Å; L543-V547 PolarHBondContact O-N 3.43Å; V547-G550 PolarHBondContact O-N 2.7Å; V547-L551 HydrophobicContact CG1-CD1 3.98Å; V547-L551 VanDerWaalsContact O-CG 3.31Å; V547-L551 WeakPolarHBondContact O-CG 3.42Å; V547-L551 PolarHBondContact O-N 3.2Å; V547-L551 VanDerWaalsContact O-N 3.08Å; V547-L562 HydrophobicContact CG1-CD2 4.36Å
548L84.2Confident77.5Confident8 Ų855.2 Ų55.24%0.04231%0.309CS..Hα-helixtrans-69.6-36.1179-71.3175.9000112.9I544 S545 K552 R559 L562 Q563 Y567I544-L548 HydrophobicContact CG2-CD1 3.73Å; I544-L548 HydrophobicContact CG2-CG 4.32Å; I544-L548 WeakPolarHBondContact O-CB 3.13Å; I544-L548 VanDerWaalsContact O-CG 3.27Å; I544-L548 WeakPolarHBondContact O-CG 3.35Å; I544-L548 PolarHBondContact O-N 3.49Å; S545-L548 PolarHBondContact O-N 2.98Å; L548-K552 PolarHBondContact O-N 2.99Å; L548-R559 HydrophobicContact CB-CG 4.48Å; L548-R559 HydrophobicContact CD2-CG 3.91Å; L548-R559 WeakPolarHBondContact O-CD 3.35Å; L548-R559 WeakPolarHBondContact O-CG 3.24Å; L548-R559 PolarHBondContact O-NE 3.3Å; L548-L562 HydrophobicContact CD2-CB 4.22Å; L548-L562 HydrophobicContact CD2-CD2 4.18Å; L548-L562 HydrophobicContact CD2-CG 4.09Å; L548-Q563 HydrophobicContact CD1-CB 4.17Å; L548-Q563 HydrophobicContact CD1-CG 4.12Å; L548-Q563 HydrophobicContact CD2-CB 4.1Å; L548-Y567 HydrophobicContact CD1-CD2 4.44Å; L548-Y567 HydrophobicContact CD1-CE2 3.75Å
549D79.9Confident78.7Confident90 Ų9051.3 Ų51.348%0.48128%0.28SS..Hα-helixtrans-73.8-34.5173.5-85.5-30.9000111.9S545 E546 L551 K552S545-D549 PolarHBondContact O-N 2.76Å; E546-D549 PolarHBondContact O-N 3.36Å; D549-L551 VanDerWaalsContact C-N 3.33Å; D549-L551 PolarHBondContact O-N 3.21Å; D549-K552 WeakPolarHBondContact O-CB 3.49Å; D549-K552 PolarHBondContact O-N 2.76Å; D549-K552 WeakPolarHBondContact OD1-CD 3.4Å; D549-K552 IonicContact OD1-NZ 2.73Å; D549-K552 PolarHBondContact OD1-NZ 2.8Å
550G76.2Confident79.8Confident18 Ų1849.9 Ų49.919%0.18628%0.276CS..Hα-helixtrans-61.6-35.5173.500000114E546 V547E546-G550 PolarHBondContact O-N 3.27Å; V547-G550 PolarHBondContact O-N 2.7Å
551L81.5Confident80.7Confident0 Ų049.2 Ų49.20%027%0.272CS..Hα-helixtrans-80.2-11176.8-69.2170.6000114.2L423 I425 V547 D549 I553 T554 Q555 F558 R559 L562L423-L551 HydrophobicContact CD2-CD2 4.12Å; L423-L551 HydrophobicContact CD2-CG 4.35Å; I425-L551 HydrophobicContact CD1-CD2 3.73Å; I425-L551 HydrophobicContact CG1-CD2 4.44Å; V547-L551 HydrophobicContact CG1-CD1 3.98Å; V547-L551 VanDerWaalsContact O-CG 3.31Å; V547-L551 WeakPolarHBondContact O-CG 3.42Å; V547-L551 PolarHBondContact O-N 3.2Å; V547-L551 VanDerWaalsContact O-N 3.08Å; D549-L551 VanDerWaalsContact C-N 3.33Å; D549-L551 PolarHBondContact O-N 3.21Å; L551-I553 VanDerWaalsContact C-N 3.3Å; L551-I553 PolarHBondContact O-N 2.94Å; L551-T554 PolarHBondContact O-N 2.85Å; L551-Q555 HydrophobicContact CD2-CB 4.3Å; L551-Q555 CarbonylContact O-C 3.57Å; L551-Q555 PolarHBondContact O-N 2.85Å; L551-F558 HydrophobicContact CD1-CD1 4.01Å; L551-F558 HydrophobicContact CD1-CE1 3.95Å; L551-F558 HydrophobicContact CD2-CD1 4.2Å; L551-F558 HydrophobicContact CD2-CE1 4.46Å; L551-R559 HydrophobicContact CB-CB 3.91Å; L551-R559 HydrophobicContact CB-CG 4.29Å; L551-L562 HydrophobicContact CD1-CD2 4.15Å
552K77.7Confident81.6Confident120 Ų12045.1 Ų45.152%0.52225%0.247SC..Hα-helixtrans-65.2-28.4-170.4-167.7178.3-172170.30114.8L548 D549L548-K552 PolarHBondContact O-N 2.99Å; D549-K552 WeakPolarHBondContact O-CB 3.49Å; D549-K552 PolarHBondContact O-N 2.76Å; D549-K552 WeakPolarHBondContact OD1-CD 3.4Å; D549-K552 IonicContact OD1-NZ 2.73Å; D549-K552 PolarHBondContact OD1-NZ 2.8Å
553I72.4Confident82.2Confident154 Ų15445.4 Ų45.479%0.7924%0.242SC*.Hα-helixtrans-98.7-38.1179.6-58.6174.7000110.6L551L551-I553 VanDerWaalsContact C-N 3.3Å; L551-I553 PolarHBondContact O-N 2.94Å
554T72.6Confident82.6Confident39 Ų3944.7 Ų44.724%0.23924%0.239CC..Hα-helixtrans-85.3-40.4-172.350.50000113.9P422 L423 E424 L551P422-T554 HydrophobicContact CB-CG2 3.84Å; P422-T554 HydrophobicContact CG-CG2 4.5Å; L423-T554 PolarHBondContact O-OG1 2.77Å; E424-T554 HydrophobicContact CG-CG2 4.12Å; L551-T554 PolarHBondContact O-N 2.85Å
555Q81Confident82.8Confident41 Ų4144 Ų4419%0.19224%0.236CC..  trans-144.264.8-170.7-65.8-63.5-10.100111.6L430 L551 V557 F558 R559L430-Q555 VanDerWaalsContact CD2-CD 3.45Å; L430-Q555 HydrophobicContact CD2-CG 4.15Å; L430-Q555 VanDerWaalsContact CD2-OE1 3.3Å; L551-Q555 HydrophobicContact CD2-CB 4.3Å; L551-Q555 CarbonylContact O-C 3.57Å; L551-Q555 PolarHBondContact O-N 2.85Å; Q555-V557 PolarHBondContact O-N 2.64Å; Q555-F558 HydrophobicContact CB-CB 4.17Å; Q555-F558 PolarHBondContact O-N 2.94Å; Q555-R559 PolarHBondContact O-N 2.92Å
556P82.6Confident82.9Confident75 Ų7541.6 Ų41.649%0.48722%0.218SC..Hα-helixtrans-61.7-37-170.323.6-34.2000113.9R559 D560P556-R559 WeakPolarHBondContact O-CB 3.27Å; P556-R559 PolarHBondContact O-N 2.85Å; P556-D560 PolarHBondContact O-N 2.88Å
557V85.9Confident82.7Confident41 Ų4143.6 Ų43.625%0.24822%0.224CC..Hα-helixtrans-67.9-36.9178.7-179.90000111.7Q555 F561 Q585 F586Q555-V557 PolarHBondContact O-N 2.64Å; V557-F561 PolarHBondContact O-N 2.82Å; V557-Q585 HydrophobicContact CG1-CB 4.01Å; V557-Q585 HydrophobicContact CG1-CG 3.85Å; V557-F586 HydrophobicContact CG1-CB 4.04Å
558F88.8Confident81.8Confident1 Ų143.2 Ų43.20%0.00422%0.222CC..Hα-helixtrans-74.1-37.9175.6176.3-126.6000112I425 L430 L433 I437 I524 L528 L551 Q555 D560 F561 L562 F586I425-F558 HydrophobicContact CD1-CD1 4.27Å; I425-F558 HydrophobicContact CD1-CE1 3.96Å; L430-F558 HydrophobicContact CD1-CB 4.17Å; L430-F558 HydrophobicContact CD1-CD1 3.69Å; L430-F558 HydrophobicContact CD1-CD2 4.42Å; L430-F558 HydrophobicContact CD1-CE1 4.21Å; L430-F558 HydrophobicContact CD1-CG 3.82Å; L433-F558 HydrophobicContact CD2-CD2 4.45Å; L433-F558 HydrophobicContact CD2-CE1 3.98Å; L433-F558 HydrophobicContact CD2-CE2 3.5Å; L433-F558 HydrophobicContact CD2-CZ 3.22Å; I437-F558 HydrophobicContact CD1-CE2 4.27Å; I524-F558 HydrophobicContact CG2-CE2 4.05Å; I524-F558 HydrophobicContact CG2-CZ 3.69Å; L528-F558 HydrophobicContact CD1-CE1 3.93Å; L528-F558 HydrophobicContact CD1-CZ 3.99Å; L528-F558 HydrophobicContact CD2-CE1 4.27Å; L528-F558 HydrophobicContact CD2-CZ 4.48Å; L551-F558 HydrophobicContact CD1-CD1 4.01Å; L551-F558 HydrophobicContact CD1-CE1 3.95Å; L551-F558 HydrophobicContact CD2-CD1 4.2Å; L551-F558 HydrophobicContact CD2-CE1 4.46Å; Q555-F558 HydrophobicContact CB-CB 4.17Å; Q555-F558 PolarHBondContact O-N 2.94Å; F558-D560 VanDerWaalsContact C-N 3.3Å; F558-D560 PolarHBondContact O-N 2.92Å; F558-F561 PolarHBondContact O-N 3.45Å; F558-L562 HydrophobicContact CZ-CD2 4.47Å; F558-L562 WeakPolarHBondContact O-CB 3.45Å; F558-L562 PolarHBondContact O-N 2.84Å; F558-F586 HydrophobicContact CB-CD2 3.67Å; F558-F586 HydrophobicContact CB-CE2 3.62Å; F558-F586 HydrophobicContact CB-CZ 4.43Å; F558-F586 HydrophobicContact CD2-CD1 4.04Å; F558-F586 AromaticContact CD2-CD2 3.81Å; F558-F586 HydrophobicContact CD2-CD2 3.81Å; F558-F586 AromaticContact CD2-CE1 3.66Å; F558-F586 HydrophobicContact CD2-CE1 3.66Å; F558-F586 AromaticContact CD2-CE2 3.41Å; F558-F586 HydrophobicContact CD2-CE2 3.41Å; F558-F586 VanDerWaalsContact CD2-CE2 3.41Å; F558-F586 HydrophobicContact CD2-CG 4.12Å; F558-F586 AromaticContact CD2-CZ 3.33Å; F558-F586 HydrophobicContact CD2-CZ 3.33Å; F558-F586 HydrophobicContact CE2-CE1 4.03Å; F558-F586 HydrophobicContact CE2-CE2 4.38Å; F558-F586 AromaticContact CE2-CZ 3.88Å; F558-F586 HydrophobicContact CE2-CZ 3.88Å; F558-F586 HydrophobicContact CG-CD2 4.17Å; F558-F586 AromaticContact CG-CE2 3.76Å; F558-F586 HydrophobicContact CG-CE2 3.76Å; F558-F586 HydrophobicContact CG-CZ 4.09Å
559R88.5Confident80.2Confident46 Ų4648.5 Ų48.517%0.17425%0.251CS..Hα-helixtrans-55-46.8171.5-179.9-169.3176.5-68.5-14111.2L548 L551 Q555 P556 L562 Q563L548-R559 HydrophobicContact CB-CG 4.48Å; L548-R559 HydrophobicContact CD2-CG 3.91Å; L548-R559 WeakPolarHBondContact O-CD 3.35Å; L548-R559 WeakPolarHBondContact O-CG 3.24Å; L548-R559 PolarHBondContact O-NE 3.3Å; L551-R559 HydrophobicContact CB-CB 3.91Å; L551-R559 HydrophobicContact CB-CG 4.29Å; Q555-R559 PolarHBondContact O-N 2.92Å; P556-R559 WeakPolarHBondContact O-CB 3.27Å; P556-R559 PolarHBondContact O-N 2.85Å; R559-L562 PolarHBondContact O-N 3.13Å; R559-Q563 VanDerWaalsContact CZ-OE1 3.22Å; R559-Q563 VanDerWaalsContact O-CB 3.29Å; R559-Q563 WeakPolarHBondContact O-CB 3.29Å; R559-Q563 PolarHBondContact O-N 3.16Å
560D87.4Confident78.9Confident79 Ų7947.7 Ų47.742%0.42224%0.244SC..Hα-helixtrans-64.9-42-177.9-155.240.2000111.8P556 F558 Q563 T564 H584P556-D560 PolarHBondContact O-N 2.88Å; F558-D560 VanDerWaalsContact C-N 3.3Å; F558-D560 PolarHBondContact O-N 2.92Å; D560-Q563 PolarHBondContact O-N 2.85Å; D560-T564 WeakPolarHBondContact O-CB 3.19Å; D560-T564 PolarHBondContact O-N 3.09Å; D560-T564 PolarHBondContact O-OG1 3.16Å; D560-H584 IonicContact OD2-NE2 3.19Å
561F90.2Very high77.5Confident0 Ų053.3 Ų53.30%027%0.27CS..Hα-helixtrans-59.1-49.6172.2-177.5-93.8000112.4I437 V441 I524 V557 F558 Q563 T564 C565 I581 H584 F586 L587I437-F561 HydrophobicContact CD1-CE1 4.46Å; I437-F561 HydrophobicContact CG2-CE1 3.55Å; I437-F561 HydrophobicContact CG2-CZ 3.51Å; V441-F561 HydrophobicContact CG2-CZ 4.42Å; I524-F561 HydrophobicContact CD1-CD1 4.36Å; I524-F561 HydrophobicContact CD1-CE1 3.76Å; V557-F561 PolarHBondContact O-N 2.82Å; F558-F561 PolarHBondContact O-N 3.45Å; F561-Q563 PolarHBondContact O-N 3.24Å; F561-T564 WeakPolarHBondContact O-CB 3.38Å; F561-T564 PolarHBondContact O-N 2.95Å; F561-C565 PolarHBondContact O-N 3.4Å; F561-C565 PolarHBondContact O-SG 3.08Å; F561-C565 VanDerWaalsContact O-SG 3.38Å; F561-I581 HydrophobicContact CE2-CG2 3.73Å; F561-I581 HydrophobicContact CZ-CG2 4.08Å; F561-H584 HydrophobicContact CD2-CB 4.05Å; F561-H584 AromaticContact CD2-CG 3.78Å; F561-H584 AromaticContact CD2-ND1 3.53Å; F561-H584 HydrophobicContact CE2-CB 4.46Å; F561-H584 PolarHBondContact N-CE1 2.93Å; F561-F586 HydrophobicContact CB-CB 3.58Å; F561-F586 HydrophobicContact CB-CD1 3.99Å; F561-F586 HydrophobicContact CB-CG 3.89Å; F561-F586 AromaticContact CD1-CD1 3.63Å; F561-F586 HydrophobicContact CD1-CD1 3.63Å; F561-F586 HydrophobicContact CD1-CE1 4.2Å; F561-F586 HydrophobicContact CD1-CG 4.4Å; F561-F586 HydrophobicContact CD2-CB 3.93Å; F561-F586 AromaticContact CD2-CD1 3.96Å; F561-F586 HydrophobicContact CD2-CD1 3.96Å; F561-F586 HydrophobicContact CD2-CG 4.38Å; F561-F586 HydrophobicContact CE1-CD1 4.09Å; F561-F586 HydrophobicContact CE1-CE1 4.46Å; F561-F586 HydrophobicContact CE2-CD1 4.35Å; F561-F586 HydrophobicContact CG-CB 3.84Å; F561-F586 AromaticContact CG-CD1 3.57Å; F561-F586 HydrophobicContact CG-CD1 3.57Å; F561-F586 AromaticContact CG-CG 3.97Å; F561-F586 HydrophobicContact CG-CG 3.97Å; F561-F586 HydrophobicContact CZ-CD1 4.42Å; F561-L587 HydrophobicContact CE2-CD1 3.96Å; F561-L587 HydrophobicContact CE2-CD2 4.22Å; F561-L587 HydrophobicContact CE2-CG 3.85Å; F561-L587 HydrophobicContact CZ-CD1 4.34Å; F561-L587 HydrophobicContact CZ-CD2 4.28Å; F561-L587 HydrophobicContact CZ-CG 4.35Å
562L89.1Confident75.6Confident0 Ų059.5 Ų59.50%030%0.303CS..Hα-helixtrans-64.7-40.9179.8-17956000111.7I524 L525 L528 V547 L548 L551 F558 R559 T564 C565 L566I524-L562 HydrophobicContact CB-CD1 3.9Å; I524-L562 HydrophobicContact CD1-CD1 4.43Å; I524-L562 HydrophobicContact CG2-CD1 3.74Å; I524-L562 HydrophobicContact CG2-CD2 4.47Å; L525-L562 HydrophobicContact CD2-CD2 4.22Å; L525-L562 HydrophobicContact CG-CD1 4.45Å; L528-L562 HydrophobicContact CD1-CD2 4.12Å; V547-L562 HydrophobicContact CG1-CD2 4.36Å; L548-L562 HydrophobicContact CD2-CB 4.22Å; L548-L562 HydrophobicContact CD2-CD2 4.18Å; L548-L562 HydrophobicContact CD2-CG 4.09Å; L551-L562 HydrophobicContact CD1-CD2 4.15Å; F558-L562 HydrophobicContact CZ-CD2 4.47Å; F558-L562 WeakPolarHBondContact O-CB 3.45Å; F558-L562 PolarHBondContact O-N 2.84Å; R559-L562 PolarHBondContact O-N 3.13Å; L562-T564 VanDerWaalsContact C-N 3.3Å; L562-T564 PolarHBondContact O-N 2.93Å; L562-C565 PolarHBondContact O-N 2.7Å; L562-L566 HydrophobicContact CD1-CD1 3.91Å; L562-L566 HydrophobicContact CD1-CG 4.29Å; L562-L566 HydrophobicContact CG-CD1 3.96Å; L562-L566 WeakPolarHBondContact O-CD1 3.38Å; L562-L566 VanDerWaalsContact O-CG 3.31Å; L562-L566 WeakPolarHBondContact O-CG 3.21Å; L562-L566 PolarHBondContact O-N 3.5Å; L562-L566 VanDerWaalsContact O-N 3.13Å
563Q87.8Confident73.9Confident65 Ų6563 Ų6330%0.30432%0.32SS..Hα-helixtrans-62-39.9174.2-169.1-179.1-42.600111L548 R559 D560 F561 L566 Y567L548-Q563 HydrophobicContact CD1-CB 4.17Å; L548-Q563 HydrophobicContact CD1-CG 4.12Å; L548-Q563 HydrophobicContact CD2-CB 4.1Å; R559-Q563 VanDerWaalsContact CZ-OE1 3.22Å; R559-Q563 VanDerWaalsContact O-CB 3.29Å; R559-Q563 WeakPolarHBondContact O-CB 3.29Å; R559-Q563 PolarHBondContact O-N 3.16Å; D560-Q563 PolarHBondContact O-N 2.85Å; F561-Q563 PolarHBondContact O-N 3.24Å; Q563-L566 PolarHBondContact O-N 2.96Å; Q563-Y567 HydrophobicContact CG-CD2 3.78Å; Q563-Y567 HydrophobicContact CG-CE2 4.42Å; Q563-Y567 WeakPolarHBondContact O-CB 3.38Å; Q563-Y567 PolarHBondContact O-N 3.4Å
564T86Confident72.3Confident20 Ų2061.5 Ų61.512%0.12332%0.319CS..Hα-helixtrans-62.9-49.8176.3-61.10000111.5D560 F561 L562 L566 A568 Y580 I581D560-T564 WeakPolarHBondContact O-CB 3.19Å; D560-T564 PolarHBondContact O-N 3.09Å; D560-T564 PolarHBondContact O-OG1 3.16Å; F561-T564 WeakPolarHBondContact O-CB 3.38Å; F561-T564 PolarHBondContact O-N 2.95Å; L562-T564 VanDerWaalsContact C-N 3.3Å; L562-T564 PolarHBondContact O-N 2.93Å; T564-L566 VanDerWaalsContact C-N 3.32Å; T564-L566 PolarHBondContact O-N 2.51Å; T564-A568 WeakPolarHBondContact O-CB 3.29Å; T564-A568 PolarHBondContact O-N 3.5Å; T564-A568 VanDerWaalsContact O-N 3.1Å; T564-Y580 HydrophobicContact CG2-CD1 4.44Å; T564-Y580 HydrophobicContact CG2-CE1 4.03Å; T564-I581 HydrophobicContact CG2-CD1 4.23Å; T564-I581 HydrophobicContact CG2-CG1 4.07Å
565C85.7Confident71Confident0 Ų064.7 Ų64.70%034%0.339CS..Hα-helixtrans-56.7-43.3177-650000112.5L517 H518 F561 L562L517-C565 CarbonylContact C-O 3.6Å; L517-C565 VanDerWaalsContact O-O 3.13Å; H518-C565 WeakPolarHBondContact CA-O 3.27Å; H518-C565 PolarHBondContact N-O 2.97Å; F561-C565 PolarHBondContact O-N 3.4Å; F561-C565 PolarHBondContact O-SG 3.08Å; F561-C565 VanDerWaalsContact O-SG 3.38Å; L562-C565 PolarHBondContact O-N 2.7Å
566L82.7Confident70Confident4 Ų464.6 Ų64.62%0.02134%0.342CS..Hα-helixtrans-74.6-49.6-177.8-66.7165.2000112.5R510 H518 L522 L525 I544 L562 Q563 T564R510-L566 PolarHBondContact NH1-O 3.25Å; R510-L566 PolarHBondContact NH2-O 2.85Å; H518-L566 PolarHBondContact CD2-O 2.83Å; L522-L566 HydrophobicContact CD2-CD2 4.25Å; L525-L566 HydrophobicContact CD1-CD1 3.98Å; L525-L566 HydrophobicContact CD1-CD2 3.88Å; I544-L566 HydrophobicContact CD1-CD2 4.35Å; I544-L566 HydrophobicContact CG1-CD1 4.38Å; I544-L566 HydrophobicContact CG2-CD1 3.78Å; L562-L566 HydrophobicContact CD1-CD1 3.91Å; L562-L566 HydrophobicContact CD1-CG 4.29Å; L562-L566 HydrophobicContact CG-CD1 3.96Å; L562-L566 WeakPolarHBondContact O-CD1 3.38Å; L562-L566 VanDerWaalsContact O-CG 3.31Å; L562-L566 WeakPolarHBondContact O-CG 3.21Å; L562-L566 PolarHBondContact O-N 3.5Å; L562-L566 VanDerWaalsContact O-N 3.13Å; Q563-L566 PolarHBondContact O-N 2.96Å; T564-L566 VanDerWaalsContact C-N 3.32Å; T564-L566 PolarHBondContact O-N 2.51Å
567Y75.7Confident69Low103 Ų10361.8 Ų61.840%0.40432%0.324SS..Hα-helixtrans-102.58.1-166.2-64.8-75.6000115.5I544 L548 Q563 N569I544-Y567 HydrophobicContact CG2-CE2 3.74Å; I544-Y567 WeakPolarHBondContact CG2-OH 3.2Å; L548-Y567 HydrophobicContact CD1-CD2 4.44Å; L548-Y567 HydrophobicContact CD1-CE2 3.75Å; Q563-Y567 HydrophobicContact CG-CD2 3.78Å; Q563-Y567 HydrophobicContact CG-CE2 4.42Å; Q563-Y567 WeakPolarHBondContact O-CB 3.38Å; Q563-Y567 PolarHBondContact O-N 3.4Å; Y567-N569 PolarHBondContact O-N 2.84Å
568A61.3Low68.1Low4 Ų459.9 Ų59.93%0.03331%0.312CS..  trans-42.9100.3178.700000114.1T564T564-A568 WeakPolarHBondContact O-CB 3.29Å; T564-A568 PolarHBondContact O-N 3.5Å; T564-A568 VanDerWaalsContact O-N 3.1Å
569N52.5Low67.1Low119 Ų11963.5 Ų63.564%0.63633%0.331SS*.  trans-121.561.6173.2-90.99.8000108.2Y567 N571Y567-N569 PolarHBondContact O-N 2.84Å; N569-N571 PolarHBondContact O-N 2.81Å
570H51.2Low66.3Low72 Ų7266.6 Ų66.633%0.33334%0.344SS..  trans-79.5103.9174.4-67.7-80.5000109.5D572 Y580H570-D572 VanDerWaalsContact C-N 3.29Å; H570-Y580 AromaticContact CE1-CD1 3.96Å; H570-Y580 AromaticContact CE1-CE1 3.76Å; H570-Y580 AromaticContact NE2-CD1 3.88Å; H570-Y580 AromaticContact NE2-CE1 3.85Å
571N47.7Very low65.8Low137 Ų13762.8 Ų62.873%0.73332%0.324SS*.  trans-83.5-2.8172.8-74.4-22.2000112.9N569N569-N571 PolarHBondContact O-N 2.81Å
572D40.9Very low65.2Low130 Ų13064.8 Ų64.870%0.69533%0.334SS*.  trans-94.6112.7-177.3-65.6-45.2000111.3H570 T574H570-D572 VanDerWaalsContact C-N 3.29Å; D572-T574 PolarHBondContact O-N 2.84Å
573H41.5Very low64.6Low192 Ų19268.3 Ų68.389%0.88936%0.358SS*.THydrogen-bonded Turntrans-77.723.9-166.7-69.2-73.8000116.1
574T39.3Very low64.5Low124 Ų12466 Ų6676%0.76135%0.347SS*.THydrogen-bonded Turntrans-118.50.6-160.752.30000117.3D572D572-T574 PolarHBondContact O-N 2.84Å
575T45.9Very low64.4Low106 Ų10670.4 Ų70.465%0.6537%0.366SS*.SBendtrans-152148.8174.1-20.30000110.1V577T575-V577 PolarHBondContact O-N 3.3Å
576S59.7Low64.4Low39 Ų3970.4 Ų70.427%0.27337%0.366SS..  trans-68.4135174.4110.50000109.5V578 D579S576-V578 PolarHBondContact O-N 3.3Å; S576-V578 VanDerWaalsContact O-N 3.13Å; S576-D579 WeakPolarHBondContact CB-OD2 3.31Å; S576-D579 PolarHBondContact O-N 3.18Å; S576-D579 VanDerWaalsContact O-N 3.12Å; S576-D579 VanDerWaalsContact OG-CG 3.29Å; S576-D579 PolarHBondContact OG-OD2 2.74Å
577V62.6Low64.4Low16 Ų1670.6 Ų70.610%0.09737%0.368CS..Hα-helixtrans-64.6-21.8-173-171.70000111.6Q514 L517 T575 I581Q514-V577 HydrophobicContact CG-CG2 4.08Å; L517-V577 HydrophobicContact CD1-CB 3.99Å; L517-V577 HydrophobicContact CD1-CG1 3.62Å; T575-V577 PolarHBondContact O-N 3.3Å; V577-I581 PolarHBondContact O-N 3.48Å
578V65.7Low64.3Low0 Ų072 Ų720%038%0.377CS..Hα-helixtrans-78.1-32.3177.7-170.50000112.2V441 S445 H448 L517 S576 Y580 I581 M582V441-V578 HydrophobicContact CG1-CG1 4.28Å; S445-V578 VanDerWaalsContact CB-CG1 3.49Å; H448-V578 VanDerWaalsContact ND1-CG2 3.26Å; H448-V578 WeakPolarHBondContact ND1-CG2 3.35Å; L517-V578 HydrophobicContact CD1-CG2 4.09Å; L517-V578 HydrophobicContact CD2-CG2 4.35Å; L517-V578 HydrophobicContact CG-CG2 4.41Å; S576-V578 PolarHBondContact O-N 3.3Å; S576-V578 VanDerWaalsContact O-N 3.13Å; V578-Y580 VanDerWaalsContact C-N 3.27Å; V578-Y580 PolarHBondContact O-N 2.75Å; V578-I581 PolarHBondContact O-N 3.12Å; V578-I581 VanDerWaalsContact O-N 3.15Å; V578-M582 WeakPolarHBondContact O-CB 3.44Å; V578-M582 PolarHBondContact O-N 3.2Å
579D67.1Low64.5Low77 Ų7774.4 Ų74.441%0.41239%0.39SS..Hα-helixtrans-63.9-36.9174.5-56.7-55.9000111.2S576 M582 S583S576-D579 WeakPolarHBondContact CB-OD2 3.31Å; S576-D579 PolarHBondContact O-N 3.18Å; S576-D579 VanDerWaalsContact O-N 3.12Å; S576-D579 VanDerWaalsContact OG-CG 3.29Å; S576-D579 PolarHBondContact OG-OD2 2.74Å; D579-M582 PolarHBondContact O-N 2.72Å; D579-S583 WeakPolarHBondContact O-CB 3.31Å; D579-S583 PolarHBondContact O-N 3.09Å; D579-S583 PolarHBondContact O-OG 3.48Å
580Y72.1Confident64.3Low111 Ų11173.8 Ų73.844%0.43540%0.395SS..Hα-helixtrans-65.3-38.8173.2179.5-111.5000112.5T564 H570 V578 S583 H584T564-Y580 HydrophobicContact CG2-CD1 4.44Å; T564-Y580 HydrophobicContact CG2-CE1 4.03Å; H570-Y580 AromaticContact CE1-CD1 3.96Å; H570-Y580 AromaticContact CE1-CE1 3.76Å; H570-Y580 AromaticContact NE2-CD1 3.88Å; H570-Y580 AromaticContact NE2-CE1 3.85Å; V578-Y580 VanDerWaalsContact C-N 3.27Å; V578-Y580 PolarHBondContact O-N 2.75Å; Y580-S583 WeakPolarHBondContact CA-OG 3.36Å; Y580-S583 PolarHBondContact O-OG 3.14Å; Y580-H584 PolarHBondContact O-N 2.95Å
581I77.8Confident64.3Low0 Ų072.1 Ų72.10%039%0.388CS..Hα-helixtrans-75.2-33.3177.4-74.4177.3000111.9V441 L517 F561 T564 V577 V578 H584 L587V441-I581 HydrophobicContact CG1-CG2 4.12Å; V441-I581 HydrophobicContact CG2-CG2 4.34Å; L517-I581 HydrophobicContact CB-CD1 4.37Å; L517-I581 HydrophobicContact CD1-CD1 3.61Å; L517-I581 HydrophobicContact CD2-CD1 3.58Å; L517-I581 HydrophobicContact CD2-CG2 4.47Å; L517-I581 HydrophobicContact CG-CD1 4.03Å; F561-I581 HydrophobicContact CE2-CG2 3.73Å; F561-I581 HydrophobicContact CZ-CG2 4.08Å; T564-I581 HydrophobicContact CG2-CD1 4.23Å; T564-I581 HydrophobicContact CG2-CG1 4.07Å; V577-I581 PolarHBondContact O-N 3.48Å; V578-I581 PolarHBondContact O-N 3.12Å; V578-I581 VanDerWaalsContact O-N 3.15Å; I581-H584 WeakPolarHBondContact O-CB 3.34Å; I581-H584 PolarHBondContact O-N 3.19Å; I581-L587 WeakPolarHBondContact O-CD1 3.28Å
582M77.6Confident63.8Low42 Ų4268 Ų6821%0.20737%0.369CS..Hα-helixtrans-63.1-45.8171.1-94.6-59.2-161.800111.9V441 V578 D579 H584 L587 H588V441-M582 HydrophobicContact CB-CE 4.47Å; V441-M582 HydrophobicContact CG1-CE 3.98Å; V441-M582 HydrophobicContact CG1-CG 3.86Å; V441-M582 HydrophobicContact CG1-SD 3.8Å; V578-M582 WeakPolarHBondContact O-CB 3.44Å; V578-M582 PolarHBondContact O-N 3.2Å; D579-M582 PolarHBondContact O-N 2.72Å; M582-H584 PolarHBondContact O-N 3.31Å; M582-L587 HydrophobicContact SD-CD1 4.2Å; M582-H588 PolarHBondContact O-CD2 3.16Å; M582-H588 PolarHBondContact O-NE2 2.81Å
583S76.7Confident63.5Low74 Ų7466.4 Ų66.452%0.51737%0.367SS..THydrogen-bonded Turntrans-73.9-217752.60000114.3D579 Y580D579-S583 WeakPolarHBondContact O-CB 3.31Å; D579-S583 PolarHBondContact O-N 3.09Å; D579-S583 PolarHBondContact O-OG 3.48Å; Y580-S583 WeakPolarHBondContact CA-OG 3.36Å; Y580-S583 PolarHBondContact O-OG 3.14Å
584H85Confident63.1Low16 Ų1659.1 Ų59.17%0.07433%0.334CS..SBendtrans-65.7139.2179.9-169.2-81.5000112D560 F561 Y580 I581 M582 F586 L587 H588D560-H584 IonicContact OD2-NE2 3.19Å; F561-H584 HydrophobicContact CD2-CB 4.05Å; F561-H584 AromaticContact CD2-CG 3.78Å; F561-H584 AromaticContact CD2-ND1 3.53Å; F561-H584 HydrophobicContact CE2-CB 4.46Å; F561-H584 PolarHBondContact N-CE1 2.93Å; Y580-H584 PolarHBondContact O-N 2.95Å; I581-H584 WeakPolarHBondContact O-CB 3.34Å; I581-H584 PolarHBondContact O-N 3.19Å; M582-H584 PolarHBondContact O-N 3.31Å; H584-F586 VanDerWaalsContact C-N 3.27Å; H584-F586 PolarHBondContact ND1-N 3.44Å; H584-F586 VanDerWaalsContact ND1-N 3.17Å; H584-F586 PolarHBondContact O-N 3.39Å; H584-F586 VanDerWaalsContact O-N 3.12Å; H584-L587 PolarHBondContact O-N 3.11Å; H584-H588 PolarHBondContact O-N 2.65Å
585Q83.1Confident62.8Low112 Ų11255.2 Ų55.252%0.52331%0.307SS..Hα-helixtrans-53.1-40.1-174.9-176.4177.5-7.100113.3V557 L587 H588 D589V557-Q585 HydrophobicContact CG1-CB 4.01Å; V557-Q585 HydrophobicContact CG1-CG 3.85Å; Q585-L587 PolarHBondContact O-N 2.71Å; Q585-L587 VanDerWaalsContact O-N 3.08Å; Q585-H588 CarbonylContact O-C 3.56Å; Q585-H588 PolarHBondContact O-N 2.88Å; Q585-D589 WeakPolarHBondContact CG-OD1 3.36Å; Q585-D589 PolarHBondContact NE2-OD1 3.41Å; Q585-D589 PolarHBondContact O-N 3.34Å
586F86.8Confident62.1Low0 Ų055.6 Ų55.60%031%0.305CS..Hα-helixtrans-58.2-18.1175.4-176.1-103.3000115.7L430 R434 I437 V557 F558 F561 H584L430-F586 HydrophobicContact CD1-CE2 4.17Å; L430-F586 HydrophobicContact CD1-CZ 4.45Å; L430-F586 HydrophobicContact CG-CE2 4.28Å; R434-F586 HydrophobicContact CB-CE1 4.18Å; R434-F586 HydrophobicContact CB-CE2 4.45Å; R434-F586 HydrophobicContact CB-CZ 3.79Å; R434-F586 VanDerWaalsContact CD-O 3.26Å; R434-F586 WeakPolarHBondContact CD-O 3.35Å; R434-F586 HydrophobicContact CG-CE1 4.17Å; R434-F586 HydrophobicContact CG-CZ 4.09Å; R434-F586 WeakPolarHBondContact CG-O 2.89Å; R434-F586 PolarHBondContact NE-O 2.76Å; R434-F586 PolarHBondContact NH1-O 3.19Å; I437-F586 HydrophobicContact CD1-CE1 3.97Å; V557-F586 HydrophobicContact CG1-CB 4.04Å; F558-F586 HydrophobicContact CB-CD2 3.67Å; F558-F586 HydrophobicContact CB-CE2 3.62Å; F558-F586 HydrophobicContact CB-CZ 4.43Å; F558-F586 HydrophobicContact CD2-CD1 4.04Å; F558-F586 AromaticContact CD2-CD2 3.81Å; F558-F586 HydrophobicContact CD2-CD2 3.81Å; F558-F586 AromaticContact CD2-CE1 3.66Å; F558-F586 HydrophobicContact CD2-CE1 3.66Å; F558-F586 AromaticContact CD2-CE2 3.41Å; F558-F586 HydrophobicContact CD2-CE2 3.41Å; F558-F586 VanDerWaalsContact CD2-CE2 3.41Å; F558-F586 HydrophobicContact CD2-CG 4.12Å; F558-F586 AromaticContact CD2-CZ 3.33Å; F558-F586 HydrophobicContact CD2-CZ 3.33Å; F558-F586 HydrophobicContact CE2-CE1 4.03Å; F558-F586 HydrophobicContact CE2-CE2 4.38Å; F558-F586 AromaticContact CE2-CZ 3.88Å; F558-F586 HydrophobicContact CE2-CZ 3.88Å; F558-F586 HydrophobicContact CG-CD2 4.17Å; F558-F586 AromaticContact CG-CE2 3.76Å; F558-F586 HydrophobicContact CG-CE2 3.76Å; F558-F586 HydrophobicContact CG-CZ 4.09Å; F561-F586 HydrophobicContact CB-CB 3.58Å; F561-F586 HydrophobicContact CB-CD1 3.99Å; F561-F586 HydrophobicContact CB-CG 3.89Å; F561-F586 AromaticContact CD1-CD1 3.63Å; F561-F586 HydrophobicContact CD1-CD1 3.63Å; F561-F586 HydrophobicContact CD1-CE1 4.2Å; F561-F586 HydrophobicContact CD1-CG 4.4Å; F561-F586 HydrophobicContact CD2-CB 3.93Å; F561-F586 AromaticContact CD2-CD1 3.96Å; F561-F586 HydrophobicContact CD2-CD1 3.96Å; F561-F586 HydrophobicContact CD2-CG 4.38Å; F561-F586 HydrophobicContact CE1-CD1 4.09Å; F561-F586 HydrophobicContact CE1-CE1 4.46Å; F561-F586 HydrophobicContact CE2-CD1 4.35Å; F561-F586 HydrophobicContact CG-CB 3.84Å; F561-F586 AromaticContact CG-CD1 3.57Å; F561-F586 HydrophobicContact CG-CD1 3.57Å; F561-F586 AromaticContact CG-CG 3.97Å; F561-F586 HydrophobicContact CG-CG 3.97Å; F561-F586 HydrophobicContact CZ-CD1 4.42Å; H584-F586 VanDerWaalsContact C-N 3.27Å; H584-F586 PolarHBondContact ND1-N 3.44Å; H584-F586 VanDerWaalsContact ND1-N 3.17Å; H584-F586 PolarHBondContact O-N 3.39Å; H584-F586 VanDerWaalsContact O-N 3.12Å
587L82.8Confident60.6Low9 Ų953.8 Ų53.85%0.04729%0.292CS..Hα-helixtrans-97.2-27.1169.9-60.6-175.1000112I437 H438 V441 F561 I581 M582 H584 Q585I437-L587 HydrophobicContact CG2-CD2 4.05Å; H438-L587 HydrophobicContact CB-CD2 4.28Å; V441-L587 HydrophobicContact CB-CD1 4.26Å; V441-L587 HydrophobicContact CG1-CD1 4.09Å; V441-L587 HydrophobicContact CG2-CD1 4.28Å; F561-L587 HydrophobicContact CE2-CD1 3.96Å; F561-L587 HydrophobicContact CE2-CD2 4.22Å; F561-L587 HydrophobicContact CE2-CG 3.85Å; F561-L587 HydrophobicContact CZ-CD1 4.34Å; F561-L587 HydrophobicContact CZ-CD2 4.28Å; F561-L587 HydrophobicContact CZ-CG 4.35Å; I581-L587 WeakPolarHBondContact O-CD1 3.28Å; M582-L587 HydrophobicContact SD-CD1 4.2Å; H584-L587 PolarHBondContact O-N 3.11Å; Q585-L587 PolarHBondContact O-N 2.71Å; Q585-L587 VanDerWaalsContact O-N 3.08Å
588H73.7Confident58.9Low131 Ų13154 Ų5461%0.60629%0.293SS*.Hα-helixtrans-94.2-21.9-175.8-86.2-74.7000117.3M582 H584 Q585 S590M582-H588 PolarHBondContact O-CD2 3.16Å; M582-H588 PolarHBondContact O-NE2 2.81Å; H584-H588 PolarHBondContact O-N 2.65Å; Q585-H588 CarbonylContact O-C 3.56Å; Q585-H588 PolarHBondContact O-N 2.88Å; H588-S590 PolarHBondContact O-N 2.9Å
589D64.9Low57.4Low55 Ų5556.4 Ų56.429%0.29430%0.304SS..SBendtrans-59.1130168.8-32.4-81.2000106.9R434 Q585 I591R434-D589 IonicContact CZ-OD2 2.78Å; R434-D589 VanDerWaalsContact CZ-OD2 3.31Å; R434-D589 PolarHBondContact NH1-O 3.21Å; R434-D589 IonicContact NH1-OD2 3.81Å; R434-D589 PolarHBondContact NH1-OD2 3.39Å; R434-D589 IonicContact NH2-OD2 3.27Å; R434-D589 PolarHBondContact NH2-OD2 3.39Å; Q585-D589 WeakPolarHBondContact CG-OD1 3.36Å; Q585-D589 PolarHBondContact NE2-OD1 3.41Å; Q585-D589 PolarHBondContact O-N 3.34Å; D589-I591 PolarHBondContact O-N 2.98Å
590S48.8Very low55.4Low107 Ų10754.2 Ų54.275%0.74829%0.294SS*.  trans-49.398-16054.10000112.7H588 P592H588-S590 PolarHBondContact O-N 2.9Å; S590-P592 WeakPolarHBondContact O-CD 3.39Å
591I49.6Very low53.2Low36 Ų3650.4 Ų50.419%0.18528%0.281CS..  trans-54.1112.1154.7-59.2173.7000103.4R434 H438 D589 C593 F595R434-I591 HydrophobicContact CG-CD1 4.24Å; R434-I591 HydrophobicContact CG-CG1 4.11Å; H438-I591 HydrophobicContact CB-CD1 4.29Å; D589-I591 PolarHBondContact O-N 2.98Å; I591-C593 PolarHBondContact O-N 3.34Å; I591-F595 HydrophobicContact CG2-CB 4.42Å
592P37.4Very low50.7Low50 Ų5055.9 Ų55.933%0.32531%0.305SS..  trans-57.9138.9-177.3-22.433.7000107.1M431 S590 N594 F595M431-P592 HydrophobicContact SD-CG 4.11Å; S590-P592 WeakPolarHBondContact O-CD 3.39Å; P592-N594 HydrophobicContact CB-CB 4.17Å; P592-N594 PolarHBondContact O-N 3.15Å; P592-F595 VanDerWaalsContact O-CA 3.24Å; P592-F595 WeakPolarHBondContact O-CA 3.46Å; P592-F595 PolarHBondContact O-N 2.94Å
593C35.2Very low48.4Very low98 Ų9858.3 Ų58.366%0.66232%0.318SS*.THydrogen-bonded Turntrans-63.2-9.9178.1-53.50000112.2I591 F595 S597I591-C593 PolarHBondContact O-N 3.34Å; C593-F595 PolarHBondContact O-N 2.78Å; C593-S597 PolarHBondContact O-N 2.87Å; C593-S597 VanDerWaalsContact O-N 3.16Å
594N32.9Very low46.1Very low38 Ų3861.2 Ų61.220%0.20332%0.323CS..Hα-helixtrans-66.2-14165.6-43.621.2000113.6P592 S597 T633 K635P592-N594 HydrophobicContact CB-CB 4.17Å; P592-N594 PolarHBondContact O-N 3.15Å; N594-S597 WeakPolarHBondContact O-CA 3.42Å; N594-T633 PolarHBondContact ND2-OG1 3.44Å; N594-K635 HydrophobicContact CB-CG 3.74Å; N594-K635 VanDerWaalsContact CG-CE 3.45Å; N594-K635 VanDerWaalsContact CG-CG 3.47Å; N594-K635 WeakPolarHBondContact OD1-CE 3.43Å
595F32.9Very low43.6Very low43 Ų4364.8 Ų64.819%0.18934%0.342CS..Hα-helixtrans-54.1-86.9166.2-88.9-94.6000116.2M431 Y435 I591 P592 C593 S597 T598 I603M431-F595 HydrophobicContact CE-CD2 3.71Å; M431-F595 HydrophobicContact CE-CE2 3.62Å; M431-F595 HydrophobicContact CE-CZ 4.38Å; M431-F595 HydrophobicContact SD-CD2 4.31Å; Y435-F595 HydrophobicContact CD1-CD1 4.45Å; Y435-F595 HydrophobicContact CG-CD1 4.44Å; I591-F595 HydrophobicContact CG2-CB 4.42Å; P592-F595 VanDerWaalsContact O-CA 3.24Å; P592-F595 WeakPolarHBondContact O-CA 3.46Å; P592-F595 PolarHBondContact O-N 2.94Å; C593-F595 PolarHBondContact O-N 2.78Å; F595-S597 CarbonylContact O-C 3.57Å; F595-S597 WeakPolarHBondContact O-CA 3.22Å; F595-S597 PolarHBondContact O-N 3.32Å; F595-S597 VanDerWaalsContact O-N 3.13Å; F595-T598 PolarHBondContact O-N 3.37Å; F595-T598 VanDerWaalsContact O-N 3.1Å; F595-I603 HydrophobicContact CZ-CD1 3.93Å
596L31.2Very low41Very low114 Ų11462.8 Ų62.860%0.59734%0.335SS*.Hα-helixtrans-51.7-27166.5-74.4154.5000112.1Y435Y435-L596 HydrophobicContact CE2-CD2 3.78Å; Y435-L596 HydrophobicContact CE2-CG 4Å
597S29Very low38.3Very low1 Ų167.3 Ų67.31%0.00736%0.359CS..Hα-helixtrans-10.8-100.6141.6137.40000115.1C593 N594 F595 K599 C636 E641C593-S597 PolarHBondContact O-N 2.87Å; C593-S597 VanDerWaalsContact O-N 3.16Å; N594-S597 WeakPolarHBondContact O-CA 3.42Å; F595-S597 CarbonylContact O-C 3.57Å; F595-S597 WeakPolarHBondContact O-CA 3.22Å; F595-S597 PolarHBondContact O-N 3.32Å; F595-S597 VanDerWaalsContact O-N 3.13Å; S597-K599 PolarHBondContact O-N 3.21Å; S597-C636 VanDerWaalsContact C-CB 3.4Å; S597-C636 WeakPolarHBondContact O-CB 3.39Å; S597-C636 PolarHBondContact O-SG 2.86Å; S597-C636 WeakPolarHBondContact OG-CB 3.04Å; S597-C636 PolarHBondContact OG-N 3.41Å; S597-E641 WeakPolarHBondContact CB-OE2 3.46Å; S597-E641 PolarHBondContact OG-OE2 3.34Å
598T26.9Very low35.8Very low19 Ų1971.2 Ų71.212%0.11739%0.387CS..  trans-81.383.9-142.844.30000116.6F595 S634 C636F595-T598 PolarHBondContact O-N 3.37Å; F595-T598 VanDerWaalsContact O-N 3.1Å; T598-S634 VanDerWaalsContact CG2-O 3.22Å; T598-S634 WeakPolarHBondContact CG2-O 3.33Å; T598-C636 HydrophobicContact CG2-CB 4.37Å
599K35Very low33.6Very low52 Ų5267.7 Ų67.723%0.22638%0.381CS..SBendtrans-123.517.8173.3-61.8-161.8171.5-160.70117.9Y435 S467 H469 S597 C636Y435-K599 WeakPolarHBondContact OH-CE 3.26Å; Y435-K599 PolarHBondContact OH-NZ 3.11Å; S467-K599 WeakPolarHBondContact O-CE 3.23Å; S467-K599 PolarHBondContact O-NZ 2.87Å; S467-K599 WeakPolarHBondContact OG-CD 3.34Å; S467-K599 VanDerWaalsContact OG-CE 3.27Å; S467-K599 WeakPolarHBondContact OG-CE 3.31Å; S467-K599 PolarHBondContact OG-NZ 3.38Å; H469-K599 VanDerWaalsContact CA-NZ 3.3Å; H469-K599 VanDerWaalsContact CB-NZ 3.27Å; S597-K599 PolarHBondContact O-N 3.21Å; K599-C636 PolarHBondContact N-SG 3.25Å
600S23.7Very low31.8Very low31 Ų3170.6 Ų70.622%0.21739%0.394CS..SBendtrans-153.272.1137155.90000110.6C636 F640S600-C636 PolarHBondContact N-SG 3.3Å; S600-F640 VanDerWaalsContact CB-CE2 3.42Å
601N25.4Very low30.7Very low30 Ų3071 Ų7116%0.1639%0.392CS..SBend-115.6141.1118.6-88.7-37.9000107.2I603 S634 T711N601-I603 VanDerWaalsContact C-N 3.35Å; N601-I603 PolarHBondContact O-N 2.83Å; N601-S634 PolarHBondContact ND2-OG 2.75Å; N601-T711 WeakPolarHBondContact OD1-CB 3.47Å; N601-T711 WeakPolarHBondContact OD1-CG2 3.32Å; N601-T711 PolarHBondContact OD1-OG1 2.88Å
602K27Very low29.5Very low115 Ų11579.7 Ų79.750%0.542%0.423SS..  trans-59.4100.8166.1-66.2168.2-178.51610107.7E604 E712K602-E604 HydrophobicContact CB-CG 4.21Å; K602-E604 PolarHBondContact O-N 2.91Å; K602-E604 VanDerWaalsContact O-N 3.08Å; K602-E712 IonicContact NZ-OE1 2.74Å
603I28.3Very low29Very low93 Ų9383.8 Ų83.848%0.47745%0.447SS..  trans-69.797.8144.3-55.2-178.2000103.6F595 N601 L605F595-I603 HydrophobicContact CZ-CD1 3.93Å; N601-I603 VanDerWaalsContact C-N 3.35Å; N601-I603 PolarHBondContact O-N 2.83Å; I603-L605 HydrophobicContact CG2-CD1 4.38Å; I603-L605 HydrophobicContact CG2-CG 3.87Å; I603-L605 PolarHBondContact O-N 3.05Å
604E29.6Very low28.4Very low135 Ų13583.6 Ų83.663%0.63145%0.447SS*.  trans-67.172.8162-81.2-170.5-168.100108.2K602 N606K602-E604 HydrophobicContact CB-CG 4.21Å; K602-E604 PolarHBondContact O-N 2.91Å; K602-E604 VanDerWaalsContact O-N 3.08Å; E604-N606 HydrophobicContact CB-CB 4.28Å; E604-N606 PolarHBondContact O-N 3.34Å
605L30.9Very low28Very low91 Ų9189 Ų8948%0.47648%0.476SS..  trans-66.168.9146.7-82.7170.6000106.4I603 L607I603-L605 HydrophobicContact CG2-CD1 4.38Å; I603-L605 HydrophobicContact CG2-CG 3.87Å; I603-L605 PolarHBondContact O-N 3.05Å; L605-L607 PolarHBondContact O-N 2.87Å
606N29.5Very low27.8Very low70 Ų7096.5 Ų96.537%0.37451%0.511SS..  trans-74.285.2179.5-157.7-20.3000105.5E604 S608 A609E604-N606 HydrophobicContact CB-CB 4.28Å; E604-N606 PolarHBondContact O-N 3.34Å; N606-S608 PolarHBondContact O-N 3.29Å; N606-S608 PolarHBondContact OD1-OG 2.85Å; N606-A609 HydrophobicContact CB-CB 3.94Å; N606-A609 WeakPolarHBondContact O-CB 3.43Å; N606-A609 PolarHBondContact O-N 2.8Å
607L30.3Very low27.5Very low95 Ų9598.6 Ų98.650%0.49752%0.522SS..THydrogen-bonded Turntrans-52.7-21.2179.8-10671.4000112.1V399 V403 L605V399-L607 HydrophobicContact CG1-CD2 4.31Å; V403-L607 HydrophobicContact CG2-CD1 4.42Å; V403-L607 HydrophobicContact CG2-CG 4.31Å; L605-L607 PolarHBondContact O-N 2.87Å
608S28.9Very low27.3Very low91 Ų91106 Ų10664%0.63656%0.561SS**THydrogen-bonded Turntrans-80-11.8174.779.30000115.5N606N606-S608 PolarHBondContact O-N 3.29Å; N606-S608 PolarHBondContact OD1-OG 2.85Å
609A29.3Very low27.4Very low57 Ų57110.3 Ų110.347%0.47160%0.599SS.*THydrogen-bonded Turntrans-102-18.1-172.600000114.9N606 T611N606-A609 HydrophobicContact CB-CB 3.94Å; N606-A609 WeakPolarHBondContact O-CB 3.43Å; N606-A609 PolarHBondContact O-N 2.8Å; A609-T611 PolarHBondContact O-N 2.72Å
610M26.6Very low26.8Very low116 Ų116115 Ų11557%0.57163%0.626SS**THydrogen-bonded Turntrans-76.33.6-179.7-72.2-177.770.600114.6
611T25.8Very low26.9Very low117 Ų117120.2 Ų120.272%0.71865%0.651SS**THydrogen-bonded Turntrans-99.37.6179.950.60000114.2A609A609-T611 PolarHBondContact O-N 2.72Å
612R23.8Very low27Very low217 Ų217126.5 Ų126.582%0.81968%0.684SS**SBendtrans-135.8144.7178.4-72.5-175.3169.4146.1-1.6113.4
613T26.6Very low27.1Very low136 Ų136125.3 Ų125.383%0.83469%0.689SS**  trans66.267.4172.252.70000118.4N615T613-N615 PolarHBondContact O-N 3.28Å
614S22.2Very low26.9Very low95 Ų95128 Ų12866%0.66470%0.704SS**  trans-61105134.1-550000109
615N25.8Very low26.7Very low152 Ų152129.6 Ų129.681%0.81372%0.716SS**  trans175.393.7153.1-94.7-22.5000111.3T613T613-N615 PolarHBondContact O-N 3.28Å
616Q27.8Very low26.3Very low200 Ų200133.1 Ų133.194%0.93573%0.73SS**  trans169.993.3134.3-94.1171.714.500110.4
617I24.2Very low26.1Very low158 Ų158136 Ų13681%0.8175%0.75SS**  trans-100.5117160.6-64.2171.5000106.3
618N26Very low25.9Very low155 Ų155138.7 Ų138.783%0.82977%0.77SS**  trans16997.7144.7-90-23.8000112.6
619A28.3Very low25.7Very low110 Ų110143.5 Ų143.591%0.90978%0.783SS**  trans-166.686149.800000109.7
620L23.6Very low25.4Very low152 Ų152143.8 Ų143.880%0.79679%0.791SS**  trans-88.3149176-95.2159.8000111.7
621N24.8Very low25.4Very low140 Ų140146.4 Ų146.475%0.74981%0.808SS**  trans76.9116.7155.4-54.8-23000120.3
622N27.2Very low25.7Very low161 Ų161145.3 Ų145.386%0.86181%0.81SS**  -150.8138.2109.3-145.320.3000110.4
623P29.6Very low26.1Very low91 Ų91140 Ų14059%0.59180%0.802SS**  trans-95.6173.7178.437.1-33.1000113.7
624D23.4Very low26.9Very low148 Ų148137.5 Ų137.579%0.79179%0.79SS**  trans67105.6165.9-57.9-30.1000119.5
625L25.7Very low28.5Very low170 Ų170137.9 Ų137.989%0.8978%0.78SS**  -168.1147.1107.3-100.8160000113.6
626Q23.2Very low30.3Very low165 Ų165131 Ų13177%0.77174%0.744SS**  trans-73.3150.7-158.3-66.1163.8-19.300116.8
627T24.5Very low32.8Very low129 Ų129121.5 Ų121.579%0.79170%0.699SS**  trans54.6104.6145.354.90000120.8
628V26.7Very low35.9Very low152 Ų152117.8 Ų117.892%0.92168%0.675SS**  -147.8140.6121.4178.10000108.6
629E24Very low38.9Very low193 Ų193110.4 Ų110.490%0.90264%0.636SS**  trans-74.3134.3-177.6-60.7175.512800114.6
630G23.7Very low41.7Very low63 Ų63106.4 Ų106.465%0.64960%0.598SS**  trans100.8110141.700000119.7
631N27.2Very low44.7Very low171 Ų171102.2 Ų102.291%0.91457%0.574SS**  178.6151.6108.4-97.6-50000116.7
632A30.5Very low47.8Very low93 Ų9396.9 Ų96.977%0.76955%0.545SS*.  trans64.491.2146.600000121.3
633T33.2Very low50.9Low105 Ų10589.4 Ų89.464%0.64451%0.505SS*.  trans-79141.1144.250.50000110.2N594 K635N594-T633 PolarHBondContact ND2-OG1 3.44Å; T633-K635 PolarHBondContact O-N 3.12Å
634S43.1Very low53.8Low85 Ų8587.7 Ų87.759%0.59449%0.494SS*.  trans-64.692.7-178.5175.20000112.1T598 N601T598-S634 VanDerWaalsContact CG2-O 3.22Å; T598-S634 WeakPolarHBondContact CG2-O 3.33Å; N601-S634 PolarHBondContact ND2-OG 2.75Å
635K55.3Low56.7Low102 Ų10284.7 Ų84.744%0.44348%0.477SS..PPolyproline II helixtrans-56.1166.7158.4-83-164.5169.2-166.40111.5N594 T633N594-K635 HydrophobicContact CB-CG 3.74Å; N594-K635 VanDerWaalsContact CG-CE 3.45Å; N594-K635 VanDerWaalsContact CG-CG 3.47Å; N594-K635 WeakPolarHBondContact OD1-CE 3.43Å; T633-K635 PolarHBondContact O-N 3.12Å
636C64.3Low59.7Low9 Ų977 Ų776%0.06144%0.437CS..PPolyproline II helixtrans-72.2170.8166.6-150.60000112.6S597 T598 K599 S600S597-C636 VanDerWaalsContact C-CB 3.4Å; S597-C636 WeakPolarHBondContact O-CB 3.39Å; S597-C636 PolarHBondContact O-SG 2.86Å; S597-C636 WeakPolarHBondContact OG-CB 3.04Å; S597-C636 PolarHBondContact OG-N 3.41Å; T598-C636 HydrophobicContact CG2-CB 4.37Å; K599-C636 PolarHBondContact N-SG 3.25Å; S600-C636 PolarHBondContact N-SG 3.3Å
637P81.4Confident62.8Low0 Ų071.8 Ų71.80%042%0.416CS..PPolyproline II helixtrans-59.8117.9134.5-23.834000113.8L639 F640 D708 T709 F710P637-L639 HydrophobicContact CB-CB 4.28Å; P637-L639 PolarHBondContact O-N 3.07Å; P637-L639 VanDerWaalsContact O-N 3.12Å; P637-F640 HydrophobicContact CB-CD2 3.89Å; P637-F640 HydrophobicContact CB-CE2 4.25Å; P637-F640 HydrophobicContact CG-CD2 4.33Å; P637-F640 HydrophobicContact CG-CE2 4.43Å; P637-F640 PolarHBondContact O-N 2.59Å; P637-D708 WeakPolarHBondContact CA-OD1 3.25Å; P637-D708 WeakPolarHBondContact CA-OD2 3.44Å; P637-D708 HydrophobicContact CB-CB 3.78Å; P637-D708 HydrophobicContact CG-CB 4.43Å; P637-T709 WeakPolarHBondContact CG-O 3.44Å; P637-F710 HydrophobicContact CB-CD1 4.04Å; P637-F710 HydrophobicContact CB-CD2 4.49Å; P637-F710 HydrophobicContact CB-CE1 3.45Å; P637-F710 VanDerWaalsContact CB-CE1 3.45Å; P637-F710 HydrophobicContact CB-CE2 3.96Å; P637-F710 HydrophobicContact CB-CZ 3.4Å; P637-F710 HydrophobicContact CG-CD1 3.38Å; P637-F710 HydrophobicContact CG-CD2 3.97Å; P637-F710 HydrophobicContact CG-CE1 3.36Å; P637-F710 HydrophobicContact CG-CE2 3.94Å; P637-F710 HydrophobicContact CG-CG 3.68Å; P637-F710 HydrophobicContact CG-CZ 3.65Å
638R88Confident65.7Low80 Ų8069.8 Ų69.830%0.30240%0.4SS..THydrogen-bonded Turntrans-57.3-21.4169.6171.6-179.5175.6-145.4-8.5113.5F640 E641 D642 W706 D708R638-F640 PolarHBondContact O-N 3.34Å; R638-E641 VanDerWaalsContact CA-OE2 3.3Å; R638-E641 WeakPolarHBondContact CA-OE2 3.46Å; R638-E641 HydrophobicContact CB-CB 4.44Å; R638-E641 HydrophobicContact CB-CG 4.29Å; R638-E641 WeakPolarHBondContact CB-OE2 3.36Å; R638-E641 HydrophobicContact CG-CB 4.16Å; R638-E641 HydrophobicContact CG-CG 4.47Å; R638-E641 WeakPolarHBondContact O-CB 3.34Å; R638-E641 PolarHBondContact O-N 3.14Å; R638-D642 IonicContact CZ-OD2 2.77Å; R638-D642 IonicContact NE-OD2 2.94Å; R638-D642 PolarHBondContact NE-OD2 2.93Å; R638-D642 IonicContact NH2-OD2 3.13Å; R638-D642 PolarHBondContact NH2-OD2 3.29Å; R638-D642 PolarHBondContact O-N 3.23Å; R638-W706 HydrophobicContact CB-CG 4.47Å; R638-W706 HydrophobicContact CG-CD2 4.44Å; R638-W706 HydrophobicContact CG-CG 4.47Å; R638-D708 PolarHBondContact N-OD1 2.96Å; R638-D708 PolarHBondContact N-OD2 3.06Å; R638-D708 VanDerWaalsContact N-OD2 3.09Å
639L89.2Confident68.4Low0 Ų066.7 Ų66.70%038%0.377CS..Hα-helixtrans-46.3-35.8167.7-178.860.2000113.5P637 F646 L658 I671 W706 D708 F710 L714 I908P637-L639 HydrophobicContact CB-CB 4.28Å; P637-L639 PolarHBondContact O-N 3.07Å; P637-L639 VanDerWaalsContact O-N 3.12Å; L639-F646 HydrophobicContact CD1-CE1 3.75Å; L639-F646 HydrophobicContact CD1-CZ 4.47Å; L639-F646 HydrophobicContact CG-CE1 3.97Å; L639-F646 HydrophobicContact CG-CZ 4.36Å; L639-F646 WeakPolarHBondContact O-CZ 3.49Å; L639-L658 HydrophobicContact CD2-CD1 4.38Å; L639-I671 HydrophobicContact CD1-CB 4.5Å; L639-I671 HydrophobicContact CD1-CG2 3.7Å; L639-W706 HydrophobicContact CD1-CZ2 4.5Å; L639-D708 WeakPolarHBondContact CB-OD2 3.37Å; L639-D708 PolarHBondContact N-OD2 3.36Å; L639-F710 HydrophobicContact CB-CZ 4.35Å; L639-F710 HydrophobicContact CD2-CE1 4.14Å; L639-F710 HydrophobicContact CD2-CZ 3.95Å; L639-L714 HydrophobicContact CD2-CD1 3.93Å; L639-I908 HydrophobicContact CD1-CG2 4.16Å; L639-I908 HydrophobicContact CD2-CD1 4.44Å
640F87.6Confident70.9Confident26 Ų2658.8 Ų58.811%0.11435%0.348CS..Hα-helixtrans-104.1-0.7178.8-50.1-67.3000113.5S600 P637 R638 F646 F710 L714 M719S600-F640 VanDerWaalsContact CB-CE2 3.42Å; P637-F640 HydrophobicContact CB-CD2 3.89Å; P637-F640 HydrophobicContact CB-CE2 4.25Å; P637-F640 HydrophobicContact CG-CD2 4.33Å; P637-F640 HydrophobicContact CG-CE2 4.43Å; P637-F640 PolarHBondContact O-N 2.59Å; R638-F640 PolarHBondContact O-N 3.34Å; F640-F646 HydrophobicContact CD1-CE1 4.34Å; F640-F646 AromaticContact CD1-CE2 3.62Å; F640-F646 HydrophobicContact CD1-CE2 3.62Å; F640-F646 AromaticContact CD1-CZ 3.5Å; F640-F646 HydrophobicContact CD1-CZ 3.5Å; F640-F646 HydrophobicContact CE1-CD2 4.4Å; F640-F646 HydrophobicContact CE1-CE1 4.29Å; F640-F646 AromaticContact CE1-CE2 3.9Å; F640-F646 HydrophobicContact CE1-CE2 3.9Å; F640-F646 AromaticContact CE1-CZ 3.83Å; F640-F646 HydrophobicContact CE1-CZ 3.83Å; F640-F710 HydrophobicContact CD2-CE1 4.35Å; F640-F710 HydrophobicContact CE2-CD1 4.12Å; F640-F710 AromaticContact CE2-CE1 3.53Å; F640-F710 HydrophobicContact CE2-CE1 3.53Å; F640-F710 HydrophobicContact CZ-CE1 4.16Å; F640-L714 HydrophobicContact CZ-CD2 4.42Å; F640-M719 HydrophobicContact CE1-CG 4.24Å; F640-M719 HydrophobicContact CZ-CG 4.14Å
641E86.1Confident73.3Confident63 Ų6363.6 Ų63.629%0.29435%0.351SS..Hα-helixtrans-71-45.3164.1-69.4165.33900109.8S597 R638S597-E641 WeakPolarHBondContact CB-OE2 3.46Å; S597-E641 PolarHBondContact OG-OE2 3.34Å; R638-E641 VanDerWaalsContact CA-OE2 3.3Å; R638-E641 WeakPolarHBondContact CA-OE2 3.46Å; R638-E641 HydrophobicContact CB-CB 4.44Å; R638-E641 HydrophobicContact CB-CG 4.29Å; R638-E641 WeakPolarHBondContact CB-OE2 3.36Å; R638-E641 HydrophobicContact CG-CB 4.16Å; R638-E641 HydrophobicContact CG-CG 4.47Å; R638-E641 WeakPolarHBondContact O-CB 3.34Å; R638-E641 PolarHBondContact O-N 3.14Å
642D89.2Confident75.1Confident28 Ų2857.9 Ų57.915%0.1533%0.332CS..Hα-helixtrans-109-10.4-162.6-72.3-7.1000114.9R638 N662 I663R638-D642 IonicContact CZ-OD2 2.77Å; R638-D642 IonicContact NE-OD2 2.94Å; R638-D642 PolarHBondContact NE-OD2 2.93Å; R638-D642 IonicContact NH2-OD2 3.13Å; R638-D642 PolarHBondContact NH2-OD2 3.29Å; R638-D642 PolarHBondContact O-N 3.23Å; D642-N662 WeakPolarHBondContact O-CA 3.35Å; D642-N662 PolarHBondContact O-ND2 3.35Å; D642-I663 PolarHBondContact O-N 3.4Å
643F92.2Very high76.4Confident4 Ų457.2 Ų57.22%0.01834%0.335CS..EExtended strand (participates in β ladder)trans-137.8152.4-168.8-57.9-96.1000115.9F646 A660 R661 N662 Y669 I671 W706 Q910F643-F646 VanDerWaalsContact C-CZ 3.5Å; F643-F646 HydrophobicContact CB-CE1 3.79Å; F643-F646 HydrophobicContact CB-CZ 3.64Å; F643-F646 WeakPolarHBondContact O-CE2 3.36Å; F643-F646 WeakPolarHBondContact O-CZ 3.49Å; F643-A660 HydrophobicContact CB-CB 4Å; F643-A660 HydrophobicContact CD1-CB 4.12Å; F643-A660 HydrophobicContact CG-CB 4.37Å; F643-R661 CarbonylContact C-O 3.56Å; F643-R661 WeakPolarHBondContact CA-O 3.44Å; F643-N662 HydrophobicContact CD1-CB 3.97Å; F643-N662 HydrophobicContact CE1-CB 3.7Å; F643-N662 HydrophobicContact CZ-CB 4.43Å; F643-Y669 HydrophobicContact CE1-CD2 4.06Å; F643-I671 HydrophobicContact CD1-CD1 4.14Å; F643-I671 HydrophobicContact CD1-CG1 4.45Å; F643-I671 HydrophobicContact CE1-CD1 3.71Å; F643-I671 HydrophobicContact CE2-CD1 4.5Å; F643-I671 HydrophobicContact CZ-CD1 3.93Å; F643-W706 HydrophobicContact CD2-CH2 4.31Å; F643-W706 HydrophobicContact CD2-CZ2 4.48Å; F643-W706 AromaticContact CE2-CH2 3.44Å; F643-W706 HydrophobicContact CE2-CH2 3.44Å; F643-W706 VanDerWaalsContact CE2-CH2 3.44Å; F643-W706 AromaticContact CE2-CZ2 3.98Å; F643-W706 HydrophobicContact CE2-CZ2 3.98Å; F643-W706 HydrophobicContact CE2-CZ3 4.37Å; F643-W706 AromaticContact CZ-CH2 3.99Å; F643-W706 HydrophobicContact CZ-CH2 3.99Å; F643-Q910 HydrophobicContact CE1-CG 4.49Å; F643-Q910 HydrophobicContact CZ-CG 4.23Å
644T90.6Very high77.8Confident56 Ų5655.6 Ų55.634%0.34432%0.319SS..EExtended strand (participates in β ladder)trans-133.5-172.817650.60000111.7F646 A660 R661 I663T644-F646 PolarHBondContact O-N 3.27Å; T644-A660 CarbonylContact O-C 3.52Å; T644-A660 WeakPolarHBondContact O-CA 3.34Å; T644-R661 PolarHBondContact N-O 3.27Å; T644-R661 PolarHBondContact O-N 3.01Å; T644-I663 HydrophobicContact CG2-CD1 3.9Å; T644-I663 HydrophobicContact CG2-CG1 3.8Å
645D85.7Confident79.4Confident85 Ų8552.8 Ų52.846%0.45530%0.303SS..EExtended strand (participates in β ladder)trans52.445.1171-58.5-12.3000115.2V647 R661D645-V647 PolarHBondContact O-N 2.91Å; D645-V647 VanDerWaalsContact O-N 3.14Å; D645-R661 HydrophobicContact CB-CB 4.11Å; D645-R661 IonicContact OD2-CZ 3.9Å; D645-R661 IonicContact OD2-NE 3.74Å; D645-R661 IonicContact OD2-NH1 3.93Å; D645-R661 PolarHBondContact OD2-NH1 3.23Å
646F88.3Confident80.8Confident8 Ų848 Ų484%0.03528%0.283CS..EExtended strand (participates in β ladder)trans-75.590.6-168.9-64.4-84.8000115.9L639 F640 F643 T644 L658 K659 A660 M719 C721L639-F646 HydrophobicContact CD1-CE1 3.75Å; L639-F646 HydrophobicContact CD1-CZ 4.47Å; L639-F646 HydrophobicContact CG-CE1 3.97Å; L639-F646 HydrophobicContact CG-CZ 4.36Å; L639-F646 WeakPolarHBondContact O-CZ 3.49Å; F640-F646 HydrophobicContact CD1-CE1 4.34Å; F640-F646 AromaticContact CD1-CE2 3.62Å; F640-F646 HydrophobicContact CD1-CE2 3.62Å; F640-F646 AromaticContact CD1-CZ 3.5Å; F640-F646 HydrophobicContact CD1-CZ 3.5Å; F640-F646 HydrophobicContact CE1-CD2 4.4Å; F640-F646 HydrophobicContact CE1-CE1 4.29Å; F640-F646 AromaticContact CE1-CE2 3.9Å; F640-F646 HydrophobicContact CE1-CE2 3.9Å; F640-F646 AromaticContact CE1-CZ 3.83Å; F640-F646 HydrophobicContact CE1-CZ 3.83Å; F643-F646 VanDerWaalsContact C-CZ 3.5Å; F643-F646 HydrophobicContact CB-CE1 3.79Å; F643-F646 HydrophobicContact CB-CZ 3.64Å; F643-F646 WeakPolarHBondContact O-CE2 3.36Å; F643-F646 WeakPolarHBondContact O-CZ 3.49Å; T644-F646 PolarHBondContact O-N 3.27Å; F646-L658 HydrophobicContact CD1-CD1 4.3Å; F646-K659 CarbonylContact C-O 3.49Å; F646-K659 VanDerWaalsContact CA-O 3.24Å; F646-K659 WeakPolarHBondContact CA-O 3.31Å; F646-A660 HydrophobicContact CD1-CB 3.51Å; F646-A660 HydrophobicContact CE1-CB 3.68Å; F646-A660 HydrophobicContact CG-CB 4.33Å; F646-M719 HydrophobicContact CB-CE 3.49Å; F646-M719 VanDerWaalsContact CB-CE 3.49Å; F646-M719 HydrophobicContact CD1-CE 4.02Å; F646-M719 HydrophobicContact CG-CE 3.84Å; F646-C721 WeakPolarHBondContact O-CB 3.2Å
647V87.2Confident82Confident56 Ų5649.3 Ų49.334%0.33929%0.29SS..EExtended strand (participates in β ladder)trans-91.5128.9175.1-176.90000111.2D645 I649 L658 K659D645-V647 PolarHBondContact O-N 2.91Å; D645-V647 VanDerWaalsContact O-N 3.14Å; V647-I649 HydrophobicContact CG1-CG2 4.47Å; V647-I649 PolarHBondContact O-N 2.84Å; V647-L658 CarbonylContact O-C 3.51Å; V647-L658 WeakPolarHBondContact O-CA 3.19Å; V647-K659 HydrophobicContact CB-CB 4.2Å; V647-K659 PolarHBondContact N-O 3.2Å; V647-K659 PolarHBondContact O-N 3.39Å
648L86.8Confident82.4Confident86 Ų8649.3 Ų49.345%0.4529%0.29SS..EExtended strand (participates in β ladder)trans-70.4113173.6179.868000110.7G650 C656 L658 P715L648-G650 WeakPolarHBondContact CD1-O 3.34Å; L648-C656 HydrophobicContact CD1-CB 3.84Å; L648-L658 HydrophobicContact CB-CD2 4.36Å; L648-L658 HydrophobicContact CD1-CD2 3.84Å; L648-P715 HydrophobicContact CD1-CG 4.32Å; L648-P715 HydrophobicContact CD2-CG 4.34Å
649I82.7Confident82.6Confident87 Ų8748.3 Ų48.345%0.44629%0.288SS..EExtended strand (participates in β ladder)trans-105.2-16.2-179.662175.8000113.8V647 V657 K659 A670 L913V647-I649 HydrophobicContact CG1-CG2 4.47Å; V647-I649 PolarHBondContact O-N 2.84Å; I649-V657 HydrophobicContact CD1-CG1 3.9Å; I649-V657 HydrophobicContact CG1-CB 4.08Å; I649-V657 HydrophobicContact CG1-CG1 3.89Å; I649-V657 WeakPolarHBondContact CG1-O 3.27Å; I649-V657 PolarHBondContact N-O 3.5Å; I649-K659 HydrophobicContact CD1-CB 4.36Å; I649-K659 HydrophobicContact CG2-CB 3.74Å; I649-A670 HydrophobicContact CD1-CB 4.14Å; I649-L913 HydrophobicContact CD1-CD1 3.79Å
650G76.7Confident82.8Confident28 Ų2848.3 Ų48.329%0.28929%0.288SS..EExtended strand (participates in β ladder)trans-164151.9174.800000114.1L648 C656 V657L648-G650 WeakPolarHBondContact CD1-O 3.34Å; G650-C656 CarbonylContact O-C 3.44Å; G650-C656 WeakPolarHBondContact O-CA 3.32Å; G650-V657 PolarHBondContact N-O 2.96Å; G650-V657 PolarHBondContact O-N 2.94Å
651K74.7Confident83.1Confident163 Ų16350.7 Ų50.771%0.70930%0.296SS*.EExtended strand (participates in β ladder)trans-143.6116.4175.3-169.6176.6-179.4179.60109.9G655K651-G655 WeakPolarHBondContact CA-O 3.42Å
652G65.1Low83.5Confident51 Ų5148.2 Ų48.253%0.52629%0.285SS..EExtended strand (participates in β ladder)trans-133.4-178.5-176.800000112.4F654 G655G652-F654 PolarHBondContact O-N 3.33Å; G652-F654 VanDerWaalsContact O-N 3.11Å; G652-G655 PolarHBondContact N-O 3.09Å; G652-G655 PolarHBondContact O-N 3.42Å; G652-G655 VanDerWaalsContact O-O 3.08Å
653G57.8Low83.4Confident79 Ų7951 Ų5181%0.81430%0.299SS*.THydrogen-bonded Turntrans-60.7-23.1-176.300000114.7
654F62.1Low83Confident72 Ų7257.6 Ų57.632%0.31633%0.333SS..THydrogen-bonded Turntrans-92.4-6.3176.3-58.3-71.9000113.9G652 V674 L979G652-F654 PolarHBondContact O-N 3.33Å; G652-F654 VanDerWaalsContact O-N 3.11Å; F654-V674 HydrophobicContact CB-CG1 4.47Å; F654-V674 WeakPolarHBondContact O-CA 3.06Å; F654-V674 WeakPolarHBondContact O-CB 3.38Å; F654-V674 WeakPolarHBondContact O-CG1 3.41Å; F654-V674 WeakPolarHBondContact O-CG2 3.26Å; F654-L979 HydrophobicContact CZ-CD2 4Å
655G76.3Confident82.7Confident26 Ų2660.1 Ų60.127%0.26834%0.341SS..EExtended strand (participates in β ladder)trans140.4-152.4178.600000114.2K651 G652 C673K651-G655 WeakPolarHBondContact CA-O 3.42Å; G652-G655 PolarHBondContact N-O 3.09Å; G652-G655 PolarHBondContact O-N 3.42Å; G652-G655 VanDerWaalsContact O-O 3.08Å; G655-C673 WeakPolarHBondContact CA-O 3.43Å
656C85.5Confident82.8Confident1 Ų162.1 Ų62.11%0.00735%0.352CS..EExtended strand (participates in β ladder)trans-120.6141.4-179.956.60000112L648 G650 C673 P715L648-C656 HydrophobicContact CD1-CB 3.84Å; G650-C656 CarbonylContact O-C 3.44Å; G650-C656 WeakPolarHBondContact O-CA 3.32Å; C656-C673 PolarHBondContact N-O 2.76Å; C656-C673 VanDerWaalsContact N-O 3.13Å; C656-C673 PolarHBondContact O-N 2.87Å; C656-P715 HydrophobicContact CB-CG 4.47Å
657V88.2Confident82.9Confident36 Ų3668.8 Ų68.822%0.21838%0.376CS..EExtended strand (participates in β ladder)trans-105.7129.3171-166.20000108.2I649 G650 A670 I671 K672 M911I649-V657 HydrophobicContact CD1-CG1 3.9Å; I649-V657 HydrophobicContact CG1-CB 4.08Å; I649-V657 HydrophobicContact CG1-CG1 3.89Å; I649-V657 WeakPolarHBondContact CG1-O 3.27Å; I649-V657 PolarHBondContact N-O 3.5Å; G650-V657 PolarHBondContact N-O 2.96Å; G650-V657 PolarHBondContact O-N 2.94Å; V657-A670 HydrophobicContact CG1-CB 4.29Å; V657-I671 WeakPolarHBondContact CA-O 3.39Å; V657-K672 HydrophobicContact CG1-CB 4.47Å; V657-K672 HydrophobicContact CG2-CB 4.17Å; V657-K672 HydrophobicContact CG2-CG 4.14Å; V657-M911 HydrophobicContact CG1-CE 4.24Å
658L90.9Very high83.2Confident1 Ų168.1 Ų68.11%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-117.3132-177.1-53.8168.3000108.3L639 F646 V647 L648 A670 I671 M719L639-L658 HydrophobicContact CD2-CD1 4.38Å; F646-L658 HydrophobicContact CD1-CD1 4.3Å; V647-L658 CarbonylContact O-C 3.51Å; V647-L658 WeakPolarHBondContact O-CA 3.19Å; L648-L658 HydrophobicContact CB-CD2 4.36Å; L648-L658 HydrophobicContact CD1-CD2 3.84Å; L658-A670 CarbonylContact O-C 3.57Å; L658-A670 WeakPolarHBondContact O-CA 3.42Å; L658-I671 HydrophobicContact CB-CB 4.45Å; L658-I671 PolarHBondContact N-O 3.24Å; L658-I671 PolarHBondContact O-N 3.41Å; L658-M719 HydrophobicContact CD1-CE 3.58Å; L658-M719 HydrophobicContact CD2-CE 3.85Å; L658-M719 HydrophobicContact CG-CE 4.31Å
659K92.3Very high83.5Confident58 Ų5864.2 Ų64.225%0.25235%0.351SS..EExtended strand (participates in β ladder)trans-67.9136.4152.8161.6177-179.1167.50106.9F646 V647 I649 D668 Y669 L913F646-K659 CarbonylContact C-O 3.49Å; F646-K659 VanDerWaalsContact CA-O 3.24Å; F646-K659 WeakPolarHBondContact CA-O 3.31Å; V647-K659 HydrophobicContact CB-CB 4.2Å; V647-K659 PolarHBondContact N-O 3.2Å; V647-K659 PolarHBondContact O-N 3.39Å; I649-K659 HydrophobicContact CD1-CB 4.36Å; I649-K659 HydrophobicContact CG2-CB 3.74Å; K659-D668 WeakPolarHBondContact CE-OD2 3.21Å; K659-D668 IonicContact NZ-OD2 2.71Å; K659-D668 PolarHBondContact NZ-OD2 3.49Å; K659-Y669 CarbonylContact C-O 3.55Å; K659-Y669 WeakPolarHBondContact CA-O 3.38Å; K659-L913 HydrophobicContact CB-CD1 4.14Å; K659-L913 HydrophobicContact CB-CD2 4.47Å; K659-L913 HydrophobicContact CD-CD2 3.8Å; K659-L913 HydrophobicContact CG-CD2 3.96Å
660A92.9Very high84Confident0 Ų060.4 Ų60.40%033%0.332CS..EExtended strand (participates in β ladder)trans-149.6150.7171.800000110F643 T644 F646 Y669 I671F643-A660 HydrophobicContact CB-CB 4Å; F643-A660 HydrophobicContact CD1-CB 4.12Å; F643-A660 HydrophobicContact CG-CB 4.37Å; T644-A660 CarbonylContact O-C 3.52Å; T644-A660 WeakPolarHBondContact O-CA 3.34Å; F646-A660 HydrophobicContact CD1-CB 3.51Å; F646-A660 HydrophobicContact CE1-CB 3.68Å; F646-A660 HydrophobicContact CG-CB 4.33Å; A660-Y669 PolarHBondContact N-O 3.41Å; A660-Y669 PolarHBondContact O-N 2.98Å; A660-I671 HydrophobicContact CB-CG1 3.85Å
661R92.9Very high84.8Confident77 Ų7759.1 Ų59.129%0.29132%0.318SS..EExtended strand (participates in β ladder)trans-95.6125.1176.7179.6163.1-68.6160.1-13.1109.9F643 T644 D645 D666 R667 D668F643-R661 CarbonylContact C-O 3.56Å; F643-R661 WeakPolarHBondContact CA-O 3.44Å; T644-R661 PolarHBondContact N-O 3.27Å; T644-R661 PolarHBondContact O-N 3.01Å; D645-R661 HydrophobicContact CB-CB 4.11Å; D645-R661 IonicContact OD2-CZ 3.9Å; D645-R661 IonicContact OD2-NE 3.74Å; D645-R661 IonicContact OD2-NH1 3.93Å; D645-R661 PolarHBondContact OD2-NH1 3.23Å; R661-D666 WeakPolarHBondContact CD-OD1 3.48Å; R661-R667 WeakPolarHBondContact CA-O 3.36Å; R661-D668 IonicContact CZ-OD1 2.73Å; R661-D668 VanDerWaalsContact CZ-OD1 3.25Å; R661-D668 IonicContact NE-OD1 2.68Å; R661-D668 PolarHBondContact NE-OD1 2.78Å; R661-D668 IonicContact NH2-OD1 3.16Å; R661-D668 PolarHBondContact NH2-OD1 2.85Å; R661-D668 IonicContact NH2-OD2 2.69Å
662N94.6Very high85.5Confident10 Ų1051.9 Ų51.95%0.05329%0.287CS..EExtended strand (participates in β ladder)trans-69.9131.7171.1-176.6-88.6000109.4D642 F643 I664 E665 D666 R667 Y669D642-N662 WeakPolarHBondContact O-CA 3.35Å; D642-N662 PolarHBondContact O-ND2 3.35Å; F643-N662 HydrophobicContact CD1-CB 3.97Å; F643-N662 HydrophobicContact CE1-CB 3.7Å; F643-N662 HydrophobicContact CZ-CB 4.43Å; N662-I664 PolarHBondContact O-N 2.85Å; N662-I664 PolarHBondContact OD1-N 3.14Å; N662-E665 HydrophobicContact CB-CB 4.37Å; N662-E665 PolarHBondContact OD1-N 3.45Å; N662-D666 WeakPolarHBondContact O-CA 3.43Å; N662-D666 PolarHBondContact O-N 3.01Å; N662-D666 VanDerWaalsContact O-N 3.16Å; N662-R667 PolarHBondContact N-O 2.83Å; N662-Y669 HydrophobicContact CB-CD2 3.84Å; N662-Y669 HydrophobicContact CB-CE2 3.81Å
663I88.6Confident86.7Confident87 Ų8749.5 Ų49.545%0.44626%0.262SS..THydrogen-bonded Turntrans-71.8-31.3-172.8-59.2167000111.9D642 T644D642-I663 PolarHBondContact O-N 3.4Å; T644-I663 HydrophobicContact CG2-CD1 3.9Å; T644-I663 HydrophobicContact CG2-CG1 3.8Å
664I82.9Confident88.1Confident142 Ų14246 Ų4673%0.72823%0.225SC*.THydrogen-bonded Turntrans-84.7-39.6-175.2-58.2173000110.9N662N662-I664 PolarHBondContact O-N 2.85Å; N662-I664 PolarHBondContact OD1-N 3.14Å
665E85.7Confident89.2Confident110 Ų11048.2 Ų48.251%0.51423%0.231SC..THydrogen-bonded Turntrans-94.5-2.2-175.2-61.1-179.3169.600114.3N662 R667 Y669N662-E665 HydrophobicContact CB-CB 4.37Å; N662-E665 PolarHBondContact OD1-N 3.45Å; E665-R667 HydrophobicContact CB-CB 4.1Å; E665-R667 PolarHBondContact O-N 3.21Å; E665-R667 VanDerWaalsContact O-N 3.09Å; E665-Y669 VanDerWaalsContact OE2-CE2 3.26Å; E665-Y669 WeakPolarHBondContact OE2-CE2 3.25Å; E665-Y669 VanDerWaalsContact OE2-CZ 3.25Å; E665-Y669 PolarHBondContact OE2-OH 3.23Å
666D86.8Confident89.2Confident127 Ų12748 Ų4868%0.67923%0.226SC*.THydrogen-bonded Turntrans46.334-170.9-16336.5000113.9R661 N662R661-D666 WeakPolarHBondContact CD-OD1 3.48Å; N662-D666 WeakPolarHBondContact O-CA 3.43Å; N662-D666 PolarHBondContact O-N 3.01Å; N662-D666 VanDerWaalsContact O-N 3.16Å
667R90Very high88.6Confident147 Ų14749.6 Ų49.656%0.55524%0.238SC*.EExtended strand (participates in β ladder)trans-122.2134.4-167.4-169.3170.1-175.1-177.65.7113.2R661 N662 E665 Y669R661-R667 WeakPolarHBondContact CA-O 3.36Å; N662-R667 PolarHBondContact N-O 2.83Å; E665-R667 HydrophobicContact CB-CB 4.1Å; E665-R667 PolarHBondContact O-N 3.21Å; E665-R667 VanDerWaalsContact O-N 3.09Å; R667-Y669 HydrophobicContact CB-CE2 3.87Å; R667-Y669 HydrophobicContact CG-CE2 4.08Å; R667-Y669 WeakPolarHBondContact O-CD2 3.23Å
668D93.1Very high87.5Confident43 Ų4358 Ų5823%0.2327%0.272CS..EExtended strand (participates in β ladder)trans-76.2131.6178-64.62.5000111.8K659 R661 L913K659-D668 WeakPolarHBondContact CE-OD2 3.21Å; K659-D668 IonicContact NZ-OD2 2.71Å; K659-D668 PolarHBondContact NZ-OD2 3.49Å; R661-D668 IonicContact CZ-OD1 2.73Å; R661-D668 VanDerWaalsContact CZ-OD1 3.25Å; R661-D668 IonicContact NE-OD1 2.68Å; R661-D668 PolarHBondContact NE-OD1 2.78Å; R661-D668 IonicContact NH2-OD1 3.16Å; R661-D668 PolarHBondContact NH2-OD1 2.85Å; R661-D668 IonicContact NH2-OD2 2.69Å; D668-L913 HydrophobicContact CB-CD2 3.72Å
669Y94.5Very high86.2Confident4 Ų462.9 Ų62.92%0.01631%0.306CS..EExtended strand (participates in β ladder)trans-132.1156.1-178.5-73.8-71.8000112.1F643 K659 A660 N662 E665 R667 F703 Q910 M911F643-Y669 HydrophobicContact CE1-CD2 4.06Å; K659-Y669 CarbonylContact C-O 3.55Å; K659-Y669 WeakPolarHBondContact CA-O 3.38Å; A660-Y669 PolarHBondContact N-O 3.41Å; A660-Y669 PolarHBondContact O-N 2.98Å; N662-Y669 HydrophobicContact CB-CD2 3.84Å; N662-Y669 HydrophobicContact CB-CE2 3.81Å; E665-Y669 VanDerWaalsContact OE2-CE2 3.26Å; E665-Y669 WeakPolarHBondContact OE2-CE2 3.25Å; E665-Y669 VanDerWaalsContact OE2-CZ 3.25Å; E665-Y669 PolarHBondContact OE2-OH 3.23Å; R667-Y669 HydrophobicContact CB-CE2 3.87Å; R667-Y669 HydrophobicContact CG-CE2 4.08Å; R667-Y669 WeakPolarHBondContact O-CD2 3.23Å; Y669-F703 HydrophobicContact CD1-CD2 4.02Å; Y669-F703 AromaticContact CD1-CE2 3.97Å; Y669-F703 HydrophobicContact CD1-CE2 3.97Å; Y669-F703 HydrophobicContact CD1-CZ 4.49Å; Y669-F703 HydrophobicContact CE1-CD1 4.13Å; Y669-F703 AromaticContact CE1-CD2 3.74Å; Y669-F703 HydrophobicContact CE1-CD2 3.74Å; Y669-F703 AromaticContact CE1-CE1 3.95Å; Y669-F703 HydrophobicContact CE1-CE1 3.95Å; Y669-F703 AromaticContact CE1-CE2 3.56Å; Y669-F703 HydrophobicContact CE1-CE2 3.56Å; Y669-F703 HydrophobicContact CE1-CG 4.04Å; Y669-F703 AromaticContact CE1-CZ 3.66Å; Y669-F703 HydrophobicContact CE1-CZ 3.66Å; Y669-Q910 HydrophobicContact CD1-CG 3.98Å; Y669-Q910 VanDerWaalsContact CE2-NE2 3.26Å; Y669-Q910 HydrophobicContact CG-CG 3.98Å; Y669-M911 WeakPolarHBondContact CD1-O 3.36Å
670A93.1Very high84.9Confident7 Ų764.3 Ų64.36%0.05831%0.313CS..EExtended strand (participates in β ladder)trans-96.5111.6168.800000110I649 V657 L658 M911 L913I649-A670 HydrophobicContact CD1-CB 4.14Å; V657-A670 HydrophobicContact CG1-CB 4.29Å; L658-A670 CarbonylContact O-C 3.57Å; L658-A670 WeakPolarHBondContact O-CA 3.42Å; A670-M911 HydrophobicContact CB-CB 4.41Å; A670-M911 HydrophobicContact CB-CE 4.23Å; A670-M911 PolarHBondContact N-O 3.31Å; A670-M911 WeakPolarHBondContact O-CA 3.43Å; A670-M911 WeakPolarHBondContact O-CB 3.44Å; A670-M911 PolarHBondContact O-N 2.95Å; A670-L913 HydrophobicContact CB-CB 4.48Å; A670-L913 HydrophobicContact CB-CD1 4.17Å
671I92.5Very high83.7Confident0 Ų065.8 Ų65.80%032%0.322CS..EExtended strand (participates in β ladder)trans-101.3107.7-178.8-49-57.5000110.2L639 F643 V657 L658 A660 I908 I909 Q910L639-I671 HydrophobicContact CD1-CB 4.5Å; L639-I671 HydrophobicContact CD1-CG2 3.7Å; F643-I671 HydrophobicContact CD1-CD1 4.14Å; F643-I671 HydrophobicContact CD1-CG1 4.45Å; F643-I671 HydrophobicContact CE1-CD1 3.71Å; F643-I671 HydrophobicContact CE2-CD1 4.5Å; F643-I671 HydrophobicContact CZ-CD1 3.93Å; V657-I671 WeakPolarHBondContact CA-O 3.39Å; L658-I671 HydrophobicContact CB-CB 4.45Å; L658-I671 PolarHBondContact N-O 3.24Å; L658-I671 PolarHBondContact O-N 3.41Å; A660-I671 HydrophobicContact CB-CG1 3.85Å; I671-I908 HydrophobicContact CG2-CG2 3.27Å; I671-I909 CarbonylContact C-O 3.32Å; I671-I909 WeakPolarHBondContact CA-O 3.31Å; I671-Q910 HydrophobicContact CD1-CB 3.89Å; I671-Q910 HydrophobicContact CD1-CG 3.8Å
672K90.4Very high82.5Confident12 Ų1268.6 Ų68.65%0.05234%0.343CS..EExtended strand (participates in β ladder)trans-88.7112.5175.1178.1173.6174.5-173.80109.8V657 V674 E687 I909 M911 D976V657-K672 HydrophobicContact CG1-CB 4.47Å; V657-K672 HydrophobicContact CG2-CB 4.17Å; V657-K672 HydrophobicContact CG2-CG 4.14Å; K672-V674 HydrophobicContact CD-CG2 4.37Å; K672-V674 HydrophobicContact CG-CG2 3.87Å; K672-E687 VanDerWaalsContact NZ-CD 3.27Å; K672-E687 IonicContact NZ-OE1 3.83Å; K672-E687 PolarHBondContact NZ-OE1 2.94Å; K672-E687 IonicContact NZ-OE2 3.76Å; K672-E687 PolarHBondContact NZ-OE2 3.31Å; K672-E687 VanDerWaalsContact NZ-OE2 3.12Å; K672-I909 HydrophobicContact CB-CB 4.34Å; K672-I909 PolarHBondContact N-O 3.17Å; K672-I909 PolarHBondContact O-N 2.48Å; K672-M911 HydrophobicContact CB-CE 3.68Å; K672-M911 HydrophobicContact CB-SD 4.3Å; K672-D976 IonicContact NZ-OD1 2.78Å; K672-D976 PolarHBondContact NZ-OD1 3.29Å
673C90.6Very high81.1Confident0 Ų070.4 Ų70.40%036%0.355CS..EExtended strand (participates in β ladder)trans-102112.4179.9-53.30000110G655 C656 L714 Y906 I908G655-C673 WeakPolarHBondContact CA-O 3.43Å; C656-C673 PolarHBondContact N-O 2.76Å; C656-C673 VanDerWaalsContact N-O 3.13Å; C656-C673 PolarHBondContact O-N 2.87Å; C673-L714 HydrophobicContact CB-CD1 3.73Å; C673-Y906 HydrophobicContact CB-CD1 4.23Å; C673-I908 HydrophobicContact CB-CD1 3.85Å
674V86.3Confident80.4Confident6 Ų666.7 Ų66.74%0.03634%0.335CS..EExtended strand (participates in β ladder)trans-118.9130-176.1177.70000111.6F654 K672 A676 L684 Y906 I907F654-V674 HydrophobicContact CB-CG1 4.47Å; F654-V674 WeakPolarHBondContact O-CA 3.06Å; F654-V674 WeakPolarHBondContact O-CB 3.38Å; F654-V674 WeakPolarHBondContact O-CG1 3.41Å; F654-V674 WeakPolarHBondContact O-CG2 3.26Å; K672-V674 HydrophobicContact CD-CG2 4.37Å; K672-V674 HydrophobicContact CG-CG2 3.87Å; V674-A676 PolarHBondContact O-N 3.17Å; V674-L684 HydrophobicContact CB-CD1 3.85Å; V674-L684 HydrophobicContact CB-CD2 3.78Å; V674-L684 HydrophobicContact CB-CG 4.45Å; V674-L684 HydrophobicContact CG1-CD1 3.3Å; V674-L684 HydrophobicContact CG1-CD2 3.68Å; V674-L684 HydrophobicContact CG1-CG 4.12Å; V674-L684 HydrophobicContact CG2-CD1 4.04Å; V674-Y906 CarbonylContact O-C 3.57Å; V674-Y906 WeakPolarHBondContact O-CA 3.44Å; V674-I907 PolarHBondContact N-O 3.31Å; V674-I907 PolarHBondContact O-N 2.74Å
675R85.1Confident80.2Confident119 Ų11963.7 Ų63.745%0.44932%0.317SS..EExtended strand (participates in β ladder)trans-71.1117.8-177.9-171.6176.8179.1176.40.9111.4S677 Y904 R905 Y906R675-S677 PolarHBondContact O-N 2.99Å; R675-Y904 VanDerWaalsContact CZ-CD1 3.43Å; R675-Y904 VanDerWaalsContact NH2-CD1 3.33Å; R675-Y904 VanDerWaalsContact NH2-CE1 3.32Å; R675-R905 CarbonylContact C-O 3.4Å; R675-Y906 HydrophobicContact CB-CD1 4.18Å; R675-Y906 HydrophobicContact CB-CE1 3.88Å
676A76.4Confident79.6Confident20 Ų2062 Ų6217%0.16531%0.306CS..  trans-80.277.9178.600000111.3V674 R905V674-A676 PolarHBondContact O-N 3.17Å; A676-R905 HydrophobicContact CB-CB 4.18Å; A676-R905 PolarHBondContact N-O 3.02Å
677S72.2Confident79.2Confident35 Ų3556.1 Ų56.125%0.24527%0.274CS..  trans-75.8148.1166.675.10000110.8R675 S679 Q680 T681R675-S677 PolarHBondContact O-N 2.99Å; S677-S679 PolarHBondContact O-N 3.01Å; S677-S679 PolarHBondContact OG-OG 3.06Å; S677-Q680 PolarHBondContact O-N 3.4Å; S677-Q680 WeakPolarHBondContact OG-CB 3.25Å; S677-Q680 WeakPolarHBondContact OG-CG 3.46Å; S677-Q680 PolarHBondContact OG-N 3.41Å; S677-Q680 PolarHBondContact OG-OE1 3.16Å; S677-T681 PolarHBondContact O-N 3.04Å; S677-T681 PolarHBondContact O-OG1 2.77Å
678K65.4Low78.9Confident214 Ų21449.8 Ų49.893%0.9325%0.252SS*.THydrogen-bonded Turntrans-54.8-26.6-178.1-78.6-173.6177.2-179.70114.1
679S63.3Low78.5Confident103 Ų10355.7 Ų55.772%0.7227%0.271SS*.THydrogen-bonded Turntrans-85.8-25.2178.953.50000113.8S677S677-S679 PolarHBondContact O-N 3.01Å; S677-S679 PolarHBondContact OG-OG 3.06Å
680Q65Low77.9Confident88 Ų8855.7 Ų55.741%0.41127%0.271SS..THydrogen-bonded Turntrans-99.6-15-174.2-68.5167.2-39.500113.8S677 N682 T683 L684S677-Q680 PolarHBondContact O-N 3.4Å; S677-Q680 WeakPolarHBondContact OG-CB 3.25Å; S677-Q680 WeakPolarHBondContact OG-CG 3.46Å; S677-Q680 PolarHBondContact OG-N 3.41Å; S677-Q680 PolarHBondContact OG-OE1 3.16Å; Q680-N682 VanDerWaalsContact C-N 3.27Å; Q680-N682 PolarHBondContact O-N 3.45Å; Q680-N682 VanDerWaalsContact O-N 3.14Å; Q680-T683 WeakPolarHBondContact O-CB 3.48Å; Q680-T683 PolarHBondContact O-N 2.75Å; Q680-L684 PolarHBondContact O-N 3.09Å; Q680-L684 VanDerWaalsContact O-N 3.12Å
681T67.9Low77.5Confident30 Ų3055.4 Ų55.418%0.18427%0.269CS..Hα-helixtrans-54.5-38.7-173.5-19.40000113.8S677 L684 F685S677-T681 PolarHBondContact O-N 3.04Å; S677-T681 PolarHBondContact O-OG1 2.77Å; T681-L684 PolarHBondContact O-N 3.36Å; T681-F685 HydrophobicContact CG2-CD2 3.99Å; T681-F685 HydrophobicContact CG2-CE2 3.59Å; T681-F685 HydrophobicContact CG2-CZ 4.45Å; T681-F685 VanDerWaalsContact O-CD2 3.31Å; T681-F685 WeakPolarHBondContact O-CD2 3.48Å; T681-F685 PolarHBondContact O-N 3.19Å
682N68.2Low77.2Confident137 Ų13758.4 Ų58.473%0.73329%0.29SS*.Hα-helixtrans-68.7-36.8179.6-71.8-19.5000113Q680 L684 R686Q680-N682 VanDerWaalsContact C-N 3.27Å; Q680-N682 PolarHBondContact O-N 3.45Å; Q680-N682 VanDerWaalsContact O-N 3.14Å; N682-L684 VanDerWaalsContact C-N 3.27Å; N682-R686 WeakPolarHBondContact O-CB 3.41Å; N682-R686 PolarHBondContact O-N 3.44Å
683T66.2Low76.9Confident48 Ų4859.6 Ų59.629%0.29431%0.305SS..Hα-helixtrans-64.8-37.2172.7-62.90000110.2Q680 R686 E687Q680-T683 WeakPolarHBondContact O-CB 3.48Å; Q680-T683 PolarHBondContact O-N 2.75Å; T683-R686 WeakPolarHBondContact O-CB 3.48Å; T683-R686 PolarHBondContact O-N 2.75Å; T683-E687 PolarHBondContact O-N 2.98Å
684L72.6Confident76.8Confident8 Ų860 Ų604%0.04231%0.308CS..Hα-helixtrans-77.2-42.2-176.7-150.179000114.3V674 Q680 T681 N682 R686 E687 I688 I907V674-L684 HydrophobicContact CB-CD1 3.85Å; V674-L684 HydrophobicContact CB-CD2 3.78Å; V674-L684 HydrophobicContact CB-CG 4.45Å; V674-L684 HydrophobicContact CG1-CD1 3.3Å; V674-L684 HydrophobicContact CG1-CD2 3.68Å; V674-L684 HydrophobicContact CG1-CG 4.12Å; V674-L684 HydrophobicContact CG2-CD1 4.04Å; Q680-L684 PolarHBondContact O-N 3.09Å; Q680-L684 VanDerWaalsContact O-N 3.12Å; T681-L684 PolarHBondContact O-N 3.36Å; N682-L684 VanDerWaalsContact C-N 3.27Å; L684-R686 PolarHBondContact O-N 3.49Å; L684-E687 WeakPolarHBondContact O-CB 3.5Å; L684-E687 PolarHBondContact O-N 2.98Å; L684-I688 WeakPolarHBondContact O-CG1 3.48Å; L684-I688 PolarHBondContact O-N 3.19Å; L684-I907 HydrophobicContact CD2-CB 3.49Å; L684-I907 VanDerWaalsContact CD2-CB 3.49Å; L684-I907 HydrophobicContact CD2-CD1 3.81Å; L684-I907 HydrophobicContact CD2-CG1 4.17Å; L684-I907 HydrophobicContact CD2-CG2 3.66Å
685F78.5Confident76.9Confident79 Ų7965.9 Ų65.935%0.34633%0.334SS..Hα-helixtrans-61.1-25.5170.1-75.9-57.6000111.9T681 I688 R689 I907T681-F685 HydrophobicContact CG2-CD2 3.99Å; T681-F685 HydrophobicContact CG2-CE2 3.59Å; T681-F685 HydrophobicContact CG2-CZ 4.45Å; T681-F685 VanDerWaalsContact O-CD2 3.31Å; T681-F685 WeakPolarHBondContact O-CD2 3.48Å; T681-F685 PolarHBondContact O-N 3.19Å; F685-I688 HydrophobicContact CD1-CD1 4.06Å; F685-R689 WeakPolarHBondContact O-CB 3.36Å; F685-R689 WeakPolarHBondContact O-CD 3.38Å; F685-R689 WeakPolarHBondContact O-CG 3.32Å; F685-R689 PolarHBondContact O-N 3.1Å; F685-R689 VanDerWaalsContact O-N 3.08Å; F685-I907 HydrophobicContact CE1-CD1 4.02Å; F685-I907 HydrophobicContact CZ-CD1 4.01Å
686R73.4Confident77.3Confident75 Ų7562.7 Ų62.728%0.28333%0.325SS..Hα-helixtrans-71.1-43.9170.7-166.5-177.173.4-126.3-5.8111.8N682 T683 L684 T690 A980N682-R686 WeakPolarHBondContact O-CB 3.41Å; N682-R686 PolarHBondContact O-N 3.44Å; T683-R686 WeakPolarHBondContact O-CB 3.48Å; T683-R686 PolarHBondContact O-N 2.75Å; L684-R686 PolarHBondContact O-N 3.49Å; R686-T690 VanDerWaalsContact O-CB 3.23Å; R686-T690 WeakPolarHBondContact O-CB 3.11Å; R686-T690 PolarHBondContact O-N 3.45Å; R686-T690 PolarHBondContact O-OG1 3.16Å; R686-A980 VanDerWaalsContact CZ-O 3.29Å; R686-A980 PolarHBondContact NE-O 3.22Å; R686-A980 PolarHBondContact NH2-O 3.15Å
687E79.5Confident78Confident3 Ų368.3 Ų68.31%0.01435%0.348CS..Hα-helixtrans-55.7-53.6172.5177.2172.3-167.400110.6K672 T683 L684 R689 T690 L691 F977 G978K672-E687 VanDerWaalsContact NZ-CD 3.27Å; K672-E687 IonicContact NZ-OE1 3.83Å; K672-E687 PolarHBondContact NZ-OE1 2.94Å; K672-E687 IonicContact NZ-OE2 3.76Å; K672-E687 PolarHBondContact NZ-OE2 3.31Å; K672-E687 VanDerWaalsContact NZ-OE2 3.12Å; T683-E687 PolarHBondContact O-N 2.98Å; L684-E687 WeakPolarHBondContact O-CB 3.5Å; L684-E687 PolarHBondContact O-N 2.98Å; E687-R689 PolarHBondContact O-N 2.88Å; E687-T690 WeakPolarHBondContact O-CB 3.27Å; E687-T690 PolarHBondContact O-N 3.49Å; E687-T690 VanDerWaalsContact O-N 3.17Å; E687-L691 WeakPolarHBondContact O-CB 3.41Å; E687-L691 PolarHBondContact O-N 3.23Å; E687-F977 HydrophobicContact CG-CB 4.3Å; E687-G978 VanDerWaalsContact CD-CA 3.49Å; E687-G978 PolarHBondContact OE1-N 3.47Å; E687-G978 WeakPolarHBondContact OE2-CA 3.16Å
688I83.8Confident79.1Confident15 Ų1567.2 Ų67.28%0.07734%0.339CS..Hα-helixtrans-55.4-55.8179.7-62.2164.1000111.5L684 F685 T690 L691 S692 Y702 S705 I907 I909L684-I688 WeakPolarHBondContact O-CG1 3.48Å; L684-I688 PolarHBondContact O-N 3.19Å; F685-I688 HydrophobicContact CD1-CD1 4.06Å; I688-T690 PolarHBondContact O-N 2.85Å; I688-L691 PolarHBondContact O-N 3.06Å; I688-S692 VanDerWaalsContact O-CB 3.27Å; I688-S692 WeakPolarHBondContact O-CB 3.42Å; I688-S692 PolarHBondContact O-N 3.5Å; I688-S692 PolarHBondContact O-OG 3.48Å; I688-Y702 HydrophobicContact CG2-CE2 4.19Å; I688-S705 VanDerWaalsContact CG2-OG 3.26Å; I688-S705 WeakPolarHBondContact CG2-OG 3.19Å; I688-I907 HydrophobicContact CD1-CD1 4.41Å; I688-I907 HydrophobicContact CD1-CG2 3.57Å; I688-I907 HydrophobicContact CG1-CG2 4.42Å; I688-I909 HydrophobicContact CG1-CD1 4.02Å; I688-I909 HydrophobicContact CG1-CG1 4.37Å
689R83.6Confident80.4Confident166 Ų16657.1 Ų57.163%0.62630%0.295SS*.Hα-helixtrans-66-20.3-177.7-70.7173.1-174.5160.42.6113.7F685 E687F685-R689 WeakPolarHBondContact O-CB 3.36Å; F685-R689 WeakPolarHBondContact O-CD 3.38Å; F685-R689 WeakPolarHBondContact O-CG 3.32Å; F685-R689 PolarHBondContact O-N 3.1Å; F685-R689 VanDerWaalsContact O-N 3.08Å; E687-R689 PolarHBondContact O-N 2.88Å
690T82.6Confident81.8Confident4 Ų452.3 Ų52.33%0.02526%0.261CS..Hα-helixtrans-77.9-58.4173-58.80000108.7R686 E687 I688 S692 G693 L694 V954 F977 A980R686-T690 VanDerWaalsContact O-CB 3.23Å; R686-T690 WeakPolarHBondContact O-CB 3.11Å; R686-T690 PolarHBondContact O-N 3.45Å; R686-T690 PolarHBondContact O-OG1 3.16Å; E687-T690 WeakPolarHBondContact O-CB 3.27Å; E687-T690 PolarHBondContact O-N 3.49Å; E687-T690 VanDerWaalsContact O-N 3.17Å; I688-T690 PolarHBondContact O-N 2.85Å; T690-S692 PolarHBondContact O-N 2.91Å; T690-G693 PolarHBondContact O-N 2.86Å; T690-G693 VanDerWaalsContact O-N 3.09Å; T690-L694 HydrophobicContact CG2-CD1 4.22Å; T690-L694 WeakPolarHBondContact O-CG 3.42Å; T690-V954 HydrophobicContact CG2-CB 4.25Å; T690-V954 HydrophobicContact CG2-CG1 3.34Å; T690-V954 HydrophobicContact CG2-CG2 3.8Å; T690-F977 HydrophobicContact CG2-CD1 4.29Å; T690-A980 HydrophobicContact CG2-CB 3.93Å
691L84.5Confident83.1Confident2 Ų253.1 Ų53.11%0.0126%0.261CS..Hα-helixtrans-63.1-37.6-176-165.769.1000112.8E687 I688 G693 L694 V700 Y702 M911 F977E687-L691 WeakPolarHBondContact O-CB 3.41Å; E687-L691 PolarHBondContact O-N 3.23Å; I688-L691 PolarHBondContact O-N 3.06Å; L691-G693 PolarHBondContact O-N 2.81Å; L691-G693 VanDerWaalsContact O-N 3.16Å; L691-L694 PolarHBondContact O-N 3.48Å; L691-L694 VanDerWaalsContact O-N 3.08Å; L691-V700 HydrophobicContact CD1-CG1 4.37Å; L691-Y702 HydrophobicContact CD2-CD2 4.13Å; L691-Y702 HydrophobicContact CG-CD2 4.44Å; L691-M911 HydrophobicContact CD2-SD 4.22Å; L691-F977 HydrophobicContact CD1-CD2 3.46Å; L691-F977 VanDerWaalsContact CD1-CD2 3.46Å; L691-F977 HydrophobicContact CD1-CE2 3.67Å; L691-F977 HydrophobicContact CD1-CG 3.96Å; L691-F977 HydrophobicContact CD1-CZ 4.32Å
692S85.9Confident84.2Confident63 Ų6353.9 Ų53.944%0.44126%0.26SS..THydrogen-bonded Turntrans-66.8-13.9177.276.50000114.2I688 T690 Y702I688-S692 VanDerWaalsContact O-CB 3.27Å; I688-S692 WeakPolarHBondContact O-CB 3.42Å; I688-S692 PolarHBondContact O-N 3.5Å; I688-S692 PolarHBondContact O-OG 3.48Å; T690-S692 PolarHBondContact O-N 2.91Å; S692-Y702 VanDerWaalsContact CB-CE1 3.49Å
693G84.2Confident85.4Confident37 Ų3750.4 Ų50.438%0.38124%0.239SC..THydrogen-bonded Turntrans-99.7317500000113.9T690 L691T690-G693 PolarHBondContact O-N 2.86Å; T690-G693 VanDerWaalsContact O-N 3.09Å; L691-G693 PolarHBondContact O-N 2.81Å; L691-G693 VanDerWaalsContact O-N 3.16Å
694L88.5Confident86.7Confident9 Ų950.3 Ų50.35%0.04724%0.238CC..  trans-112.4118.4-177.5-62.9173.9000110.2T690 L691 I699 Y948 I949 K952 V954 F977T690-L694 HydrophobicContact CG2-CD1 4.22Å; T690-L694 WeakPolarHBondContact O-CG 3.42Å; L691-L694 PolarHBondContact O-N 3.48Å; L691-L694 VanDerWaalsContact O-N 3.08Å; L694-I699 HydrophobicContact CB-CD1 4.38Å; L694-I699 HydrophobicContact CB-CG2 4.47Å; L694-Y948 HydrophobicContact CB-CE1 4.31Å; L694-Y948 HydrophobicContact CD2-CD1 4.1Å; L694-Y948 HydrophobicContact CD2-CE1 3.74Å; L694-I949 HydrophobicContact CD1-CG1 4.35Å; L694-K952 HydrophobicContact CD2-CB 3.91Å; L694-K952 HydrophobicContact CD2-CG 3.85Å; L694-V954 HydrophobicContact CD2-CG2 4.43Å; L694-F977 HydrophobicContact CD1-CD1 3.87Å; L694-F977 HydrophobicContact CD1-CE1 3.27Å; L694-F977 HydrophobicContact CD1-CZ 3.8Å
695Q89Confident87.5Confident128 Ų12851.2 Ų51.260%0.59825%0.246SC*.  trans-138100.2175.9-175172.3-28.300108.8R701 Y948Q695-R701 VanDerWaalsContact CD-NH1 3.32Å; Q695-Y948 PolarHBondContact N-OH 2.76Å; Q695-Y948 VanDerWaalsContact N-OH 3.1Å; Q695-Y948 WeakPolarHBondContact O-CE2 3.23Å; Q695-Y948 PolarHBondContact O-OH 2.93Å
696H93.2Very high88.2Confident52 Ų5248.8 Ų48.824%0.24123%0.234CC..  trans-142.4158.2179.8-161.6-107.3000109.5N698 I699 D944 Y948H696-N698 VanDerWaalsContact C-N 3.34Å; H696-N698 PolarHBondContact ND1-N 2.93Å; H696-N698 PolarHBondContact O-N 3.48Å; H696-I699 HydrophobicContact CB-CB 4.25Å; H696-I699 HydrophobicContact CB-CD1 3.64Å; H696-I699 HydrophobicContact CB-CG1 3.9Å; H696-I699 PolarHBondContact O-N 2.92Å; H696-D944 IonicContact CE1-OD2 2.65Å; H696-D944 PolarHBondContact CE1-OD2 3.14Å; H696-D944 IonicContact NE2-OD2 3.55Å; H696-Y948 HydrophobicContact CB-CD1 3.92Å; H696-Y948 HydrophobicContact CB-CD2 4.09Å; H696-Y948 HydrophobicContact CB-CE1 4.2Å; H696-Y948 HydrophobicContact CB-CE2 4.32Å; H696-Y948 HydrophobicContact CB-CG 3.87Å; H696-Y948 AromaticContact CD2-CD2 3.36Å; H696-Y948 WeakPolarHBondContact CD2-CD2 3.25Å; H696-Y948 AromaticContact CD2-CE2 3.97Å; H696-Y948 AromaticContact CD2-CG 3.71Å; H696-Y948 AromaticContact CG-CD2 3.92Å; H696-Y948 AromaticContact CG-CG 3.82Å
697E91.4Very high88.9Confident139 Ų13950.1 Ų50.165%0.6524%0.243SC*.THydrogen-bonded Turntrans-64.2-41.5179.3-170.2159.7-168.200111.4I699 K973E697-I699 VanDerWaalsContact C-N 3.34Å; E697-I699 PolarHBondContact O-N 3.14Å; E697-K973 WeakPolarHBondContact O-CD 3.46Å; E697-K973 WeakPolarHBondContact O-CE 3.24Å; E697-K973 PolarHBondContact O-NZ 3.17Å
698N94.6Very high89.4Confident11 Ų1150.3 Ų50.36%0.05925%0.245CC..THydrogen-bonded Turntrans-88.418.3-178.9-46.3105.8000116.1H696 E941 V972 I974H696-N698 VanDerWaalsContact C-N 3.34Å; H696-N698 PolarHBondContact ND1-N 2.93Å; H696-N698 PolarHBondContact O-N 3.48Å; N698-E941 PolarHBondContact ND2-OE2 3.3Å; N698-V972 WeakPolarHBondContact CA-O 3.43Å; N698-V972 WeakPolarHBondContact CB-O 3.45Å; N698-V972 PolarHBondContact ND2-O 3Å; N698-I974 PolarHBondContact O-N 3.39Å
699I93.6Very high89.6Confident2 Ų251.6 Ų51.61%0.0125%0.253CS..BIsolated β-bridgetrans-124.9139.8175.4-58.8170.8000107.6L694 H696 E697 R701 Y948 I949 F977L694-I699 HydrophobicContact CB-CD1 4.38Å; L694-I699 HydrophobicContact CB-CG2 4.47Å; H696-I699 HydrophobicContact CB-CB 4.25Å; H696-I699 HydrophobicContact CB-CD1 3.64Å; H696-I699 HydrophobicContact CB-CG1 3.9Å; H696-I699 PolarHBondContact O-N 2.92Å; E697-I699 VanDerWaalsContact C-N 3.34Å; E697-I699 PolarHBondContact O-N 3.14Å; I699-R701 PolarHBondContact O-N 3.28Å; I699-Y948 HydrophobicContact CD1-CD1 3.59Å; I699-Y948 HydrophobicContact CD1-CE1 4.17Å; I699-Y948 HydrophobicContact CD1-CG 4.4Å; I699-I949 HydrophobicContact CD1-CD1 4.05Å; I699-I949 HydrophobicContact CD1-CG1 3.55Å; I699-I949 HydrophobicContact CG1-CD1 4.3Å; I699-I949 HydrophobicContact CG1-CG1 4.33Å; I699-F977 HydrophobicContact CG2-CE2 3.94Å; I699-F977 HydrophobicContact CG2-CZ 3.79Å
700V92.1Very high89.6Confident3 Ų344 Ų442%0.01823%0.225CC..PPolyproline II helixtrans-59.3124.2176.570.40000110.9L691 Y702 M911 E912 I974 V975L691-V700 HydrophobicContact CD1-CG1 4.37Å; V700-Y702 PolarHBondContact O-N 3.3Å; V700-M911 HydrophobicContact CG2-CB 4.16Å; V700-E912 HydrophobicContact CG2-CB 3.89Å; V700-E912 WeakPolarHBondContact CG2-O 3.47Å; V700-I974 WeakPolarHBondContact CG1-O 3.24Å; V700-I974 PolarHBondContact N-O 3.41Å; V700-V975 HydrophobicContact CB-CG1 3.75Å; V700-V975 HydrophobicContact CG1-CB 4.33Å; V700-V975 HydrophobicContact CG1-CG1 3.88Å; V700-V975 HydrophobicContact CG2-CG1 4.19Å
701R91Very high89.6Confident104 Ų10447 Ų4739%0.39224%0.243SC..PPolyproline II helixtrans-70.8122.7-177.4-175.6178.5-178.887.47.3111Q695 I699 F703 M911 E912Q695-R701 VanDerWaalsContact CD-NH1 3.32Å; I699-R701 PolarHBondContact O-N 3.28Å; R701-F703 HydrophobicContact CB-CE2 4.15Å; R701-F703 HydrophobicContact CB-CZ 4.37Å; R701-F703 HydrophobicContact CG-CE1 4.44Å; R701-F703 HydrophobicContact CG-CE2 4.01Å; R701-F703 HydrophobicContact CG-CZ 3.96Å; R701-F703 WeakPolarHBondContact O-CD2 3.22Å; R701-F703 WeakPolarHBondContact O-CE2 3.39Å; R701-M911 CarbonylContact O-C 3.56Å; R701-M911 VanDerWaalsContact O-CA 3.3Å; R701-M911 WeakPolarHBondContact O-CA 3.44Å; R701-E912 HydrophobicContact CB-CB 4.01Å; R701-E912 WeakPolarHBondContact CB-OE2 3.42Å; R701-E912 PolarHBondContact N-OE2 2.96Å; R701-E912 PolarHBondContact O-N 2.89Å
702Y92.5Very high89.4Confident46 Ų4649.6 Ų49.618%0.1826%0.255CS..EExtended strand (participates in β ladder)trans-78.9138.3165169.2-82.7000110.3I688 L691 S692 V700 S705 I909I688-Y702 HydrophobicContact CG2-CE2 4.19Å; L691-Y702 HydrophobicContact CD2-CD2 4.13Å; L691-Y702 HydrophobicContact CG-CD2 4.44Å; S692-Y702 VanDerWaalsContact CB-CE1 3.49Å; V700-Y702 PolarHBondContact O-N 3.3Å; Y702-S705 PolarHBondContact OH-N 3.41Å; Y702-S705 VanDerWaalsContact OH-N 3.16Å; Y702-S705 PolarHBondContact OH-OG 2.68Å; Y702-I909 HydrophobicContact CD2-CG2 3.76Å; Y702-I909 HydrophobicContact CE2-CG2 3.9Å
703F92.2Very high89.2Confident64 Ų6449.2 Ų49.228%0.28125%0.251SS..EExtended strand (participates in β ladder)trans-107.4-58.2174.4-66.9-92.2000110.9Y669 R701 Q910 E912Y669-F703 HydrophobicContact CD1-CD2 4.02Å; Y669-F703 AromaticContact CD1-CE2 3.97Å; Y669-F703 HydrophobicContact CD1-CE2 3.97Å; Y669-F703 HydrophobicContact CD1-CZ 4.49Å; Y669-F703 HydrophobicContact CE1-CD1 4.13Å; Y669-F703 AromaticContact CE1-CD2 3.74Å; Y669-F703 HydrophobicContact CE1-CD2 3.74Å; Y669-F703 AromaticContact CE1-CE1 3.95Å; Y669-F703 HydrophobicContact CE1-CE1 3.95Å; Y669-F703 AromaticContact CE1-CE2 3.56Å; Y669-F703 HydrophobicContact CE1-CE2 3.56Å; Y669-F703 HydrophobicContact CE1-CG 4.04Å; Y669-F703 AromaticContact CE1-CZ 3.66Å; Y669-F703 HydrophobicContact CE1-CZ 3.66Å; R701-F703 HydrophobicContact CB-CE2 4.15Å; R701-F703 HydrophobicContact CB-CZ 4.37Å; R701-F703 HydrophobicContact CG-CE1 4.44Å; R701-F703 HydrophobicContact CG-CE2 4.01Å; R701-F703 HydrophobicContact CG-CZ 3.96Å; R701-F703 WeakPolarHBondContact O-CD2 3.22Å; R701-F703 WeakPolarHBondContact O-CE2 3.39Å; F703-Q910 HydrophobicContact CB-CB 4.37Å; F703-Q910 HydrophobicContact CB-CG 4.01Å; F703-Q910 HydrophobicContact CD2-CG 4.47Å; F703-Q910 PolarHBondContact N-O 3.21Å; F703-E912 HydrophobicContact CE2-CB 4.09Å
704T93.1Very high89Confident46 Ų4648.2 Ų48.228%0.28224%0.237SC..EExtended strand (participates in β ladder)trans-161.3172.3179.2-166.40000111.7W706 Q910T704-W706 HydrophobicContact CG2-CE3 4.01Å; T704-W706 HydrophobicContact CG2-CZ3 3.82Å; T704-Q910 HydrophobicContact CG2-CB 4.28Å; T704-Q910 PolarHBondContact O-N 2.97Å
705S91.3Very high88.3Confident28 Ų2849.6 Ų49.620%0.19625%0.247CC..EExtended strand (participates in β ladder)trans-147.9154.1171.857.90000111.4I688 Y702 I908I688-S705 VanDerWaalsContact CG2-OG 3.26Å; I688-S705 WeakPolarHBondContact CG2-OG 3.19Å; Y702-S705 PolarHBondContact OH-N 3.41Å; Y702-S705 VanDerWaalsContact OH-N 3.16Å; Y702-S705 PolarHBondContact OH-OG 2.68Å; S705-I908 CarbonylContact C-O 3.56Å; S705-I908 WeakPolarHBondContact CA-O 3.34Å; S705-I908 WeakPolarHBondContact CB-O 3.49Å
706W91.8Very high87.5Confident28 Ų2844.7 Ų44.711%0.10622%0.224CC..EExtended strand (participates in β ladder)trans-149175.3179.262.793.3000110.6R638 L639 F643 T704 D708 I907 I908 Q910R638-W706 HydrophobicContact CB-CG 4.47Å; R638-W706 HydrophobicContact CG-CD2 4.44Å; R638-W706 HydrophobicContact CG-CG 4.47Å; L639-W706 HydrophobicContact CD1-CZ2 4.5Å; F643-W706 HydrophobicContact CD2-CH2 4.31Å; F643-W706 HydrophobicContact CD2-CZ2 4.48Å; F643-W706 AromaticContact CE2-CH2 3.44Å; F643-W706 HydrophobicContact CE2-CH2 3.44Å; F643-W706 VanDerWaalsContact CE2-CH2 3.44Å; F643-W706 AromaticContact CE2-CZ2 3.98Å; F643-W706 HydrophobicContact CE2-CZ2 3.98Å; F643-W706 HydrophobicContact CE2-CZ3 4.37Å; F643-W706 AromaticContact CZ-CH2 3.99Å; F643-W706 HydrophobicContact CZ-CH2 3.99Å; T704-W706 HydrophobicContact CG2-CE3 4.01Å; T704-W706 HydrophobicContact CG2-CZ3 3.82Å; W706-D708 VanDerWaalsContact CD1-CG 3.43Å; W706-D708 VanDerWaalsContact NE1-CG 3.3Å; W706-D708 PolarHBondContact NE1-OD1 2.88Å; W706-D708 PolarHBondContact NE1-OD2 3.47Å; W706-I907 WeakPolarHBondContact O-CA 3.34Å; W706-I908 HydrophobicContact CD2-CB 4.04Å; W706-I908 HydrophobicContact CD2-CG2 4.36Å; W706-I908 HydrophobicContact CG-CB 4.4Å; W706-I908 HydrophobicContact CH2-CB 4.48Å; W706-I908 HydrophobicContact CH2-CG2 3.76Å; W706-I908 HydrophobicContact CZ2-CB 3.87Å; W706-I908 HydrophobicContact CZ2-CG2 3.33Å; W706-I908 HydrophobicContact CZ3-CG2 4.44Å; W706-I908 PolarHBondContact N-O 3.48Å; W706-I908 PolarHBondContact O-N 3.11Å; W706-Q910 HydrophobicContact CH2-CB 4.44Å; W706-Q910 HydrophobicContact CZ3-CB 4.07Å
707Q89.4Confident86Confident102 Ų10249.8 Ų49.848%0.47725%0.245SC..EExtended strand (participates in β ladder)trans-118.2126.4178.1-171.6-168.6-72.300110.5Y906 I907Q707-Y906 CarbonylContact C-O 3.37Å; Q707-Y906 WeakPolarHBondContact CA-O 3.42Å; Q707-Y906 WeakPolarHBondContact CG-O 3.33Å; Q707-I907 HydrophobicContact CB-CG1 4.18Å; Q707-I907 HydrophobicContact CG-CG1 4.08Å
708D89.3Confident84Confident8 Ų847.9 Ų47.94%0.04324%0.239CC..EExtended strand (participates in β ladder)trans-119.4157.1-179-79.1-16.3000111.3P637 R638 L639 W706 F710 R905 Y906 I908P637-D708 WeakPolarHBondContact CA-OD1 3.25Å; P637-D708 WeakPolarHBondContact CA-OD2 3.44Å; P637-D708 HydrophobicContact CB-CB 3.78Å; P637-D708 HydrophobicContact CG-CB 4.43Å; R638-D708 PolarHBondContact N-OD1 2.96Å; R638-D708 PolarHBondContact N-OD2 3.06Å; R638-D708 VanDerWaalsContact N-OD2 3.09Å; L639-D708 WeakPolarHBondContact CB-OD2 3.37Å; L639-D708 PolarHBondContact N-OD2 3.36Å; W706-D708 VanDerWaalsContact CD1-CG 3.43Å; W706-D708 VanDerWaalsContact NE1-CG 3.3Å; W706-D708 PolarHBondContact NE1-OD1 2.88Å; W706-D708 PolarHBondContact NE1-OD2 3.47Å; D708-F710 HydrophobicContact CB-CD2 4.24Å; D708-F710 HydrophobicContact CB-CE2 3.37Å; D708-F710 HydrophobicContact CB-CZ 3.85Å; D708-R905 WeakPolarHBondContact O-CA 3.43Å; D708-Y906 PolarHBondContact N-O 3.43Å; D708-Y906 PolarHBondContact O-N 3.28Å; D708-Y906 VanDerWaalsContact O-O 3.06Å; D708-I908 HydrophobicContact CB-CD1 4.48Å; D708-I908 HydrophobicContact CB-CG1 4.03Å; D708-I908 WeakPolarHBondContact OD2-CG1 3.48Å
709T87Confident82.4Confident41 Ų4148.2 Ų48.225%0.25224%0.241SC..EExtended strand (participates in β ladder)trans-130.5124.5178.2-51.60000110.5P637 E903 R905P637-T709 WeakPolarHBondContact CG-O 3.44Å; T709-E903 HydrophobicContact CG2-CB 3.84Å; T709-E903 HydrophobicContact CG2-CG 4Å; T709-R905 HydrophobicContact CG2-CG 3.94Å
710F84.6Confident80.2Confident7 Ų753.2 Ų53.23%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-118.1150.2-172.8-56-111.4000110P637 L639 F640 D708 E712 L714 Y904 Y906 I908P637-F710 HydrophobicContact CB-CD1 4.04Å; P637-F710 HydrophobicContact CB-CD2 4.49Å; P637-F710 HydrophobicContact CB-CE1 3.45Å; P637-F710 VanDerWaalsContact CB-CE1 3.45Å; P637-F710 HydrophobicContact CB-CE2 3.96Å; P637-F710 HydrophobicContact CB-CZ 3.4Å; P637-F710 HydrophobicContact CG-CD1 3.38Å; P637-F710 HydrophobicContact CG-CD2 3.97Å; P637-F710 HydrophobicContact CG-CE1 3.36Å; P637-F710 HydrophobicContact CG-CE2 3.94Å; P637-F710 HydrophobicContact CG-CG 3.68Å; P637-F710 HydrophobicContact CG-CZ 3.65Å; L639-F710 HydrophobicContact CB-CZ 4.35Å; L639-F710 HydrophobicContact CD2-CE1 4.14Å; L639-F710 HydrophobicContact CD2-CZ 3.95Å; F640-F710 HydrophobicContact CD2-CE1 4.35Å; F640-F710 HydrophobicContact CE2-CD1 4.12Å; F640-F710 AromaticContact CE2-CE1 3.53Å; F640-F710 HydrophobicContact CE2-CE1 3.53Å; F640-F710 HydrophobicContact CZ-CE1 4.16Å; D708-F710 HydrophobicContact CB-CD2 4.24Å; D708-F710 HydrophobicContact CB-CE2 3.37Å; D708-F710 HydrophobicContact CB-CZ 3.85Å; F710-E712 VanDerWaalsContact CB-O 3.29Å; F710-E712 WeakPolarHBondContact CB-O 3.28Å; F710-L714 HydrophobicContact CD1-CD1 4.27Å; F710-L714 HydrophobicContact CD1-CD2 3.96Å; F710-L714 HydrophobicContact CD1-CG 3.97Å; F710-L714 HydrophobicContact CE1-CD1 3.61Å; F710-L714 HydrophobicContact CE1-CD2 3.74Å; F710-L714 HydrophobicContact CE1-CG 3.78Å; F710-L714 HydrophobicContact CE2-CD1 3.99Å; F710-L714 HydrophobicContact CG-CG 4.44Å; F710-L714 HydrophobicContact CZ-CD1 3.47Å; F710-L714 VanDerWaalsContact CZ-CD1 3.47Å; F710-L714 HydrophobicContact CZ-CD2 4.47Å; F710-L714 HydrophobicContact CZ-CG 4.1Å; F710-Y904 PolarHBondContact N-O 3Å; F710-Y904 PolarHBondContact O-N 3.41Å; F710-Y906 AromaticContact CD2-CD2 3.58Å; F710-Y906 HydrophobicContact CD2-CD2 3.58Å; F710-Y906 HydrophobicContact CD2-CE2 4.3Å; F710-Y906 HydrophobicContact CD2-CG 4.26Å; F710-Y906 AromaticContact CE2-CD2 3.93Å; F710-Y906 HydrophobicContact CE2-CD2 3.93Å; F710-Y906 HydrophobicContact CE2-CG 4.15Å; F710-Y906 HydrophobicContact CG-CD2 4.4Å; F710-I908 HydrophobicContact CE2-CD1 4.28Å; F710-I908 HydrophobicContact CZ-CD1 4.21Å
711T81.8Confident77.7Confident66 Ų6655.8 Ų55.841%0.40529%0.291SS..SBendtrans-84.8-26.117449.60000113.5N601 V901 Y904N601-T711 WeakPolarHBondContact OD1-CB 3.47Å; N601-T711 WeakPolarHBondContact OD1-CG2 3.32Å; N601-T711 PolarHBondContact OD1-OG1 2.88Å; T711-V901 HydrophobicContact CG2-CG1 4.39Å; T711-Y904 WeakPolarHBondContact O-CD2 3.41Å; T711-Y904 WeakPolarHBondContact O-CE2 3.21Å
712E81.9Confident74.9Confident58 Ų5854 Ų5427%0.27129%0.294SS..SBendtrans-115.3149.5169.3-72-165.8-134.700110.5K602 F710 H716K602-E712 IonicContact NZ-OE1 2.74Å; F710-E712 VanDerWaalsContact CB-O 3.29Å; F710-E712 WeakPolarHBondContact CB-O 3.28Å; E712-H716 IonicContact OE1-CE1 3.8Å; E712-H716 PolarHBondContact OE1-CE1 3.06Å; E712-H716 IonicContact OE1-NE2 3.13Å; E712-H716 IonicContact OE2-CE1 3.11Å; E712-H716 PolarHBondContact OE2-CE1 3.34Å; E712-H716 IonicContact OE2-ND1 2.81Å; E712-H716 PolarHBondContact OE2-ND1 2.6Å
713P80.7Confident72Confident55 Ų5558.3 Ų58.336%0.35732%0.321SS..PPolyproline II helixtrans-71.713717828.3-33.1000112.4Y904 Y906P713-Y904 HydrophobicContact CB-CD1 3.79Å; P713-Y904 HydrophobicContact CB-CE1 3.85Å; P713-Y904 HydrophobicContact CB-CG 4.36Å; P713-Y904 HydrophobicContact CG-CD1 4.45Å; P713-Y904 HydrophobicContact CG-CE1 4.06Å; P713-Y906 WeakPolarHBondContact CA-OH 3.26Å
714L80.1Confident69.1Low16 Ų1665.7 Ų65.78%0.08435%0.347CS..SBendtrans-70.9148.1171.8-69.6179.6000112.9L639 F640 C673 F710 H716 M719 Y906L639-L714 HydrophobicContact CD2-CD1 3.93Å; F640-L714 HydrophobicContact CZ-CD2 4.42Å; C673-L714 HydrophobicContact CB-CD1 3.73Å; F710-L714 HydrophobicContact CD1-CD1 4.27Å; F710-L714 HydrophobicContact CD1-CD2 3.96Å; F710-L714 HydrophobicContact CD1-CG 3.97Å; F710-L714 HydrophobicContact CE1-CD1 3.61Å; F710-L714 HydrophobicContact CE1-CD2 3.74Å; F710-L714 HydrophobicContact CE1-CG 3.78Å; F710-L714 HydrophobicContact CE2-CD1 3.99Å; F710-L714 HydrophobicContact CG-CG 4.44Å; F710-L714 HydrophobicContact CZ-CD1 3.47Å; F710-L714 VanDerWaalsContact CZ-CD1 3.47Å; F710-L714 HydrophobicContact CZ-CD2 4.47Å; F710-L714 HydrophobicContact CZ-CG 4.1Å; L714-H716 HydrophobicContact CD2-CB 4.46Å; L714-M719 HydrophobicContact CD2-SD 3.84Å; L714-Y906 HydrophobicContact CB-CE1 3.96Å; L714-Y906 HydrophobicContact CB-CE2 4.39Å; L714-Y906 HydrophobicContact CD1-CD1 4.34Å; L714-Y906 HydrophobicContact CD1-CE1 4.47Å; L714-Y906 HydrophobicContact CD1-CG 4.46Å; L714-Y906 HydrophobicContact CG-CE2 4.45Å; L714-Y906 PolarHBondContact N-OH 3.36Å; L714-Y906 PolarHBondContact O-OH 2.99Å
715P74.7Confident66.2Low38 Ų3869 Ų6925%0.24736%0.362CS..SBendcis-74130.3-6.930.2-33.1000111L648 C656 M719L648-P715 HydrophobicContact CD1-CG 4.32Å; L648-P715 HydrophobicContact CD2-CG 4.34Å; C656-P715 HydrophobicContact CB-CG 4.47Å; P715-M719 HydrophobicContact CB-SD 4.24Å
716H70.4Confident63.4Low25 Ų2576.7 Ų76.712%0.11639%0.392CS..PPolyproline II helixtrans-79.6131.9-178.1-176.34.4000109.6E712 L714 N718 M719E712-H716 IonicContact OE1-CE1 3.8Å; E712-H716 PolarHBondContact OE1-CE1 3.06Å; E712-H716 IonicContact OE1-NE2 3.13Å; E712-H716 IonicContact OE2-CE1 3.11Å; E712-H716 PolarHBondContact OE2-CE1 3.34Å; E712-H716 IonicContact OE2-ND1 2.81Å; E712-H716 PolarHBondContact OE2-ND1 2.6Å; L714-H716 HydrophobicContact CD2-CB 4.46Å; H716-N718 PolarHBondContact ND1-N 3.19Å; H716-N718 PolarHBondContact O-N 2.98Å; H716-M719 HydrophobicContact CB-CG 4.29Å; H716-M719 WeakPolarHBondContact O-CB 3.46Å; H716-M719 PolarHBondContact O-N 2.7Å
717K62.1Low60.4Low158 Ų15882.5 Ų82.569%0.68742%0.418SS*.THydrogen-bonded Turntrans-53.2-9172.931.8174.8171.7170.30116
718N49.7Very low57.4Low100 Ų10088.4 Ų88.454%0.53544%0.437SS..THydrogen-bonded Turntrans-109.67.9175.6-6630.3000113.5H716H716-N718 PolarHBondContact ND1-N 3.19Å; H716-N718 PolarHBondContact O-N 2.98Å
719M62.1Low54.3Low17 Ų1793.2 Ų93.28%0.08446%0.462CS..SBendtrans-61.8145.2170.2-78.6172.260.800110.3F640 F646 L658 L714 P715 H716 C721F640-M719 HydrophobicContact CE1-CG 4.24Å; F640-M719 HydrophobicContact CZ-CG 4.14Å; F646-M719 HydrophobicContact CB-CE 3.49Å; F646-M719 VanDerWaalsContact CB-CE 3.49Å; F646-M719 HydrophobicContact CD1-CE 4.02Å; F646-M719 HydrophobicContact CG-CE 3.84Å; L658-M719 HydrophobicContact CD1-CE 3.58Å; L658-M719 HydrophobicContact CD2-CE 3.85Å; L658-M719 HydrophobicContact CG-CE 4.31Å; L714-M719 HydrophobicContact CD2-SD 3.84Å; P715-M719 HydrophobicContact CB-SD 4.24Å; H716-M719 HydrophobicContact CB-CG 4.29Å; H716-M719 WeakPolarHBondContact O-CB 3.46Å; H716-M719 PolarHBondContact O-N 2.7Å; M719-C721 PolarHBondContact O-N 3.3Å
720P46.4Very low51.4Low108 Ų10899 Ų9970%0.70149%0.492SS*.SBendtrans-65.511.2-167.4-24.835.6000118.5
721C38.9Very low48.6Very low57 Ų57103.2 Ų103.239%0.38552%0.522SS..  trans-130.664.9-178.5-1560000110.9F646 M719F646-C721 WeakPolarHBondContact O-CB 3.2Å; M719-C721 PolarHBondContact O-N 3.3Å
722S32.8Very low45.9Very low66 Ų66108.9 Ų108.946%0.46254%0.541SS..  trans-95.80-172.755.50000115.1W724 N725S722-W724 VanDerWaalsContact C-N 3.25Å; S722-W724 PolarHBondContact O-N 2.62Å; S722-W724 VanDerWaalsContact O-N 3.17Å; S722-N725 PolarHBondContact O-N 3.48Å
723D32.6Very low43.2Very low137 Ų137115.8 Ų115.873%0.73357%0.566SS**THydrogen-bonded Turntrans-73.5-5.6-172.9-71.7-45.5000115.8
724W31.2Very low40.5Very low219 Ų219124.8 Ų124.883%0.8359%0.593SS**THydrogen-bonded Turntrans-88.2-13.2172.4-81.554000113.9S722 K726S722-W724 VanDerWaalsContact C-N 3.25Å; S722-W724 PolarHBondContact O-N 2.62Å; S722-W724 VanDerWaalsContact O-N 3.17Å; W724-K726 VanDerWaalsContact C-N 3.29Å; W724-K726 PolarHBondContact O-N 2.87Å
725N30.6Very low37.8Very low114 Ų114130.9 Ų130.961%0.6163%0.625SS**THydrogen-bonded Turntrans-83.810.5-177-80.5-8.4000115.1S722S722-N725 PolarHBondContact O-N 3.48Å
726K32.9Very low35.4Very low190 Ų190134.9 Ų134.983%0.82665%0.653SS**THydrogen-bonded Turntrans-96.64.8173.1-77.7-178.4179.4168.80115.2W724W724-K726 VanDerWaalsContact C-N 3.29Å; W724-K726 PolarHBondContact O-N 2.87Å
727K28.9Very low33.3Very low150 Ų150143.6 Ų143.665%0.65269%0.69SS**SBendtrans-121.1-7.2173.9-95.9-174.6175-179.70115.6
728W25.7Very low31.6Very low227 Ų227141.6 Ų141.686%0.8670%0.696SS**SBendtrans-133.923-170.7-95.766.4000115.2
729D25.7Very low30.4Very low109 Ų109143.5 Ų143.558%0.58371%0.712SS**  trans-147.973.2167.4-140.9-9000113.9
730D25.6Very low28.6Very low163 Ų163147.8 Ų147.887%0.87274%0.743SS**SBendtrans-147.252.3156.1-144.4-1.9000111.5
731S24.9Very low27.6Very low94 Ų94151.5 Ų151.566%0.65775%0.749SS**SBendtrans-178.348.4159.537.40000114.4
732K25.4Very low26.9Very low186 Ų186151 Ų15181%0.80975%0.745SS**SBendtrans-160.217.8161.8-118.1162.7-168.8-178.80120.2
733Y25.9Very low26.6Very low202 Ų202151.2 Ų151.279%0.79275%0.747SS**  trans-140.338.9174.3-102.6-75.2000116.7
734R23.8Very low26.3Very low244 Ų244149.3 Ų149.392%0.92173%0.733SS**SBendtrans-102.5134.2145.5-74.8-173.5-178.4176.92.6107.4
735N23.9Very low26.1Very low144 Ų144145 Ų14577%0.7773%0.727SS**SBendtrans76.6119.5-162-54.7-10.9000112.3
736C23.9Very low25.9Very low122 Ų122146 Ų14682%0.82473%0.732SS**  cis-136.5133.55.6-72.90000113.1
737K25.5Very low25.6Very low209 Ų209144.6 Ų144.691%0.90973%0.729SS**  trans-130.591.4154.1-101.2-166.2178-177.80108.3
738S26.6Very low25.5Very low116 Ų116144.6 Ų144.681%0.81173%0.731SS**  trans168.2100.8147.550.10000110.5
739T25.1Very low25.6Very low139 Ų139141.2 Ų141.285%0.85372%0.724SS**  trans-85.6138.1151.834.90000108.7
740S24.4Very low25.7Very low107 Ų107144 Ų14475%0.74873%0.734SS**  trans79.786.2177.175.90000118.2
741F26.3Very low25.7Very low187 Ų187144.4 Ų144.482%0.8273%0.731SS**  -159.6121.295.7-126.2-115.9000111
742C22.6Very low25.7Very low45 Ų45148.9 Ų148.930%0.30474%0.741SS.*  trans-65.9149.9154.9-45.50000107.9Q875 K876C742-Q875 VanDerWaalsContact CA-OE1 3.3Å; C742-Q875 HydrophobicContact CB-CB 3.93Å; C742-Q875 HydrophobicContact CB-CG 4.03Å; C742-Q875 VanDerWaalsContact SG-CD 3.51Å; C742-K876 HydrophobicContact CB-CD 3.73Å; C742-K876 HydrophobicContact CB-CG 3.9Å; C742-K876 PolarHBondContact O-NZ 3.23Å
743S27.7Very low25.6Very low71 Ų71143.5 Ų143.550%0.49774%0.738SS.*  cis-157.9178.226.642.90000111.2
744E25.1Very low25.5Very low97 Ų97145 Ų14545%0.45374%0.743SS.*  trans-49.5161.3165.7-68.4146.1156.400112.7N873E744-N873 PolarHBondContact OE1-ND2 3.38Å; E744-N873 PolarHBondContact OE2-ND2 2.76Å; E744-N873 VanDerWaalsContact OE2-ND2 3.08Å
745D28.5Very low25.6Very low130 Ų130138.9 Ų138.970%0.69573%0.732SS**  cis-149-178.126.1-133.4-41.2000114.7
746N25.5Very low25.9Very low135 Ų135137 Ų13772%0.72273%0.73SS**  trans-61.4159.1175-57.1-86.1000112.2
747E27.3Very low26.1Very low160 Ų160139.1 Ų139.175%0.74873%0.728SS**  -168.5151.672-90.9166.5175.300112.5
748E26.3Very low26.1Very low149 Ų149136.4 Ų136.470%0.69672%0.718SS**  trans57.5138.9137.3-62.4172.4178.200120
749E26.9Very low26Very low156 Ų156137.3 Ų137.373%0.72971%0.713SS**  cis-175.617613.5-124.7175.5175.900112
750E28.1Very low26.2Very low168 Ų168139.6 Ų139.679%0.78571%0.707SS**  trans67.383.2156-68.1-170.9157.600122.6
751E26Very low26.4Very low171 Ų171144.2 Ų144.280%0.79971%0.708SS**  44.9133.5101.3-65.3-155.2145.200124.8
752E24.2Very low26.8Very low189 Ų189143.1 Ų143.188%0.88371%0.711SS**  trans59.6153.9139.9-62.5-147.1148.400123.4
753G25Very low27.2Very low72 Ų72145.7 Ų145.774%0.74273%0.727SS**  trans166.5-10.516000000124.5
754R23.7Very low27Very low235 Ų235150 Ų15089%0.88774%0.743SS**  trans49.4115.4162.2-95.6179.7167.1149.9-2.7122.2
755T24.7Very low27Very low115 Ų115151 Ų15171%0.70676%0.756SS**  75.2107.8129.452.50000124.7
756S30.8Very low26.7Very low103 Ų103151.9 Ų151.972%0.7276%0.76SS**  73122.3115-53.10000123
757H27.7Very low26.8Very low167 Ų167154.4 Ų154.477%0.77376%0.764SS**  trans-168139.7135.3-108.5-77.2000114.8
758H26Very low26.8Very low152 Ų152151.7 Ų151.770%0.70476%0.763SS**  trans62.6135.3146.2-73.6-25.3000121.8
759L25Very low26.7Very low136 Ų136152.4 Ų152.471%0.71277%0.767SS**  cis-174.2167.234.7-118.1160.4000112.3
760Y29.2Very low26.8Very low187 Ų187153.7 Ų153.773%0.73377%0.77SS**  trans69136.6176.8-70.1-81.9000117.5
761R28.2Very low26.9Very low204 Ų204150.2 Ų150.277%0.7776%0.764SS**  cis-162.5140.3-9.9-160.1-177.3-157.5161.43110.1
762N35.4Very low26.7Very low164 Ų164147.1 Ų147.188%0.87776%0.76SS**  trans-133.4138.6157.8-98.5-15.5000108.2
763P30.7Very low26.7Very low98 Ų98143.2 Ų143.264%0.63675%0.751SS**  trans-121.4119.3166.332.1-17.4000113.4
764I22.9Very low26.5Very low162 Ų162144 Ų14483%0.83174%0.742SS**  34.8101.4123.3-53.4158.9000113.8
765T24.8Very low27.2Very low118 Ų118139.2 Ų139.272%0.72474%0.741SS**  -157.8162.269.948.80000111.7
766L23.2Very low27.1Very low149 Ų149138.3 Ų138.378%0.7874%0.735SS**  cis-160.7161.3-3-117.4165.1000110
767K26.9Very low26.8Very low187 Ų187141.5 Ų141.581%0.81374%0.739SS**  trans64.9131165.4-72.4-173.6178.71780121
768S27.4Very low26.8Very low104 Ų104141 Ų14173%0.72774%0.74SS**  trans74.690.8149.651.60000121.4
769Q24.6Very low26.6Very low164 Ų164139.5 Ų139.577%0.76674%0.737SS**  72123.3110.5-76.1-176.4-0.100120.6
770K29.3Very low26.9Very low182 Ų182138.8 Ų138.879%0.79174%0.738SS**  trans72.9150.7147.2-65.4172.3-177.6-179.90117.1
771S29.4Very low26.9Very low95 Ų95135 Ų13566%0.66474%0.735SS**  cis-172.9145.9-27.452.20000107.5
772C22.2Very low26.8Very low107 Ų107131.8 Ų131.872%0.72373%0.732SS**  trans-59.9150.3149-142.90000107.8T774C772-T774 PolarHBondContact SG-N 2.87Å
773P22.9Very low26.3Very low107 Ų107130 Ų13070%0.69572%0.723SS**  -130.2134.194.336-28.4000113.7
774T22.8Very low26.3Very low89 Ų89133.6 Ų133.655%0.54673%0.731SS.*  trans-19.3144.2134.441.80000114.9C772 T776C772-T774 PolarHBondContact SG-N 2.87Å; T774-T776 PolarHBondContact O-N 3.05Å
775P38.3Very low26.5Very low133 Ų133131.8 Ų131.886%0.86472%0.722SS**  trans-72.3117.2173.931-33.1000110.2
776T21.5Very low26.5Very low97 Ų97131.1 Ų131.160%0.59572%0.718SS**  trans-147.1126.1172.348.80000111.8T774T774-T776 PolarHBondContact O-N 3.05Å
777H23.9Very low26.6Very low170 Ų170131.9 Ų131.979%0.78772%0.718SS**  trans67.7129.5174.3-49.2-68.6000115.8
778I27.4Very low26.6Very low156 Ų156129.3 Ų129.380%0.871%0.712SS**  cis-107.9148.89.2-39.2-172.9000109.9
779N23.7Very low26.6Very low121 Ų121129.3 Ų129.365%0.64771%0.708SS**  trans-34.1149.8139.2-52.2-36.1000110.1
780T31.4Very low26.7Very low120 Ų120126.5 Ų126.574%0.73670%0.702SS**  -157120.575.228.30000106.7
781T28.5Very low26.5Very low107 Ų107125.3 Ų125.366%0.65670%0.704SS**  58.6112.491.569.10000110.5
782L25.1Very low26.3Very low138 Ų138124 Ų12472%0.72371%0.705SS**  95.2121.176.918071.3000108
783D25.2Very low26.5Very low127 Ų127126 Ų12668%0.67971%0.709SS**  trans57.2170.2166.4-49.3-19.7000114.1
784E30.1Very low26.7Very low172 Ų172127 Ų12780%0.80471%0.709SS**  cis-140.8169.514.2-75.6-177.3149.500108
785L28.2Very low26.8Very low124 Ų124131.5 Ų131.565%0.64972%0.721SS**  cis-157128.7-27.2-91.2160.2000101.8
786T25.1Very low26.2Very low104 Ų104130.2 Ų130.264%0.63871%0.707SS**  53.2136101.44.60000117.3
787E25.5Very low26.4Very low166 Ų166132.8 Ų132.878%0.77671%0.71SS**  trans76.5149.7145.9-61-171150.500120.1
788L25.7Very low26.4Very low132 Ų132134.8 Ų134.869%0.69171%0.71SS**  cis-168.9173.5-15.1-111.7172.1000111.2
789V27.1Very low26.4Very low105 Ų105134.3 Ų134.364%0.63671%0.708SS**  trans84.196.6136.9159.10000121.7
790T27.2Very low26.4Very low104 Ų104135 Ų13564%0.63871%0.71SS**  83136.6123.864.10000124.3
791N25.8Very low26.2Very low158 Ų158135.3 Ų135.385%0.84571%0.708SS**  trans56138.8137.5-53.3-8.6000119.1
792G24.9Very low26Very low66 Ų66136.6 Ų136.668%0.6871%0.711SS**  cis159.3147-0.700000110.8
793N25.5Very low26.1Very low149 Ų149134.9 Ų134.980%0.79771%0.71SS**  trans72.6127.6162.2-68.319.9000122
794D27.1Very low26Very low130 Ų130134.1 Ų134.170%0.69572%0.715SS**  104.2125.4127.2-73.9-23.7000124.8
795F26.2Very low25.9Very low183 Ų183131.9 Ų131.980%0.80372%0.718SS**  trans70.297.7145.7-85.1-105.9000123.9
796D25.8Very low25.9Very low106 Ų106134.1 Ų134.157%0.56773%0.725SS**  71.5108.4110.8-130.131000122.8
797K25.5Very low26.1Very low150 Ų150136 Ų13665%0.65273%0.729SS**  trans74.3126.6137.4-74.6174.9-171.887.40123.4
798R24.4Very low26.1Very low213 Ų213133.2 Ų133.280%0.80472%0.72SS**  90109.5126.1-85.4-179.9-179.9-178.80.1122
799I26.6Very low26.3Very low145 Ų145134 Ų13474%0.74473%0.725SS**  157.2113104.7-86.8148.9000115.7
800L24.5Very low26.3Very low135 Ų135134.5 Ų134.571%0.70772%0.72SS**  trans39.7136.7144.2-66.9109.1000127.3
801N25.7Very low26.1Very low128 Ų128135.5 Ų135.568%0.68473%0.732SS**  trans79.4138.9139.8-69.8-1000120.3
802N25.5Very low26.1Very low134 Ų134138 Ų13872%0.71773%0.73SS**  cis-155.2170.121.7-129-1.1000115.5
803S25.7Very low26Very low102 Ų102142.7 Ų142.771%0.71373%0.728SS**  trans76.9100.8155.139.80000123.8
804S23.9Very low26Very low111 Ų111143 Ų14378%0.77673%0.728SS**  63.9111.2125.265.20000123.6
805S28Very low25.9Very low124 Ų124140 Ų14087%0.86773%0.728SS**  -175175.797.244.40000112.2
806H28.5Very low25.9Very low171 Ų171138.3 Ų138.379%0.79273%0.732SS**  trans-90.9137.7-156.4-81.8-102.8000116.8
807I28.8Very low25.8Very low143 Ų143142.2 Ų142.273%0.73374%0.744SS**  49.9120.4126.9-56.2178000117.8
808N25.7Very low26.1Very low108 Ų108144.6 Ų144.658%0.57875%0.754SS**  cis39.6129.713.3-73.541.7000117.4
809D30.6Very low26.3Very low149 Ų149139.8 Ų139.880%0.79775%0.751SS**  cis-132.515133.2-54.3-58.1000112.3
810E26.6Very low26.2Very low115 Ų115138.4 Ų138.454%0.53775%0.75SS.*  cis80.29125.5-62.1-123.296.200116.7W812E810-W812 PolarHBondContact O-N 3.38Å; E810-W812 PolarHBondContact OE1-NE1 2.81Å; E810-W812 PolarHBondContact OE2-NE1 2.78Å
811S21.8Very low26.2Very low125 Ų125138.9 Ų138.987%0.87475%0.753SS**  trans-84.799.4165.258.60000111.4
812W26.1Very low26.2Very low212 Ų212138.5 Ų138.580%0.80376%0.755SS**  trans-106.2143.4179.4-83.454.5000114.6E810E810-W812 PolarHBondContact O-N 3.38Å; E810-W812 PolarHBondContact OE1-NE1 2.81Å; E810-W812 PolarHBondContact OE2-NE1 2.78Å
813Y23.8Very low26.1Very low163 Ų163137.6 Ų137.664%0.63975%0.754SS**  trans-122.8154.9-175.5-149-91.8000107.5
814I25.4Very low26Very low157 Ų157142.3 Ų142.381%0.80576%0.756SS**  trans134.3122.5147-70159.8000115.4
815G24Very low26.3Very low67 Ų67143.8 Ų143.869%0.69176%0.755SS**  trans85.6141.1132.400000118.3
816T26Very low26.2Very low146 Ų146143.8 Ų143.890%0.89674%0.741SS**  cis-151.2171.515.550.60000112.3
817K24.3Very low26Very low188 Ų188143.6 Ų143.682%0.81774%0.738SS**  trans-119.2146.1178-85.1-177.2177.41750112.6
818K32.6Very low25.9Very low200 Ų200145.7 Ų145.787%0.8774%0.743SS**  trans-33.3169168.6-57.3-178.4173.1-1720118.2
819P29Very low25.7Very low112 Ų112151.6 Ų151.673%0.72776%0.757SS**  -138.2146.3121.539.6-28.2000117.7
820T23.4Very low26.1Very low117 Ų117151.7 Ų151.772%0.71876%0.756SS**  trans47.1130.4140.160.50000122.5
821N25.2Very low26.1Very low144 Ų144152.4 Ų152.477%0.7777%0.77SS**  -171144.870.3-109.3-18.6000116.2
822V24.1Very low26.3Very low120 Ų120149.5 Ų149.573%0.72776%0.76SS**  trans73110.8131.8175.30000124
823V24Very low26.4Very low116 Ų116148.4 Ų148.470%0.70376%0.764SS**  trans91.5126135.7163.40000125.3
824R25.2Very low26.5Very low200 Ų200145.6 Ų145.676%0.75577%0.768SS**  trans71.1143.5153.4-84.2168.2-172.6143.90.3123.6
825N30.1Very low26.5Very low143 Ų143142.1 Ų142.177%0.76576%0.758SS**  trans-85.9153176.5-54.7-29.8000111.1
826H25.5Very low26.7Very low123 Ų123145.7 Ų145.757%0.56976%0.761SS**  -179160.9113.8-104.8-114.9000112.3D869H826-D869 VanDerWaalsContact CE1-CG 3.49Å; H826-D869 IonicContact CE1-OD1 2.65Å; H826-D869 PolarHBondContact CE1-OD1 2.67Å; H826-D869 IonicContact CE1-OD2 3.25Å; H826-D869 IonicContact CG-OD2 3.61Å; H826-D869 VanDerWaalsContact ND1-CG 3.32Å; H826-D869 IonicContact ND1-OD1 3.28Å; H826-D869 PolarHBondContact ND1-OD1 2.65Å; H826-D869 IonicContact ND1-OD2 2.71Å; H826-D869 PolarHBondContact ND1-OD2 3.15Å; H826-D869 IonicContact NE2-OD1 2.72Å
827F23.1Very low26.9Very low167 Ų167146.3 Ų146.373%0.73275%0.754SS**  trans-3.8126.4176.9-85.6-110.8000125.2
828F26.4Very low27.1Very low187 Ų187142.4 Ų142.482%0.8275%0.746SS**  33.3131.7121.5-76.6-80.4000124.3
829R23.3Very low27Very low233 Ų233141.2 Ų141.288%0.87974%0.743SS**  trans108.5137.5132.6-138.8173.9-165.7170.52.6118.1
830I37.2Very low27Very low151 Ų151142.9 Ų142.977%0.77474%0.741SS**  trans-43.3141.3176.5-56.8154.9000113.5
831P27.3Very low27.6Very low130 Ų130143.2 Ų143.284%0.84474%0.743SS**  trans-118.6133.7139.535-26.1000111.3
832G26.7Very low27.7Very low64 Ų64142.2 Ų142.266%0.6674%0.738SS**  trans-142.3128.2161.800000108.5
833E26.9Very low28Very low188 Ų188143.4 Ų143.488%0.87974%0.74SS**  trans-161.6114158-108.6165.5-157.100104.7
834S26.5Very low28.3Very low105 Ų105147.5 Ų147.573%0.73474%0.744SS**  101.1154.1102.485.80000109.4
835S26.3Very low28.4Very low84 Ų84143.1 Ų143.159%0.58775%0.745SS**  cis-162.3148.56.33.20000109.5
836D27.8Very low28.3Very low142 Ų142141.7 Ų141.776%0.75975%0.745SS**  trans68.1150144-49.9-25.5000119.9
837E29.5Very low28.4Very low159 Ų159141.9 Ų141.974%0.74376%0.761SS**  cis-158.9139.813.8-143.4163.5-147.800114
838T29.8Very low28.7Very low105 Ų105139.8 Ų139.864%0.64476%0.764SS**  trans55.7158.414853.70000122.9
839E29.8Very low28.7Very low175 Ų175137.5 Ų137.582%0.81877%0.766SS**  cis-132.3132.413.9-66178.4138.300111
840H29.8Very low28.9Very low148 Ų148131.6 Ų131.669%0.68576%0.76SS**  56.7138.595.4-60-60.9000117
841T34.8Very low28.2Very low124 Ų124132.3 Ų132.376%0.76177%0.765SS**  cis-146135.233.952.80000116.2
842N27.8Very low28.1Very low123 Ų123132.1 Ų132.166%0.65877%0.766SS**  trans30.7134.6136.2-49.8-2.5000121
843D30.7Very low27.9Very low144 Ų144134.8 Ų134.877%0.7777%0.773SS**  -158.3153.378.5-104.9-10000117.3
844Y29.2Very low27.9Very low202 Ų202130.5 Ų130.579%0.79276%0.764SS**  trans-24.5125.9174.4-60-97.7000121.4
845S27.4Very low27.8Very low109 Ų109136 Ų13676%0.76277%0.771SS**  162.1152.796.955.50000115.9
846S28.8Very low27.9Very low112 Ų112139.9 Ų139.978%0.78378%0.784SS**  trans64.788.1167.261.30000119.7
847S26.6Very low27.6Very low127 Ų127136.8 Ų136.889%0.88877%0.773SS**PPolyproline II helixtrans-69131.6172.6-39.80000113.9
848P30.8Very low27.6Very low123 Ų123135 Ų13580%0.79978%0.778SS**PPolyproline II helixtrans-90.6135.8164.833.4-30.6000112.4
849T26.2Very low27.4Very low140 Ų140135.5 Ų135.586%0.85978%0.777SS**PPolyproline II helixtrans-50.9135.9170.348.50000116
850S26.2Very low27.2Very low108 Ų108133.2 Ų133.276%0.75578%0.775SS**  trans-151.5119.9130.460.30000113.6
851L24.4Very low27Very low167 Ų167130.3 Ų130.387%0.87477%0.771SS**SBendtrans57.289.5149.6-66157.7000120.2
852S24.5Very low26.5Very low126 Ų126131.1 Ų131.188%0.88177%0.771SS**  170147.397.948.50000111.7
853C22.6Very low26.4Very low119 Ų119132.6 Ų132.680%0.80478%0.778SS**  trans-154.3153.6-179-166.90000112.2
854S26.8Very low26Very low99 Ų99129.8 Ų129.869%0.69277%0.769SS**  trans62.1126.8168.743.80000116.9
855Y23.5Very low25.9Very low221 Ų221125.2 Ų125.287%0.86776%0.763SS**  cis57.995.934.4-75.3-85.3000115.3
856L28.4Very low25.8Very low164 Ų164127.6 Ų127.686%0.85976%0.762SS**  trans173.3120.9132.7-97.7161.2000110.2
857S22.7Very low25.5Very low77 Ų77130 Ų13054%0.53876%0.759SS.*  trans-99.3173.5145.4-169.50000108D859S857-D859 VanDerWaalsContact C-N 3.27Å; S857-D859 PolarHBondContact N-OD1 3.03Å; S857-D859 PolarHBondContact O-N 3.46Å
858S28.9Very low25.4Very low122 Ų122132 Ų13285%0.85375%0.753SS**SBendtrans-68.8100.8136.7-40.30000104.6
859D25.9Very low25Very low115 Ų115130.4 Ų130.462%0.61574%0.739SS**  trans-65.2178.4-169.7-48.2-61.2000111.8S857S857-D859 VanDerWaalsContact C-N 3.27Å; S857-D859 PolarHBondContact N-OD1 3.03Å; S857-D859 PolarHBondContact O-N 3.46Å
860V26.3Very low25Very low128 Ų128130.5 Ų130.578%0.77673%0.734SS**  -161.914473.2-170.10000110.9
861S24.6Very low24.8Very low87 Ų87131.6 Ų131.661%0.60873%0.725SS**  trans56.9135.5154.261.40000122.5
862D23.7Very low24.8Very low141 Ų141129.5 Ų129.575%0.75471%0.714SS**  37.7128.7124-45-41.8000119.1
863L26.1Very low24.7Very low154 Ų154127.4 Ų127.481%0.80669%0.693SS**  -163.8137.757-112.9112.6000113.1
864S23.6Very low24.8Very low84 Ų84130 Ų13059%0.58770%0.699SS**  trans62.4123.3130.675.80000123.7
865T25.2Very low24.7Very low107 Ų107129.8 Ų129.866%0.65669%0.687SS**  78.3113.7121.358.20000122.9
866Q25.8Very low24.7Very low159 Ų159123.9 Ų123.974%0.74367%0.666SS**  93.8118.5115.1-71.6179.1-15.500122
867F22.6Very low24.3Very low163 Ų163122.6 Ų122.672%0.71567%0.665SS**  trans83.3118.1132.6-83.5-112.6000122.6
868E23.9Very low24.3Very low167 Ų167123.5 Ų123.578%0.7867%0.671SS**  trans78.5136.3136.5-78.6175.6-173.200122.9
869D23.6Very low24Very low91 Ų91124.4 Ų124.449%0.48767%0.667SS.*  trans-66.6143.5173.7-57.4-55.5000111.1H826H826-D869 VanDerWaalsContact CE1-CG 3.49Å; H826-D869 IonicContact CE1-OD1 2.65Å; H826-D869 PolarHBondContact CE1-OD1 2.67Å; H826-D869 IonicContact CE1-OD2 3.25Å; H826-D869 IonicContact CG-OD2 3.61Å; H826-D869 VanDerWaalsContact ND1-CG 3.32Å; H826-D869 IonicContact ND1-OD1 3.28Å; H826-D869 PolarHBondContact ND1-OD1 2.65Å; H826-D869 IonicContact ND1-OD2 2.71Å; H826-D869 PolarHBondContact ND1-OD2 3.15Å; H826-D869 IonicContact NE2-OD1 2.72Å
870N26.1Very low23.9Very low141 Ų141124 Ų12475%0.75467%0.668SS**  -172.9135.5116.1-95.3-49.3000114.2
871F22.7Very low24Very low131 Ų131126.8 Ų126.858%0.57567%0.67SS**  trans60.2117.1142.2-85.6-113.7000122.4
872L22.3Very low24.2Very low124 Ų124127.3 Ų127.365%0.64967%0.669SS**  55.4144.7122.8-98.573.2000122.2
873N23.5Very low24.3Very low82 Ų82127 Ų12744%0.43967%0.668SS.*  trans76.6107152.1-58.8-12.4000119.2E744E744-N873 PolarHBondContact OE1-ND2 3.38Å; E744-N873 PolarHBondContact OE2-ND2 2.76Å; E744-N873 VanDerWaalsContact OE2-ND2 3.08Å
874N25.3Very low24.3Very low174 Ų174127 Ų12793%0.9366%0.662SS**  trans-142.493.8141.6-109.8-55.9000109
875Q23.4Very low24.6Very low93 Ų93128 Ų12844%0.43566%0.66SS.*  trans-112.2122.6170.9-80-169.5100109.8C742C742-Q875 VanDerWaalsContact CA-OE1 3.3Å; C742-Q875 HydrophobicContact CB-CB 3.93Å; C742-Q875 HydrophobicContact CB-CG 4.03Å; C742-Q875 VanDerWaalsContact SG-CD 3.51Å
876K23.8Very low24.9Very low97 Ų97128 Ų12842%0.42266%0.66SS.*  trans54.3126.4165-72.7-173.2178.7172.50118.4C742C742-K876 HydrophobicContact CB-CD 3.73Å; C742-K876 HydrophobicContact CB-CG 3.9Å; C742-K876 PolarHBondContact O-NZ 3.23Å
877T21.3Very low24.9Very low138 Ų138129.8 Ų129.885%0.84766%0.661SS**  -156.1172.196.411.40000111.2
878S21.4Very low25.2Very low95 Ų95127.9 Ų127.966%0.66466%0.659SS**  trans-57.3151.4175.546.20000113.8
879D23.5Very low25.5Very low142 Ų142124.8 Ų124.876%0.75965%0.651SS**  -159.7171.6101.3-124.3-50.2000116.6
880T23.7Very low25.6Very low105 Ų105127.3 Ų127.364%0.64466%0.664SS**  trans-76.2170.5-167.545.50000116.2
881F27.5Very low25.7Very low188 Ų188127.2 Ų127.283%0.82566%0.664SS**  -170.5109.2117.4-113.2-105.5000108
882V29.1Very low25.9Very low97 Ų97124.9 Ų124.959%0.58866%0.663SS**  91.2103.692.8156.90000112.3
883N25.9Very low26.1Very low134 Ų134127.3 Ų127.372%0.71767%0.671SS**  77.414787.3-89.7-21.4000112.8
884K26.8Very low26.2Very low156 Ų156130.6 Ų130.668%0.67869%0.689SS**  cis-166.6178.623.5-121.6162.7160.5-99.10108.1
885D30Very low26.4Very low103 Ų103130.2 Ų130.255%0.55169%0.687SS**  cis-162.2166.814-134.1-31.8000112
886V31.3Very low26.9Very low109 Ų109134.9 Ų134.966%0.66171%0.709SS**  trans66.9145.6161.6166.80000116.4
887Y26.3Very low27.5Very low196 Ų196137.7 Ų137.777%0.76973%0.727SS**  cis-166.9175-27.1-89.6-21.7000105.8
888D28.2Very low28.1Very low123 Ų123139.9 Ų139.966%0.65873%0.728SS**  cis-150.7130.36.4-136.837000108
889V29.3Very low28.9Very low101 Ų101144.6 Ų144.661%0.61274%0.736SS**  86.5104101.8172.20000117.8
890N25.7Very low30Very low145 Ų145142.8 Ų142.878%0.77573%0.734SS**  trans63147151.5-57.1-10.8000119.5
891N29.5Very low31.6Very low139 Ų139143.3 Ų143.374%0.74374%0.737SS**  cis-156.8147.226.8-151.213.2000115.4
892S25.4Very low33.6Very low81 Ų81143.4 Ų143.457%0.56673%0.732SS**  trans39.1121.5145.863.90000124.9
893Q26.6Very low36Very low175 Ų175144.2 Ų144.282%0.81873%0.729SS**  60.198.1129.8-65.3178-28.600121.5
894N25.8Very low38.7Very low151 Ų151139.8 Ų139.881%0.80770%0.703SS**  167.1127.3110.8-87-14.5000111.1
895N30.4Very low41.6Very low166 Ų166138.6 Ų138.689%0.88869%0.694SS**  trans-165.2100.3159.3-104-27.8000110
896E34Very low44.4Very low192 Ų192134.1 Ų134.190%0.89767%0.67SS**  trans-69.2147.9165-69.1-171.5133.100110.3E898E896-E898 PolarHBondContact O-N 3.39Å; E896-E898 VanDerWaalsContact O-N 3.11Å
897I35Very low47.2Very low156 Ų156129 Ų12980%0.864%0.639SS**  trans-76.7102.4-167-60.4166.5000111.1K899I897-K899 PolarHBondContact O-N 2.87Å; I897-K899 VanDerWaalsContact O-N 3.07Å
898E35.1Very low50.3Low184 Ų184119.7 Ų119.786%0.8660%0.602SS**  trans-60.1108.5160.3-79-162.8143.100110.5E896 S900E896-E898 PolarHBondContact O-N 3.39Å; E896-E898 VanDerWaalsContact O-N 3.11Å; E898-S900 VanDerWaalsContact C-N 3.31Å; E898-S900 PolarHBondContact O-N 3.18Å
899K38.7Very low53.3Low194 Ų194113.9 Ų113.984%0.84357%0.571SS**  trans-73.586.1166.4-82178.6177.4165.60109.9I897 V901I897-K899 PolarHBondContact O-N 2.87Å; I897-K899 VanDerWaalsContact O-N 3.07Å; K899-V901 PolarHBondContact O-N 2.72Å
900S45.7Very low56.4Low103 Ų103109.6 Ų109.672%0.7254%0.544SS*.  trans-45.3121.2173.455.10000112.4E898 R902E898-S900 VanDerWaalsContact C-N 3.31Å; E898-S900 PolarHBondContact O-N 3.18Å; S900-R902 PolarHBondContact O-N 2.91Å; S900-R902 VanDerWaalsContact O-N 3.16Å
901V58.3Low59.6Low116 Ų116103.5 Ų103.570%0.70351%0.512SS*.  trans-67.2113.6177.11790000108.3T711 K899 E903T711-V901 HydrophobicContact CG2-CG1 4.39Å; K899-V901 PolarHBondContact O-N 2.72Å; V901-E903 PolarHBondContact O-N 3.41Å; V901-E903 VanDerWaalsContact O-N 3.13Å
902R67.9Low62.5Low190 Ų19099.1 Ų99.172%0.71749%0.487SS*.  trans-71.9106.6179.1-80.4-175.7171.3179.3-2.4110.5S900 Y904S900-R902 PolarHBondContact O-N 2.91Å; S900-R902 VanDerWaalsContact O-N 3.16Å; R902-Y904 HydrophobicContact CB-CE2 4.18Å; R902-Y904 WeakPolarHBondContact O-CD2 3.05Å; R902-Y904 WeakPolarHBondContact O-CE2 3.29Å
903E80.5Confident65.6Low114 Ų11496.9 Ų96.953%0.53347%0.468SS..  trans-64.3138.1166-69.8-171.4162.700111.9T709 V901 R905T709-E903 HydrophobicContact CG2-CB 3.84Å; T709-E903 HydrophobicContact CG2-CG 4Å; V901-E903 PolarHBondContact O-N 3.41Å; V901-E903 VanDerWaalsContact O-N 3.13Å; E903-R905 IonicContact OE2-CZ 2.84Å; E903-R905 IonicContact OE2-NE 3.72Å; E903-R905 PolarHBondContact OE2-NE 2.89Å; E903-R905 IonicContact OE2-NH2 4Å; E903-R905 PolarHBondContact OE2-NH2 3.31Å
904Y83.3Confident68.5Low42 Ų4289 Ų8917%0.16543%0.432CS..EExtended strand (participates in β ladder)trans-113.998.8171.3-60.1-101.3000109.2R675 F710 T711 P713 R902 Y906R675-Y904 VanDerWaalsContact CZ-CD1 3.43Å; R675-Y904 VanDerWaalsContact NH2-CD1 3.33Å; R675-Y904 VanDerWaalsContact NH2-CE1 3.32Å; F710-Y904 PolarHBondContact N-O 3Å; F710-Y904 PolarHBondContact O-N 3.41Å; T711-Y904 WeakPolarHBondContact O-CD2 3.41Å; T711-Y904 WeakPolarHBondContact O-CE2 3.21Å; P713-Y904 HydrophobicContact CB-CD1 3.79Å; P713-Y904 HydrophobicContact CB-CE1 3.85Å; P713-Y904 HydrophobicContact CB-CG 4.36Å; P713-Y904 HydrophobicContact CG-CD1 4.45Å; P713-Y904 HydrophobicContact CG-CE1 4.06Å; R902-Y904 HydrophobicContact CB-CE2 4.18Å; R902-Y904 WeakPolarHBondContact O-CD2 3.05Å; R902-Y904 WeakPolarHBondContact O-CE2 3.29Å; Y904-Y906 WeakPolarHBondContact O-CD2 3.41Å
905R87Confident70.5Confident130 Ų13086 Ų8649%0.49142%0.421SS..EExtended strand (participates in β ladder)trans-76.2132.7172.8-62.5-177.7-171.9176.62.5109.7R675 A676 D708 T709 E903R675-R905 CarbonylContact C-O 3.4Å; A676-R905 HydrophobicContact CB-CB 4.18Å; A676-R905 PolarHBondContact N-O 3.02Å; D708-R905 WeakPolarHBondContact O-CA 3.43Å; T709-R905 HydrophobicContact CG2-CG 3.94Å; E903-R905 IonicContact OE2-CZ 2.84Å; E903-R905 IonicContact OE2-NE 3.72Å; E903-R905 PolarHBondContact OE2-NE 2.89Å; E903-R905 IonicContact OE2-NH2 4Å; E903-R905 PolarHBondContact OE2-NH2 3.31Å
906Y89.2Confident72.5Confident9 Ų980 Ų804%0.03539%0.392CS..EExtended strand (participates in β ladder)trans-126.8147.6172.4-74.3-105.4000109.5C673 V674 R675 Q707 D708 F710 P713 L714 Y904C673-Y906 HydrophobicContact CB-CD1 4.23Å; V674-Y906 CarbonylContact O-C 3.57Å; V674-Y906 WeakPolarHBondContact O-CA 3.44Å; R675-Y906 HydrophobicContact CB-CD1 4.18Å; R675-Y906 HydrophobicContact CB-CE1 3.88Å; Q707-Y906 CarbonylContact C-O 3.37Å; Q707-Y906 WeakPolarHBondContact CA-O 3.42Å; Q707-Y906 WeakPolarHBondContact CG-O 3.33Å; D708-Y906 PolarHBondContact N-O 3.43Å; D708-Y906 PolarHBondContact O-N 3.28Å; D708-Y906 VanDerWaalsContact O-O 3.06Å; F710-Y906 AromaticContact CD2-CD2 3.58Å; F710-Y906 HydrophobicContact CD2-CD2 3.58Å; F710-Y906 HydrophobicContact CD2-CE2 4.3Å; F710-Y906 HydrophobicContact CD2-CG 4.26Å; F710-Y906 AromaticContact CE2-CD2 3.93Å; F710-Y906 HydrophobicContact CE2-CD2 3.93Å; F710-Y906 HydrophobicContact CE2-CG 4.15Å; F710-Y906 HydrophobicContact CG-CD2 4.4Å; P713-Y906 WeakPolarHBondContact CA-OH 3.26Å; L714-Y906 HydrophobicContact CB-CE1 3.96Å; L714-Y906 HydrophobicContact CB-CE2 4.39Å; L714-Y906 HydrophobicContact CD1-CD1 4.34Å; L714-Y906 HydrophobicContact CD1-CE1 4.47Å; L714-Y906 HydrophobicContact CD1-CG 4.46Å; L714-Y906 HydrophobicContact CG-CE2 4.45Å; L714-Y906 PolarHBondContact N-OH 3.36Å; L714-Y906 PolarHBondContact O-OH 2.99Å; Y904-Y906 WeakPolarHBondContact O-CD2 3.41Å
907I89.4Confident75Confident3 Ų375 Ų752%0.01537%0.368CS..EExtended strand (participates in β ladder)trans-98.5137.1159.2-78168.2000107.1V674 L684 F685 I688 W706 Q707 I909V674-I907 PolarHBondContact N-O 3.31Å; V674-I907 PolarHBondContact O-N 2.74Å; L684-I907 HydrophobicContact CD2-CB 3.49Å; L684-I907 VanDerWaalsContact CD2-CB 3.49Å; L684-I907 HydrophobicContact CD2-CD1 3.81Å; L684-I907 HydrophobicContact CD2-CG1 4.17Å; L684-I907 HydrophobicContact CD2-CG2 3.66Å; F685-I907 HydrophobicContact CE1-CD1 4.02Å; F685-I907 HydrophobicContact CZ-CD1 4.01Å; I688-I907 HydrophobicContact CD1-CD1 4.41Å; I688-I907 HydrophobicContact CD1-CG2 3.57Å; I688-I907 HydrophobicContact CG1-CG2 4.42Å; W706-I907 WeakPolarHBondContact O-CA 3.34Å; Q707-I907 HydrophobicContact CB-CG1 4.18Å; Q707-I907 HydrophobicContact CG-CG1 4.08Å; I907-I909 HydrophobicContact CG2-CG1 4.24Å
908I91.4Very high77.7Confident0 Ų069.1 Ų69.10%034%0.34CS..EExtended strand (participates in β ladder)trans-114.9131.9-175.5-48.6-60.3000107.7L639 I671 C673 S705 W706 D708 F710L639-I908 HydrophobicContact CD1-CG2 4.16Å; L639-I908 HydrophobicContact CD2-CD1 4.44Å; I671-I908 HydrophobicContact CG2-CG2 3.27Å; C673-I908 HydrophobicContact CB-CD1 3.85Å; S705-I908 CarbonylContact C-O 3.56Å; S705-I908 WeakPolarHBondContact CA-O 3.34Å; S705-I908 WeakPolarHBondContact CB-O 3.49Å; W706-I908 HydrophobicContact CD2-CB 4.04Å; W706-I908 HydrophobicContact CD2-CG2 4.36Å; W706-I908 HydrophobicContact CG-CB 4.4Å; W706-I908 HydrophobicContact CH2-CB 4.48Å; W706-I908 HydrophobicContact CH2-CG2 3.76Å; W706-I908 HydrophobicContact CZ2-CB 3.87Å; W706-I908 HydrophobicContact CZ2-CG2 3.33Å; W706-I908 HydrophobicContact CZ3-CG2 4.44Å; W706-I908 PolarHBondContact N-O 3.48Å; W706-I908 PolarHBondContact O-N 3.11Å; D708-I908 HydrophobicContact CB-CD1 4.48Å; D708-I908 HydrophobicContact CB-CG1 4.03Å; D708-I908 WeakPolarHBondContact OD2-CG1 3.48Å; F710-I908 HydrophobicContact CE2-CD1 4.28Å; F710-I908 HydrophobicContact CZ-CD1 4.21Å
909I91.6Very high80.5Confident0 Ų060.5 Ų60.50%030%0.3CS..EExtended strand (participates in β ladder)trans-124.7117.2-177.3-52.5176.5000108.7I671 K672 I688 Y702 I907 M911I671-I909 CarbonylContact C-O 3.32Å; I671-I909 WeakPolarHBondContact CA-O 3.31Å; K672-I909 HydrophobicContact CB-CB 4.34Å; K672-I909 PolarHBondContact N-O 3.17Å; K672-I909 PolarHBondContact O-N 2.48Å; I688-I909 HydrophobicContact CG1-CD1 4.02Å; I688-I909 HydrophobicContact CG1-CG1 4.37Å; Y702-I909 HydrophobicContact CD2-CG2 3.76Å; Y702-I909 HydrophobicContact CE2-CG2 3.9Å; I907-I909 HydrophobicContact CG2-CG1 4.24Å; I909-M911 HydrophobicContact CG2-CG 3.82Å; I909-M911 HydrophobicContact CG2-SD 4.25Å
910Q94.2Very high83Confident11 Ų1153.2 Ų53.25%0.05127%0.267CS..EExtended strand (participates in β ladder)trans-87.2122.7174.5-178.6-174.4-5.500110.2F643 Y669 I671 F703 T704 W706F643-Q910 HydrophobicContact CE1-CG 4.49Å; F643-Q910 HydrophobicContact CZ-CG 4.23Å; Y669-Q910 HydrophobicContact CD1-CG 3.98Å; Y669-Q910 VanDerWaalsContact CE2-NE2 3.26Å; Y669-Q910 HydrophobicContact CG-CG 3.98Å; I671-Q910 HydrophobicContact CD1-CB 3.89Å; I671-Q910 HydrophobicContact CD1-CG 3.8Å; F703-Q910 HydrophobicContact CB-CB 4.37Å; F703-Q910 HydrophobicContact CB-CG 4.01Å; F703-Q910 HydrophobicContact CD2-CG 4.47Å; F703-Q910 PolarHBondContact N-O 3.21Å; T704-Q910 HydrophobicContact CG2-CB 4.28Å; T704-Q910 PolarHBondContact O-N 2.97Å; W706-Q910 HydrophobicContact CH2-CB 4.44Å; W706-Q910 HydrophobicContact CZ3-CB 4.07Å
911M92.2Very high85.2Confident18 Ų1853.6 Ų53.69%0.08925%0.254CS..EExtended strand (participates in β ladder)trans-132.2161.8-176.5-48.1177.9-57.300110.7V657 Y669 A670 K672 L691 V700 R701 I909 L913V657-M911 HydrophobicContact CG1-CE 4.24Å; Y669-M911 WeakPolarHBondContact CD1-O 3.36Å; A670-M911 HydrophobicContact CB-CB 4.41Å; A670-M911 HydrophobicContact CB-CE 4.23Å; A670-M911 PolarHBondContact N-O 3.31Å; A670-M911 WeakPolarHBondContact O-CA 3.43Å; A670-M911 WeakPolarHBondContact O-CB 3.44Å; A670-M911 PolarHBondContact O-N 2.95Å; K672-M911 HydrophobicContact CB-CE 3.68Å; K672-M911 HydrophobicContact CB-SD 4.3Å; L691-M911 HydrophobicContact CD2-SD 4.22Å; V700-M911 HydrophobicContact CG2-CB 4.16Å; R701-M911 CarbonylContact O-C 3.56Å; R701-M911 VanDerWaalsContact O-CA 3.3Å; R701-M911 WeakPolarHBondContact O-CA 3.44Å; I909-M911 HydrophobicContact CG2-CG 3.82Å; I909-M911 HydrophobicContact CG2-SD 4.25Å; M911-L913 PolarHBondContact O-N 2.91Å
912E91.6Very high86.8Confident47 Ų4748.1 Ų48.122%0.2222%0.22CC..EExtended strand (participates in β ladder)trans-55.2128.1170176.8179-169.700111.1V700 R701 F703 C914 K973V700-E912 HydrophobicContact CG2-CB 3.89Å; V700-E912 WeakPolarHBondContact CG2-O 3.47Å; R701-E912 HydrophobicContact CB-CB 4.01Å; R701-E912 WeakPolarHBondContact CB-OE2 3.42Å; R701-E912 PolarHBondContact N-OE2 2.96Å; R701-E912 PolarHBondContact O-N 2.89Å; F703-E912 HydrophobicContact CE2-CB 4.09Å; E912-C914 PolarHBondContact O-N 3.49Å; E912-K973 WeakPolarHBondContact OE1-CE 3.48Å; E912-K973 IonicContact OE1-NZ 3.18Å; E912-K973 PolarHBondContact OE1-NZ 3.4Å; E912-K973 IonicContact OE2-NZ 2.74Å
913L90.6Very high88Confident33 Ų3339.2 Ų39.217%0.17319%0.187CC..  trans-77.7108.6168.9-178.868000108.9I649 K659 D668 A670 M911 P915I649-L913 HydrophobicContact CD1-CD1 3.79Å; K659-L913 HydrophobicContact CB-CD1 4.14Å; K659-L913 HydrophobicContact CB-CD2 4.47Å; K659-L913 HydrophobicContact CD-CD2 3.8Å; K659-L913 HydrophobicContact CG-CD2 3.96Å; D668-L913 HydrophobicContact CB-CD2 3.72Å; A670-L913 HydrophobicContact CB-CB 4.48Å; A670-L913 HydrophobicContact CB-CD1 4.17Å; M911-L913 PolarHBondContact O-N 2.91Å; L913-P915 VanDerWaalsContact O-CD 3.28Å; L913-P915 WeakPolarHBondContact O-CD 3.09Å
914C85.7Confident88.4Confident9 Ų937.4 Ų37.46%0.06118%0.181CC..  trans-77.5109.1165.1-52.70000107.9E912 S916 M965E912-C914 PolarHBondContact O-N 3.49Å; C914-S916 PolarHBondContact O-N 3.3Å; C914-S916 VanDerWaalsContact O-N 3.15Å; C914-M965 HydrophobicContact CB-CB 3.93Å; C914-M965 HydrophobicContact CB-CE 3.8Å; C914-M965 HydrophobicContact CB-SD 3.91Å; C914-M965 WeakPolarHBondContact O-CE 3.46Å
915P69.8Low88.6Confident90 Ų9038.9 Ų38.958%0.58420%0.197SC*.  trans-81.78.8-168.735.3-38.2000113.8L913L913-P915 VanDerWaalsContact O-CD 3.28Å; L913-P915 WeakPolarHBondContact O-CD 3.09Å
916S70.7Confident88.6Confident40 Ų4035.8 Ų35.828%0.2819%0.188SC..SBendtrans-125.2-166.8-163.2172.90000110.7C914 M965 L966 D967C914-S916 PolarHBondContact O-N 3.3Å; C914-S916 VanDerWaalsContact O-N 3.15Å; S916-M965 VanDerWaalsContact O-CE 3.29Å; S916-M965 WeakPolarHBondContact O-CE 3.36Å; S916-L966 VanDerWaalsContact CB-O 3.31Å; S916-L966 WeakPolarHBondContact CB-O 2.93Å; S916-D967 VanDerWaalsContact CB-C 3.49Å; S916-D967 WeakPolarHBondContact CB-O 3.44Å; S916-D967 PolarHBondContact OG-O 2.95Å
917K86.9Confident88.4Confident87 Ų8738 Ų3838%0.37820%0.201SC..  trans-82.7154.8-166.7-66.8151.3179.8172.70111.3Y921 V922 E926 L966K917-Y921 HydrophobicContact CB-CD1 3.91Å; K917-Y921 HydrophobicContact CB-CG 4.25Å; K917-Y921 HydrophobicContact CD-CD1 3.62Å; K917-Y921 HydrophobicContact CD-CE1 3.66Å; K917-Y921 HydrophobicContact CG-CD1 3.6Å; K917-Y921 HydrophobicContact CG-CE1 3.94Å; K917-Y921 HydrophobicContact CG-CG 4.16Å; K917-V922 HydrophobicContact CB-CG2 3.93Å; K917-V922 HydrophobicContact CD-CG2 4.43Å; K917-E926 WeakPolarHBondContact CD-OE1 3.13Å; K917-E926 VanDerWaalsContact CE-OE1 3.31Å; K917-E926 WeakPolarHBondContact CE-OE1 3.43Å; K917-E926 IonicContact NZ-OE1 2.67Å; K917-E926 PolarHBondContact NZ-OE1 2.78Å; K917-L966 PolarHBondContact O-N 3.18Å
918S91.6Very high88.6Confident32 Ų3238 Ų3822%0.22420%0.201CC..BIsolated β-bridgetrans-77153.2163.360.90000110.5R920 Y921 V922 I964S918-R920 PolarHBondContact O-N 2.84Å; S918-Y921 WeakPolarHBondContact O-CA 3.49Å; S918-Y921 WeakPolarHBondContact O-CB 3.45Å; S918-Y921 PolarHBondContact O-N 3.33Å; S918-Y921 PolarHBondContact OG-N 2.95Å; S918-V922 PolarHBondContact O-N 2.89Å; S918-V922 VanDerWaalsContact O-N 3.09Å; S918-I964 CarbonylContact C-O 3.56Å; S918-I964 WeakPolarHBondContact CA-O 3.28Å
919L93.9Very high88.4Confident3 Ų339.2 Ų39.22%0.01621%0.209CC..Hα-helixtrans-57.4-31174.7-177.665000111.4V922 I923 L928 L938 P961 I964 I1078 M1082L919-V922 PolarHBondContact O-N 3.08Å; L919-I923 HydrophobicContact CD1-CD1 4.42Å; L919-I923 HydrophobicContact CD1-CG1 4.38Å; L919-I923 HydrophobicContact CD2-CD1 4.44Å; L919-I923 HydrophobicContact CG-CD1 3.91Å; L919-I923 HydrophobicContact CG-CG1 4.34Å; L919-I923 VanDerWaalsContact O-CG1 3.3Å; L919-I923 WeakPolarHBondContact O-CG1 3.42Å; L919-I923 PolarHBondContact O-N 2.95Å; L919-L928 HydrophobicContact CD1-CD2 3.83Å; L919-L938 HydrophobicContact CD1-CD1 4.04Å; L919-P961 HydrophobicContact CB-CB 4.1Å; L919-P961 HydrophobicContact CD2-CB 4.24Å; L919-P961 HydrophobicContact CG-CB 4.13Å; L919-P961 PolarHBondContact N-O 2.82Å; L919-I964 HydrophobicContact CB-CB 3.98Å; L919-I964 HydrophobicContact CB-CG2 3.94Å; L919-I964 HydrophobicContact CD2-CB 4.32Å; L919-I964 HydrophobicContact CD2-CD1 3.96Å; L919-I964 HydrophobicContact CD2-CG2 4.07Å; L919-I964 PolarHBondContact N-O 2.79Å; L919-I1078 HydrophobicContact CD2-CG2 3.94Å; L919-M1082 HydrophobicContact CD1-CE 4.34Å; L919-M1082 HydrophobicContact CD1-CG 4.49Å; L919-M1082 HydrophobicContact CD2-CG 4.32Å; L919-M1082 HydrophobicContact CD2-SD 4Å
920R92.6Very high88.3Confident40 Ų4043.7 Ų43.715%0.15124%0.239CC..Hα-helixtrans-54.8-49.6169.2173.552.254.6-137-5.3111.8S918 V922 D924 P961 A962 Y1050 E1081 R1093S918-R920 PolarHBondContact O-N 2.84Å; R920-V922 VanDerWaalsContact C-N 3.34Å; R920-V922 PolarHBondContact O-N 3.17Å; R920-D924 WeakPolarHBondContact CD-OD2 3.46Å; R920-D924 IonicContact CZ-OD1 3.6Å; R920-D924 IonicContact NH1-OD1 2.71Å; R920-D924 PolarHBondContact NH1-OD1 3.12Å; R920-D924 IonicContact NH1-OD2 3.54Å; R920-D924 WeakPolarHBondContact O-CB 3.26Å; R920-D924 VanDerWaalsContact O-CG 3.25Å; R920-D924 PolarHBondContact O-N 3.41Å; R920-P961 HydrophobicContact CB-CB 4.06Å; R920-P961 PolarHBondContact N-O 2.58Å; R920-A962 HydrophobicContact CB-CB 4.46Å; R920-Y1050 PolarHBondContact NH2-OH 3.33Å; R920-E1081 IonicContact CZ-OE1 3.54Å; R920-E1081 IonicContact NH1-OE1 2.76Å; R920-E1081 PolarHBondContact NH1-OE1 3.04Å; R920-E1081 VanDerWaalsContact NH2-CD 3.29Å; R920-E1081 IonicContact NH2-OE1 3.83Å; R920-E1081 PolarHBondContact NH2-OE1 2.84Å; R920-E1081 IonicContact NH2-OE2 3.6Å; R920-E1081 PolarHBondContact NH2-OE2 3.13Å; R920-R1093 VanDerWaalsContact NH2-NH2 3.1Å
921Y91Very high88.1Confident112 Ų11245.8 Ų45.844%0.43926%0.256SS..Hα-helixtrans-63.6-39.9176.6-178.2-75.5000111.5K917 S918 S925K917-Y921 HydrophobicContact CB-CD1 3.91Å; K917-Y921 HydrophobicContact CB-CG 4.25Å; K917-Y921 HydrophobicContact CD-CD1 3.62Å; K917-Y921 HydrophobicContact CD-CE1 3.66Å; K917-Y921 HydrophobicContact CG-CD1 3.6Å; K917-Y921 HydrophobicContact CG-CE1 3.94Å; K917-Y921 HydrophobicContact CG-CG 4.16Å; S918-Y921 WeakPolarHBondContact O-CA 3.49Å; S918-Y921 WeakPolarHBondContact O-CB 3.45Å; S918-Y921 PolarHBondContact O-N 3.33Å; S918-Y921 PolarHBondContact OG-N 2.95Å; Y921-S925 WeakPolarHBondContact O-CA 3.45Å; Y921-S925 WeakPolarHBondContact O-CB 3.4Å; Y921-S925 PolarHBondContact O-N 2.79Å; Y921-S925 PolarHBondContact O-OG 2.8Å
922V92.2Very high87.9Confident0 Ų048.1 Ų48.10%027%0.272CS..Hα-helixtrans-69.9-38.4-178.61780000112.1K917 S918 L919 R920 E926 N927 L928 L966K917-V922 HydrophobicContact CB-CG2 3.93Å; K917-V922 HydrophobicContact CD-CG2 4.43Å; S918-V922 PolarHBondContact O-N 2.89Å; S918-V922 VanDerWaalsContact O-N 3.09Å; L919-V922 PolarHBondContact O-N 3.08Å; R920-V922 VanDerWaalsContact C-N 3.34Å; R920-V922 PolarHBondContact O-N 3.17Å; V922-E926 HydrophobicContact CG1-CB 4.31Å; V922-E926 CarbonylContact O-C 3.48Å; V922-E926 WeakPolarHBondContact O-CA 3.32Å; V922-E926 WeakPolarHBondContact O-CB 3.33Å; V922-E926 PolarHBondContact O-N 2.94Å; V922-N927 PolarHBondContact O-N 2.96Å; V922-L928 HydrophobicContact CG1-CB 4.29Å; V922-L928 HydrophobicContact CG1-CD1 4.07Å; V922-L928 HydrophobicContact CG1-CD2 4.3Å; V922-L928 HydrophobicContact CG1-CG 4.45Å; V922-L966 HydrophobicContact CG2-CD1 3.84Å
923I92.8Very high87.6Confident4 Ų450.2 Ų50.22%0.02128%0.284CS..Hα-helixtrans-62.8-53.7171.8-68.4164.6000110.3L919 N927 L928 P961 E1081 M1082L919-I923 HydrophobicContact CD1-CD1 4.42Å; L919-I923 HydrophobicContact CD1-CG1 4.38Å; L919-I923 HydrophobicContact CD2-CD1 4.44Å; L919-I923 HydrophobicContact CG-CD1 3.91Å; L919-I923 HydrophobicContact CG-CG1 4.34Å; L919-I923 VanDerWaalsContact O-CG1 3.3Å; L919-I923 WeakPolarHBondContact O-CG1 3.42Å; L919-I923 PolarHBondContact O-N 2.95Å; I923-N927 WeakPolarHBondContact O-CA 3.39Å; I923-N927 PolarHBondContact O-N 3.43Å; I923-L928 HydrophobicContact CG1-CB 4.44Å; I923-L928 HydrophobicContact CG1-CD2 4.14Å; I923-P961 HydrophobicContact CD1-CB 4.04Å; I923-P961 HydrophobicContact CD1-CG 4.07Å; I923-E1081 HydrophobicContact CD1-CB 4.02Å; I923-E1081 WeakPolarHBondContact CG2-O 3.25Å; I923-M1082 HydrophobicContact CD1-CG 4.02Å; I923-M1082 HydrophobicContact CG1-CG 4.39Å
924D88.8Confident87.7Confident76 Ų7651.7 Ų51.741%0.40629%0.288SS..Hα-helixtrans-78.3-34.6-168.6-62.44.9000113.2R920R920-D924 WeakPolarHBondContact CD-OD2 3.46Å; R920-D924 IonicContact CZ-OD1 3.6Å; R920-D924 IonicContact NH1-OD1 2.71Å; R920-D924 PolarHBondContact NH1-OD1 3.12Å; R920-D924 IonicContact NH1-OD2 3.54Å; R920-D924 WeakPolarHBondContact O-CB 3.26Å; R920-D924 VanDerWaalsContact O-CG 3.25Å; R920-D924 PolarHBondContact O-N 3.41Å
925S86.9Confident88Confident73 Ų7351.3 Ų51.351%0.5129%0.285SS..Hα-helixtrans-107.8-26.6-171.6-49.90000114.7Y921Y921-S925 WeakPolarHBondContact O-CA 3.45Å; Y921-S925 WeakPolarHBondContact O-CB 3.4Å; Y921-S925 PolarHBondContact O-N 2.79Å; Y921-S925 PolarHBondContact O-OG 2.8Å
926E88.5Confident89.1Confident64 Ų6448.3 Ų48.330%0.29926%0.262SS..Hα-helixtrans-104.9-0.3177.2-65.6174.2-16200112.4K917 V922 L928 R934K917-E926 WeakPolarHBondContact CD-OE1 3.13Å; K917-E926 VanDerWaalsContact CE-OE1 3.31Å; K917-E926 WeakPolarHBondContact CE-OE1 3.43Å; K917-E926 IonicContact NZ-OE1 2.67Å; K917-E926 PolarHBondContact NZ-OE1 2.78Å; V922-E926 HydrophobicContact CG1-CB 4.31Å; V922-E926 CarbonylContact O-C 3.48Å; V922-E926 WeakPolarHBondContact O-CA 3.32Å; V922-E926 WeakPolarHBondContact O-CB 3.33Å; V922-E926 PolarHBondContact O-N 2.94Å; E926-L928 PolarHBondContact O-N 3.18Å; E926-R934 IonicContact OE2-CZ 3.7Å; E926-R934 IonicContact OE2-NH1 3.64Å; E926-R934 PolarHBondContact OE2-NH1 2.63Å; E926-R934 IonicContact OE2-NH2 2.83Å; E926-R934 PolarHBondContact OE2-NH2 2.95Å
927N85.2Confident90.1Very high57 Ų5747.9 Ų47.931%0.30526%0.259SS..  trans50.356.8177.9-160.530.5000112.3V922 I923 S929 C930 A1086V922-N927 PolarHBondContact O-N 2.96Å; I923-N927 WeakPolarHBondContact O-CA 3.39Å; I923-N927 PolarHBondContact O-N 3.43Å; N927-S929 PolarHBondContact O-N 3.42Å; N927-S929 PolarHBondContact OD1-OG 3.02Å; N927-C930 PolarHBondContact ND2-SG 3.23Å; N927-C930 WeakPolarHBondContact O-CB 3.39Å; N927-C930 PolarHBondContact O-N 3.24Å; N927-A1086 PolarHBondContact OD1-N 3.24Å; N927-A1086 VanDerWaalsContact OD1-N 3.1Å
928L91.7Very high90.4Very high2 Ų243.9 Ų43.91%0.0124%0.242CC..G310 helixtrans-48.3-28.8-170-176.558.9000115.1L919 V922 I923 E926 C930 S931 R934 A935 L938 M1082L919-L928 HydrophobicContact CD1-CD2 3.83Å; V922-L928 HydrophobicContact CG1-CB 4.29Å; V922-L928 HydrophobicContact CG1-CD1 4.07Å; V922-L928 HydrophobicContact CG1-CD2 4.3Å; V922-L928 HydrophobicContact CG1-CG 4.45Å; I923-L928 HydrophobicContact CG1-CB 4.44Å; I923-L928 HydrophobicContact CG1-CD2 4.14Å; E926-L928 PolarHBondContact O-N 3.18Å; L928-C930 PolarHBondContact O-N 3.4Å; L928-C930 VanDerWaalsContact O-N 3.11Å; L928-S931 CarbonylContact O-C 3.17Å; L928-S931 PolarHBondContact O-N 2.93Å; L928-R934 HydrophobicContact CD1-CB 4.19Å; L928-R934 HydrophobicContact CD1-CG 4.03Å; L928-A935 HydrophobicContact CD1-CB 4.33Å; L928-A935 HydrophobicContact CD2-CB 4.43Å; L928-A935 HydrophobicContact CG-CB 4.08Å; L928-L938 HydrophobicContact CD1-CD1 4.25Å; L928-L938 HydrophobicContact CD2-CD1 4.13Å; L928-M1082 HydrophobicContact CD2-CB 4.15Å; L928-M1082 HydrophobicContact CD2-CE 4.12Å; L928-M1082 HydrophobicContact CD2-CG 4.06Å
929S88.9Confident90.6Very high26 Ų2642.3 Ų42.318%0.18223%0.231CC..G310 helixtrans-54.6-26.8173.756.20000114N927 S931 M1082 F1083N927-S929 PolarHBondContact O-N 3.42Å; N927-S929 PolarHBondContact OD1-OG 3.02Å; S929-S931 PolarHBondContact O-N 2.9Å; S929-M1082 PolarHBondContact N-O 3.18Å; S929-F1083 VanDerWaalsContact CB-O 3.32Å; S929-F1083 WeakPolarHBondContact CB-O 3.08Å
930C88.8Confident90.6Very high93 Ų9345 Ų4563%0.62824%0.241SC*.G310 helixtrans-77.3-3.1175.6-65.70000113.8N927 L928N927-C930 PolarHBondContact ND2-SG 3.23Å; N927-C930 WeakPolarHBondContact O-CB 3.39Å; N927-C930 PolarHBondContact O-N 3.24Å; L928-C930 PolarHBondContact O-N 3.4Å; L928-C930 VanDerWaalsContact O-N 3.11Å
931S89.6Confident90.6Very high56 Ų5643.5 Ų43.539%0.39224%0.236SC..  trans-129.572177-690000111.8L928 S929 D933 R934 A935L928-S931 CarbonylContact O-C 3.17Å; L928-S931 PolarHBondContact O-N 2.93Å; S929-S931 PolarHBondContact O-N 2.9Å; S931-D933 VanDerWaalsContact C-N 3.27Å; S931-D933 PolarHBondContact O-N 3.34Å; S931-D933 VanDerWaalsContact O-N 3.16Å; S931-R934 PolarHBondContact O-N 3.02Å; S931-A935 PolarHBondContact O-N 2.97Å
932P88.4Confident90.8Very high66 Ų6638.2 Ų38.243%0.42922%0.215SC..Hα-helixtrans-54.9-36.8-174-28.436.6000114.6A935 W936 F1083P932-A935 PolarHBondContact O-N 2.91Å; P932-W936 PolarHBondContact O-N 2.95Å; P932-F1083 HydrophobicContact CB-CE1 4.13Å
933D85.8Confident91Very high91 Ų9138.2 Ų38.249%0.48722%0.215SC..Hα-helixtrans-64.7-42.1178.5-70-33.6000112.4S931 W936 S937 K1150S931-D933 VanDerWaalsContact C-N 3.27Å; S931-D933 PolarHBondContact O-N 3.34Å; S931-D933 VanDerWaalsContact O-N 3.16Å; D933-W936 PolarHBondContact O-N 3.27Å; D933-S937 PolarHBondContact O-N 2.98Å; D933-K1150 HydrophobicContact CB-CD 4.31Å; D933-K1150 WeakPolarHBondContact OD1-CD 3.38Å; D933-K1150 VanDerWaalsContact OD1-CE 3.26Å; D933-K1150 WeakPolarHBondContact OD1-CE 3.46Å; D933-K1150 IonicContact OD1-NZ 3.03Å; D933-K1150 PolarHBondContact OD1-NZ 2.58Å; D933-K1150 IonicContact OD2-NZ 3.41Å; D933-K1150 PolarHBondContact OD2-NZ 2.88Å
934R91.4Very high91.1Very high65 Ų6541.2 Ų41.225%0.24523%0.231CC..Hα-helixtrans-67.3-44.9176.1-170.8-179.8179.5-154.30.3110E926 L928 S931 W936 S937 L938 D970E926-R934 IonicContact OE2-CZ 3.7Å; E926-R934 IonicContact OE2-NH1 3.64Å; E926-R934 PolarHBondContact OE2-NH1 2.63Å; E926-R934 IonicContact OE2-NH2 2.83Å; E926-R934 PolarHBondContact OE2-NH2 2.95Å; L928-R934 HydrophobicContact CD1-CB 4.19Å; L928-R934 HydrophobicContact CD1-CG 4.03Å; S931-R934 PolarHBondContact O-N 3.02Å; R934-W936 VanDerWaalsContact C-N 3.31Å; R934-W936 PolarHBondContact O-N 3.11Å; R934-S937 PolarHBondContact O-N 3.43Å; R934-L938 HydrophobicContact CG-CD1 4.15Å; R934-L938 HydrophobicContact CG-CG 4.43Å; R934-L938 WeakPolarHBondContact O-CB 3.38Å; R934-L938 VanDerWaalsContact O-CG 3.28Å; R934-L938 WeakPolarHBondContact O-CG 3.44Å; R934-L938 PolarHBondContact O-N 2.72Å; R934-D970 IonicContact CZ-OD1 2.73Å; R934-D970 IonicContact CZ-OD2 3.66Å; R934-D970 IonicContact NE-OD1 2.69Å; R934-D970 IonicContact NE-OD2 3.82Å; R934-D970 PolarHBondContact NE-OD2 3.17Å; R934-D970 IonicContact NH2-OD1 2.84Å; R934-D970 PolarHBondContact NH2-OD1 2.85Å; R934-D970 IonicContact NH2-OD2 3.77Å
935A93.4Very high91.4Very high0 Ų037.6 Ų37.60%021%0.212CC..Hα-helixtrans-56.5-43.4174.700000112.2L928 S931 P932 F939 M1082 F1083L928-A935 HydrophobicContact CD1-CB 4.33Å; L928-A935 HydrophobicContact CD2-CB 4.43Å; L928-A935 HydrophobicContact CG-CB 4.08Å; S931-A935 PolarHBondContact O-N 2.97Å; P932-A935 PolarHBondContact O-N 2.91Å; A935-F939 VanDerWaalsContact O-CB 3.29Å; A935-F939 WeakPolarHBondContact O-CB 3.36Å; A935-F939 PolarHBondContact O-N 2.7Å; A935-M1082 WeakPolarHBondContact O-CE 3.36Å; A935-F1083 HydrophobicContact CB-CD2 4.44Å; A935-F1083 HydrophobicContact CB-CE1 4.05Å; A935-F1083 HydrophobicContact CB-CE2 3.84Å; A935-F1083 HydrophobicContact CB-CZ 3.62Å
936W92.7Very high91.8Very high27 Ų2734.1 Ų34.110%0.10219%0.188CC..Hα-helixtrans-67.7-40.9175.4-79.7123.8000113.8P932 D933 R934 F939 R940 F1083 N1118 Q1119 L1122 V1146 P1147P932-W936 PolarHBondContact O-N 2.95Å; D933-W936 PolarHBondContact O-N 3.27Å; R934-W936 VanDerWaalsContact C-N 3.31Å; R934-W936 PolarHBondContact O-N 3.11Å; W936-F939 HydrophobicContact CE3-CD1 4.09Å; W936-F939 HydrophobicContact CZ3-CD1 4.01Å; W936-F939 HydrophobicContact CZ3-CE1 4.4Å; W936-F939 PolarHBondContact O-N 3.36Å; W936-R940 WeakPolarHBondContact O-CB 3.25Å; W936-R940 PolarHBondContact O-N 3.39Å; W936-F1083 AromaticContact CD1-CZ 3.71Å; W936-F1083 HydrophobicContact CD2-CE2 4.26Å; W936-F1083 AromaticContact CD2-CZ 3.75Å; W936-F1083 HydrophobicContact CD2-CZ 3.75Å; W936-F1083 AromaticContact CE2-CZ 3.61Å; W936-F1083 HydrophobicContact CE3-CZ 4.46Å; W936-F1083 AromaticContact CG-CZ 3.86Å; W936-F1083 HydrophobicContact CG-CZ 3.86Å; W936-F1083 HydrophobicContact CZ2-CZ 4.25Å; W936-F1083 AromaticContact NE1-CE1 3.91Å; W936-F1083 AromaticContact NE1-CZ 3.54Å; W936-N1118 HydrophobicContact CZ2-CB 4.44Å; W936-Q1119 HydrophobicContact CH2-CG 4.13Å; W936-Q1119 HydrophobicContact CZ2-CG 3.74Å; W936-L1122 HydrophobicContact CH2-CD1 3.69Å; W936-L1122 HydrophobicContact CZ3-CD1 4.02Å; W936-V1146 HydrophobicContact CE3-CG1 4.44Å; W936-V1146 HydrophobicContact CZ3-CG1 4.41Å; W936-V1146 HydrophobicContact CZ3-CG2 4.42Å; W936-P1147 HydrophobicContact CD2-CG 3.77Å; W936-P1147 VanDerWaalsContact CE3-CD 3.44Å; W936-P1147 HydrophobicContact CE3-CG 4.35Å; W936-P1147 HydrophobicContact CG-CG 3.86Å; W936-P1147 HydrophobicContact CZ2-CG 4.27Å
937S90.5Very high92.2Very high32 Ų3231.6 Ų31.622%0.22418%0.177CC..Hα-helixtrans-59-51.9175.7-1610000110.9D933 R934 F939 R940 E941 F1149D933-S937 PolarHBondContact O-N 2.98Å; R934-S937 PolarHBondContact O-N 3.43Å; S937-F939 VanDerWaalsContact C-N 3.34Å; S937-F939 PolarHBondContact O-N 2.89Å; S937-R940 PolarHBondContact O-N 3.45Å; S937-E941 PolarHBondContact O-N 3.26Å; S937-F1149 WeakPolarHBondContact OG-CD1 3.34Å; S937-F1149 WeakPolarHBondContact OG-CE1 3.37Å
938L93.9Very high92.7Very high2 Ų231.1 Ų31.11%0.0117%0.172CC..Hα-helixtrans-61.7-39.7177.6-64.5178.7000112.1L919 L928 R934 L942 L966 D970 V972 M1082L919-L938 HydrophobicContact CD1-CD1 4.04Å; L928-L938 HydrophobicContact CD1-CD1 4.25Å; L928-L938 HydrophobicContact CD2-CD1 4.13Å; R934-L938 HydrophobicContact CG-CD1 4.15Å; R934-L938 HydrophobicContact CG-CG 4.43Å; R934-L938 WeakPolarHBondContact O-CB 3.38Å; R934-L938 VanDerWaalsContact O-CG 3.28Å; R934-L938 WeakPolarHBondContact O-CG 3.44Å; R934-L938 PolarHBondContact O-N 2.72Å; L938-L942 WeakPolarHBondContact O-CB 3.03Å; L938-L942 PolarHBondContact O-N 3.39Å; L938-L966 HydrophobicContact CD1-CD1 4.35Å; L938-L966 HydrophobicContact CD2-CD1 4.27Å; L938-L966 HydrophobicContact CD2-CD2 3.58Å; L938-D970 VanDerWaalsContact CD2-O 3.23Å; L938-D970 WeakPolarHBondContact CD2-O 3.37Å; L938-V972 HydrophobicContact CB-CG2 4.16Å; L938-V972 HydrophobicContact CD2-CG2 3.66Å; L938-V972 WeakPolarHBondContact O-CG2 3.46Å; L938-M1082 HydrophobicContact CB-CE 3.72Å
939F95.8Very high92.8Very high0 Ų031 Ų310%017%0.171CC..Hα-helixtrans-65.1-39.8176.8178.3-99.3000112A935 W936 S937 T943 L1075 L1079 M1082 M1126 V1146A935-F939 VanDerWaalsContact O-CB 3.29Å; A935-F939 WeakPolarHBondContact O-CB 3.36Å; A935-F939 PolarHBondContact O-N 2.7Å; W936-F939 HydrophobicContact CE3-CD1 4.09Å; W936-F939 HydrophobicContact CZ3-CD1 4.01Å; W936-F939 HydrophobicContact CZ3-CE1 4.4Å; W936-F939 PolarHBondContact O-N 3.36Å; S937-F939 VanDerWaalsContact C-N 3.34Å; S937-F939 PolarHBondContact O-N 2.89Å; F939-T943 WeakPolarHBondContact O-CB 3.41Å; F939-T943 PolarHBondContact O-N 3.07Å; F939-T943 PolarHBondContact O-OG1 3.27Å; F939-L1075 HydrophobicContact CD2-CD1 4.04Å; F939-L1075 HydrophobicContact CE2-CD1 3.58Å; F939-L1075 HydrophobicContact CE2-CD2 4.14Å; F939-L1075 HydrophobicContact CE2-CG 3.7Å; F939-L1075 HydrophobicContact CZ-CD1 4.45Å; F939-L1075 HydrophobicContact CZ-CD2 4.23Å; F939-L1075 HydrophobicContact CZ-CG 4.25Å; F939-L1079 HydrophobicContact CB-CD1 4.47Å; F939-L1079 HydrophobicContact CD1-CD1 4.47Å; F939-L1079 HydrophobicContact CD2-CB 4.07Å; F939-L1079 HydrophobicContact CD2-CD1 3.65Å; F939-L1079 HydrophobicContact CD2-CG 4.28Å; F939-L1079 HydrophobicContact CE2-CB 3.79Å; F939-L1079 HydrophobicContact CE2-CD1 3.95Å; F939-L1079 HydrophobicContact CE2-CD2 3.98Å; F939-L1079 HydrophobicContact CE2-CG 4.11Å; F939-L1079 HydrophobicContact CG-CD1 3.93Å; F939-L1079 HydrophobicContact CZ-CD1 4.49Å; F939-L1079 HydrophobicContact CZ-CD2 4.03Å; F939-M1082 HydrophobicContact CB-CE 4.07Å; F939-M1126 HydrophobicContact CE2-CE 4.12Å; F939-M1126 HydrophobicContact CZ-CE 3.92Å; F939-M1126 HydrophobicContact CZ-SD 4.41Å; F939-V1146 HydrophobicContact CD1-CG1 4.38Å; F939-V1146 HydrophobicContact CE1-CG2 4.04Å
940R93Very high93Very high60 Ų6031 Ų3123%0.22617%0.168CC..Hα-helixtrans-68.8-45.4179.8-173.3171172.5-173.9-5.3111.7W936 S937 L942 T943 D944 L1141 V1146 F1149W936-R940 WeakPolarHBondContact O-CB 3.25Å; W936-R940 PolarHBondContact O-N 3.39Å; S937-R940 PolarHBondContact O-N 3.45Å; R940-L942 PolarHBondContact O-N 2.85Å; R940-T943 PolarHBondContact O-N 3.06Å; R940-D944 WeakPolarHBondContact O-CB 3.25Å; R940-D944 PolarHBondContact O-N 3.44Å; R940-L1141 HydrophobicContact CG-CD2 3.97Å; R940-V1146 HydrophobicContact CB-CG1 4.49Å; R940-F1149 HydrophobicContact CG-CD2 4.34Å; R940-F1149 HydrophobicContact CG-CE2 4.07Å; R940-F1149 VanDerWaalsContact NH1-N 3.17Å
941E93.9Very high93.2Very high7 Ų730.7 Ų30.73%0.03317%0.167CC..Hα-helixtrans-60.7-42.2174.2-73.6-176.7-154.700112.8N698 S937 T943 D944 G945 H971 V972 F1149N698-E941 PolarHBondContact ND2-OE2 3.3Å; S937-E941 PolarHBondContact O-N 3.26Å; E941-T943 VanDerWaalsContact C-N 3.31Å; E941-T943 PolarHBondContact O-N 3.08Å; E941-D944 PolarHBondContact O-N 2.81Å; E941-G945 PolarHBondContact O-N 3.04Å; E941-H971 IonicContact OE1-CE1 2.85Å; E941-H971 IonicContact OE1-CG 3.9Å; E941-H971 IonicContact OE1-ND1 2.84Å; E941-H971 PolarHBondContact OE1-ND1 2.84Å; E941-H971 WeakPolarHBondContact OE2-CA 3.41Å; E941-H971 WeakPolarHBondContact OE2-CB 3.35Å; E941-H971 IonicContact OE2-CG 3.48Å; E941-H971 IonicContact OE2-ND1 2.69Å; E941-H971 PolarHBondContact OE2-ND1 3.01Å; E941-V972 HydrophobicContact CB-CB 3.82Å; E941-V972 HydrophobicContact CB-CG2 3.79Å; E941-V972 PolarHBondContact OE2-N 2.96Å; E941-F1149 HydrophobicContact CG-CE1 3.75Å; E941-F1149 HydrophobicContact CG-CZ 3.43Å; E941-F1149 VanDerWaalsContact CG-CZ 3.43Å; E941-F1149 WeakPolarHBondContact OE1-CE1 3.35Å
942L95.8Very high93.2Very high1 Ų133.1 Ų33.11%0.00517%0.17CC..Hα-helixtrans-59.8-42.4173.7177.261.6000111.5L938 R940 L946 L959 I964 V972 I974 L1075 I1078L938-L942 WeakPolarHBondContact O-CB 3.03Å; L938-L942 PolarHBondContact O-N 3.39Å; R940-L942 PolarHBondContact O-N 2.85Å; L942-L946 WeakPolarHBondContact O-CB 3.27Å; L942-L946 PolarHBondContact O-N 3.15Å; L942-L959 HydrophobicContact CD1-CD1 4.38Å; L942-I964 HydrophobicContact CD1-CD1 3.59Å; L942-I964 HydrophobicContact CD1-CG1 3.88Å; L942-I964 HydrophobicContact CD1-CG2 4.28Å; L942-I964 HydrophobicContact CD2-CD1 3.66Å; L942-I964 HydrophobicContact CG-CD1 4.29Å; L942-V972 HydrophobicContact CB-CG1 4.26Å; L942-V972 HydrophobicContact CD1-CG1 4.37Å; L942-I974 HydrophobicContact CD1-CD1 4.03Å; L942-I974 HydrophobicContact CD1-CG1 3.86Å; L942-L1075 HydrophobicContact CD2-CD1 3.44Å; L942-L1075 VanDerWaalsContact CD2-CD1 3.44Å; L942-L1075 HydrophobicContact CG-CD1 3.84Å; L942-I1078 HydrophobicContact CD2-CG2 3.97Å
943T96Very high93.2Very high1 Ų130.9 Ų30.91%0.00616%0.159CC..Hα-helixtrans-71.3-33.8179.4-50.40000111.8F939 R940 E941 L946 A947 L1075 A1137 L1140 L1141F939-T943 WeakPolarHBondContact O-CB 3.41Å; F939-T943 PolarHBondContact O-N 3.07Å; F939-T943 PolarHBondContact O-OG1 3.27Å; R940-T943 PolarHBondContact O-N 3.06Å; E941-T943 VanDerWaalsContact C-N 3.31Å; E941-T943 PolarHBondContact O-N 3.08Å; T943-L946 PolarHBondContact O-N 3.45Å; T943-A947 WeakPolarHBondContact O-CB 3.5Å; T943-A947 PolarHBondContact O-N 3.12Å; T943-L1075 HydrophobicContact CG2-CD2 4.29Å; T943-A1137 HydrophobicContact CG2-CB 4.17Å; T943-A1137 WeakPolarHBondContact CG2-O 3.18Å; T943-L1140 HydrophobicContact CG2-CB 3.78Å; T943-L1140 HydrophobicContact CG2-CD1 4.25Å; T943-L1141 HydrophobicContact CG2-CD1 4.4Å; T943-L1141 HydrophobicContact CG2-CD2 4.08Å; T943-L1141 HydrophobicContact CG2-CG 3.8Å
944D94.8Very high93.3Very high67 Ų6726.7 Ų26.736%0.35814%0.137SC..Hα-helixtrans-68.8-46.6176.9-16048.6000111.8H696 R940 E941 L946 A947 Y948 L1141H696-D944 IonicContact CE1-OD2 2.65Å; H696-D944 PolarHBondContact CE1-OD2 3.14Å; H696-D944 IonicContact NE2-OD2 3.55Å; R940-D944 WeakPolarHBondContact O-CB 3.25Å; R940-D944 PolarHBondContact O-N 3.44Å; E941-D944 PolarHBondContact O-N 2.81Å; D944-L946 VanDerWaalsContact C-N 3.27Å; D944-L946 PolarHBondContact O-N 3.01Å; D944-A947 PolarHBondContact O-N 2.69Å; D944-Y948 PolarHBondContact O-N 3Å; D944-L1141 HydrophobicContact CB-CD1 4.31Å; D944-L1141 HydrophobicContact CB-CD2 4.13Å
945G94.8Very high93.2Very high0 Ų023.6 Ų23.60%013%0.125CC..Hα-helixtrans-55.6-41.3168.200000112.6E941 Y948 I949E941-G945 PolarHBondContact O-N 3.04Å; G945-Y948 PolarHBondContact O-N 2.81Å; G945-I949 WeakPolarHBondContact O-CD1 3.5Å; G945-I949 VanDerWaalsContact O-CG1 3.24Å; G945-I949 WeakPolarHBondContact O-CG1 3.32Å; G945-I949 PolarHBondContact O-N 2.81Å
946L95.9Very high93Very high0 Ų023.6 Ų23.60%013%0.125CC..Hα-helixtrans-68-42177.8-150.876.8000112.6L942 T943 D944 Y948 I949 H950 L959 D1071 I1072 L1075 A1137L942-L946 WeakPolarHBondContact O-CB 3.27Å; L942-L946 PolarHBondContact O-N 3.15Å; T943-L946 PolarHBondContact O-N 3.45Å; D944-L946 VanDerWaalsContact C-N 3.27Å; D944-L946 PolarHBondContact O-N 3.01Å; L946-Y948 VanDerWaalsContact C-N 3.31Å; L946-Y948 PolarHBondContact O-N 2.81Å; L946-I949 HydrophobicContact CD1-CD1 4.47Å; L946-I949 WeakPolarHBondContact O-CB 3.42Å; L946-I949 PolarHBondContact O-N 3.11Å; L946-H950 WeakPolarHBondContact O-CB 2.82Å; L946-H950 PolarHBondContact O-CD2 3.03Å; L946-H950 PolarHBondContact O-N 2.81Å; L946-L959 HydrophobicContact CD1-CD1 4.06Å; L946-L959 HydrophobicContact CD1-CD2 3.87Å; L946-L959 HydrophobicContact CD2-CD2 4.33Å; L946-D1071 HydrophobicContact CD1-CB 4.14Å; L946-D1071 HydrophobicContact CD2-CB 3.97Å; L946-D1071 HydrophobicContact CG-CB 4.4Å; L946-I1072 HydrophobicContact CD2-CD1 3.95Å; L946-L1075 HydrophobicContact CD2-CD2 4.09Å; L946-A1137 HydrophobicContact CB-CB 4.24Å; L946-A1137 HydrophobicContact CD2-CB 4.42Å
947A95.4Very high92.7Very high10 Ų1025.3 Ų25.38%0.08313%0.132CC..Hα-helixtrans-62.1-39.1175.600000111.6T943 D944 H950 S951 A1137 L1141T943-A947 WeakPolarHBondContact O-CB 3.5Å; T943-A947 PolarHBondContact O-N 3.12Å; D944-A947 PolarHBondContact O-N 2.69Å; A947-H950 PolarHBondContact O-N 2.65Å; A947-S951 WeakPolarHBondContact O-CB 3.34Å; A947-S951 PolarHBondContact O-N 2.83Å; A947-A1137 HydrophobicContact CB-CB 3.74Å; A947-L1141 HydrophobicContact CB-CD1 3.56Å
948Y95.8Very high92.6Very high48 Ų4824.5 Ų24.519%0.18813%0.125CC..Hα-helixtrans-61.2-49.4171.3-178.3-81.8000111.7L694 Q695 H696 I699 D944 G945 L946 H950 S951 K952L694-Y948 HydrophobicContact CB-CE1 4.31Å; L694-Y948 HydrophobicContact CD2-CD1 4.1Å; L694-Y948 HydrophobicContact CD2-CE1 3.74Å; Q695-Y948 PolarHBondContact N-OH 2.76Å; Q695-Y948 VanDerWaalsContact N-OH 3.1Å; Q695-Y948 WeakPolarHBondContact O-CE2 3.23Å; Q695-Y948 PolarHBondContact O-OH 2.93Å; H696-Y948 HydrophobicContact CB-CD1 3.92Å; H696-Y948 HydrophobicContact CB-CD2 4.09Å; H696-Y948 HydrophobicContact CB-CE1 4.2Å; H696-Y948 HydrophobicContact CB-CE2 4.32Å; H696-Y948 HydrophobicContact CB-CG 3.87Å; H696-Y948 AromaticContact CD2-CD2 3.36Å; H696-Y948 WeakPolarHBondContact CD2-CD2 3.25Å; H696-Y948 AromaticContact CD2-CE2 3.97Å; H696-Y948 AromaticContact CD2-CG 3.71Å; H696-Y948 AromaticContact CG-CD2 3.92Å; H696-Y948 AromaticContact CG-CG 3.82Å; I699-Y948 HydrophobicContact CD1-CD1 3.59Å; I699-Y948 HydrophobicContact CD1-CE1 4.17Å; I699-Y948 HydrophobicContact CD1-CG 4.4Å; D944-Y948 PolarHBondContact O-N 3Å; G945-Y948 PolarHBondContact O-N 2.81Å; L946-Y948 VanDerWaalsContact C-N 3.31Å; L946-Y948 PolarHBondContact O-N 2.81Å; Y948-H950 VanDerWaalsContact C-N 3.32Å; Y948-H950 PolarHBondContact O-N 2.74Å; Y948-S951 PolarHBondContact O-N 3.17Å; Y948-S951 PolarHBondContact O-OG 3.33Å; Y948-K952 HydrophobicContact CD1-CG 4.26Å; Y948-K952 HydrophobicContact CE1-CG 3.84Å; Y948-K952 VanDerWaalsContact CZ-CE 3.41Å; Y948-K952 PolarHBondContact O-N 3.43Å; Y948-K952 WeakPolarHBondContact OH-CE 3.35Å
949I93.8Very high92.5Very high0 Ų024.4 Ų24.40%013%0.125CC..Hα-helixtrans-54.8-49.2177.5-68.2163.9000110.2L694 I699 G945 L946 S951 K952 V954 I974 F977L694-I949 HydrophobicContact CD1-CG1 4.35Å; I699-I949 HydrophobicContact CD1-CD1 4.05Å; I699-I949 HydrophobicContact CD1-CG1 3.55Å; I699-I949 HydrophobicContact CG1-CD1 4.3Å; I699-I949 HydrophobicContact CG1-CG1 4.33Å; G945-I949 WeakPolarHBondContact O-CD1 3.5Å; G945-I949 VanDerWaalsContact O-CG1 3.24Å; G945-I949 WeakPolarHBondContact O-CG1 3.32Å; G945-I949 PolarHBondContact O-N 2.81Å; L946-I949 HydrophobicContact CD1-CD1 4.47Å; L946-I949 WeakPolarHBondContact O-CB 3.42Å; L946-I949 PolarHBondContact O-N 3.11Å; I949-S951 PolarHBondContact O-N 2.92Å; I949-K952 PolarHBondContact O-N 3.39Å; I949-V954 HydrophobicContact CG2-CB 3.71Å; I949-V954 HydrophobicContact CG2-CG1 3.64Å; I949-V954 WeakPolarHBondContact O-CB 3.31Å; I949-V954 PolarHBondContact O-N 3.28Å; I949-V954 VanDerWaalsContact O-N 3.1Å; I949-I974 HydrophobicContact CD1-CD1 3.79Å; I949-I974 HydrophobicContact CD1-CG2 4.16Å; I949-F977 HydrophobicContact CD1-CE1 3.81Å; I949-F977 HydrophobicContact CD1-CZ 3.65Å; I949-F977 HydrophobicContact CG1-CE1 4.07Å; I949-F977 HydrophobicContact CG1-CZ 4.18Å; I949-F977 HydrophobicContact CG2-CE1 4.39Å
950H94.4Very high92.4Very high26 Ų2625.8 Ų25.812%0.1213%0.13CC..Hα-helixtrans-64.2-39.8179.9-64.4-179.4000111.9L946 A947 Y948 K952 G953 V954 E1068 D1071L946-H950 WeakPolarHBondContact O-CB 2.82Å; L946-H950 PolarHBondContact O-CD2 3.03Å; L946-H950 PolarHBondContact O-N 2.81Å; A947-H950 PolarHBondContact O-N 2.65Å; Y948-H950 VanDerWaalsContact C-N 3.32Å; Y948-H950 PolarHBondContact O-N 2.74Å; H950-K952 PolarHBondContact O-N 2.67Å; H950-G953 WeakPolarHBondContact O-CA 3.45Å; H950-G953 PolarHBondContact O-N 2.83Å; H950-V954 PolarHBondContact CD2-O 2.91Å; H950-E1068 HydrophobicContact CB-CB 4.28Å; H950-E1068 HydrophobicContact CB-CG 4.2Å; H950-E1068 PolarHBondContact CE1-O 3.33Å; H950-E1068 VanDerWaalsContact CE1-O 3.31Å; H950-D1071 IonicContact CD2-OD2 2.65Å; H950-D1071 IonicContact CE1-OD2 3.31Å; H950-D1071 IonicContact NE2-OD2 2.67Å; H950-D1071 PolarHBondContact NE2-OD2 2.74Å
951S92.3Very high92.4Very high85 Ų8522.9 Ų22.959%0.59412%0.12SC*.Hα-helixtrans-62.6-27.1176.281.40000114A947 Y948 I949 G953A947-S951 WeakPolarHBondContact O-CB 3.34Å; A947-S951 PolarHBondContact O-N 2.83Å; Y948-S951 PolarHBondContact O-N 3.17Å; Y948-S951 PolarHBondContact O-OG 3.33Å; I949-S951 PolarHBondContact O-N 2.92Å; S951-G953 PolarHBondContact O-N 2.94Å
952K90.5Very high92.2Very high107 Ų10725 Ų2547%0.46514%0.139SC..THydrogen-bonded Turntrans-83.38.3173.4-61-58.2-174.4-175.80112.8L694 Y948 I949 H950 V954L694-K952 HydrophobicContact CD2-CB 3.91Å; L694-K952 HydrophobicContact CD2-CG 3.85Å; Y948-K952 HydrophobicContact CD1-CG 4.26Å; Y948-K952 HydrophobicContact CE1-CG 3.84Å; Y948-K952 VanDerWaalsContact CZ-CE 3.41Å; Y948-K952 PolarHBondContact O-N 3.43Å; Y948-K952 WeakPolarHBondContact OH-CE 3.35Å; I949-K952 PolarHBondContact O-N 3.39Å; H950-K952 PolarHBondContact O-N 2.67Å; K952-V954 VanDerWaalsContact C-N 3.27Å; K952-V954 HydrophobicContact CB-CG2 4.28Å; K952-V954 PolarHBondContact O-N 3.3Å
953G87.4Confident92Very high19 Ų1925.6 Ų25.620%0.19614%0.142CC..THydrogen-bonded Turntrans66.329.1-176.400000112.5H950 S951 R982 T983H950-G953 WeakPolarHBondContact O-CA 3.45Å; H950-G953 PolarHBondContact O-N 2.83Å; S951-G953 PolarHBondContact O-N 2.94Å; G953-R982 CarbonylContact O-C 3.52Å; G953-R982 WeakPolarHBondContact O-CA 3.38Å; G953-T983 PolarHBondContact O-N 3.01Å; G953-T983 PolarHBondContact O-OG1 3.23Å
954V87.6Confident91.9Very high3 Ų325.6 Ų25.62%0.01814%0.141CC..EExtended strand (participates in β ladder)trans-107.1147.4179.1178.20000110.1T690 L694 I949 H950 K952 A980 T981 R982T690-V954 HydrophobicContact CG2-CB 4.25Å; T690-V954 HydrophobicContact CG2-CG1 3.34Å; T690-V954 HydrophobicContact CG2-CG2 3.8Å; L694-V954 HydrophobicContact CD2-CG2 4.43Å; I949-V954 HydrophobicContact CG2-CB 3.71Å; I949-V954 HydrophobicContact CG2-CG1 3.64Å; I949-V954 WeakPolarHBondContact O-CB 3.31Å; I949-V954 PolarHBondContact O-N 3.28Å; I949-V954 VanDerWaalsContact O-N 3.1Å; H950-V954 PolarHBondContact CD2-O 2.91Å; K952-V954 VanDerWaalsContact C-N 3.27Å; K952-V954 HydrophobicContact CB-CG2 4.28Å; K952-V954 PolarHBondContact O-N 3.3Å; V954-A980 HydrophobicContact CG1-CB 4.27Å; V954-T981 CarbonylContact C-O 3.52Å; V954-T981 WeakPolarHBondContact CA-O 3.34Å; V954-R982 HydrophobicContact CG2-CG 4.22Å
955I89.5Confident91.8Very high1 Ų124.8 Ų24.81%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-123.5131172.9-47.3168.1000107.4R957 A980 T981 T983 Y1066 D1067 E1068 V1070 D1071I955-R957 HydrophobicContact CB-CG 4.34Å; I955-R957 HydrophobicContact CG2-CG 3.69Å; I955-A980 CarbonylContact O-C 3.55Å; I955-A980 WeakPolarHBondContact O-CA 2.99Å; I955-A980 WeakPolarHBondContact O-CB 3.03Å; I955-T981 HydrophobicContact CB-CG2 4.25Å; I955-T981 HydrophobicContact CD1-CG2 4.1Å; I955-T981 HydrophobicContact CG1-CG2 4.49Å; I955-T981 PolarHBondContact N-O 3.41Å; I955-T981 PolarHBondContact O-N 3.28Å; I955-T983 HydrophobicContact CD1-CG2 4.08Å; I955-T983 HydrophobicContact CG1-CG2 4.02Å; I955-Y1066 HydrophobicContact CD1-CD2 4.33Å; I955-D1067 WeakPolarHBondContact CD1-O 3.3Å; I955-E1068 HydrophobicContact CG1-CB 4.33Å; I955-V1070 HydrophobicContact CG2-CG2 3.32Å; I955-D1071 WeakPolarHBondContact CG2-OD2 3.35Å
956H90.2Very high91.6Very high0 Ų024.8 Ų24.80%014%0.136CC..  trans-77.4-47.1-173-168.5-93.3000113.3D958 L959 V975 F977 L979 A980 D1071H956-D958 PolarHBondContact CE1-O 2.95Å; H956-D958 VanDerWaalsContact ND1-C 3.35Å; H956-D958 PolarHBondContact O-N 3.18Å; H956-L959 PolarHBondContact ND1-N 2.82Å; H956-V975 PolarHBondContact CE1-O 3.32Å; H956-V975 PolarHBondContact NE2-O 2.9Å; H956-F977 AromaticContact CD2-CD1 3.75Å; H956-F977 AromaticContact CD2-CE1 3.65Å; H956-F977 AromaticContact CD2-CZ 3.83Å; H956-F977 AromaticContact NE2-CD2 3.92Å; H956-L979 CarbonylContact O-C 3.59Å; H956-A980 WeakPolarHBondContact O-CA 3.14Å; H956-A980 PolarHBondContact O-N 2.87Å; H956-D1071 PolarHBondContact N-OD1 3Å; H956-D1071 PolarHBondContact N-OD2 2.77Å
957R86.1Confident91.2Very high63 Ų6325.9 Ų25.924%0.23814%0.142CC..SBendtrans63.1-11.7177.7-57.9-171.1-69161.22.9118.6I955 L979 A980 Y1066 V1070 D1071I955-R957 HydrophobicContact CB-CG 4.34Å; I955-R957 HydrophobicContact CG2-CG 3.69Å; R957-L979 HydrophobicContact CB-CB 4.18Å; R957-L979 PolarHBondContact NE-O 2.94Å; R957-L979 PolarHBondContact NH2-O 3.41Å; R957-A980 PolarHBondContact NH2-O 2.87Å; R957-Y1066 PolarHBondContact NH1-OH 2.69Å; R957-V1070 HydrophobicContact CG-CG2 4.06Å; R957-D1071 PolarHBondContact N-OD1 2.75Å
958D87.9Confident90.5Very high14 Ų1429.7 Ų29.78%0.07517%0.168CC..  trans-124.344.4169.6-162.320.9000112H956 K960 N963 L979H956-D958 PolarHBondContact CE1-O 2.95Å; H956-D958 VanDerWaalsContact ND1-C 3.35Å; H956-D958 PolarHBondContact O-N 3.18Å; D958-K960 PolarHBondContact O-N 3.44Å; D958-K960 WeakPolarHBondContact OD1-CE 3.19Å; D958-K960 IonicContact OD1-NZ 2.81Å; D958-K960 PolarHBondContact OD1-NZ 2.94Å; D958-K960 IonicContact OD2-NZ 3.23Å; D958-K960 PolarHBondContact OD2-NZ 2.9Å; D958-N963 PolarHBondContact O-ND2 3.36Å; D958-N963 PolarHBondContact OD2-ND2 2.85Å; D958-N963 VanDerWaalsContact OD2-ND2 3.07Å; D958-L979 HydrophobicContact CB-CB 4.18Å; D958-L979 HydrophobicContact CB-CD1 4.09Å; D958-L979 HydrophobicContact CB-CG 4.31Å
959L92.1Very high90Very high1 Ų132.8 Ų32.81%0.00519%0.188CC..  trans-78.1114.3-180-161.978.3000110L942 L946 H956 I974 S1074 L1075 I1078L942-L959 HydrophobicContact CD1-CD1 4.38Å; L946-L959 HydrophobicContact CD1-CD1 4.06Å; L946-L959 HydrophobicContact CD1-CD2 3.87Å; L946-L959 HydrophobicContact CD2-CD2 4.33Å; H956-L959 PolarHBondContact ND1-N 2.82Å; L959-I974 HydrophobicContact CD1-CG2 4.21Å; L959-S1074 WeakPolarHBondContact O-CB 3.31Å; L959-L1075 HydrophobicContact CD2-CB 4.29Å; L959-I1078 HydrophobicContact CD2-CD1 3.92Å; L959-I1078 HydrophobicContact CG-CD1 3.87Å
960K92.6Very high89.7Confident28 Ų2835.3 Ų35.312%0.12220%0.201CC..  trans-155157.8-179.662.9-165.5175.7-146.40110D958 A962 N963 T1047 Y1050D958-K960 PolarHBondContact O-N 3.44Å; D958-K960 WeakPolarHBondContact OD1-CE 3.19Å; D958-K960 IonicContact OD1-NZ 2.81Å; D958-K960 PolarHBondContact OD1-NZ 2.94Å; D958-K960 IonicContact OD2-NZ 3.23Å; D958-K960 PolarHBondContact OD2-NZ 2.9Å; K960-A962 HydrophobicContact CG-CB 4.39Å; K960-A962 PolarHBondContact O-N 3.45Å; K960-N963 VanDerWaalsContact CE-CG 3.48Å; K960-N963 WeakPolarHBondContact CE-ND2 2.95Å; K960-N963 WeakPolarHBondContact CE-OD1 3.36Å; K960-N963 HydrophobicContact CG-CB 4.03Å; K960-N963 CarbonylContact O-C 3.3Å; K960-N963 WeakPolarHBondContact O-CA 3.46Å; K960-N963 PolarHBondContact O-N 3.05Å; K960-T1047 PolarHBondContact NZ-OG1 3.48Å; K960-Y1050 HydrophobicContact CB-CD1 4.2Å; K960-Y1050 HydrophobicContact CB-CD2 3.56Å; K960-Y1050 HydrophobicContact CB-CE1 4.25Å; K960-Y1050 HydrophobicContact CB-CE2 3.61Å; K960-Y1050 HydrophobicContact CB-CG 3.88Å
961P93.4Very high89.5Confident0 Ų037.1 Ų37.10%021%0.21CC..G310 helixtrans-62.9-14.7-175.6-27.639.3000115.9L919 R920 I923 Y1050 I1078L919-P961 HydrophobicContact CB-CB 4.1Å; L919-P961 HydrophobicContact CD2-CB 4.24Å; L919-P961 HydrophobicContact CG-CB 4.13Å; L919-P961 PolarHBondContact N-O 2.82Å; R920-P961 HydrophobicContact CB-CB 4.06Å; R920-P961 PolarHBondContact N-O 2.58Å; I923-P961 HydrophobicContact CD1-CB 4.04Å; I923-P961 HydrophobicContact CD1-CG 4.07Å; P961-Y1050 WeakPolarHBondContact CD-OH 3.34Å; P961-Y1050 HydrophobicContact CG-CE1 4.47Å; P961-I1078 HydrophobicContact CG-CG1 3.96Å; P961-I1078 HydrophobicContact CG-CG2 4.31Å
962A89.2Confident89.6Confident52 Ų5233.1 Ų33.143%0.4318%0.182SC..G310 helixtrans-77.3-25.417000000112.9R920 K960 I964R920-A962 HydrophobicContact CB-CB 4.46Å; K960-A962 HydrophobicContact CG-CB 4.39Å; K960-A962 PolarHBondContact O-N 3.45Å; A962-I964 VanDerWaalsContact C-N 3.32Å
963N91.7Very high89.8Confident13 Ų1328.7 Ų28.77%0.0716%0.162CC..G310 helixtrans-98.120.1178.8-67.813.5000111.9D958 K960 V975D958-N963 PolarHBondContact O-ND2 3.36Å; D958-N963 PolarHBondContact OD2-ND2 2.85Å; D958-N963 VanDerWaalsContact OD2-ND2 3.07Å; K960-N963 VanDerWaalsContact CE-CG 3.48Å; K960-N963 WeakPolarHBondContact CE-ND2 2.95Å; K960-N963 WeakPolarHBondContact CE-OD1 3.36Å; K960-N963 HydrophobicContact CG-CB 4.03Å; K960-N963 CarbonylContact O-C 3.3Å; K960-N963 WeakPolarHBondContact O-CA 3.46Å; K960-N963 PolarHBondContact O-N 3.05Å; N963-V975 HydrophobicContact CB-CG2 4.33Å; N963-V975 VanDerWaalsContact O-CG2 3.27Å; N963-V975 WeakPolarHBondContact O-CG2 3.29Å; N963-V975 PolarHBondContact O-N 2.86Å
964I94.1Very high90.1Very high0 Ų027.8 Ų27.80%015%0.153CC..EExtended strand (participates in β ladder)trans-127.8107.2174.8-61.1165.2000105S918 L919 L942 A962 V972 I1078S918-I964 CarbonylContact C-O 3.56Å; S918-I964 WeakPolarHBondContact CA-O 3.28Å; L919-I964 HydrophobicContact CB-CB 3.98Å; L919-I964 HydrophobicContact CB-CG2 3.94Å; L919-I964 HydrophobicContact CD2-CB 4.32Å; L919-I964 HydrophobicContact CD2-CD1 3.96Å; L919-I964 HydrophobicContact CD2-CG2 4.07Å; L919-I964 PolarHBondContact N-O 2.79Å; L942-I964 HydrophobicContact CD1-CD1 3.59Å; L942-I964 HydrophobicContact CD1-CG1 3.88Å; L942-I964 HydrophobicContact CD1-CG2 4.28Å; L942-I964 HydrophobicContact CD2-CD1 3.66Å; L942-I964 HydrophobicContact CG-CD1 4.29Å; A962-I964 VanDerWaalsContact C-N 3.32Å; I964-V972 HydrophobicContact CG2-CG1 3.76Å; I964-I1078 HydrophobicContact CD1-CD1 3.87Å; I964-I1078 HydrophobicContact CD1-CG2 4.4Å
965M92.9Very high90.2Very high50 Ų5028.7 Ų28.725%0.24616%0.159CC..EExtended strand (participates in β ladder)trans-94.8159.2174.8-69.3-158.669.800110.3C914 S916 V972 K973 V975C914-M965 HydrophobicContact CB-CB 3.93Å; C914-M965 HydrophobicContact CB-CE 3.8Å; C914-M965 HydrophobicContact CB-SD 3.91Å; C914-M965 WeakPolarHBondContact O-CE 3.46Å; S916-M965 VanDerWaalsContact O-CE 3.29Å; S916-M965 WeakPolarHBondContact O-CE 3.36Å; M965-V972 CarbonylContact O-C 3.56Å; M965-K973 HydrophobicContact CB-CB 4.41Å; M965-K973 PolarHBondContact N-O 3.06Å; M965-K973 PolarHBondContact O-N 2.93Å; M965-V975 HydrophobicContact CB-CG1 4.39Å; M965-V975 HydrophobicContact CG-CG1 4.15Å; M965-V975 HydrophobicContact CG-CG2 4.11Å; M965-V975 HydrophobicContact SD-CG1 4.48Å
966L91Very high89.9Confident1 Ų130.8 Ų30.81%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-105.3158.4163.5-52.2-174.7000109.3S916 K917 V922 L938 D970 H971 V972S916-L966 VanDerWaalsContact CB-O 3.31Å; S916-L966 WeakPolarHBondContact CB-O 2.93Å; K917-L966 PolarHBondContact O-N 3.18Å; V922-L966 HydrophobicContact CG2-CD1 3.84Å; L938-L966 HydrophobicContact CD1-CD1 4.35Å; L938-L966 HydrophobicContact CD2-CD1 4.27Å; L938-L966 HydrophobicContact CD2-CD2 3.58Å; L966-D970 VanDerWaalsContact CD1-OD1 3.31Å; L966-D970 WeakPolarHBondContact CD1-OD1 3.45Å; L966-H971 CarbonylContact C-O 3.59Å; L966-H971 WeakPolarHBondContact CA-O 3.45Å; L966-V972 HydrophobicContact CD2-CG2 3.97Å
967D86.9Confident89.4Confident23 Ų2330.8 Ų30.812%0.12317%0.17CC..  trans-95.1-169.8168.973.915.5000112.3S916 N969 D970 H971 K973S916-D967 VanDerWaalsContact CB-C 3.49Å; S916-D967 WeakPolarHBondContact CB-O 3.44Å; S916-D967 PolarHBondContact OG-O 2.95Å; D967-N969 PolarHBondContact O-N 3.1Å; D967-N969 WeakPolarHBondContact OD1-CA 3.21Å; D967-N969 WeakPolarHBondContact OD1-CB 3.5Å; D967-N969 PolarHBondContact OD1-N 3.38Å; D967-D970 PolarHBondContact O-N 3.18Å; D967-D970 PolarHBondContact OD1-N 2.8Å; D967-H971 PolarHBondContact N-O 3.22Å; D967-H971 PolarHBondContact OD1-N 3.32Å; D967-H971 VanDerWaalsContact OD1-N 3.14Å; D967-K973 HydrophobicContact CB-CG 4.45Å
968S82.3Confident88.5Confident90 Ų9028 Ų2863%0.62916%0.16SC*.THydrogen-bonded Turntrans-66.9-16.7179.756.40000114.3
969N84.4Confident87.4Confident113 Ų11330.4 Ų30.460%0.60417%0.173SC*.THydrogen-bonded Turntrans-106.710.8-174.8-56.5-7.6000111.6D967 H971D967-N969 PolarHBondContact O-N 3.1Å; D967-N969 WeakPolarHBondContact OD1-CA 3.21Å; D967-N969 WeakPolarHBondContact OD1-CB 3.5Å; D967-N969 PolarHBondContact OD1-N 3.38Å; N969-H971 VanDerWaalsContact C-N 3.29Å; N969-H971 PolarHBondContact O-N 3.29Å
970D87.2Confident86.3Confident52 Ų5230.3 Ų30.328%0.27817%0.172SC..SBendtrans70.812.9-176.3-148.755.1000114.8R934 L938 L966 D967R934-D970 IonicContact CZ-OD1 2.73Å; R934-D970 IonicContact CZ-OD2 3.66Å; R934-D970 IonicContact NE-OD1 2.69Å; R934-D970 IonicContact NE-OD2 3.82Å; R934-D970 PolarHBondContact NE-OD2 3.17Å; R934-D970 IonicContact NH2-OD1 2.84Å; R934-D970 PolarHBondContact NH2-OD1 2.85Å; R934-D970 IonicContact NH2-OD2 3.77Å; L938-D970 VanDerWaalsContact CD2-O 3.23Å; L938-D970 WeakPolarHBondContact CD2-O 3.37Å; L966-D970 VanDerWaalsContact CD1-OD1 3.31Å; L966-D970 WeakPolarHBondContact CD1-OD1 3.45Å; D967-D970 PolarHBondContact O-N 3.18Å; D967-D970 PolarHBondContact OD1-N 2.8Å
971H90.5Very high85.3Confident64 Ų6429.6 Ų29.630%0.29617%0.17SC..  trans-81.8145.7176.6-65.5-58.7000112.8E941 L966 D967 N969E941-H971 IonicContact OE1-CE1 2.85Å; E941-H971 IonicContact OE1-CG 3.9Å; E941-H971 IonicContact OE1-ND1 2.84Å; E941-H971 PolarHBondContact OE1-ND1 2.84Å; E941-H971 WeakPolarHBondContact OE2-CA 3.41Å; E941-H971 WeakPolarHBondContact OE2-CB 3.35Å; E941-H971 IonicContact OE2-CG 3.48Å; E941-H971 IonicContact OE2-ND1 2.69Å; E941-H971 PolarHBondContact OE2-ND1 3.01Å; L966-H971 CarbonylContact C-O 3.59Å; L966-H971 WeakPolarHBondContact CA-O 3.45Å; D967-H971 PolarHBondContact N-O 3.22Å; D967-H971 PolarHBondContact OD1-N 3.32Å; D967-H971 VanDerWaalsContact OD1-N 3.14Å; N969-H971 VanDerWaalsContact C-N 3.29Å; N969-H971 PolarHBondContact O-N 3.29Å
972V93.7Very high83.9Confident1 Ų133.9 Ų33.91%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-71.5140.2-178.4174.60000112.2N698 L938 E941 L942 I964 M965 L966N698-V972 WeakPolarHBondContact CA-O 3.43Å; N698-V972 WeakPolarHBondContact CB-O 3.45Å; N698-V972 PolarHBondContact ND2-O 3Å; L938-V972 HydrophobicContact CB-CG2 4.16Å; L938-V972 HydrophobicContact CD2-CG2 3.66Å; L938-V972 WeakPolarHBondContact O-CG2 3.46Å; E941-V972 HydrophobicContact CB-CB 3.82Å; E941-V972 HydrophobicContact CB-CG2 3.79Å; E941-V972 PolarHBondContact OE2-N 2.96Å; L942-V972 HydrophobicContact CB-CG1 4.26Å; L942-V972 HydrophobicContact CD1-CG1 4.37Å; I964-V972 HydrophobicContact CG2-CG1 3.76Å; M965-V972 CarbonylContact O-C 3.56Å; L966-V972 HydrophobicContact CD2-CG2 3.97Å
973K94.2Very high82.5Confident15 Ų1532.7 Ų32.77%0.06517%0.174CC..EExtended strand (participates in β ladder)trans-133108.8170.6-60.5-73.3177.6164.10109.4E697 E912 M965 D967E697-K973 WeakPolarHBondContact O-CD 3.46Å; E697-K973 WeakPolarHBondContact O-CE 3.24Å; E697-K973 PolarHBondContact O-NZ 3.17Å; E912-K973 WeakPolarHBondContact OE1-CE 3.48Å; E912-K973 IonicContact OE1-NZ 3.18Å; E912-K973 PolarHBondContact OE1-NZ 3.4Å; E912-K973 IonicContact OE2-NZ 2.74Å; M965-K973 HydrophobicContact CB-CB 4.41Å; M965-K973 PolarHBondContact N-O 3.06Å; M965-K973 PolarHBondContact O-N 2.93Å; D967-K973 HydrophobicContact CB-CG 4.45Å
974I94.3Very high80.6Confident0 Ų034.5 Ų34.50%019%0.185CC..EExtended strand (participates in β ladder)trans-70.1130.6173-59.1171000109.1N698 V700 L942 I949 L959 F977N698-I974 PolarHBondContact O-N 3.39Å; V700-I974 WeakPolarHBondContact CG1-O 3.24Å; V700-I974 PolarHBondContact N-O 3.41Å; L942-I974 HydrophobicContact CD1-CD1 4.03Å; L942-I974 HydrophobicContact CD1-CG1 3.86Å; I949-I974 HydrophobicContact CD1-CD1 3.79Å; I949-I974 HydrophobicContact CD1-CG2 4.16Å; L959-I974 HydrophobicContact CD1-CG2 4.21Å; I974-F977 HydrophobicContact CG2-CE2 4.09Å; I974-F977 HydrophobicContact CG2-CZ 4.07Å
975V89.8Confident78.1Confident22 Ų2241.7 Ų41.713%0.13322%0.219CC..  trans-130.3166.6-177.2-62.20000112.4V700 H956 N963 M965V700-V975 HydrophobicContact CB-CG1 3.75Å; V700-V975 HydrophobicContact CG1-CB 4.33Å; V700-V975 HydrophobicContact CG1-CG1 3.88Å; V700-V975 HydrophobicContact CG2-CG1 4.19Å; H956-V975 PolarHBondContact CE1-O 3.32Å; H956-V975 PolarHBondContact NE2-O 2.9Å; N963-V975 HydrophobicContact CB-CG2 4.33Å; N963-V975 VanDerWaalsContact O-CG2 3.27Å; N963-V975 WeakPolarHBondContact O-CG2 3.29Å; N963-V975 PolarHBondContact O-N 2.86Å; M965-V975 HydrophobicContact CB-CG1 4.39Å; M965-V975 HydrophobicContact CG-CG1 4.15Å; M965-V975 HydrophobicContact CG-CG2 4.11Å; M965-V975 HydrophobicContact SD-CG1 4.48Å
976D83Confident75.7Confident44 Ų4443 Ų4324%0.23522%0.224CC..  trans66.567.2171.4-157.921.5000116.7K672 G978K672-D976 IonicContact NZ-OD1 2.78Å; K672-D976 PolarHBondContact NZ-OD1 3.29Å; D976-G978 PolarHBondContact O-N 3.12Å; D976-G978 VanDerWaalsContact O-N 3.09Å
977F80.3Confident73.5Confident1 Ų149.5 Ų49.50%0.00425%0.253CS..G310 helixtrans-7921.1177.9-70.7-109.7000113.4E687 T690 L691 L694 I699 I949 H956 I974 L979 A980E687-F977 HydrophobicContact CG-CB 4.3Å; T690-F977 HydrophobicContact CG2-CD1 4.29Å; L691-F977 HydrophobicContact CD1-CD2 3.46Å; L691-F977 VanDerWaalsContact CD1-CD2 3.46Å; L691-F977 HydrophobicContact CD1-CE2 3.67Å; L691-F977 HydrophobicContact CD1-CG 3.96Å; L691-F977 HydrophobicContact CD1-CZ 4.32Å; L694-F977 HydrophobicContact CD1-CD1 3.87Å; L694-F977 HydrophobicContact CD1-CE1 3.27Å; L694-F977 HydrophobicContact CD1-CZ 3.8Å; I699-F977 HydrophobicContact CG2-CE2 3.94Å; I699-F977 HydrophobicContact CG2-CZ 3.79Å; I949-F977 HydrophobicContact CD1-CE1 3.81Å; I949-F977 HydrophobicContact CD1-CZ 3.65Å; I949-F977 HydrophobicContact CG1-CE1 4.07Å; I949-F977 HydrophobicContact CG1-CZ 4.18Å; I949-F977 HydrophobicContact CG2-CE1 4.39Å; H956-F977 AromaticContact CD2-CD1 3.75Å; H956-F977 AromaticContact CD2-CE1 3.65Å; H956-F977 AromaticContact CD2-CZ 3.83Å; H956-F977 AromaticContact NE2-CD2 3.92Å; I974-F977 HydrophobicContact CG2-CE2 4.09Å; I974-F977 HydrophobicContact CG2-CZ 4.07Å; F977-L979 PolarHBondContact O-N 3.48Å; F977-A980 HydrophobicContact CB-CB 3.84Å; F977-A980 HydrophobicContact CD1-CB 3.84Å; F977-A980 HydrophobicContact CG-CB 4.32Å; F977-A980 VanDerWaalsContact O-CB 3.26Å; F977-A980 WeakPolarHBondContact O-CB 3.31Å; F977-A980 PolarHBondContact O-N 3.24Å
978G66.3Low71.5Confident3 Ų353 Ų533%0.03127%0.271CS..G310 helixtrans-60.2-28.5-17800000114E687 D976E687-G978 VanDerWaalsContact CD-CA 3.49Å; E687-G978 PolarHBondContact OE1-N 3.47Å; E687-G978 WeakPolarHBondContact OE2-CA 3.16Å; D976-G978 PolarHBondContact O-N 3.12Å; D976-G978 VanDerWaalsContact O-N 3.09Å
979L65.6Low69.6Low65 Ų6554.8 Ų54.834%0.3427%0.271SS..G310 helixtrans-99.38.1170.8-61.4-170.4000113.8F654 H956 R957 D958 F977F654-L979 HydrophobicContact CZ-CD2 4Å; H956-L979 CarbonylContact O-C 3.59Å; R957-L979 HydrophobicContact CB-CB 4.18Å; R957-L979 PolarHBondContact NE-O 2.94Å; R957-L979 PolarHBondContact NH2-O 3.41Å; D958-L979 HydrophobicContact CB-CB 4.18Å; D958-L979 HydrophobicContact CB-CD1 4.09Å; D958-L979 HydrophobicContact CB-CG 4.31Å; F977-L979 PolarHBondContact O-N 3.48Å
980A69.9Low67.6Low0 Ų053.8 Ų53.80%027%0.265CS..  trans-67.1156.8-178.600000113.1R686 T690 V954 I955 H956 R957 F977R686-A980 VanDerWaalsContact CZ-O 3.29Å; R686-A980 PolarHBondContact NE-O 3.22Å; R686-A980 PolarHBondContact NH2-O 3.15Å; T690-A980 HydrophobicContact CG2-CB 3.93Å; V954-A980 HydrophobicContact CG1-CB 4.27Å; I955-A980 CarbonylContact O-C 3.55Å; I955-A980 WeakPolarHBondContact O-CA 2.99Å; I955-A980 WeakPolarHBondContact O-CB 3.03Å; H956-A980 WeakPolarHBondContact O-CA 3.14Å; H956-A980 PolarHBondContact O-N 2.87Å; R957-A980 PolarHBondContact NH2-O 2.87Å; F977-A980 HydrophobicContact CB-CB 3.84Å; F977-A980 HydrophobicContact CD1-CB 3.84Å; F977-A980 HydrophobicContact CG-CB 4.32Å; F977-A980 VanDerWaalsContact O-CB 3.26Å; F977-A980 WeakPolarHBondContact O-CB 3.31Å; F977-A980 PolarHBondContact O-N 3.24Å
981T70.3Confident65.6Low12 Ų1253.8 Ų53.87%0.07427%0.272CS..EExtended strand (participates in β ladder)trans-145.2154.4168.7-172.70000111.2V954 I955 Y1066V954-T981 CarbonylContact C-O 3.52Å; V954-T981 WeakPolarHBondContact CA-O 3.34Å; I955-T981 HydrophobicContact CB-CG2 4.25Å; I955-T981 HydrophobicContact CD1-CG2 4.1Å; I955-T981 HydrophobicContact CG1-CG2 4.49Å; I955-T981 PolarHBondContact N-O 3.41Å; I955-T981 PolarHBondContact O-N 3.28Å; T981-Y1066 HydrophobicContact CG2-CE2 4.23Å
982R64.7Low63.4Low91 Ų9159.4 Ų59.434%0.34329%0.291SS..EExtended strand (participates in β ladder)trans-76.3150.9161-71-177179.3-170.81.3111.4G953 V954 E986G953-R982 CarbonylContact O-C 3.52Å; G953-R982 WeakPolarHBondContact O-CA 3.38Å; V954-R982 HydrophobicContact CG2-CG 4.22Å; R982-E986 WeakPolarHBondContact CD-OE2 3.48Å; R982-E986 IonicContact CZ-OE1 2.83Å; R982-E986 IonicContact NH1-OE1 2.9Å; R982-E986 PolarHBondContact NH1-OE1 2.94Å; R982-E986 IonicContact NH1-OE2 2.79Å
983T58.7Low61Low27 Ų2765.8 Ų65.817%0.16632%0.321CS..  trans-66.5164.2179.154.70000112.1G953 I955 Q985 E986G953-T983 PolarHBondContact O-N 3.01Å; G953-T983 PolarHBondContact O-OG1 3.23Å; I955-T983 HydrophobicContact CD1-CG2 4.08Å; I955-T983 HydrophobicContact CG1-CG2 4.02Å; T983-Q985 PolarHBondContact O-N 3.12Å; T983-Q985 VanDerWaalsContact O-N 3.15Å; T983-E986 PolarHBondContact O-N 3.04Å
984V52.1Low58.8Low50 Ų5067.7 Ų67.730%0.30334%0.339SS..Hα-helixtrans-69.2-16.2-168.2-179.70000113.4E986 K987 L988 I1065V984-E986 VanDerWaalsContact C-N 3.29Å; V984-E986 PolarHBondContact O-N 2.93Å; V984-K987 PolarHBondContact O-N 3.25Å; V984-K987 VanDerWaalsContact O-N 3.17Å; V984-L988 WeakPolarHBondContact O-CB 3.45Å; V984-L988 PolarHBondContact O-N 3.45Å; V984-I1065 HydrophobicContact CB-CG1 4.44Å; V984-I1065 HydrophobicContact CG1-CG1 4.17Å; V984-I1065 HydrophobicContact CG2-CB 4.49Å; V984-I1065 HydrophobicContact CG2-CG1 4.01Å; V984-I1065 HydrophobicContact CG2-CG2 4.47Å
985Q42.4Very low56.7Low151 Ų15171 Ų7171%0.70636%0.359SS*.Hα-helixtrans-55.7-40.4175.9-77.6168.1-34.300112.7T983 L988 M989T983-Q985 PolarHBondContact O-N 3.12Å; T983-Q985 VanDerWaalsContact O-N 3.15Å; Q985-L988 PolarHBondContact O-N 2.83Å; Q985-M989 WeakPolarHBondContact O-CB 3.36Å; Q985-M989 PolarHBondContact O-N 3.03Å
986E42.6Very low54.6Low79 Ų7972.5 Ų72.537%0.36937%0.374SS..Hα-helixtrans-71.9-39.2178.5-138.8-178.7-126.800111.7R982 T983 V984 L988 M989 N990R982-E986 WeakPolarHBondContact CD-OE2 3.48Å; R982-E986 IonicContact CZ-OE1 2.83Å; R982-E986 IonicContact NH1-OE1 2.9Å; R982-E986 PolarHBondContact NH1-OE1 2.94Å; R982-E986 IonicContact NH1-OE2 2.79Å; T983-E986 PolarHBondContact O-N 3.04Å; V984-E986 VanDerWaalsContact C-N 3.29Å; V984-E986 PolarHBondContact O-N 2.93Å; E986-L988 VanDerWaalsContact C-N 3.29Å; E986-L988 PolarHBondContact O-N 3.04Å; E986-M989 PolarHBondContact O-N 3.49Å; E986-N990 WeakPolarHBondContact O-CB 3.27Å; E986-N990 PolarHBondContact O-N 3.01Å; E986-N990 PolarHBondContact O-ND2 2.93Å
987K44.6Very low52.6Low137 Ų13773.3 Ų73.360%0.59639%0.387SS*.Hα-helixtrans-63.5-34.5171.6-75.1-173.3178.1179.90112.1V984 A991V984-K987 PolarHBondContact O-N 3.25Å; V984-K987 VanDerWaalsContact O-N 3.17Å; K987-A991 WeakPolarHBondContact O-CB 3.45Å; K987-A991 PolarHBondContact O-N 2.85Å
988L44.1Very low50.9Low96 Ų9679.8 Ų79.850%0.50342%0.417SS..Hα-helixtrans-76.3-36.5177.9-141.281.7000112.3V984 Q985 E986 R992V984-L988 WeakPolarHBondContact O-CB 3.45Å; V984-L988 PolarHBondContact O-N 3.45Å; Q985-L988 PolarHBondContact O-N 2.83Å; E986-L988 VanDerWaalsContact C-N 3.29Å; E986-L988 PolarHBondContact O-N 3.04Å; L988-R992 VanDerWaalsContact O-CB 3.31Å; L988-R992 WeakPolarHBondContact O-CB 3.26Å; L988-R992 VanDerWaalsContact O-CG 3.27Å; L988-R992 WeakPolarHBondContact O-CG 3.36Å; L988-R992 PolarHBondContact O-N 2.94Å
989M43Very low49.9Very low128 Ų12887.1 Ų87.163%0.63145%0.448SS*.Hα-helixtrans-66.9-47.3172.6-83.3-174.1164.800111.5Q985 E986 A991 R992 Q993Q985-M989 WeakPolarHBondContact O-CB 3.36Å; Q985-M989 PolarHBondContact O-N 3.03Å; E986-M989 PolarHBondContact O-N 3.49Å; M989-A991 VanDerWaalsContact C-N 3.34Å; M989-A991 PolarHBondContact O-N 3.42Å; M989-R992 CarbonylContact O-C 3.36Å; M989-R992 PolarHBondContact O-N 3.31Å; M989-R992 VanDerWaalsContact O-N 3.13Å; M989-Q993 PolarHBondContact O-N 3.45Å
990N42.9Very low48.7Very low91 Ų9191.6 Ų91.649%0.48747%0.467SS..Hα-helixtrans-67.2-36.1178.9-65.4-10.1000111.5E986 Q993 A994E986-N990 WeakPolarHBondContact O-CB 3.27Å; E986-N990 PolarHBondContact O-N 3.01Å; E986-N990 PolarHBondContact O-ND2 2.93Å; N990-Q993 PolarHBondContact O-N 3.12Å; N990-A994 VanDerWaalsContact O-CB 3.32Å; N990-A994 WeakPolarHBondContact O-CB 3.29Å; N990-A994 PolarHBondContact O-N 3.22Å
991A44.4Very low47.2Very low52 Ų52100.4 Ų100.443%0.4351%0.505SS..Hα-helixtrans-64.2-42.1169.500000112.1K987 M989 Q993 A994 V995K987-A991 WeakPolarHBondContact O-CB 3.45Å; K987-A991 PolarHBondContact O-N 2.85Å; M989-A991 VanDerWaalsContact C-N 3.34Å; M989-A991 PolarHBondContact O-N 3.42Å; A991-Q993 PolarHBondContact O-N 3.39Å; A991-A994 PolarHBondContact O-N 3.21Å; A991-V995 WeakPolarHBondContact O-CB 3.32Å; A991-V995 VanDerWaalsContact O-CG2 3.26Å; A991-V995 WeakPolarHBondContact O-CG2 3.3Å; A991-V995 PolarHBondContact O-N 3.42Å
992R44.7Very low45.4Very low183 Ų183105 Ų10569%0.69154%0.537SS*.Hα-helixtrans-64.4-37.2175.1-81.5174.1167.3177.6-4.2112.7L988 M989 A996L988-R992 VanDerWaalsContact O-CB 3.31Å; L988-R992 WeakPolarHBondContact O-CB 3.26Å; L988-R992 VanDerWaalsContact O-CG 3.27Å; L988-R992 WeakPolarHBondContact O-CG 3.36Å; L988-R992 PolarHBondContact O-N 2.94Å; M989-R992 CarbonylContact O-C 3.36Å; M989-R992 PolarHBondContact O-N 3.31Å; M989-R992 VanDerWaalsContact O-N 3.13Å; R992-A996 WeakPolarHBondContact O-CB 3.27Å; R992-A996 PolarHBondContact O-N 3.12Å
993Q43.1Very low43.8Very low135 Ų135105 Ų10563%0.63155%0.55SS**Hα-helixtrans-72.6-38.8175.4-75.7-179.4-16.100112.4M989 N990 A991 A996 A997M989-Q993 PolarHBondContact O-N 3.45Å; N990-Q993 PolarHBondContact O-N 3.12Å; A991-Q993 PolarHBondContact O-N 3.39Å; Q993-A996 PolarHBondContact O-N 3.49Å; Q993-A997 WeakPolarHBondContact O-CB 3.49Å; Q993-A997 PolarHBondContact O-N 3.44Å
994A47.2Very low42.3Very low54 Ų54112.8 Ų112.845%0.44658%0.582SS.*Hα-helixtrans-62.2-48.2172.700000111.3N990 A991 A996 A997 E998N990-A994 VanDerWaalsContact O-CB 3.32Å; N990-A994 WeakPolarHBondContact O-CB 3.29Å; N990-A994 PolarHBondContact O-N 3.22Å; A991-A994 PolarHBondContact O-N 3.21Å; A994-A996 PolarHBondContact O-N 3.38Å; A994-A997 PolarHBondContact O-N 3.24Å; A994-E998 PolarHBondContact O-N 2.89Å
995V50.6Low41.4Very low71 Ų71118.9 Ų118.943%0.4361%0.607SS.*Hα-helixtrans-62.4-40.4175.31710000111.2A991 A997 E998 F999A991-V995 WeakPolarHBondContact O-CB 3.32Å; A991-V995 VanDerWaalsContact O-CG2 3.26Å; A991-V995 WeakPolarHBondContact O-CG2 3.3Å; A991-V995 PolarHBondContact O-N 3.42Å; V995-A997 VanDerWaalsContact C-N 3.35Å; V995-A997 PolarHBondContact O-N 3.4Å; V995-E998 PolarHBondContact O-N 3.42Å; V995-F999 HydrophobicContact CG1-CD2 3.77Å; V995-F999 HydrophobicContact CG1-CE2 3.96Å; V995-F999 WeakPolarHBondContact O-CB 3.03Å; V995-F999 WeakPolarHBondContact O-CD2 3.19Å; V995-F999 PolarHBondContact O-N 1.98Å
996A45.2Very low40.8Very low52 Ų52117 Ų11743%0.4361%0.607SS.*Hα-helixtrans-64.8-36.2174.700000112.8R992 Q993 A994 F999 H1000R992-A996 WeakPolarHBondContact O-CB 3.27Å; R992-A996 PolarHBondContact O-N 3.12Å; Q993-A996 PolarHBondContact O-N 3.49Å; A994-A996 PolarHBondContact O-N 3.38Å; A996-F999 PolarHBondContact O-N 3.33Å; A996-H1000 PolarHBondContact O-N 3.18Å
997A42.4Very low40.1Very low62 Ų62121.6 Ų121.651%0.51263%0.628SS.*Hα-helixtrans-70.2-33.4175.200000112.6Q993 A994 V995 K1001Q993-A997 WeakPolarHBondContact O-CB 3.49Å; Q993-A997 PolarHBondContact O-N 3.44Å; A994-A997 PolarHBondContact O-N 3.24Å; V995-A997 VanDerWaalsContact C-N 3.35Å; V995-A997 PolarHBondContact O-N 3.4Å; A997-K1001 PolarHBondContact O-N 3.08Å
998E45Very low39.3Very low137 Ų137120.5 Ų120.564%0.6464%0.636SS**Hα-helixtrans-70.6-42.4170.3-74-176.9135.600111.9A994 V995 H1000 K1001 C1002A994-E998 PolarHBondContact O-N 2.89Å; V995-E998 PolarHBondContact O-N 3.42Å; E998-H1000 VanDerWaalsContact C-N 3.32Å; E998-H1000 PolarHBondContact O-N 2.94Å; E998-K1001 WeakPolarHBondContact O-CA 3.37Å; E998-K1001 WeakPolarHBondContact O-CB 3.37Å; E998-K1001 PolarHBondContact O-N 3.36Å; E998-C1002 PolarHBondContact O-N 2.81Å
999F43.5Very low38.6Very low156 Ų156120.8 Ų120.868%0.68465%0.646SS**Hα-helixtrans-59.3-40.2174.2-98.6-88.7000112.4V995 A996 K1001 C1002V995-F999 HydrophobicContact CG1-CD2 3.77Å; V995-F999 HydrophobicContact CG1-CE2 3.96Å; V995-F999 WeakPolarHBondContact O-CB 3.03Å; V995-F999 WeakPolarHBondContact O-CD2 3.19Å; V995-F999 PolarHBondContact O-N 1.98Å; A996-F999 PolarHBondContact O-N 3.33Å; F999-K1001 PolarHBondContact O-N 3Å; F999-C1002 PolarHBondContact O-N 3.21Å
1000H41.7Very low37.8Very low160 Ų160122.1 Ų122.174%0.74166%0.656SS**THydrogen-bonded Turntrans-71.4-13.8173.9-102.3-50.8000114.5A996 E998A996-H1000 PolarHBondContact O-N 3.18Å; E998-H1000 VanDerWaalsContact C-N 3.32Å; E998-H1000 PolarHBondContact O-N 2.94Å
1001K38.2Very low37.2Very low185 Ų185123.8 Ų123.880%0.80468%0.675SS**THydrogen-bonded Turntrans-89.1-19.5173.9-114.1176177.8178.80113.6A997 E998 F999A997-K1001 PolarHBondContact O-N 3.08Å; E998-K1001 WeakPolarHBondContact O-CA 3.37Å; E998-K1001 WeakPolarHBondContact O-CB 3.37Å; E998-K1001 PolarHBondContact O-N 3.36Å; F999-K1001 PolarHBondContact O-N 3Å
1002C32.5Very low36.3Very low109 Ų109127.3 Ų127.374%0.73669%0.691SS**SBendtrans-971.6178.6-82.70000115.1E998 F999 K1004E998-C1002 PolarHBondContact O-N 2.81Å; F999-C1002 PolarHBondContact O-N 3.21Å; C1002-K1004 PolarHBondContact O-N 3.25Å
1003S30.1Very low35.6Very low89 Ų89127 Ų12762%0.62270%0.698SS**  trans-78.733.3179700000114.4
1004K28.7Very low34.7Very low191 Ų191128.4 Ų128.483%0.8370%0.704SS**SBendtrans-139.451.3177.8-80.4-166175.3-176.50112.9C1002C1002-K1004 PolarHBondContact O-N 3.25Å
1005Q31.8Very low33.8Very low179 Ų179132.5 Ų132.584%0.83672%0.717SS**SBendtrans-165.997.8152.5-107151.27.100112
1006T30Very low32.9Very low112 Ų112134.7 Ų134.769%0.68773%0.733SS**  trans33.6114.1139.247.80000122.3
1007E27.5Very low32.4Very low175 Ų175137.7 Ų137.782%0.81875%0.747SS**  97.8124121.3-71.1174.4-176.900123.7
1008C28.6Very low31.7Very low113 Ų113141.7 Ų141.776%0.76477%0.765SS**  trans93.1102.2143.6-70.30000124.4
1009S28.6Very low30.8Very low103 Ų103138.2 Ų138.272%0.7277%0.767SS**  76.9107.1128.456.50000124.5
1010D27.9Very low30Very low155 Ų155139.8 Ų139.883%0.82978%0.775SS**  50.7115.2126.4-61.7-20.9000124.1
1011S29.5Very low29.3Very low127 Ų127140.1 Ų140.189%0.88878%0.775SS**  168.516892.850.40000113.8
1012T25.3Very low28.8Very low125 Ų125138.7 Ų138.777%0.76777%0.771SS**  trans-116147.1-159.848.60000115.3
1013Q30Very low28.8Very low178 Ų178139.2 Ų139.283%0.83277%0.771SS**  157.4114.6126.5-84.3176.78.800117.5
1014Q24.9Very low28.8Very low164 Ų164141.1 Ų141.177%0.76678%0.781SS**  46.6123.4123.7-78-173.7-10.600127
1015I26.9Very low28.7Very low140 Ų140139.1 Ų139.172%0.71878%0.779SS**  trans81.1148.5134.5-57.4164.2000117.5
1016P31.5Very low28.5Very low117 Ų117135.7 Ų135.776%0.7678%0.775SS**  -133.5-150-52.547.8-25.1000111.5
1017P36.5Very low28.4Very low114 Ų114137.1 Ų137.174%0.7478%0.784SS**  trans-118.2175.3-162.443.9-35.8000118.6
1018V27.3Very low28.5Very low146 Ų146132.6 Ų132.689%0.88578%0.784SS**  trans166.4140.1135.4152.90000112.3
1019G25.3Very low28.4Very low65 Ų65134.9 Ų134.967%0.6778%0.783SS**  trans115.986.4143.900000122.2
1020H28Very low28.5Very low188 Ų188138.7 Ų138.787%0.8779%0.79SS**  trans26.2131.4143.4-71.2-70.8000125.4
1021K27Very low28.4Very low168 Ų168138 Ų13873%0.7378%0.781SS**  117.5124.4128-91.2170.3166.8-99.70120.6
1022E26.7Very low28.3Very low155 Ų155139.1 Ų139.172%0.72478%0.778SS**  trans82.6142.5143.1-75.2155.1-140.400122.5
1023V32Very low28.3Very low120 Ų120139.3 Ų139.373%0.72778%0.779SS**  trans-100.3163-161.6-150.80000110.7
1024P31.4Very low28Very low129 Ų129139.1 Ų139.184%0.83878%0.78SS**  -144.1158.8105.132.9-15.7000116.6
1025N27.1Very low27.9Very low149 Ų149140.7 Ų140.780%0.79778%0.784SS**  trans-72.8157.6-172.6-60.6-37.9000115.7
1026S27.3Very low27.8Very low107 Ų107143.7 Ų143.775%0.74879%0.792SS**  -162.2132.5123.146.20000115.4
1027T27.1Very low27.5Very low141 Ų141145.3 Ų145.387%0.86579%0.794SS**  trans57.3110.7146.954.80000121.9
1028G30.7Very low27Very low80 Ų80146.6 Ų146.683%0.82580%0.795SS**  trans17836.1166.100000115.2H1030G1028-H1030 PolarHBondContact O-N 3.29Å
1029Q26.3Very low26.9Very low161 Ų161148.8 Ų148.875%0.75280%0.795SS**  trans-71.9126.3-177.1-79.2169.9-74.100112.5E1031Q1029-E1031 PolarHBondContact NE2-OE1 3.05Å
1030H30.5Very low27Very low184 Ų184151.1 Ų151.185%0.85280%0.801SS**  trans-136.184.9155.5-122.5-64.2000108.7G1028 N1032G1028-H1030 PolarHBondContact O-N 3.29Å; H1030-N1032 PolarHBondContact O-N 3.41Å
1031E25Very low26.8Very low139 Ų139150.1 Ų150.165%0.6580%0.799SS**  trans-72.7119.5176.8-72.5166.5-161.700109.9Q1029Q1029-E1031 PolarHBondContact NE2-OE1 3.05Å
1032N27.7Very low26.7Very low152 Ų152148.3 Ų148.381%0.81380%0.803SS**  trans-118.286.3165.6-106.6-32.6000108.3H1030 M1034H1030-N1032 PolarHBondContact O-N 3.41Å; N1032-M1034 VanDerWaalsContact C-N 3.34Å; N1032-M1034 PolarHBondContact O-N 3.42Å
1033T24.5Very low26.9Very low129 Ų129149.4 Ų149.479%0.79181%0.807SS**  trans-65.685.5175.825.80000111K1035T1033-K1035 PolarHBondContact O-N 3.26Å
1034M23.9Very low27.2Very low173 Ų173149.6 Ų149.685%0.85280%0.804SS**  trans-66.8103.5165.7-79.3-166.6172.100110N1032 F1036N1032-M1034 VanDerWaalsContact C-N 3.34Å; N1032-M1034 PolarHBondContact O-N 3.42Å; M1034-F1036 PolarHBondContact O-N 3.29Å
1035K23.4Very low27.6Very low198 Ų198149.2 Ų149.286%0.86180%0.799SS**PPolyproline II helixtrans-47.1121.4164.3-65.5175.8176.1179.10109.8T1033T1033-K1035 PolarHBondContact O-N 3.26Å
1036F25.5Very low28.8Very low203 Ų203143.8 Ų143.889%0.8978%0.778SS**PPolyproline II helixtrans-86.9124.5162.3-91.7-88000108.9M1034 D1038M1034-F1036 PolarHBondContact O-N 3.29Å; F1036-D1038 PolarHBondContact O-N 3.16Å
1037D24.2Very low30.8Very low150 Ų150140.4 Ų140.480%0.80275%0.753SS**PPolyproline II helixtrans-63.4124-179.7-75.8-42.5000112H1039D1037-H1039 PolarHBondContact O-N 3.32Å
1038D25.8Very low33.4Very low141 Ų141138.6 Ų138.675%0.75473%0.734SS**SBendtrans-79.953.6-169.3-161.98.6000113.3F1036F1036-D1038 PolarHBondContact O-N 3.16Å
1039H25.1Very low36.2Very low192 Ų192135.4 Ų135.489%0.88970%0.697SS**  trans-133.127.5-171.3-83.2-4.2000114.5D1037D1037-H1039 PolarHBondContact O-N 3.32Å
1040S27.7Very low39.4Very low114 Ų114128.3 Ų128.380%0.79766%0.663SS**SBendtrans-130.10.7178.4-169.20000116
1041M24.2Very low42.2Very low167 Ų167121.9 Ų121.982%0.82364%0.635SS**SBendtrans-100.37.6-162.2-106-173.366.400117.7
1042T25.1Very low45.3Very low131 Ų131115.3 Ų115.380%0.80460%0.604SS**  trans-13258.9-177.1580000114.7
1043H29.9Very low48.3Very low178 Ų178108.8 Ų108.882%0.82457%0.57SS**SBendtrans-129.6111.3164.9-93.8-66000113.7
1044N38.7Very low51.2Low124 Ų124104.4 Ų104.466%0.66354%0.541SS*.  trans71.582.2163.9-61.39.6000117.2G1046 T1047N1044-G1046 PolarHBondContact O-N 3.25Å; N1044-T1047 PolarHBondContact O-N 2.8Å; N1044-T1047 VanDerWaalsContact O-N 3.17Å
1045V41Very low53.9Low120 Ų12098.7 Ų98.773%0.72752%0.515SS*.THydrogen-bonded Turntrans-35.3-24.6167.3-168.80000115.8F1049V1045-F1049 VanDerWaalsContact O-CE2 3.22Å; V1045-F1049 WeakPolarHBondContact O-CE2 3.29Å
1046G51Low56.5Low35 Ų3593 Ų9336%0.36149%0.494SS..THydrogen-bonded Turntrans-79.5-27.1-178.600000116.8N1044 F1048 Y1050N1044-G1046 PolarHBondContact O-N 3.25Å; G1046-F1048 PolarHBondContact O-N 3.19Å; G1046-Y1050 WeakPolarHBondContact O-CE2 3.46Å
1047T68.8Low58.5Low37 Ų3790.3 Ų90.323%0.22749%0.488CS..G310 helixtrans-72-30.5-171.6-61.60000112.7K960 N1044 F1049 Y1050K960-T1047 PolarHBondContact NZ-OG1 3.48Å; N1044-T1047 PolarHBondContact O-N 2.8Å; N1044-T1047 VanDerWaalsContact O-N 3.17Å; T1047-F1049 PolarHBondContact O-N 2.73Å; T1047-F1049 VanDerWaalsContact O-N 3.11Å; T1047-Y1050 PolarHBondContact O-N 3.43Å
1048F83.1Confident59.9Low103 Ų10387 Ų8745%0.45247%0.47SS..G310 helixtrans-53.5-33.7-179.4177.5-98.1000113.6G1046 Y1050 I1051 L1056 R1101G1046-F1048 PolarHBondContact O-N 3.19Å; F1048-Y1050 VanDerWaalsContact C-N 3.26Å; F1048-Y1050 PolarHBondContact O-N 2.98Å; F1048-I1051 PolarHBondContact O-N 2.86Å; F1048-L1056 HydrophobicContact CD2-CD1 4.31Å; F1048-L1056 HydrophobicContact CD2-CD2 4.15Å; F1048-L1056 HydrophobicContact CE2-CD1 3.53Å; F1048-L1056 HydrophobicContact CE2-CD2 3.8Å; F1048-L1056 HydrophobicContact CE2-CG 4.34Å; F1048-L1056 HydrophobicContact CZ-CD1 3.79Å; F1048-R1101 VanDerWaalsContact O-CZ 3.3Å; F1048-R1101 PolarHBondContact O-NH1 2.92Å; F1048-R1101 PolarHBondContact O-NH2 3.27Å
1049F88.9Confident60.6Low12 Ų1287 Ų875%0.05347%0.47CS..G310 helixtrans-69.9-15.6-173.9-59.8-64.8000115V1045 T1047 I1077 V1094 L1097 R1101V1045-F1049 VanDerWaalsContact O-CE2 3.22Å; V1045-F1049 WeakPolarHBondContact O-CE2 3.29Å; T1047-F1049 PolarHBondContact O-N 2.73Å; T1047-F1049 VanDerWaalsContact O-N 3.11Å; F1049-I1077 WeakPolarHBondContact O-CG1 3.34Å; F1049-V1094 HydrophobicContact CE1-CG1 4.45Å; F1049-V1094 HydrophobicContact CE2-CG2 3.89Å; F1049-V1094 HydrophobicContact CZ-CB 4.06Å; F1049-V1094 HydrophobicContact CZ-CG1 3.93Å; F1049-V1094 HydrophobicContact CZ-CG2 3.71Å; F1049-L1097 HydrophobicContact CB-CB 4.14Å; F1049-L1097 HydrophobicContact CB-CD1 3.86Å; F1049-L1097 HydrophobicContact CD1-CB 3.82Å; F1049-L1097 HydrophobicContact CD2-CD1 4.41Å; F1049-L1097 HydrophobicContact CG-CB 4.01Å; F1049-L1097 HydrophobicContact CG-CD1 4.07Å; F1049-R1101 PolarHBondContact O-NH1 3.27Å
1050Y92.9Very high61.3Low12 Ų1283.2 Ų83.25%0.04747%0.465CS..THydrogen-bonded Turntrans-93.8-29.2176.3-52.9-77.6000112.7R920 K960 P961 G1046 T1047 F1048 S1052 S1074 I1077 I1078 E1081 R1093R920-Y1050 PolarHBondContact NH2-OH 3.33Å; K960-Y1050 HydrophobicContact CB-CD1 4.2Å; K960-Y1050 HydrophobicContact CB-CD2 3.56Å; K960-Y1050 HydrophobicContact CB-CE1 4.25Å; K960-Y1050 HydrophobicContact CB-CE2 3.61Å; K960-Y1050 HydrophobicContact CB-CG 3.88Å; P961-Y1050 WeakPolarHBondContact CD-OH 3.34Å; P961-Y1050 HydrophobicContact CG-CE1 4.47Å; G1046-Y1050 WeakPolarHBondContact O-CE2 3.46Å; T1047-Y1050 PolarHBondContact O-N 3.43Å; F1048-Y1050 VanDerWaalsContact C-N 3.26Å; F1048-Y1050 PolarHBondContact O-N 2.98Å; Y1050-S1052 PolarHBondContact O-N 2.84Å; Y1050-S1074 PolarHBondContact O-OG 3.3Å; Y1050-I1077 HydrophobicContact CD1-CB 4.02Å; Y1050-I1077 HydrophobicContact CD1-CG2 3.74Å; Y1050-I1077 HydrophobicContact CE1-CB 4.31Å; Y1050-I1077 HydrophobicContact CE1-CG2 3.62Å; Y1050-I1078 HydrophobicContact CD1-CG1 4.23Å; Y1050-I1078 HydrophobicContact CE1-CG1 4.15Å; Y1050-E1081 WeakPolarHBondContact CE1-OE2 3.5Å; Y1050-E1081 PolarHBondContact OH-OE2 3.1Å; Y1050-R1093 PolarHBondContact OH-NH2 3.22Å
1051I89.9Confident61.7Low50 Ų5086.7 Ų86.726%0.25647%0.469SS..SBendtrans-60.6125.4-174.4-57177.7000110.1F1048 V1055 L1056 R1101F1048-I1051 PolarHBondContact O-N 2.86Å; I1051-V1055 HydrophobicContact CG2-CB 3.7Å; I1051-V1055 HydrophobicContact CG2-CG1 3.59Å; I1051-L1056 HydrophobicContact CB-CD2 4.43Å; I1051-L1056 HydrophobicContact CG2-CD2 3.85Å; I1051-L1056 HydrophobicContact CG2-CG 3.9Å; I1051-R1101 VanDerWaalsContact O-CZ 3.26Å; I1051-R1101 PolarHBondContact O-NH1 3.03Å; I1051-R1101 PolarHBondContact O-NH2 2.81Å
1052S90.7Very high62.3Low1 Ų187.6 Ų87.61%0.00747%0.468CS..  trans-69.4153.4-177.962.60000113Y1050 E1054 V1055 L1056Y1050-S1052 PolarHBondContact O-N 2.84Å; S1052-E1054 VanDerWaalsContact C-N 3.31Å; S1052-E1054 WeakPolarHBondContact CB-OE1 3.24Å; S1052-E1054 WeakPolarHBondContact CB-OE2 3.37Å; S1052-E1054 PolarHBondContact O-N 3.27Å; S1052-E1054 PolarHBondContact OG-OE1 3.2Å; S1052-E1054 PolarHBondContact OG-OE2 3.09Å; S1052-V1055 PolarHBondContact O-N 3.26Å; S1052-V1055 WeakPolarHBondContact OG-CG2 3.44Å; S1052-L1056 PolarHBondContact O-N 3.42Å
1053P89.4Confident63Low15 Ų1588.5 Ų88.510%0.09747%0.468CS..Hα-helixtrans-56.4-40.8-174.3-26.635.6000113.8V1055 L1056 L1057 Y1073 H1129P1053-V1055 PolarHBondContact O-N 3.04Å; P1053-L1056 PolarHBondContact O-N 3.37Å; P1053-L1057 WeakPolarHBondContact O-CG 3.13Å; P1053-L1057 PolarHBondContact O-N 3.44Å; P1053-L1057 VanDerWaalsContact O-N 3.12Å; P1053-Y1073 HydrophobicContact CG-CE2 3.93Å; P1053-H1129 HydrophobicContact CG-CB 4.45Å
1054E85.7Confident63.9Low36 Ų3690 Ų9017%0.16847%0.466CS..Hα-helixtrans-66.9-19179.369.4-76.6178.300114S1052 L1058 V1070 P1131 R1134S1052-E1054 VanDerWaalsContact C-N 3.31Å; S1052-E1054 WeakPolarHBondContact CB-OE1 3.24Å; S1052-E1054 WeakPolarHBondContact CB-OE2 3.37Å; S1052-E1054 PolarHBondContact O-N 3.27Å; S1052-E1054 PolarHBondContact OG-OE1 3.2Å; S1052-E1054 PolarHBondContact OG-OE2 3.09Å; E1054-L1058 WeakPolarHBondContact O-CG 3.41Å; E1054-V1070 WeakPolarHBondContact OE1-CG1 3.35Å; E1054-P1131 HydrophobicContact CB-CG 4.35Å; E1054-P1131 HydrophobicContact CG-CG 3.85Å; E1054-R1134 IonicContact OE1-CZ 3.9Å; E1054-R1134 IonicContact OE1-NH1 3.71Å; E1054-R1134 PolarHBondContact OE1-NH1 2.88Å; E1054-R1134 IonicContact OE1-NH2 2.64Å; E1054-R1134 PolarHBondContact OE1-NH2 3.1Å; E1054-R1134 IonicContact OE2-CZ 3.4Å; E1054-R1134 IonicContact OE2-NH1 3.51Å; E1054-R1134 IonicContact OE2-NH2 2.68Å; E1054-R1134 PolarHBondContact OE2-NH2 3.21Å
1055V81.4Confident64.7Low53 Ų5389.7 Ų89.732%0.32146%0.464SS..Hα-helixtrans-82.5-26.6172.3176.20000111.4I1051 S1052 P1053 V1070I1051-V1055 HydrophobicContact CG2-CB 3.7Å; I1051-V1055 HydrophobicContact CG2-CG1 3.59Å; S1052-V1055 PolarHBondContact O-N 3.26Å; S1052-V1055 WeakPolarHBondContact OG-CG2 3.44Å; P1053-V1055 PolarHBondContact O-N 3.04Å; V1055-V1070 HydrophobicContact CG2-CB 4.34Å; V1055-V1070 HydrophobicContact CG2-CG1 3.77Å
1056L77.4Confident66.1Low79 Ų7987.5 Ų87.541%0.41444%0.443SS..Hα-helixtrans-83.7-25.3177.9-65.8177.3000113.7F1048 I1051 S1052 P1053 L1058 R1101F1048-L1056 HydrophobicContact CD2-CD1 4.31Å; F1048-L1056 HydrophobicContact CD2-CD2 4.15Å; F1048-L1056 HydrophobicContact CE2-CD1 3.53Å; F1048-L1056 HydrophobicContact CE2-CD2 3.8Å; F1048-L1056 HydrophobicContact CE2-CG 4.34Å; F1048-L1056 HydrophobicContact CZ-CD1 3.79Å; I1051-L1056 HydrophobicContact CB-CD2 4.43Å; I1051-L1056 HydrophobicContact CG2-CD2 3.85Å; I1051-L1056 HydrophobicContact CG2-CG 3.9Å; S1052-L1056 PolarHBondContact O-N 3.42Å; P1053-L1056 PolarHBondContact O-N 3.37Å; L1056-L1058 PolarHBondContact O-N 3.28Å; L1056-R1101 VanDerWaalsContact CD1-NH2 3.26Å
1057L67.9Low67.7Low147 Ų14788.5 Ų88.577%0.7744%0.44SS*.SBendtrans-82.68.6-179.2-69.8165.5000114P1053 D1059P1053-L1057 WeakPolarHBondContact O-CG 3.13Å; P1053-L1057 PolarHBondContact O-N 3.44Å; P1053-L1057 VanDerWaalsContact O-N 3.12Å; L1057-D1059 PolarHBondContact O-N 2.75Å
1058L53.5Low68.7Low81 Ų8189 Ų8942%0.42444%0.44SS..  trans-90.790.5-173.7-80.7168000113E1054 L1056 Y1066E1054-L1058 WeakPolarHBondContact O-CG 3.41Å; L1056-L1058 PolarHBondContact O-N 3.28Å; L1058-Y1066 HydrophobicContact CD1-CD1 3.94Å; L1058-Y1066 HydrophobicContact CD1-CE1 4.24Å
1059D40.4Very low69.2Low141 Ų14186.2 Ų86.275%0.75443%0.426SS*.  trans-66.1139.5169.2-158.8-1.8000111.7L1057 Q1061 K1062L1057-D1059 PolarHBondContact O-N 2.75Å; D1059-Q1061 PolarHBondContact O-N 2.92Å; D1059-K1062 PolarHBondContact O-N 3.47Å
1060S40.5Very low69.4Low112 Ų11285.8 Ų85.878%0.78343%0.425SS*.THydrogen-bonded Turntrans-71.43.9-148.958.90000117.2
1061Q35Very low69.5Low187 Ų18785.2 Ų85.287%0.87442%0.423SS*.THydrogen-bonded Turntrans-1152.1-176.7-66.5-148.7-7.200116.4D1059D1059-Q1061 PolarHBondContact O-N 2.92Å
1062K37.2Very low69.8Low185 Ų18582.9 Ų82.980%0.80441%0.41SS*.  trans-112.596.7174.3-79.6-179.9-178.2169.20113.8D1059 R1064D1059-K1062 PolarHBondContact O-N 3.47Å; K1062-R1064 PolarHBondContact O-N 2.99Å; K1062-R1064 VanDerWaalsContact O-N 3.08Å
1063N39.6Very low70Confident151 Ų15182.8 Ų82.881%0.80741%0.41SS*.  trans-58.6101.2163.6-149.80.5000110.2
1064R50.1Low70.4Confident208 Ų20882.3 Ų82.379%0.78541%0.407SS*.  trans179.6130148.8-96.6148.6-157.4-141.45.3115.9K1062K1062-R1064 PolarHBondContact O-N 2.99Å; K1062-R1064 VanDerWaalsContact O-N 3.08Å
1065I54.6Low70.9Confident119 Ų11980.6 Ų80.661%0.6140%0.399SS*.  trans53.791.9140-44.3157.9000117.8V984V984-I1065 HydrophobicContact CB-CG1 4.44Å; V984-I1065 HydrophobicContact CG1-CG1 4.17Å; V984-I1065 HydrophobicContact CG2-CB 4.49Å; V984-I1065 HydrophobicContact CG2-CG1 4.01Å; V984-I1065 HydrophobicContact CG2-CG2 4.47Å
1066Y69.7Low71.6Confident73 Ų7378 Ų7829%0.28638%0.383SS..  trans-104.5158.5141.144.5-97000108.5I955 R957 T981 L1058 V1070I955-Y1066 HydrophobicContact CD1-CD2 4.33Å; R957-Y1066 PolarHBondContact NH1-OH 2.69Å; T981-Y1066 HydrophobicContact CG2-CE2 4.23Å; L1058-Y1066 HydrophobicContact CD1-CD1 3.94Å; L1058-Y1066 HydrophobicContact CD1-CE1 4.24Å; Y1066-V1070 HydrophobicContact CD2-CG1 4.46Å; Y1066-V1070 HydrophobicContact CG-CG1 4.4Å
1067D84.6Confident72.6Confident57 Ų5774.3 Ų74.331%0.30536%0.364SS..  trans-115.4-167.5-17563.215.8000111.9I955 R1069I955-D1067 WeakPolarHBondContact CD1-O 3.3Å; D1067-R1069 PolarHBondContact O-N 3.14Å; D1067-R1069 WeakPolarHBondContact OD1-CB 3.49Å; D1067-R1069 VanDerWaalsContact OD1-CG 3.29Å; D1067-R1069 WeakPolarHBondContact OD1-CG 2.78Å; D1067-R1069 PolarHBondContact OD1-N 3.12Å
1068E89.9Confident74Confident46 Ų4667.3 Ų67.322%0.21533%0.327CS..THydrogen-bonded Turntrans-67.5-12.4-179.277.1-70160.800114.4H950 I955 V1070 D1071H950-E1068 HydrophobicContact CB-CB 4.28Å; H950-E1068 HydrophobicContact CB-CG 4.2Å; H950-E1068 PolarHBondContact CE1-O 3.33Å; H950-E1068 VanDerWaalsContact CE1-O 3.31Å; I955-E1068 HydrophobicContact CG1-CB 4.33Å; E1068-V1070 PolarHBondContact O-N 2.99Å; E1068-D1071 PolarHBondContact O-N 3.02Å
1069R93.4Very high76Confident45 Ų4563.4 Ų63.417%0.1731%0.307CS..Hα-helixtrans-73.4-9.6-176.4-49.8-52-175.289.4-8.7113.5D1067 D1071 I1072 Y1073 P1131 R1134 P1135D1067-R1069 PolarHBondContact O-N 3.14Å; D1067-R1069 WeakPolarHBondContact OD1-CB 3.49Å; D1067-R1069 VanDerWaalsContact OD1-CG 3.29Å; D1067-R1069 WeakPolarHBondContact OD1-CG 2.78Å; D1067-R1069 PolarHBondContact OD1-N 3.12Å; R1069-D1071 VanDerWaalsContact C-N 3.3Å; R1069-I1072 PolarHBondContact O-N 2.84Å; R1069-Y1073 PolarHBondContact O-N 2.79Å; R1069-P1131 HydrophobicContact CB-CB 4.14Å; R1069-R1134 PolarHBondContact NH1-O 3.05Å; R1069-R1134 WeakPolarHBondContact O-CD 3.3Å; R1069-R1134 PolarHBondContact O-NH1 3.4Å; R1069-P1135 PolarHBondContact NH1-O 2.83Å
1070V93.1Very high78.7Confident4 Ų456.7 Ų56.72%0.02427%0.271CS..Hα-helixtrans-63.1-36.3169.1-54.10000111.7I955 R957 E1054 V1055 Y1066 E1068 S1074I955-V1070 HydrophobicContact CG2-CG2 3.32Å; R957-V1070 HydrophobicContact CG-CG2 4.06Å; E1054-V1070 WeakPolarHBondContact OE1-CG1 3.35Å; V1055-V1070 HydrophobicContact CG2-CB 4.34Å; V1055-V1070 HydrophobicContact CG2-CG1 3.77Å; Y1066-V1070 HydrophobicContact CD2-CG1 4.46Å; Y1066-V1070 HydrophobicContact CG-CG1 4.4Å; E1068-V1070 PolarHBondContact O-N 2.99Å; V1070-S1074 PolarHBondContact O-N 3.45Å; V1070-S1074 PolarHBondContact O-OG 2.93Å
1071D94.7Very high81.3Confident0 Ų051.4 Ų51.40%023%0.234CC..Hα-helixtrans-74.1-32.4178.5-61.6-28.9000110.8L946 H950 I955 H956 R957 E1068 R1069 S1074 L1075L946-D1071 HydrophobicContact CD1-CB 4.14Å; L946-D1071 HydrophobicContact CD2-CB 3.97Å; L946-D1071 HydrophobicContact CG-CB 4.4Å; H950-D1071 IonicContact CD2-OD2 2.65Å; H950-D1071 IonicContact CE1-OD2 3.31Å; H950-D1071 IonicContact NE2-OD2 2.67Å; H950-D1071 PolarHBondContact NE2-OD2 2.74Å; I955-D1071 WeakPolarHBondContact CG2-OD2 3.35Å; H956-D1071 PolarHBondContact N-OD1 3Å; H956-D1071 PolarHBondContact N-OD2 2.77Å; R957-D1071 PolarHBondContact N-OD1 2.75Å; E1068-D1071 PolarHBondContact O-N 3.02Å; R1069-D1071 VanDerWaalsContact C-N 3.3Å; D1071-S1074 WeakPolarHBondContact O-CB 3.47Å; D1071-S1074 PolarHBondContact O-N 3Å; D1071-L1075 WeakPolarHBondContact O-CB 3.32Å; D1071-L1075 PolarHBondContact O-N 3.09Å
1072I96.6Very high84.2Confident0 Ų042.5 Ų42.50%019%0.192CC..Hα-helixtrans-65.8-37.9176.5-55.6-64000111.4L946 R1069 S1074 L1075 G1076 M1126 R1134 P1135 A1137 L1140L946-I1072 HydrophobicContact CD2-CD1 3.95Å; R1069-I1072 PolarHBondContact O-N 2.84Å; I1072-S1074 VanDerWaalsContact C-N 3.35Å; I1072-L1075 WeakPolarHBondContact O-CB 3.4Å; I1072-L1075 PolarHBondContact O-N 3.03Å; I1072-G1076 PolarHBondContact O-N 2.78Å; I1072-M1126 HydrophobicContact CG2-CB 4.14Å; I1072-M1126 HydrophobicContact CG2-CG 3.69Å; I1072-M1126 HydrophobicContact CG2-SD 4.2Å; I1072-R1134 HydrophobicContact CG2-CB 4.24Å; I1072-P1135 HydrophobicContact CG2-CG 4.24Å; I1072-A1137 HydrophobicContact CD1-CB 3.98Å; I1072-L1140 HydrophobicContact CD1-CD1 4.19Å; I1072-L1140 HydrophobicContact CG2-CD1 4.32Å
1073Y96.4Very high87Confident0 Ų034.5 Ų34.50%016%0.157CC..Hα-helixtrans-62.6-44.3172.2-171.4-83.1000111.3P1053 R1069 L1075 G1076 I1077 L1127P1053-Y1073 HydrophobicContact CG-CE2 3.93Å; R1069-Y1073 PolarHBondContact O-N 2.79Å; Y1073-L1075 VanDerWaalsContact C-N 3.32Å; Y1073-L1075 PolarHBondContact O-N 3.34Å; Y1073-G1076 PolarHBondContact O-N 3.45Å; Y1073-G1076 VanDerWaalsContact O-N 3.11Å; Y1073-I1077 HydrophobicContact CD1-CG1 4.48Å; Y1073-I1077 HydrophobicContact CE1-CD1 4.39Å; Y1073-I1077 HydrophobicContact CE1-CG1 4.21Å; Y1073-I1077 PolarHBondContact O-N 2.99Å; Y1073-L1127 HydrophobicContact CD1-CD2 4.1Å; Y1073-L1127 HydrophobicContact CD2-CD2 4Å; Y1073-L1127 HydrophobicContact CE1-CD2 3.95Å; Y1073-L1127 HydrophobicContact CE2-CB 4.14Å; Y1073-L1127 HydrophobicContact CE2-CD2 3.87Å; Y1073-L1127 WeakPolarHBondContact CE2-O 3.48Å; Y1073-L1127 HydrophobicContact CG-CD2 4.12Å; Y1073-L1127 WeakPolarHBondContact O-CD2 3.36Å
1074S96.1Very high89.5Confident4 Ų427.8 Ų27.83%0.02812%0.121CC..Hα-helixtrans-59.6-43.8176-54.80000111.2L959 Y1050 V1070 D1071 I1072 G1076 I1077 I1078L959-S1074 WeakPolarHBondContact O-CB 3.31Å; Y1050-S1074 PolarHBondContact O-OG 3.3Å; V1070-S1074 PolarHBondContact O-N 3.45Å; V1070-S1074 PolarHBondContact O-OG 2.93Å; D1071-S1074 WeakPolarHBondContact O-CB 3.47Å; D1071-S1074 PolarHBondContact O-N 3Å; I1072-S1074 VanDerWaalsContact C-N 3.35Å; S1074-G1076 VanDerWaalsContact C-N 3.29Å; S1074-G1076 PolarHBondContact O-N 3.36Å; S1074-I1077 PolarHBondContact O-N 3.39Å; S1074-I1078 WeakPolarHBondContact O-CD1 3.07Å; S1074-I1078 VanDerWaalsContact O-CG1 3.27Å; S1074-I1078 WeakPolarHBondContact O-CG1 3.45Å; S1074-I1078 PolarHBondContact O-N 3.49Å
1075L96.8Very high91.4Very high0 Ų022.3 Ų22.30%010%0.1CC..Hα-helixtrans-60.3-34.7174.6-176.663.4000112.6F939 L942 T943 L946 L959 D1071 I1072 Y1073 I1078 L1079 M1126 L1140F939-L1075 HydrophobicContact CD2-CD1 4.04Å; F939-L1075 HydrophobicContact CE2-CD1 3.58Å; F939-L1075 HydrophobicContact CE2-CD2 4.14Å; F939-L1075 HydrophobicContact CE2-CG 3.7Å; F939-L1075 HydrophobicContact CZ-CD1 4.45Å; F939-L1075 HydrophobicContact CZ-CD2 4.23Å; F939-L1075 HydrophobicContact CZ-CG 4.25Å; L942-L1075 HydrophobicContact CD2-CD1 3.44Å; L942-L1075 VanDerWaalsContact CD2-CD1 3.44Å; L942-L1075 HydrophobicContact CG-CD1 3.84Å; T943-L1075 HydrophobicContact CG2-CD2 4.29Å; L946-L1075 HydrophobicContact CD2-CD2 4.09Å; L959-L1075 HydrophobicContact CD2-CB 4.29Å; D1071-L1075 WeakPolarHBondContact O-CB 3.32Å; D1071-L1075 PolarHBondContact O-N 3.09Å; I1072-L1075 WeakPolarHBondContact O-CB 3.4Å; I1072-L1075 PolarHBondContact O-N 3.03Å; Y1073-L1075 VanDerWaalsContact C-N 3.32Å; Y1073-L1075 PolarHBondContact O-N 3.34Å; L1075-I1078 PolarHBondContact O-N 2.91Å; L1075-L1079 WeakPolarHBondContact O-CB 3.42Å; L1075-L1079 PolarHBondContact O-N 3.36Å; L1075-M1126 HydrophobicContact CB-SD 4.14Å; L1075-M1126 HydrophobicContact CD2-SD 3.99Å; L1075-M1126 HydrophobicContact CG-SD 3.85Å; L1075-L1140 HydrophobicContact CD2-CD1 3.83Å
1076G97.1Very high92.8Very high0 Ų018 Ų180%08%0.083CC..Hα-helixtrans-64.3-41173.600000113.8I1072 Y1073 S1074 F1080I1072-G1076 PolarHBondContact O-N 2.78Å; Y1073-G1076 PolarHBondContact O-N 3.45Å; Y1073-G1076 VanDerWaalsContact O-N 3.11Å; S1074-G1076 VanDerWaalsContact C-N 3.29Å; S1074-G1076 PolarHBondContact O-N 3.36Å; G1076-F1080 PolarHBondContact O-N 3.14Å
1077I97.1Very high93.7Very high0 Ų015.8 Ų15.80%08%0.075CC..Hα-helixtrans-65.9-42.6172.9-59.1-66.4000110.1F1049 Y1050 Y1073 S1074 F1080 E1081 L1097 R1101 L1127F1049-I1077 WeakPolarHBondContact O-CG1 3.34Å; Y1050-I1077 HydrophobicContact CD1-CB 4.02Å; Y1050-I1077 HydrophobicContact CD1-CG2 3.74Å; Y1050-I1077 HydrophobicContact CE1-CB 4.31Å; Y1050-I1077 HydrophobicContact CE1-CG2 3.62Å; Y1073-I1077 HydrophobicContact CD1-CG1 4.48Å; Y1073-I1077 HydrophobicContact CE1-CD1 4.39Å; Y1073-I1077 HydrophobicContact CE1-CG1 4.21Å; Y1073-I1077 PolarHBondContact O-N 2.99Å; S1074-I1077 PolarHBondContact O-N 3.39Å; I1077-F1080 PolarHBondContact O-N 2.97Å; I1077-E1081 WeakPolarHBondContact O-CG 3.36Å; I1077-E1081 PolarHBondContact O-N 3.47Å; I1077-E1081 VanDerWaalsContact O-N 3.14Å; I1077-L1097 HydrophobicContact CG2-CD2 4.04Å; I1077-R1101 HydrophobicContact CD1-CG 4.13Å; I1077-L1127 HydrophobicContact CD1-CD1 3.95Å; I1077-L1127 HydrophobicContact CD1-CD2 3.59Å; I1077-L1127 HydrophobicContact CD1-CG 4.45Å; I1077-L1127 HydrophobicContact CG1-CD2 3.74Å
1078I96.7Very high93.6Very high0 Ų018.3 Ų18.30%010%0.095CC..Hα-helixtrans-61.1-46.1178.2-66.4160.7000111.1L919 L942 L959 P961 I964 Y1050 S1074 L1075 F1080 E1081 M1082L919-I1078 HydrophobicContact CD2-CG2 3.94Å; L942-I1078 HydrophobicContact CD2-CG2 3.97Å; L959-I1078 HydrophobicContact CD2-CD1 3.92Å; L959-I1078 HydrophobicContact CG-CD1 3.87Å; P961-I1078 HydrophobicContact CG-CG1 3.96Å; P961-I1078 HydrophobicContact CG-CG2 4.31Å; I964-I1078 HydrophobicContact CD1-CD1 3.87Å; I964-I1078 HydrophobicContact CD1-CG2 4.4Å; Y1050-I1078 HydrophobicContact CD1-CG1 4.23Å; Y1050-I1078 HydrophobicContact CE1-CG1 4.15Å; S1074-I1078 WeakPolarHBondContact O-CD1 3.07Å; S1074-I1078 VanDerWaalsContact O-CG1 3.27Å; S1074-I1078 WeakPolarHBondContact O-CG1 3.45Å; S1074-I1078 PolarHBondContact O-N 3.49Å; L1075-I1078 PolarHBondContact O-N 2.91Å; I1078-F1080 VanDerWaalsContact C-N 3.32Å; I1078-F1080 PolarHBondContact O-N 3.37Å; I1078-E1081 PolarHBondContact O-N 3.31Å; I1078-E1081 VanDerWaalsContact O-N 3.12Å; I1078-M1082 HydrophobicContact CG2-CG 4.27Å; I1078-M1082 HydrophobicContact CG2-SD 3.72Å; I1078-M1082 VanDerWaalsContact O-CG 3.3Å; I1078-M1082 WeakPolarHBondContact O-CG 3.46Å; I1078-M1082 PolarHBondContact O-N 2.89Å
1079L96.8Very high93.5Very high0 Ų019.5 Ų19.50%011%0.105CC..Hα-helixtrans-61.1-39.3178.6179.762000112.3F939 L1075 M1082 F1083 L1122 I1123 M1126F939-L1079 HydrophobicContact CB-CD1 4.47Å; F939-L1079 HydrophobicContact CD1-CD1 4.47Å; F939-L1079 HydrophobicContact CD2-CB 4.07Å; F939-L1079 HydrophobicContact CD2-CD1 3.65Å; F939-L1079 HydrophobicContact CD2-CG 4.28Å; F939-L1079 HydrophobicContact CE2-CB 3.79Å; F939-L1079 HydrophobicContact CE2-CD1 3.95Å; F939-L1079 HydrophobicContact CE2-CD2 3.98Å; F939-L1079 HydrophobicContact CE2-CG 4.11Å; F939-L1079 HydrophobicContact CG-CD1 3.93Å; F939-L1079 HydrophobicContact CZ-CD1 4.49Å; F939-L1079 HydrophobicContact CZ-CD2 4.03Å; L1075-L1079 WeakPolarHBondContact O-CB 3.42Å; L1075-L1079 PolarHBondContact O-N 3.36Å; L1079-M1082 PolarHBondContact O-N 3.17Å; L1079-F1083 HydrophobicContact CD1-CD2 3.62Å; L1079-F1083 HydrophobicContact CD1-CE2 3.54Å; L1079-F1083 HydrophobicContact CG-CD2 4.48Å; L1079-F1083 PolarHBondContact O-N 3.09Å; L1079-L1122 HydrophobicContact CD2-CB 3.8Å; L1079-L1122 HydrophobicContact CD2-CD1 4.39Å; L1079-I1123 HydrophobicContact CB-CG1 4.29Å; L1079-I1123 HydrophobicContact CD2-CG1 3.98Å; L1079-I1123 HydrophobicContact CG-CD1 4.42Å; L1079-I1123 HydrophobicContact CG-CG1 4.05Å; L1079-M1126 HydrophobicContact CB-CE 4.04Å; L1079-M1126 HydrophobicContact CD2-CE 3.43Å; L1079-M1126 VanDerWaalsContact CD2-CE 3.43Å; L1079-M1126 HydrophobicContact CG-CE 4.37Å
1080F96.9Very high93Very high0 Ų021 Ų210%013%0.127CC..Hα-helixtrans-58.6-49.4172.3171.1-97.2000111.2G1076 I1077 I1078 M1082 F1083 Y1084 I1096 L1097 L1100 F1107 P1108 W1111 I1123G1076-F1080 PolarHBondContact O-N 3.14Å; I1077-F1080 PolarHBondContact O-N 2.97Å; I1078-F1080 VanDerWaalsContact C-N 3.32Å; I1078-F1080 PolarHBondContact O-N 3.37Å; F1080-M1082 VanDerWaalsContact C-N 3.28Å; F1080-M1082 PolarHBondContact O-N 3.45Å; F1080-F1083 PolarHBondContact O-N 2.94Å; F1080-Y1084 AromaticContact CE1-CD1 3.96Å; F1080-Y1084 HydrophobicContact CE1-CD1 3.96Å; F1080-Y1084 HydrophobicContact CE1-CG 4.01Å; F1080-Y1084 HydrophobicContact CE2-CD2 4.15Å; F1080-Y1084 HydrophobicContact CE2-CG 4.04Å; F1080-Y1084 AromaticContact CZ-CD1 3.71Å; F1080-Y1084 HydrophobicContact CZ-CD1 3.71Å; F1080-Y1084 AromaticContact CZ-CD2 3.85Å; F1080-Y1084 HydrophobicContact CZ-CD2 3.85Å; F1080-Y1084 HydrophobicContact CZ-CE1 4.24Å; F1080-Y1084 HydrophobicContact CZ-CE2 4.36Å; F1080-Y1084 AromaticContact CZ-CG 3.46Å; F1080-Y1084 HydrophobicContact CZ-CG 3.46Å; F1080-Y1084 VanDerWaalsContact CZ-CG 3.46Å; F1080-Y1084 VanDerWaalsContact O-CB 3.31Å; F1080-Y1084 WeakPolarHBondContact O-CB 3.22Å; F1080-Y1084 PolarHBondContact O-N 3.13Å; F1080-I1096 HydrophobicContact CE1-CG2 3.69Å; F1080-I1096 HydrophobicContact CZ-CG2 3.66Å; F1080-L1097 HydrophobicContact CD1-CD2 4.03Å; F1080-L1097 HydrophobicContact CE1-CD2 4.23Å; F1080-L1100 HydrophobicContact CB-CD1 4.36Å; F1080-L1100 HydrophobicContact CD1-CD1 3.4Å; F1080-L1100 HydrophobicContact CD2-CD1 3.76Å; F1080-L1100 HydrophobicContact CE1-CD1 3.53Å; F1080-L1100 HydrophobicContact CE2-CD1 3.86Å; F1080-L1100 HydrophobicContact CG-CD1 3.53Å; F1080-L1100 HydrophobicContact CZ-CD1 3.76Å; F1080-F1107 HydrophobicContact CD2-CD1 4.4Å; F1080-F1107 HydrophobicContact CD2-CE1 4.48Å; F1080-F1107 HydrophobicContact CE2-CD1 4.44Å; F1080-P1108 HydrophobicContact CE2-CG 4.23Å; F1080-P1108 HydrophobicContact CZ-CG 3.99Å; F1080-W1111 HydrophobicContact CD2-CD2 4.39Å; F1080-W1111 AromaticContact CD2-CE3 3.82Å; F1080-W1111 HydrophobicContact CD2-CE3 3.82Å; F1080-W1111 HydrophobicContact CD2-CH2 4.18Å; F1080-W1111 AromaticContact CD2-CZ3 3.7Å; F1080-W1111 HydrophobicContact CD2-CZ3 3.7Å; F1080-W1111 HydrophobicContact CE2-CD2 4.09Å; F1080-W1111 AromaticContact CE2-CE3 3.48Å; F1080-W1111 HydrophobicContact CE2-CE3 3.48Å; F1080-W1111 VanDerWaalsContact CE2-CE3 3.48Å; F1080-W1111 AromaticContact CE2-CZ3 3.81Å; F1080-W1111 HydrophobicContact CE2-CZ3 3.81Å; F1080-I1123 HydrophobicContact CB-CD1 3.9Å; F1080-I1123 HydrophobicContact CB-CG1 4.4Å; F1080-I1123 HydrophobicContact CB-CG2 4.5Å; F1080-I1123 HydrophobicContact CD2-CD1 4.39Å
1081E95.3Very high92.8Very high1 Ų127 Ų271%0.00516%0.157CC..Hα-helixtrans-64.3-28-180-67.2-16464.900114.4R920 I923 Y1050 I1077 I1078 F1083 M1087 R1093R920-E1081 IonicContact CZ-OE1 3.54Å; R920-E1081 IonicContact NH1-OE1 2.76Å; R920-E1081 PolarHBondContact NH1-OE1 3.04Å; R920-E1081 VanDerWaalsContact NH2-CD 3.29Å; R920-E1081 IonicContact NH2-OE1 3.83Å; R920-E1081 PolarHBondContact NH2-OE1 2.84Å; R920-E1081 IonicContact NH2-OE2 3.6Å; R920-E1081 PolarHBondContact NH2-OE2 3.13Å; I923-E1081 HydrophobicContact CD1-CB 4.02Å; I923-E1081 WeakPolarHBondContact CG2-O 3.25Å; Y1050-E1081 WeakPolarHBondContact CE1-OE2 3.5Å; Y1050-E1081 PolarHBondContact OH-OE2 3.1Å; I1077-E1081 WeakPolarHBondContact O-CG 3.36Å; I1077-E1081 PolarHBondContact O-N 3.47Å; I1077-E1081 VanDerWaalsContact O-N 3.14Å; I1078-E1081 PolarHBondContact O-N 3.31Å; I1078-E1081 VanDerWaalsContact O-N 3.12Å; E1081-F1083 VanDerWaalsContact C-N 3.34Å; E1081-M1087 HydrophobicContact CG-CE 4.47Å; E1081-R1093 IonicContact OE1-CZ 2.76Å; E1081-R1093 IonicContact OE1-NH1 3.47Å; E1081-R1093 PolarHBondContact OE1-NH1 3.28Å; E1081-R1093 IonicContact OE1-NH2 2.74Å; E1081-R1093 PolarHBondContact OE1-NH2 3.23Å; E1081-R1093 IonicContact OE2-CZ 2.71Å; E1081-R1093 IonicContact OE2-NH2 3.6Å; E1081-R1093 PolarHBondContact OE2-NH2 3.02Å
1082M95.7Very high92.6Very high0 Ų029.1 Ų29.10%017%0.167CC..Hα-helixtrans-74.5-24.5178.8-69170.671.600113.2L919 I923 L928 S929 A935 L938 F939 I1078 L1079 F1080L919-M1082 HydrophobicContact CD1-CE 4.34Å; L919-M1082 HydrophobicContact CD1-CG 4.49Å; L919-M1082 HydrophobicContact CD2-CG 4.32Å; L919-M1082 HydrophobicContact CD2-SD 4Å; I923-M1082 HydrophobicContact CD1-CG 4.02Å; I923-M1082 HydrophobicContact CG1-CG 4.39Å; L928-M1082 HydrophobicContact CD2-CB 4.15Å; L928-M1082 HydrophobicContact CD2-CE 4.12Å; L928-M1082 HydrophobicContact CD2-CG 4.06Å; S929-M1082 PolarHBondContact N-O 3.18Å; A935-M1082 WeakPolarHBondContact O-CE 3.36Å; L938-M1082 HydrophobicContact CB-CE 3.72Å; F939-M1082 HydrophobicContact CB-CE 4.07Å; I1078-M1082 HydrophobicContact CG2-CG 4.27Å; I1078-M1082 HydrophobicContact CG2-SD 3.72Å; I1078-M1082 VanDerWaalsContact O-CG 3.3Å; I1078-M1082 WeakPolarHBondContact O-CG 3.46Å; I1078-M1082 PolarHBondContact O-N 2.89Å; L1079-M1082 PolarHBondContact O-N 3.17Å; F1080-M1082 VanDerWaalsContact C-N 3.28Å; F1080-M1082 PolarHBondContact O-N 3.45Å
1083F95Very high92.3Very high16 Ų1630.8 Ų30.87%0.0717%0.173CC..Hα-helixtrans-109-14.2-179.1-79-84.7000114.1S929 P932 A935 W936 L1079 F1080 E1081 W1111 Q1119S929-F1083 VanDerWaalsContact CB-O 3.32Å; S929-F1083 WeakPolarHBondContact CB-O 3.08Å; P932-F1083 HydrophobicContact CB-CE1 4.13Å; A935-F1083 HydrophobicContact CB-CD2 4.44Å; A935-F1083 HydrophobicContact CB-CE1 4.05Å; A935-F1083 HydrophobicContact CB-CE2 3.84Å; A935-F1083 HydrophobicContact CB-CZ 3.62Å; W936-F1083 AromaticContact CD1-CZ 3.71Å; W936-F1083 HydrophobicContact CD2-CE2 4.26Å; W936-F1083 AromaticContact CD2-CZ 3.75Å; W936-F1083 HydrophobicContact CD2-CZ 3.75Å; W936-F1083 AromaticContact CE2-CZ 3.61Å; W936-F1083 HydrophobicContact CE3-CZ 4.46Å; W936-F1083 AromaticContact CG-CZ 3.86Å; W936-F1083 HydrophobicContact CG-CZ 3.86Å; W936-F1083 HydrophobicContact CZ2-CZ 4.25Å; W936-F1083 AromaticContact NE1-CE1 3.91Å; W936-F1083 AromaticContact NE1-CZ 3.54Å; L1079-F1083 HydrophobicContact CD1-CD2 3.62Å; L1079-F1083 HydrophobicContact CD1-CE2 3.54Å; L1079-F1083 HydrophobicContact CG-CD2 4.48Å; L1079-F1083 PolarHBondContact O-N 3.09Å; F1080-F1083 PolarHBondContact O-N 2.94Å; E1081-F1083 VanDerWaalsContact C-N 3.34Å; F1083-W1111 HydrophobicContact CB-CH2 3.87Å; F1083-W1111 HydrophobicContact CB-CZ3 4.06Å; F1083-Q1119 HydrophobicContact CD1-CG 4.06Å; F1083-Q1119 HydrophobicContact CD2-CG 3.93Å; F1083-Q1119 HydrophobicContact CE1-CG 4.22Å; F1083-Q1119 HydrophobicContact CE2-CG 4.1Å; F1083-Q1119 HydrophobicContact CG-CG 3.92Å; F1083-Q1119 HydrophobicContact CZ-CG 4.24Å
1084Y93.8Very high92Very high11 Ų1132.8 Ų32.84%0.04319%0.185CC..SBendtrans-87.6148.7172.2-168.3-115.3000111.1F1080 M1087 I1096 P1108 D1110 W1111F1080-Y1084 AromaticContact CE1-CD1 3.96Å; F1080-Y1084 HydrophobicContact CE1-CD1 3.96Å; F1080-Y1084 HydrophobicContact CE1-CG 4.01Å; F1080-Y1084 HydrophobicContact CE2-CD2 4.15Å; F1080-Y1084 HydrophobicContact CE2-CG 4.04Å; F1080-Y1084 AromaticContact CZ-CD1 3.71Å; F1080-Y1084 HydrophobicContact CZ-CD1 3.71Å; F1080-Y1084 AromaticContact CZ-CD2 3.85Å; F1080-Y1084 HydrophobicContact CZ-CD2 3.85Å; F1080-Y1084 HydrophobicContact CZ-CE1 4.24Å; F1080-Y1084 HydrophobicContact CZ-CE2 4.36Å; F1080-Y1084 AromaticContact CZ-CG 3.46Å; F1080-Y1084 HydrophobicContact CZ-CG 3.46Å; F1080-Y1084 VanDerWaalsContact CZ-CG 3.46Å; F1080-Y1084 VanDerWaalsContact O-CB 3.31Å; F1080-Y1084 WeakPolarHBondContact O-CB 3.22Å; F1080-Y1084 PolarHBondContact O-N 3.13Å; Y1084-M1087 HydrophobicContact CD1-CE 4.34Å; Y1084-M1087 HydrophobicContact CD1-CG 3.99Å; Y1084-M1087 HydrophobicContact CD1-SD 4.08Å; Y1084-M1087 HydrophobicContact CE1-CG 3.73Å; Y1084-M1087 HydrophobicContact CE1-SD 3.98Å; Y1084-I1096 HydrophobicContact CE1-CD1 3.68Å; Y1084-I1096 WeakPolarHBondContact OH-CD1 3.47Å; Y1084-P1108 HydrophobicContact CD2-CG 4.43Å; Y1084-P1108 HydrophobicContact CE2-CG 3.73Å; Y1084-D1110 PolarHBondContact OH-OD1 3.47Å; Y1084-D1110 PolarHBondContact OH-OD2 2.85Å; Y1084-D1110 VanDerWaalsContact OH-OD2 3.08Å; Y1084-W1111 AromaticContact CD2-CE3 3.99Å; Y1084-W1111 HydrophobicContact CD2-CE3 3.99Å
1085R89.4Confident91.8Very high93 Ų9337.4 Ų37.435%0.35121%0.208SC..PPolyproline II helixtrans-55.5150.1176.760.7176.4176.877.23.7111.5M1087 E1092 D1110R1085-M1087 PolarHBondContact O-N 3.29Å; R1085-E1092 IonicContact CZ-OE1 3.47Å; R1085-E1092 VanDerWaalsContact CZ-OE1 3.23Å; R1085-E1092 IonicContact NH1-OE1 3.67Å; R1085-E1092 PolarHBondContact NH1-OE1 3.28Å; R1085-E1092 IonicContact NH2-OE1 2.76Å; R1085-E1092 PolarHBondContact NH2-OE1 3.49Å; R1085-D1110 IonicContact CZ-OD2 3.71Å; R1085-D1110 VanDerWaalsContact CZ-OD2 3.3Å; R1085-D1110 IonicContact NE-OD2 3.03Å; R1085-D1110 PolarHBondContact NE-OD2 3.45Å; R1085-D1110 IonicContact NH2-OD2 2.68Å; R1085-D1110 PolarHBondContact NH2-OD2 2.84Å
1086A84.5Confident91.7Very high29 Ų2938.4 Ų38.424%0.2421%0.214CC..PPolyproline II helixtrans-51132.7170.500000110.9N927 P1088N927-A1086 PolarHBondContact OD1-N 3.24Å; N927-A1086 VanDerWaalsContact OD1-N 3.1Å; A1086-P1088 VanDerWaalsContact O-CD 3.23Å; A1086-P1088 WeakPolarHBondContact O-CD 3.36Å
1087M88.7Confident91.5Very high26 Ų2638.4 Ų38.413%0.12821%0.214CC..  trans-95.5101-178.3-72.6170.7-80.200108.9E1081 Y1084 R1085 T1089 R1093 I1096E1081-M1087 HydrophobicContact CG-CE 4.47Å; Y1084-M1087 HydrophobicContact CD1-CE 4.34Å; Y1084-M1087 HydrophobicContact CD1-CG 3.99Å; Y1084-M1087 HydrophobicContact CD1-SD 4.08Å; Y1084-M1087 HydrophobicContact CE1-CG 3.73Å; Y1084-M1087 HydrophobicContact CE1-SD 3.98Å; R1085-M1087 PolarHBondContact O-N 3.29Å; M1087-T1089 PolarHBondContact O-N 2.85Å; M1087-T1089 VanDerWaalsContact O-N 3.1Å; M1087-R1093 HydrophobicContact CB-CB 4.21Å; M1087-R1093 HydrophobicContact CE-CG 4.23Å; M1087-R1093 HydrophobicContact SD-CB 4.02Å; M1087-R1093 HydrophobicContact SD-CG 4.29Å; M1087-I1096 HydrophobicContact CG-CD1 4.48Å; M1087-I1096 HydrophobicContact SD-CB 4.41Å; M1087-I1096 HydrophobicContact SD-CD1 4.05Å
1088P82.6Confident91.3Very high110 Ų11041.1 Ų41.171%0.71423%0.231SC*.SBendtrans-65.5-15.9-169.825.9-37.3000114.6A1086 E1092A1086-P1088 VanDerWaalsContact O-CD 3.23Å; A1086-P1088 WeakPolarHBondContact O-CD 3.36Å; P1088-E1092 VanDerWaalsContact CD-OE2 3.29Å; P1088-E1092 WeakPolarHBondContact CD-OE2 3.47Å
1089T87Confident91.1Very high71 Ų7144.2 Ų44.244%0.43625%0.245SC..SBendtrans-122.5140.9175.775.10000112.3M1087 M1091 E1092 R1093M1087-T1089 PolarHBondContact O-N 2.85Å; M1087-T1089 VanDerWaalsContact O-N 3.1Å; T1089-M1091 PolarHBondContact O-N 3.02Å; T1089-E1092 PolarHBondContact O-N 3.44Å; T1089-E1092 WeakPolarHBondContact OG1-CB 3.43Å; T1089-E1092 PolarHBondContact OG1-N 3.18Å; T1089-E1092 VanDerWaalsContact OG1-N 3.11Å; T1089-R1093 PolarHBondContact O-N 2.89Å
1090A83.8Confident91Very high77 Ų7744.2 Ų44.264%0.63625%0.245SC*.Hα-helixtrans-60.7-26.1173.400000112.6R1093 V1094A1090-R1093 WeakPolarHBondContact O-CB 3.28Å; A1090-V1094 WeakPolarHBondContact O-CG2 3.21Å; A1090-V1094 PolarHBondContact O-N 3.45Å
1091M87.2Confident90.9Very high130 Ų13045.4 Ų45.464%0.6425%0.249SC*.Hα-helixtrans-75.8-44.4179.4-164.465.1167.400112.5T1089 R1093 V1094 L1095T1089-M1091 PolarHBondContact O-N 3.02Å; M1091-R1093 VanDerWaalsContact C-N 3.26Å; M1091-R1093 PolarHBondContact O-N 3.08Å; M1091-V1094 PolarHBondContact O-N 2.97Å; M1091-L1095 HydrophobicContact CG-CD1 4.45Å; M1091-L1095 WeakPolarHBondContact O-CG 3.16Å; M1091-L1095 PolarHBondContact O-N 3.3Å
1092E90.3Very high90.7Very high44 Ų4449.7 Ų49.721%0.20627%0.268CS..Hα-helixtrans-55.5-45.5171.6178-178.9-172.700110.7R1085 P1088 T1089 L1095 I1096R1085-E1092 IonicContact CZ-OE1 3.47Å; R1085-E1092 VanDerWaalsContact CZ-OE1 3.23Å; R1085-E1092 IonicContact NH1-OE1 3.67Å; R1085-E1092 PolarHBondContact NH1-OE1 3.28Å; R1085-E1092 IonicContact NH2-OE1 2.76Å; R1085-E1092 PolarHBondContact NH2-OE1 3.49Å; P1088-E1092 VanDerWaalsContact CD-OE2 3.29Å; P1088-E1092 WeakPolarHBondContact CD-OE2 3.47Å; T1089-E1092 PolarHBondContact O-N 3.44Å; T1089-E1092 WeakPolarHBondContact OG1-CB 3.43Å; T1089-E1092 PolarHBondContact OG1-N 3.18Å; T1089-E1092 VanDerWaalsContact OG1-N 3.11Å; E1092-L1095 PolarHBondContact O-N 3.09Å; E1092-I1096 HydrophobicContact CG-CD1 3.78Å; E1092-I1096 WeakPolarHBondContact O-CG1 3.28Å; E1092-I1096 PolarHBondContact O-N 3.15Å
1093R91.8Very high90.4Very high35 Ų3557.4 Ų57.413%0.13230%0.304CS..Hα-helixtrans-57.7-47.6174178.7-175.4-177.471.127.4113.3R920 Y1050 E1081 M1087 T1089 A1090 M1091 L1095 L1097R920-R1093 VanDerWaalsContact NH2-NH2 3.1Å; Y1050-R1093 PolarHBondContact OH-NH2 3.22Å; E1081-R1093 IonicContact OE1-CZ 2.76Å; E1081-R1093 IonicContact OE1-NH1 3.47Å; E1081-R1093 PolarHBondContact OE1-NH1 3.28Å; E1081-R1093 IonicContact OE1-NH2 2.74Å; E1081-R1093 PolarHBondContact OE1-NH2 3.23Å; E1081-R1093 IonicContact OE2-CZ 2.71Å; E1081-R1093 IonicContact OE2-NH2 3.6Å; E1081-R1093 PolarHBondContact OE2-NH2 3.02Å; M1087-R1093 HydrophobicContact CB-CB 4.21Å; M1087-R1093 HydrophobicContact CE-CG 4.23Å; M1087-R1093 HydrophobicContact SD-CB 4.02Å; M1087-R1093 HydrophobicContact SD-CG 4.29Å; T1089-R1093 PolarHBondContact O-N 2.89Å; A1090-R1093 WeakPolarHBondContact O-CB 3.28Å; M1091-R1093 VanDerWaalsContact C-N 3.26Å; M1091-R1093 PolarHBondContact O-N 3.08Å; R1093-L1095 VanDerWaalsContact C-N 3.35Å; R1093-L1097 HydrophobicContact CG-CD1 4.05Å; R1093-L1097 WeakPolarHBondContact O-CB 3.49Å; R1093-L1097 VanDerWaalsContact O-CG 3.3Å; R1093-L1097 WeakPolarHBondContact O-CG 3.37Å; R1093-L1097 PolarHBondContact O-N 2.77Å; R1093-L1097 VanDerWaalsContact O-N 3.08Å
1094V88.9Confident90.2Very high41 Ų4165 Ų6525%0.24834%0.337CS..Hα-helixtrans-59.9-45.5176.5164.70000110.7F1049 A1090 M1091 T1098F1049-V1094 HydrophobicContact CE1-CG1 4.45Å; F1049-V1094 HydrophobicContact CE2-CG2 3.89Å; F1049-V1094 HydrophobicContact CZ-CB 4.06Å; F1049-V1094 HydrophobicContact CZ-CG1 3.93Å; F1049-V1094 HydrophobicContact CZ-CG2 3.71Å; A1090-V1094 WeakPolarHBondContact O-CG2 3.21Å; A1090-V1094 PolarHBondContact O-N 3.45Å; M1091-V1094 PolarHBondContact O-N 2.97Å; V1094-T1098 VanDerWaalsContact O-CB 3.26Å; V1094-T1098 WeakPolarHBondContact O-CB 3.29Å; V1094-T1098 PolarHBondContact O-N 2.87Å; V1094-T1098 PolarHBondContact O-OG1 3Å
1095L91.7Very high90.1Very high101 Ų10165.6 Ų65.653%0.52934%0.341SS..Hα-helixtrans-64.1-53.1-179.3-69.4168.2000111.7M1091 E1092 R1093 L1097 T1098 E1099M1091-L1095 HydrophobicContact CG-CD1 4.45Å; M1091-L1095 WeakPolarHBondContact O-CG 3.16Å; M1091-L1095 PolarHBondContact O-N 3.3Å; E1092-L1095 PolarHBondContact O-N 3.09Å; R1093-L1095 VanDerWaalsContact C-N 3.35Å; L1095-L1097 PolarHBondContact O-N 3Å; L1095-T1098 PolarHBondContact O-N 3.01Å; L1095-T1098 VanDerWaalsContact O-N 3.17Å; L1095-E1099 PolarHBondContact O-N 3.34Å
1096I94.4Very high90.3Very high21 Ų2164.8 Ų64.811%0.10834%0.342CS..Hα-helixtrans-61-46.3-177.7-67.9174000111.3F1080 Y1084 M1087 E1092 T1098 E1099 L1100 P1108F1080-I1096 HydrophobicContact CE1-CG2 3.69Å; F1080-I1096 HydrophobicContact CZ-CG2 3.66Å; Y1084-I1096 HydrophobicContact CE1-CD1 3.68Å; Y1084-I1096 WeakPolarHBondContact OH-CD1 3.47Å; M1087-I1096 HydrophobicContact CG-CD1 4.48Å; M1087-I1096 HydrophobicContact SD-CB 4.41Å; M1087-I1096 HydrophobicContact SD-CD1 4.05Å; E1092-I1096 HydrophobicContact CG-CD1 3.78Å; E1092-I1096 WeakPolarHBondContact O-CG1 3.28Å; E1092-I1096 PolarHBondContact O-N 3.15Å; I1096-T1098 VanDerWaalsContact C-N 3.3Å; I1096-T1098 PolarHBondContact O-N 3.3Å; I1096-E1099 PolarHBondContact O-N 2.89Å; I1096-L1100 HydrophobicContact CG2-CD1 4.16Å; I1096-L1100 PolarHBondContact O-N 2.89Å; I1096-P1108 HydrophobicContact CD1-CB 4.39Å; I1096-P1108 HydrophobicContact CG1-CB 4.36Å; I1096-P1108 HydrophobicContact CG2-CB 4.47Å; I1096-P1108 HydrophobicContact CG2-CG 4.08Å
1097L94.6Very high90.8Very high0 Ų064.2 Ų64.20%034%0.335CS..Hα-helixtrans-70.2-26.4179.3-62.4-176.9000112.5F1049 I1077 F1080 R1093 L1095 L1100 R1101F1049-L1097 HydrophobicContact CB-CB 4.14Å; F1049-L1097 HydrophobicContact CB-CD1 3.86Å; F1049-L1097 HydrophobicContact CD1-CB 3.82Å; F1049-L1097 HydrophobicContact CD2-CD1 4.41Å; F1049-L1097 HydrophobicContact CG-CB 4.01Å; F1049-L1097 HydrophobicContact CG-CD1 4.07Å; I1077-L1097 HydrophobicContact CG2-CD2 4.04Å; F1080-L1097 HydrophobicContact CD1-CD2 4.03Å; F1080-L1097 HydrophobicContact CE1-CD2 4.23Å; R1093-L1097 HydrophobicContact CG-CD1 4.05Å; R1093-L1097 WeakPolarHBondContact O-CB 3.49Å; R1093-L1097 VanDerWaalsContact O-CG 3.3Å; R1093-L1097 WeakPolarHBondContact O-CG 3.37Å; R1093-L1097 PolarHBondContact O-N 2.77Å; R1093-L1097 VanDerWaalsContact O-N 3.08Å; L1095-L1097 PolarHBondContact O-N 3Å; L1097-L1100 HydrophobicContact CD2-CD1 4.16Å; L1097-R1101 WeakPolarHBondContact O-CB 3.17Å; L1097-R1101 WeakPolarHBondContact O-CD 3.06Å; L1097-R1101 WeakPolarHBondContact O-CG 3.28Å; L1097-R1101 PolarHBondContact O-N 3.44Å
1098T92Very high91Very high58 Ų5864.2 Ų64.236%0.35634%0.337SS..Hα-helixtrans-71.9-38.9173.4-58.60000111.8V1094 L1095 I1096 R1101V1094-T1098 VanDerWaalsContact O-CB 3.26Å; V1094-T1098 WeakPolarHBondContact O-CB 3.29Å; V1094-T1098 PolarHBondContact O-N 2.87Å; V1094-T1098 PolarHBondContact O-OG1 3Å; L1095-T1098 PolarHBondContact O-N 3.01Å; L1095-T1098 VanDerWaalsContact O-N 3.17Å; I1096-T1098 VanDerWaalsContact C-N 3.3Å; I1096-T1098 PolarHBondContact O-N 3.3Å; T1098-R1101 PolarHBondContact O-N 2.82Å
1099E93.5Very high91.4Very high64 Ų6469.6 Ų69.630%0.29935%0.349SS..Hα-helixtrans-67.6-40.1175.2-68.1-57.3128.700112.6L1095 I1096 R1101 K1102 I1106L1095-E1099 PolarHBondContact O-N 3.34Å; I1096-E1099 PolarHBondContact O-N 2.89Å; E1099-R1101 PolarHBondContact O-N 3.11Å; E1099-K1102 PolarHBondContact O-N 3.09Å; E1099-K1102 VanDerWaalsContact OE1-CE 3.28Å; E1099-K1102 WeakPolarHBondContact OE1-CE 3.42Å; E1099-K1102 IonicContact OE1-NZ 3.67Å; E1099-K1102 PolarHBondContact OE1-NZ 2.86Å; E1099-K1102 WeakPolarHBondContact OE2-CE 3.34Å; E1099-K1102 IonicContact OE2-NZ 3.83Å; E1099-K1102 PolarHBondContact OE2-NZ 2.95Å; E1099-I1106 CarbonylContact C-O 3.48Å; E1099-I1106 HydrophobicContact CB-CB 4.29Å; E1099-I1106 HydrophobicContact CB-CG2 4.47Å; E1099-I1106 PolarHBondContact O-N 2.8Å
1100L94.6Very high91.7Very high0 Ų070.3 Ų70.30%035%0.35CS..Hα-helixtrans-63.5-28.8173.8-82.3166.1000113.4F1080 I1096 L1097 K1102 I1105 I1106 F1107F1080-L1100 HydrophobicContact CB-CD1 4.36Å; F1080-L1100 HydrophobicContact CD1-CD1 3.4Å; F1080-L1100 HydrophobicContact CD2-CD1 3.76Å; F1080-L1100 HydrophobicContact CE1-CD1 3.53Å; F1080-L1100 HydrophobicContact CE2-CD1 3.86Å; F1080-L1100 HydrophobicContact CG-CD1 3.53Å; F1080-L1100 HydrophobicContact CZ-CD1 3.76Å; I1096-L1100 HydrophobicContact CG2-CD1 4.16Å; I1096-L1100 PolarHBondContact O-N 2.89Å; L1097-L1100 HydrophobicContact CD2-CD1 4.16Å; L1100-K1102 VanDerWaalsContact C-N 3.35Å; L1100-I1105 HydrophobicContact CD2-CG2 3.87Å; L1100-I1106 PolarHBondContact N-O 2.93Å; L1100-F1107 HydrophobicContact CD2-CD1 3.88Å; L1100-F1107 HydrophobicContact CD2-CE1 4.01Å; L1100-F1107 HydrophobicContact CD2-CG 4.22Å; L1100-F1107 HydrophobicContact CD2-CZ 4.45Å
1101R94.3Very high92.2Very high25 Ų2567.2 Ų67.29%0.09432%0.322CS..THydrogen-bonded Turntrans-80.7-8-179-74.8167.767.773.88.3114.2F1048 F1049 I1051 L1056 I1077 L1097 T1098 E1099 H1129F1048-R1101 VanDerWaalsContact O-CZ 3.3Å; F1048-R1101 PolarHBondContact O-NH1 2.92Å; F1048-R1101 PolarHBondContact O-NH2 3.27Å; F1049-R1101 PolarHBondContact O-NH1 3.27Å; I1051-R1101 VanDerWaalsContact O-CZ 3.26Å; I1051-R1101 PolarHBondContact O-NH1 3.03Å; I1051-R1101 PolarHBondContact O-NH2 2.81Å; L1056-R1101 VanDerWaalsContact CD1-NH2 3.26Å; I1077-R1101 HydrophobicContact CD1-CG 4.13Å; L1097-R1101 WeakPolarHBondContact O-CB 3.17Å; L1097-R1101 WeakPolarHBondContact O-CD 3.06Å; L1097-R1101 WeakPolarHBondContact O-CG 3.28Å; L1097-R1101 PolarHBondContact O-N 3.44Å; T1098-R1101 PolarHBondContact O-N 2.82Å; E1099-R1101 PolarHBondContact O-N 3.11Å; R1101-H1129 PolarHBondContact O-CE1 3Å; R1101-H1129 PolarHBondContact O-NE2 2.87Å
1102K91.9Very high92.3Very high91 Ų9163.1 Ų63.140%0.39631%0.306SS..SBendtrans-66149.6175.9-69.4179.4-178.8171.10111.4E1099 L1100 K1104 I1105 I1106E1099-K1102 PolarHBondContact O-N 3.09Å; E1099-K1102 VanDerWaalsContact OE1-CE 3.28Å; E1099-K1102 WeakPolarHBondContact OE1-CE 3.42Å; E1099-K1102 IonicContact OE1-NZ 3.67Å; E1099-K1102 PolarHBondContact OE1-NZ 2.86Å; E1099-K1102 WeakPolarHBondContact OE2-CE 3.34Å; E1099-K1102 IonicContact OE2-NZ 3.83Å; E1099-K1102 PolarHBondContact OE2-NZ 2.95Å; L1100-K1102 VanDerWaalsContact C-N 3.35Å; K1102-K1104 VanDerWaalsContact C-N 3.26Å; K1102-K1104 WeakPolarHBondContact CB-O 3.19Å; K1102-K1104 CarbonylContact O-C 3.59Å; K1102-K1104 PolarHBondContact O-N 3.42Å; K1102-I1105 PolarHBondContact O-N 2.82Å; K1102-I1106 HydrophobicContact CD-CD1 4.4Å
1103E87.9Confident92.4Very high162 Ų16264.7 Ų64.776%0.75731%0.313SS*.SBendtrans-56.2-42.1179.5-173.8-177.4-159.800111.7I1105 H1129E1103-I1105 PolarHBondContact O-N 3.27Å; E1103-H1129 HydrophobicContact CG-CB 4.45Å; E1103-H1129 PolarHBondContact N-NE2 3.33Å
1104K90.6Very high92Very high176 Ų17670.3 Ų70.377%0.76535%0.346SS*.SBendtrans-85.197.1159.9-171.7177.3-176.5179.30108.5K1102 I1106K1102-K1104 VanDerWaalsContact C-N 3.26Å; K1102-K1104 WeakPolarHBondContact CB-O 3.19Å; K1102-K1104 CarbonylContact O-C 3.59Å; K1102-K1104 PolarHBondContact O-N 3.42Å; K1104-I1106 PolarHBondContact O-N 2.81Å
1105I92.4Very high91.9Very high23 Ų2376 Ų7612%0.11837%0.37CS..  trans-61120.3-177.4-58.8161.2000110.6L1100 K1102 E1103 F1107 R1124 L1127L1100-I1105 HydrophobicContact CD2-CG2 3.87Å; K1102-I1105 PolarHBondContact O-N 2.82Å; E1103-I1105 PolarHBondContact O-N 3.27Å; I1105-F1107 HydrophobicContact CG2-CD2 4.39Å; I1105-F1107 HydrophobicContact CG2-CE2 3.96Å; I1105-F1107 HydrophobicContact CG2-CZ 4.39Å; I1105-R1124 HydrophobicContact CD1-CG 4.4Å; I1105-L1127 HydrophobicContact CD1-CB 3.74Å; I1105-L1127 HydrophobicContact CG1-CB 4.34Å
1106I93.1Very high91.9Very high76 Ų7673 Ų7339%0.3935%0.354SS..  trans-109.4122.3177.1-63172.1000109.2E1099 L1100 K1102 K1104E1099-I1106 CarbonylContact C-O 3.48Å; E1099-I1106 HydrophobicContact CB-CB 4.29Å; E1099-I1106 HydrophobicContact CB-CG2 4.47Å; E1099-I1106 PolarHBondContact O-N 2.8Å; L1100-I1106 PolarHBondContact N-O 2.93Å; K1102-I1106 HydrophobicContact CD-CD1 4.4Å; K1104-I1106 PolarHBondContact O-N 2.81Å
1107F95.4Very high91.8Very high18 Ų1875.9 Ų75.98%0.07937%0.373CS..  trans-86.7150.9170.7-69.5-93.9000110.2F1080 L1100 I1105 W1111 T1120 I1123 R1124F1080-F1107 HydrophobicContact CD2-CD1 4.4Å; F1080-F1107 HydrophobicContact CD2-CE1 4.48Å; F1080-F1107 HydrophobicContact CE2-CD1 4.44Å; L1100-F1107 HydrophobicContact CD2-CD1 3.88Å; L1100-F1107 HydrophobicContact CD2-CE1 4.01Å; L1100-F1107 HydrophobicContact CD2-CG 4.22Å; L1100-F1107 HydrophobicContact CD2-CZ 4.45Å; I1105-F1107 HydrophobicContact CG2-CD2 4.39Å; I1105-F1107 HydrophobicContact CG2-CE2 3.96Å; I1105-F1107 HydrophobicContact CG2-CZ 4.39Å; F1107-W1111 HydrophobicContact CB-CB 4.15Å; F1107-W1111 HydrophobicContact CB-CG 4.17Å; F1107-W1111 AromaticContact CD1-CD1 3.49Å; F1107-W1111 VanDerWaalsContact CD1-CD1 3.49Å; F1107-W1111 AromaticContact CD1-CD2 3.97Å; F1107-W1111 HydrophobicContact CD1-CD2 3.97Å; F1107-W1111 AromaticContact CD1-CE2 3.87Å; F1107-W1111 AromaticContact CD1-CG 3.75Å; F1107-W1111 HydrophobicContact CD1-CG 3.75Å; F1107-W1111 AromaticContact CD1-NE1 3.56Å; F1107-W1111 HydrophobicContact CE1-CD2 4.46Å; F1107-W1111 AromaticContact CE1-CE2 3.94Å; F1107-W1111 HydrophobicContact CE1-CZ2 4.34Å; F1107-W1111 AromaticContact CE1-NE1 3.75Å; F1107-W1111 AromaticContact CG-CD1 3.85Å; F1107-W1111 HydrophobicContact CG-CG 4.29Å; F1107-T1120 HydrophobicContact CE2-CG2 4.06Å; F1107-T1120 HydrophobicContact CZ-CG2 3.97Å; F1107-I1123 HydrophobicContact CE1-CB 4.31Å; F1107-I1123 HydrophobicContact CE1-CD1 4.25Å; F1107-I1123 HydrophobicContact CE1-CG2 3.88Å; F1107-I1123 HydrophobicContact CZ-CB 4.17Å; F1107-I1123 HydrophobicContact CZ-CG2 3.82Å; F1107-R1124 HydrophobicContact CE2-CG 3.84Å; F1107-R1124 HydrophobicContact CZ-CG 4.11Å
1108P94Very high91.7Very high26 Ų2679 Ų7917%0.16939%0.389CS..  trans-66158.3174.330.1-35.1000111.5F1080 Y1084 I1096 D1110 W1111F1080-P1108 HydrophobicContact CE2-CG 4.23Å; F1080-P1108 HydrophobicContact CZ-CG 3.99Å; Y1084-P1108 HydrophobicContact CD2-CG 4.43Å; Y1084-P1108 HydrophobicContact CE2-CG 3.73Å; I1096-P1108 HydrophobicContact CD1-CB 4.39Å; I1096-P1108 HydrophobicContact CG1-CB 4.36Å; I1096-P1108 HydrophobicContact CG2-CB 4.47Å; I1096-P1108 HydrophobicContact CG2-CG 4.08Å; P1108-D1110 VanDerWaalsContact C-N 3.25Å; P1108-D1110 PolarHBondContact O-N 3.24Å; P1108-W1111 HydrophobicContact CG-CB 4.09Å; P1108-W1111 WeakPolarHBondContact O-CB 3.45Å; P1108-W1111 PolarHBondContact O-N 2.92Å; P1108-W1111 VanDerWaalsContact O-N 3.07Å
1109K89.9Confident91.8Very high223 Ų22377.1 Ų77.197%0.9738%0.376SS*.THydrogen-bonded Turntrans-65.6-24.9-170.9-68-175.7179.6179.70114.2
1110D92.7Very high91.9Very high86 Ų8674.3 Ų74.346%0.4636%0.363SS..THydrogen-bonded Turntrans-905.817755.2-25.4000113.4Y1084 R1085 P1108 S1112Y1084-D1110 PolarHBondContact OH-OD1 3.47Å; Y1084-D1110 PolarHBondContact OH-OD2 2.85Å; Y1084-D1110 VanDerWaalsContact OH-OD2 3.08Å; R1085-D1110 IonicContact CZ-OD2 3.71Å; R1085-D1110 VanDerWaalsContact CZ-OD2 3.3Å; R1085-D1110 IonicContact NE-OD2 3.03Å; R1085-D1110 PolarHBondContact NE-OD2 3.45Å; R1085-D1110 IonicContact NH2-OD2 2.68Å; R1085-D1110 PolarHBondContact NH2-OD2 2.84Å; P1108-D1110 VanDerWaalsContact C-N 3.25Å; P1108-D1110 PolarHBondContact O-N 3.24Å; D1110-S1112 PolarHBondContact O-N 2.94Å
1111W94.6Very high91.9Very high12 Ų1279.2 Ų79.25%0.04538%0.382CS..  trans-84.9105.1170.1179.8-87.8000111.5F1080 F1083 Y1084 F1107 P1108 Q1113 L1116 Q1119 T1120 I1123F1080-W1111 HydrophobicContact CD2-CD2 4.39Å; F1080-W1111 AromaticContact CD2-CE3 3.82Å; F1080-W1111 HydrophobicContact CD2-CE3 3.82Å; F1080-W1111 HydrophobicContact CD2-CH2 4.18Å; F1080-W1111 AromaticContact CD2-CZ3 3.7Å; F1080-W1111 HydrophobicContact CD2-CZ3 3.7Å; F1080-W1111 HydrophobicContact CE2-CD2 4.09Å; F1080-W1111 AromaticContact CE2-CE3 3.48Å; F1080-W1111 HydrophobicContact CE2-CE3 3.48Å; F1080-W1111 VanDerWaalsContact CE2-CE3 3.48Å; F1080-W1111 AromaticContact CE2-CZ3 3.81Å; F1080-W1111 HydrophobicContact CE2-CZ3 3.81Å; F1083-W1111 HydrophobicContact CB-CH2 3.87Å; F1083-W1111 HydrophobicContact CB-CZ3 4.06Å; Y1084-W1111 AromaticContact CD2-CE3 3.99Å; Y1084-W1111 HydrophobicContact CD2-CE3 3.99Å; F1107-W1111 HydrophobicContact CB-CB 4.15Å; F1107-W1111 HydrophobicContact CB-CG 4.17Å; F1107-W1111 AromaticContact CD1-CD1 3.49Å; F1107-W1111 VanDerWaalsContact CD1-CD1 3.49Å; F1107-W1111 AromaticContact CD1-CD2 3.97Å; F1107-W1111 HydrophobicContact CD1-CD2 3.97Å; F1107-W1111 AromaticContact CD1-CE2 3.87Å; F1107-W1111 AromaticContact CD1-CG 3.75Å; F1107-W1111 HydrophobicContact CD1-CG 3.75Å; F1107-W1111 AromaticContact CD1-NE1 3.56Å; F1107-W1111 HydrophobicContact CE1-CD2 4.46Å; F1107-W1111 AromaticContact CE1-CE2 3.94Å; F1107-W1111 HydrophobicContact CE1-CZ2 4.34Å; F1107-W1111 AromaticContact CE1-NE1 3.75Å; F1107-W1111 AromaticContact CG-CD1 3.85Å; F1107-W1111 HydrophobicContact CG-CG 4.29Å; P1108-W1111 HydrophobicContact CG-CB 4.09Å; P1108-W1111 WeakPolarHBondContact O-CB 3.45Å; P1108-W1111 PolarHBondContact O-N 2.92Å; P1108-W1111 VanDerWaalsContact O-N 3.07Å; W1111-Q1113 PolarHBondContact O-N 3.42Å; W1111-L1116 HydrophobicContact CD2-CD1 4.14Å; W1111-L1116 HydrophobicContact CE3-CD1 4.09Å; W1111-L1116 HydrophobicContact CH2-CD1 3.81Å; W1111-L1116 HydrophobicContact CZ2-CB 4.02Å; W1111-L1116 HydrophobicContact CZ2-CD1 3.83Å; W1111-L1116 HydrophobicContact CZ3-CD1 3.94Å; W1111-Q1119 HydrophobicContact CH2-CB 4.27Å; W1111-Q1119 HydrophobicContact CZ2-CB 4.05Å; W1111-T1120 PolarHBondContact NE1-OG1 3.41Å; W1111-I1123 HydrophobicContact CH2-CD1 3.71Å; W1111-I1123 HydrophobicContact CZ2-CD1 3.7Å
1112S90.7Very high92Very high43 Ų4378 Ų7830%0.30138%0.378SS..  trans-69.689.9178.5-172.70000112.1D1110 D1114 E1115 L1116D1110-S1112 PolarHBondContact O-N 2.94Å; S1112-D1114 PolarHBondContact O-N 2.98Å; S1112-E1115 WeakPolarHBondContact CB-OE2 3.42Å; S1112-E1115 WeakPolarHBondContact OG-CB 3.4Å; S1112-E1115 WeakPolarHBondContact OG-CG 3.38Å; S1112-E1115 PolarHBondContact OG-OE2 3.28Å; S1112-L1116 VanDerWaalsContact O-CB 3.31Å; S1112-L1116 WeakPolarHBondContact O-CB 3.5Å; S1112-L1116 PolarHBondContact O-N 3.37Å
1113Q90.5Very high92.3Very high78 Ų7873.7 Ų73.736%0.36436%0.359SS..THydrogen-bonded Turntrans-65.3-27.2-179.8-68.6-176.96200113.3W1111 T1120 R1124W1111-Q1113 PolarHBondContact O-N 3.42Å; Q1113-T1120 HydrophobicContact CB-CG2 4.29Å; Q1113-T1120 HydrophobicContact CG-CG2 3.9Å; Q1113-R1124 VanDerWaalsContact OE1-CZ 3.28Å
1114D83.8Confident92.6Very high153 Ų15370.4 Ų70.482%0.81834%0.339SS*.THydrogen-bonded Turntrans-82.3-25.8-176.4-62-45.1000113.1S1112 V1117S1112-D1114 PolarHBondContact O-N 2.98Å; D1114-V1117 WeakPolarHBondContact O-CG2 3.43Å
1115E87.6Confident92.9Very high160 Ų16063.3 Ų63.375%0.74831%0.311SS*.THydrogen-bonded Turntrans-88.4-41.7170.5-66.2170.113300111.2S1112 V1117S1112-E1115 WeakPolarHBondContact CB-OE2 3.42Å; S1112-E1115 WeakPolarHBondContact OG-CB 3.4Å; S1112-E1115 WeakPolarHBondContact OG-CG 3.38Å; S1112-E1115 PolarHBondContact OG-OE2 3.28Å; E1115-V1117 VanDerWaalsContact C-N 3.3Å; E1115-V1117 PolarHBondContact O-N 2.85Å
1116L91.1Very high93.1Very high39 Ų3962.2 Ų62.220%0.20431%0.305CS..SBendtrans-92.944.6-176.7-58.6175.1000112.2W1111 S1112 N1118 Q1119 T1120W1111-L1116 HydrophobicContact CD2-CD1 4.14Å; W1111-L1116 HydrophobicContact CE3-CD1 4.09Å; W1111-L1116 HydrophobicContact CH2-CD1 3.81Å; W1111-L1116 HydrophobicContact CZ2-CB 4.02Å; W1111-L1116 HydrophobicContact CZ2-CD1 3.83Å; W1111-L1116 HydrophobicContact CZ3-CD1 3.94Å; S1112-L1116 VanDerWaalsContact O-CB 3.31Å; S1112-L1116 WeakPolarHBondContact O-CB 3.5Å; S1112-L1116 PolarHBondContact O-N 3.37Å; L1116-N1118 PolarHBondContact O-N 2.85Å; L1116-Q1119 HydrophobicContact CB-CB 4.31Å; L1116-Q1119 PolarHBondContact O-N 3.23Å; L1116-T1120 WeakPolarHBondContact O-CB 3.34Å; L1116-T1120 PolarHBondContact O-N 2.97Å; L1116-T1120 PolarHBondContact O-OG1 2.89Å
1117V92.5Very high93.3Very high81 Ų8158.7 Ų58.749%0.49129%0.287SS..Hα-helixtrans-59.5-45.9-172.1-175.80000112.2D1114 E1115 W1121D1114-V1117 WeakPolarHBondContact O-CG2 3.43Å; E1115-V1117 VanDerWaalsContact C-N 3.3Å; E1115-V1117 PolarHBondContact O-N 2.85Å; V1117-W1121 WeakPolarHBondContact O-CB 3.46Å; V1117-W1121 PolarHBondContact O-N 3.32Å
1118N92.1Very high93.3Very high65 Ų6560.9 Ų60.935%0.34830%0.298SS..Hα-helixtrans-67.7-45.9-177.7-73.6-17.2000111.4W936 L1116 W1121 L1122 R1145W936-N1118 HydrophobicContact CZ2-CB 4.44Å; L1116-N1118 PolarHBondContact O-N 2.85Å; N1118-W1121 PolarHBondContact O-N 3.47Å; N1118-L1122 WeakPolarHBondContact O-CB 3.5Å; N1118-L1122 WeakPolarHBondContact O-CD1 3.42Å; N1118-L1122 VanDerWaalsContact O-CG 3.27Å; N1118-L1122 WeakPolarHBondContact O-CG 2.7Å; N1118-L1122 PolarHBondContact O-N 3.11Å; N1118-R1145 HydrophobicContact CB-CB 4.23Å
1119Q94.6Very high93.2Very high18 Ų1862.3 Ų62.38%0.08430%0.302CS..Hα-helixtrans-61.9-49176.4-60.385.9-25.400110.4W936 F1083 W1111 L1116 W1121 L1122 I1123W936-Q1119 HydrophobicContact CH2-CG 4.13Å; W936-Q1119 HydrophobicContact CZ2-CG 3.74Å; F1083-Q1119 HydrophobicContact CD1-CG 4.06Å; F1083-Q1119 HydrophobicContact CD2-CG 3.93Å; F1083-Q1119 HydrophobicContact CE1-CG 4.22Å; F1083-Q1119 HydrophobicContact CE2-CG 4.1Å; F1083-Q1119 HydrophobicContact CG-CG 3.92Å; F1083-Q1119 HydrophobicContact CZ-CG 4.24Å; W1111-Q1119 HydrophobicContact CH2-CB 4.27Å; W1111-Q1119 HydrophobicContact CZ2-CB 4.05Å; L1116-Q1119 HydrophobicContact CB-CB 4.31Å; L1116-Q1119 PolarHBondContact O-N 3.23Å; Q1119-W1121 VanDerWaalsContact C-N 3.3Å; Q1119-W1121 PolarHBondContact O-N 2.87Å; Q1119-L1122 PolarHBondContact O-N 3.39Å; Q1119-I1123 HydrophobicContact CB-CD1 4.39Å; Q1119-I1123 WeakPolarHBondContact O-CB 3.32Å; Q1119-I1123 WeakPolarHBondContact O-CD1 3.07Å; Q1119-I1123 WeakPolarHBondContact O-CG1 3.27Å; Q1119-I1123 PolarHBondContact O-N 3.14Å
1120T95.6Very high93.2Very high5 Ų554.3 Ų54.33%0.03127%0.27CS..Hα-helixtrans-58.3-41.2178.6-58.30000111.6F1107 W1111 Q1113 L1116 R1124F1107-T1120 HydrophobicContact CE2-CG2 4.06Å; F1107-T1120 HydrophobicContact CZ-CG2 3.97Å; W1111-T1120 PolarHBondContact NE1-OG1 3.41Å; Q1113-T1120 HydrophobicContact CB-CG2 4.29Å; Q1113-T1120 HydrophobicContact CG-CG2 3.9Å; L1116-T1120 WeakPolarHBondContact O-CB 3.34Å; L1116-T1120 PolarHBondContact O-N 2.97Å; L1116-T1120 PolarHBondContact O-OG1 2.89Å; T1120-R1124 VanDerWaalsContact CG2-NH1 3.26Å; T1120-R1124 WeakPolarHBondContact O-CB 3.45Å; T1120-R1124 WeakPolarHBondContact O-CG 3.37Å; T1120-R1124 PolarHBondContact O-N 2.82Å; T1120-R1124 VanDerWaalsContact O-N 3.11Å
1121W95Very high93.2Very high104 Ų10451.7 Ų51.739%0.39426%0.258SS..Hα-helixtrans-66-51.4174.7-171.790.2000111.7V1117 N1118 Q1119 I1123 R1124 T1125 R1145V1117-W1121 WeakPolarHBondContact O-CB 3.46Å; V1117-W1121 PolarHBondContact O-N 3.32Å; N1118-W1121 PolarHBondContact O-N 3.47Å; Q1119-W1121 VanDerWaalsContact C-N 3.3Å; Q1119-W1121 PolarHBondContact O-N 2.87Å; W1121-I1123 PolarHBondContact O-N 2.96Å; W1121-R1124 PolarHBondContact O-N 3.44Å; W1121-R1124 VanDerWaalsContact O-N 3.15Å; W1121-T1125 HydrophobicContact CH2-CG2 4.01Å; W1121-T1125 WeakPolarHBondContact CH2-OG1 3.42Å; W1121-T1125 HydrophobicContact CZ2-CG2 4.32Å; W1121-T1125 WeakPolarHBondContact CZ2-OG1 3.32Å; W1121-T1125 HydrophobicContact CZ3-CG2 4.43Å; W1121-T1125 PolarHBondContact O-N 3.16Å; W1121-T1125 PolarHBondContact O-OG1 3.23Å; W1121-R1145 VanDerWaalsContact CD2-NH1 3.26Å; W1121-R1145 VanDerWaalsContact CZ2-NH1 3.3Å
1122L96.2Very high92.9Very high0 Ų055.6 Ų55.60%029%0.287CS..Hα-helixtrans-59.9-43.6-178.6-73.1164.5000112.1W936 L1079 N1118 Q1119 T1125 M1126 L1140 R1145 V1146W936-L1122 HydrophobicContact CH2-CD1 3.69Å; W936-L1122 HydrophobicContact CZ3-CD1 4.02Å; L1079-L1122 HydrophobicContact CD2-CB 3.8Å; L1079-L1122 HydrophobicContact CD2-CD1 4.39Å; N1118-L1122 WeakPolarHBondContact O-CB 3.5Å; N1118-L1122 WeakPolarHBondContact O-CD1 3.42Å; N1118-L1122 VanDerWaalsContact O-CG 3.27Å; N1118-L1122 WeakPolarHBondContact O-CG 2.7Å; N1118-L1122 PolarHBondContact O-N 3.11Å; Q1119-L1122 PolarHBondContact O-N 3.39Å; L1122-T1125 PolarHBondContact O-N 3.47Å; L1122-M1126 HydrophobicContact CB-CE 4.17Å; L1122-M1126 WeakPolarHBondContact O-CB 2.94Å; L1122-M1126 WeakPolarHBondContact O-CG 3.35Å; L1122-M1126 PolarHBondContact O-N 3.33Å; L1122-L1140 HydrophobicContact CD2-CD2 3.63Å; L1122-R1145 HydrophobicContact CD1-CB 4.15Å; L1122-R1145 HydrophobicContact CD2-CB 4.44Å; L1122-R1145 HydrophobicContact CG-CB 4.28Å; L1122-V1146 HydrophobicContact CD1-CG2 4.04Å; L1122-V1146 HydrophobicContact CD2-CG2 4.42Å
1123I97.1Very high93.1Very high0 Ų059.4 Ų59.40%030%0.298CS..Hα-helixtrans-60.7-46.8174.8-65.4160.8000110.1L1079 F1080 F1107 W1111 Q1119 W1121 T1125 M1126 L1127L1079-I1123 HydrophobicContact CB-CG1 4.29Å; L1079-I1123 HydrophobicContact CD2-CG1 3.98Å; L1079-I1123 HydrophobicContact CG-CD1 4.42Å; L1079-I1123 HydrophobicContact CG-CG1 4.05Å; F1080-I1123 HydrophobicContact CB-CD1 3.9Å; F1080-I1123 HydrophobicContact CB-CG1 4.4Å; F1080-I1123 HydrophobicContact CB-CG2 4.5Å; F1080-I1123 HydrophobicContact CD2-CD1 4.39Å; F1107-I1123 HydrophobicContact CE1-CB 4.31Å; F1107-I1123 HydrophobicContact CE1-CD1 4.25Å; F1107-I1123 HydrophobicContact CE1-CG2 3.88Å; F1107-I1123 HydrophobicContact CZ-CB 4.17Å; F1107-I1123 HydrophobicContact CZ-CG2 3.82Å; W1111-I1123 HydrophobicContact CH2-CD1 3.71Å; W1111-I1123 HydrophobicContact CZ2-CD1 3.7Å; Q1119-I1123 HydrophobicContact CB-CD1 4.39Å; Q1119-I1123 WeakPolarHBondContact O-CB 3.32Å; Q1119-I1123 WeakPolarHBondContact O-CD1 3.07Å; Q1119-I1123 WeakPolarHBondContact O-CG1 3.27Å; Q1119-I1123 PolarHBondContact O-N 3.14Å; W1121-I1123 PolarHBondContact O-N 2.96Å; I1123-T1125 VanDerWaalsContact C-N 3.34Å; I1123-T1125 PolarHBondContact O-N 2.9Å; I1123-M1126 PolarHBondContact O-N 2.9Å; I1123-L1127 HydrophobicContact CG2-CD1 3.59Å; I1123-L1127 HydrophobicContact CG2-CG 4.17Å; I1123-L1127 VanDerWaalsContact O-CB 3.31Å; I1123-L1127 WeakPolarHBondContact O-CB 3.49Å; I1123-L1127 VanDerWaalsContact O-CG 3.31Å; I1123-L1127 WeakPolarHBondContact O-CG 3.29Å; I1123-L1127 PolarHBondContact O-N 3.18Å
1124R95.6Very high93.3Very high93 Ų9356 Ų5635%0.35128%0.282SS..Hα-helixtrans-61.1-37.8176.4-81.1-178.1170.2125.17.8113.5I1105 F1107 Q1113 T1120 W1121 Q1128I1105-R1124 HydrophobicContact CD1-CG 4.4Å; F1107-R1124 HydrophobicContact CE2-CG 3.84Å; F1107-R1124 HydrophobicContact CZ-CG 4.11Å; Q1113-R1124 VanDerWaalsContact OE1-CZ 3.28Å; T1120-R1124 VanDerWaalsContact CG2-NH1 3.26Å; T1120-R1124 WeakPolarHBondContact O-CB 3.45Å; T1120-R1124 WeakPolarHBondContact O-CG 3.37Å; T1120-R1124 PolarHBondContact O-N 2.82Å; T1120-R1124 VanDerWaalsContact O-N 3.11Å; W1121-R1124 PolarHBondContact O-N 3.44Å; W1121-R1124 VanDerWaalsContact O-N 3.15Å; R1124-Q1128 PolarHBondContact O-NE2 3.47Å
1125T95.5Very high93.8Very high27 Ų2749.7 Ų49.717%0.16625%0.249CC..Hα-helixtrans-77.6-33.9-179.9-43.60000111.6W1121 L1122 I1123 Q1128W1121-T1125 HydrophobicContact CH2-CG2 4.01Å; W1121-T1125 WeakPolarHBondContact CH2-OG1 3.42Å; W1121-T1125 HydrophobicContact CZ2-CG2 4.32Å; W1121-T1125 WeakPolarHBondContact CZ2-OG1 3.32Å; W1121-T1125 HydrophobicContact CZ3-CG2 4.43Å; W1121-T1125 PolarHBondContact O-N 3.16Å; W1121-T1125 PolarHBondContact O-OG1 3.23Å; L1122-T1125 PolarHBondContact O-N 3.47Å; I1123-T1125 VanDerWaalsContact C-N 3.34Å; I1123-T1125 PolarHBondContact O-N 2.9Å; T1125-Q1128 WeakPolarHBondContact O-CG 3.12Å
1126M97.5Very high94.2Very high0 Ų043 Ų430%022%0.219CC..Hα-helixtrans-74.1-35.8175-72.4-168.4-80.300113.4F939 I1072 L1075 L1079 L1122 I1123 Q1128 R1134 P1135 L1140F939-M1126 HydrophobicContact CE2-CE 4.12Å; F939-M1126 HydrophobicContact CZ-CE 3.92Å; F939-M1126 HydrophobicContact CZ-SD 4.41Å; I1072-M1126 HydrophobicContact CG2-CB 4.14Å; I1072-M1126 HydrophobicContact CG2-CG 3.69Å; I1072-M1126 HydrophobicContact CG2-SD 4.2Å; L1075-M1126 HydrophobicContact CB-SD 4.14Å; L1075-M1126 HydrophobicContact CD2-SD 3.99Å; L1075-M1126 HydrophobicContact CG-SD 3.85Å; L1079-M1126 HydrophobicContact CB-CE 4.04Å; L1079-M1126 HydrophobicContact CD2-CE 3.43Å; L1079-M1126 VanDerWaalsContact CD2-CE 3.43Å; L1079-M1126 HydrophobicContact CG-CE 4.37Å; L1122-M1126 HydrophobicContact CB-CE 4.17Å; L1122-M1126 WeakPolarHBondContact O-CB 2.94Å; L1122-M1126 WeakPolarHBondContact O-CG 3.35Å; L1122-M1126 PolarHBondContact O-N 3.33Å; I1123-M1126 PolarHBondContact O-N 2.9Å; M1126-Q1128 VanDerWaalsContact C-N 3.31Å; M1126-Q1128 PolarHBondContact O-N 3.12Å; M1126-R1134 VanDerWaalsContact O-CD 3.27Å; M1126-R1134 WeakPolarHBondContact O-CD 3.35Å; M1126-R1134 PolarHBondContact O-NE 3.42Å; M1126-P1135 HydrophobicContact CG-CG 4.3Å; M1126-L1140 HydrophobicContact CG-CD1 4.27Å; M1126-L1140 HydrophobicContact CG-CD2 4.4Å; M1126-L1140 HydrophobicContact SD-CD1 3.72Å; M1126-L1140 HydrophobicContact SD-CD2 4.36Å
1127L96.7Very high94.3Very high1 Ų141.1 Ų41.11%0.00521%0.21CC..THydrogen-bonded Turntrans-86.613.8-178.4-62.3-176.1000114.8Y1073 I1077 I1105 I1123 H1129Y1073-L1127 HydrophobicContact CD1-CD2 4.1Å; Y1073-L1127 HydrophobicContact CD2-CD2 4Å; Y1073-L1127 HydrophobicContact CE1-CD2 3.95Å; Y1073-L1127 HydrophobicContact CE2-CB 4.14Å; Y1073-L1127 HydrophobicContact CE2-CD2 3.87Å; Y1073-L1127 WeakPolarHBondContact CE2-O 3.48Å; Y1073-L1127 HydrophobicContact CG-CD2 4.12Å; Y1073-L1127 WeakPolarHBondContact O-CD2 3.36Å; I1077-L1127 HydrophobicContact CD1-CD1 3.95Å; I1077-L1127 HydrophobicContact CD1-CD2 3.59Å; I1077-L1127 HydrophobicContact CD1-CG 4.45Å; I1077-L1127 HydrophobicContact CG1-CD2 3.74Å; I1105-L1127 HydrophobicContact CD1-CB 3.74Å; I1105-L1127 HydrophobicContact CG1-CB 4.34Å; I1123-L1127 HydrophobicContact CG2-CD1 3.59Å; I1123-L1127 HydrophobicContact CG2-CG 4.17Å; I1123-L1127 VanDerWaalsContact O-CB 3.31Å; I1123-L1127 WeakPolarHBondContact O-CB 3.49Å; I1123-L1127 VanDerWaalsContact O-CG 3.31Å; I1123-L1127 WeakPolarHBondContact O-CG 3.29Å; I1123-L1127 PolarHBondContact O-N 3.18Å; L1127-H1129 PolarHBondContact O-N 2.79Å
1128Q95.2Very high94.3Very high65 Ų6540.3 Ų40.330%0.30421%0.208SC..  trans-56.8132.4171.5-68.8-62-60.300110.6R1124 T1125 M1126 D1130 K1133 R1134R1124-Q1128 PolarHBondContact O-NE2 3.47Å; T1125-Q1128 WeakPolarHBondContact O-CG 3.12Å; M1126-Q1128 VanDerWaalsContact C-N 3.31Å; M1126-Q1128 PolarHBondContact O-N 3.12Å; Q1128-D1130 VanDerWaalsContact C-N 3.3Å; Q1128-D1130 PolarHBondContact O-N 3.08Å; Q1128-K1133 HydrophobicContact CB-CB 4.04Å; Q1128-K1133 HydrophobicContact CG-CB 3.97Å; Q1128-R1134 HydrophobicContact CB-CG 4.14Å; Q1128-R1134 VanDerWaalsContact O-CZ 3.26Å; Q1128-R1134 PolarHBondContact O-NE 2.94Å; Q1128-R1134 PolarHBondContact O-NH2 3.01Å
1129H92.6Very high94.4Very high55 Ų5541 Ų4126%0.25521%0.212SC..SBendtrans-66.4-35.1177-85.4-135000111.9P1053 R1101 E1103 L1127 P1131 R1134P1053-H1129 HydrophobicContact CG-CB 4.45Å; R1101-H1129 PolarHBondContact O-CE1 3Å; R1101-H1129 PolarHBondContact O-NE2 2.87Å; E1103-H1129 HydrophobicContact CG-CB 4.45Å; E1103-H1129 PolarHBondContact N-NE2 3.33Å; L1127-H1129 PolarHBondContact O-N 2.79Å; H1129-P1131 WeakPolarHBondContact O-CD 3.49Å; H1129-R1134 PolarHBondContact O-NH2 3.23Å
1130D90.3Very high94.4Very high55 Ų5540.3 Ų40.329%0.29421%0.209SC..SBendtrans-75.1115171.2-179.6-12.7000110.8Q1128 S1132 K1133Q1128-D1130 VanDerWaalsContact C-N 3.3Å; Q1128-D1130 PolarHBondContact O-N 3.08Å; D1130-S1132 VanDerWaalsContact CG-OG 3.3Å; D1130-S1132 PolarHBondContact O-N 2.81Å; D1130-S1132 WeakPolarHBondContact OD1-CB 3.43Å; D1130-S1132 PolarHBondContact OD1-N 2.98Å; D1130-S1132 PolarHBondContact OD1-OG 2.93Å; D1130-S1132 PolarHBondContact OD2-OG 3.32Å; D1130-K1133 HydrophobicContact CB-CB 4.41Å; D1130-K1133 HydrophobicContact CB-CD 4.15Å; D1130-K1133 HydrophobicContact CB-CG 4.1Å; D1130-K1133 PolarHBondContact O-N 3.49Å; D1130-K1133 WeakPolarHBondContact OD2-CE 3.37Å; D1130-K1133 IonicContact OD2-NZ 3.78Å; D1130-K1133 PolarHBondContact OD2-NZ 3.15Å
1131P91.4Very high94.1Very high32 Ų3241.9 Ų41.921%0.20822%0.217CC..G310 helixtrans-60.8-31.4-178.3-23.434.8000113.5E1054 R1069 H1129 K1133 R1134E1054-P1131 HydrophobicContact CB-CG 4.35Å; E1054-P1131 HydrophobicContact CG-CG 3.85Å; R1069-P1131 HydrophobicContact CB-CB 4.14Å; H1129-P1131 WeakPolarHBondContact O-CD 3.49Å; P1131-K1133 PolarHBondContact O-N 3.02Å; P1131-R1134 WeakPolarHBondContact O-CB 3.44Å; P1131-R1134 PolarHBondContact O-N 3.48Å
1132S89.9Confident93.7Very high94 Ų9441.4 Ų41.466%0.65723%0.225SC*.G310 helixtrans-68.8-22.1-177.773.50000113.2D1130D1130-S1132 VanDerWaalsContact CG-OG 3.3Å; D1130-S1132 PolarHBondContact O-N 2.81Å; D1130-S1132 WeakPolarHBondContact OD1-CB 3.43Å; D1130-S1132 PolarHBondContact OD1-N 2.98Å; D1130-S1132 PolarHBondContact OD1-OG 2.93Å; D1130-S1132 PolarHBondContact OD2-OG 3.32Å
1133K93.3Very high93.3Very high122 Ų12242.6 Ų42.653%0.5323%0.234SC..G310 helixtrans-87.1-7.4177.4-64.8-172.2-178.598.90113.9Q1128 D1130 P1131Q1128-K1133 HydrophobicContact CB-CB 4.04Å; Q1128-K1133 HydrophobicContact CG-CB 3.97Å; D1130-K1133 HydrophobicContact CB-CB 4.41Å; D1130-K1133 HydrophobicContact CB-CD 4.15Å; D1130-K1133 HydrophobicContact CB-CG 4.1Å; D1130-K1133 PolarHBondContact O-N 3.49Å; D1130-K1133 WeakPolarHBondContact OD2-CE 3.37Å; D1130-K1133 IonicContact OD2-NZ 3.78Å; D1130-K1133 PolarHBondContact OD2-NZ 3.15Å; P1131-K1133 PolarHBondContact O-N 3.02Å
1134R95.2Very high92.6Very high8 Ų844.9 Ų44.93%0.0325%0.249CC..SBendtrans-74.8160.6172.6-58.2-178.1-163.7140.712.7109.7E1054 R1069 I1072 M1126 Q1128 H1129 P1131E1054-R1134 IonicContact OE1-CZ 3.9Å; E1054-R1134 IonicContact OE1-NH1 3.71Å; E1054-R1134 PolarHBondContact OE1-NH1 2.88Å; E1054-R1134 IonicContact OE1-NH2 2.64Å; E1054-R1134 PolarHBondContact OE1-NH2 3.1Å; E1054-R1134 IonicContact OE2-CZ 3.4Å; E1054-R1134 IonicContact OE2-NH1 3.51Å; E1054-R1134 IonicContact OE2-NH2 2.68Å; E1054-R1134 PolarHBondContact OE2-NH2 3.21Å; R1069-R1134 PolarHBondContact NH1-O 3.05Å; R1069-R1134 WeakPolarHBondContact O-CD 3.3Å; R1069-R1134 PolarHBondContact O-NH1 3.4Å; I1072-R1134 HydrophobicContact CG2-CB 4.24Å; M1126-R1134 VanDerWaalsContact O-CD 3.27Å; M1126-R1134 WeakPolarHBondContact O-CD 3.35Å; M1126-R1134 PolarHBondContact O-NE 3.42Å; Q1128-R1134 HydrophobicContact CB-CG 4.14Å; Q1128-R1134 VanDerWaalsContact O-CZ 3.26Å; Q1128-R1134 PolarHBondContact O-NE 2.94Å; Q1128-R1134 PolarHBondContact O-NH2 3.01Å; H1129-R1134 PolarHBondContact O-NH2 3.23Å; P1131-R1134 WeakPolarHBondContact O-CB 3.44Å; P1131-R1134 PolarHBondContact O-N 3.48Å
1135P95.2Very high92.2Very high19 Ų1944 Ų4412%0.12325%0.246CC..PPolyproline II helixtrans-80.2164.8163.833.5-31.7000110.6R1069 I1072 M1126 D1139 L1140R1069-P1135 PolarHBondContact NH1-O 2.83Å; I1072-P1135 HydrophobicContact CG2-CG 4.24Å; M1126-P1135 HydrophobicContact CG-CG 4.3Å; P1135-D1139 HydrophobicContact CB-CB 3.98Å; P1135-L1140 HydrophobicContact CB-CD2 4.25Å; P1135-L1140 HydrophobicContact CB-CG 4.06Å; P1135-L1140 HydrophobicContact CG-CD1 4.08Å; P1135-L1140 HydrophobicContact CG-CD2 3.59Å; P1135-L1140 HydrophobicContact CG-CG 3.66Å
1136S95Very high91.7Very high19 Ų1943.5 Ų43.513%0.13324%0.243CC..PPolyproline II helixtrans-82168.3159.472.60000110.9S1138 D1139 L1140S1136-S1138 VanDerWaalsContact C-N 3.27Å; S1136-S1138 PolarHBondContact O-N 3.36Å; S1136-S1138 PolarHBondContact OG-N 3.08Å; S1136-D1139 VanDerWaalsContact CB-OD2 3.23Å; S1136-D1139 WeakPolarHBondContact CB-OD2 3.47Å; S1136-D1139 PolarHBondContact N-OD2 3.39Å; S1136-D1139 PolarHBondContact O-N 2.9Å; S1136-D1139 PolarHBondContact OG-N 3.49Å; S1136-D1139 PolarHBondContact OG-OD2 3.16Å; S1136-L1140 PolarHBondContact O-N 3.35Å
1137A94.7Very high90.8Very high1 Ų145.7 Ų45.71%0.00826%0.257CS..Hα-helixtrans-61.1-36.3174.500000112.3T943 L946 A947 I1072 L1140 L1141T943-A1137 HydrophobicContact CG2-CB 4.17Å; T943-A1137 WeakPolarHBondContact CG2-O 3.18Å; L946-A1137 HydrophobicContact CB-CB 4.24Å; L946-A1137 HydrophobicContact CD2-CB 4.42Å; A947-A1137 HydrophobicContact CB-CB 3.74Å; I1072-A1137 HydrophobicContact CD1-CB 3.98Å; A1137-L1140 WeakPolarHBondContact O-CB 3.19Å; A1137-L1140 PolarHBondContact O-N 2.68Å; A1137-L1141 WeakPolarHBondContact O-CG 3.39Å; A1137-L1141 PolarHBondContact O-N 2.73Å
1138S92.5Very high89.3Confident64 Ų6448.6 Ų48.645%0.44828%0.276SS..Hα-helixtrans-66.9-36.9174.3-54.30000112.7S1136 L1140 L1141 T1142S1136-S1138 VanDerWaalsContact C-N 3.27Å; S1136-S1138 PolarHBondContact O-N 3.36Å; S1136-S1138 PolarHBondContact OG-N 3.08Å; S1138-L1140 VanDerWaalsContact C-N 3.27Å; S1138-L1140 PolarHBondContact O-N 3.36Å; S1138-L1141 PolarHBondContact O-N 2.99Å; S1138-T1142 PolarHBondContact O-N 2.84Å; S1138-T1142 VanDerWaalsContact O-N 3.15Å; S1138-T1142 PolarHBondContact O-OG1 3.21Å
1139D94.2Very high87.6Confident80 Ų8047.2 Ų47.243%0.42827%0.269SS..Hα-helixtrans-69.2-28.4175.8-53.2-44.2000111.6P1135 S1136 T1142 S1143P1135-D1139 HydrophobicContact CB-CB 3.98Å; S1136-D1139 VanDerWaalsContact CB-OD2 3.23Å; S1136-D1139 WeakPolarHBondContact CB-OD2 3.47Å; S1136-D1139 PolarHBondContact N-OD2 3.39Å; S1136-D1139 PolarHBondContact O-N 2.9Å; S1136-D1139 PolarHBondContact OG-N 3.49Å; S1136-D1139 PolarHBondContact OG-OD2 3.16Å; D1139-T1142 WeakPolarHBondContact CA-OG1 3.41Å; D1139-T1142 PolarHBondContact O-OG1 3.48Å; D1139-S1143 WeakPolarHBondContact O-CB 3.49Å; D1139-S1143 PolarHBondContact O-N 2.91Å
1140L93.8Very high85.8Confident3 Ų350.6 Ų50.62%0.01628%0.283CS..Hα-helixtrans-71.8-45.8173.1-73.5170.1000111.7T943 I1072 L1075 L1122 M1126 P1135 S1136 A1137 S1138 T1142 S1143 V1146T943-L1140 HydrophobicContact CG2-CB 3.78Å; T943-L1140 HydrophobicContact CG2-CD1 4.25Å; I1072-L1140 HydrophobicContact CD1-CD1 4.19Å; I1072-L1140 HydrophobicContact CG2-CD1 4.32Å; L1075-L1140 HydrophobicContact CD2-CD1 3.83Å; L1122-L1140 HydrophobicContact CD2-CD2 3.63Å; M1126-L1140 HydrophobicContact CG-CD1 4.27Å; M1126-L1140 HydrophobicContact CG-CD2 4.4Å; M1126-L1140 HydrophobicContact SD-CD1 3.72Å; M1126-L1140 HydrophobicContact SD-CD2 4.36Å; P1135-L1140 HydrophobicContact CB-CD2 4.25Å; P1135-L1140 HydrophobicContact CB-CG 4.06Å; P1135-L1140 HydrophobicContact CG-CD1 4.08Å; P1135-L1140 HydrophobicContact CG-CD2 3.59Å; P1135-L1140 HydrophobicContact CG-CG 3.66Å; S1136-L1140 PolarHBondContact O-N 3.35Å; A1137-L1140 WeakPolarHBondContact O-CB 3.19Å; A1137-L1140 PolarHBondContact O-N 2.68Å; S1138-L1140 VanDerWaalsContact C-N 3.27Å; S1138-L1140 PolarHBondContact O-N 3.36Å; L1140-T1142 VanDerWaalsContact C-N 3.26Å; L1140-T1142 PolarHBondContact O-N 2.78Å; L1140-S1143 WeakPolarHBondContact O-CB 3.46Å; L1140-S1143 PolarHBondContact O-N 3.46Å; L1140-V1146 WeakPolarHBondContact O-CG2 3.37Å
1141L88.5Confident83.8Confident38 Ų3851 Ų5120%0.19929%0.29CS..Hα-helixtrans-64.2-29.3178.9-70162.8000113.7R940 T943 D944 A947 A1137 S1138R940-L1141 HydrophobicContact CG-CD2 3.97Å; T943-L1141 HydrophobicContact CG2-CD1 4.4Å; T943-L1141 HydrophobicContact CG2-CD2 4.08Å; T943-L1141 HydrophobicContact CG2-CG 3.8Å; D944-L1141 HydrophobicContact CB-CD1 4.31Å; D944-L1141 HydrophobicContact CB-CD2 4.13Å; A947-L1141 HydrophobicContact CB-CD1 3.56Å; A1137-L1141 WeakPolarHBondContact O-CG 3.39Å; A1137-L1141 PolarHBondContact O-N 2.73Å; S1138-L1141 PolarHBondContact O-N 2.99Å
1142T86.3Confident81.7Confident94 Ų9452.1 Ų52.158%0.57730%0.296SS*.THydrogen-bonded Turntrans-91.4-2.2175.153.60000113S1138 D1139 L1140 S1144S1138-T1142 PolarHBondContact O-N 2.84Å; S1138-T1142 VanDerWaalsContact O-N 3.15Å; S1138-T1142 PolarHBondContact O-OG1 3.21Å; D1139-T1142 WeakPolarHBondContact CA-OG1 3.41Å; D1139-T1142 PolarHBondContact O-OG1 3.48Å; L1140-T1142 VanDerWaalsContact C-N 3.26Å; L1140-T1142 PolarHBondContact O-N 2.78Å; T1142-S1144 PolarHBondContact O-N 3.49Å
1143S89.6Confident79.6Confident25 Ų2550.5 Ų50.518%0.17528%0.278CS..  trans-74.6125.1178.8-1650000111.5D1139 L1140 R1145 V1146D1139-S1143 WeakPolarHBondContact O-CB 3.49Å; D1139-S1143 PolarHBondContact O-N 2.91Å; L1140-S1143 WeakPolarHBondContact O-CB 3.46Å; L1140-S1143 PolarHBondContact O-N 3.46Å; S1143-R1145 PolarHBondContact O-N 3.41Å; S1143-V1146 PolarHBondContact O-N 3.43Å
1144S81.5Confident77.4Confident47 Ų4747.7 Ų47.733%0.32928%0.278SS..THydrogen-bonded Turntrans-60.1-6.417355.40000115.3T1142 T1247T1142-S1144 PolarHBondContact O-N 3.49Å; S1144-T1247 WeakPolarHBondContact OG-CG2 3.37Å
1145R86.3Confident75.1Confident76 Ų7649.5 Ų49.529%0.28729%0.294SS..THydrogen-bonded Turntrans-89.5-11.1172.4-66.5-167.1-177.390.34.2114.3N1118 W1121 L1122 S1143N1118-R1145 HydrophobicContact CB-CB 4.23Å; W1121-R1145 VanDerWaalsContact CD2-NH1 3.26Å; W1121-R1145 VanDerWaalsContact CZ2-NH1 3.3Å; L1122-R1145 HydrophobicContact CD1-CB 4.15Å; L1122-R1145 HydrophobicContact CD2-CB 4.44Å; L1122-R1145 HydrophobicContact CG-CB 4.28Å; S1143-R1145 PolarHBondContact O-N 3.41Å
1146V86.8Confident73Confident15 Ų1551.8 Ų51.89%0.09130%0.303CS..SBendtrans-94.9117170.8-179.10000107.5W936 F939 R940 L1122 L1140 S1143W936-V1146 HydrophobicContact CE3-CG1 4.44Å; W936-V1146 HydrophobicContact CZ3-CG1 4.41Å; W936-V1146 HydrophobicContact CZ3-CG2 4.42Å; F939-V1146 HydrophobicContact CD1-CG1 4.38Å; F939-V1146 HydrophobicContact CE1-CG2 4.04Å; R940-V1146 HydrophobicContact CB-CG1 4.49Å; L1122-V1146 HydrophobicContact CD1-CG2 4.04Å; L1122-V1146 HydrophobicContact CD2-CG2 4.42Å; L1140-V1146 WeakPolarHBondContact O-CG2 3.37Å; S1143-V1146 PolarHBondContact O-N 3.43Å
1147P76.8Confident70.8Confident46 Ų4656.4 Ų56.430%0.29932%0.32SS..PPolyproline II helixtrans-62.2150.3-176.7-25.135.9000113.3W936W936-P1147 HydrophobicContact CD2-CG 3.77Å; W936-P1147 VanDerWaalsContact CE3-CD 3.44Å; W936-P1147 HydrophobicContact CE3-CG 4.35Å; W936-P1147 HydrophobicContact CG-CG 3.86Å; W936-P1147 HydrophobicContact CZ2-CG 4.27Å
1148P65.7Low68.9Low62 Ų6262.7 Ų62.740%0.40335%0.347SS..PPolyproline II helixtrans-60.5150.5166.826.4-32.6000110.7K1150P1148-K1150 PolarHBondContact O-N 2.96Å
1149F60.3Low67Low37 Ų3765.1 Ų65.116%0.16235%0.352CS..PPolyproline II helixtrans-61.9120.4176.2-90.1-84.7000109S937 R940 E941 S1151 T1152 E1153S937-F1149 WeakPolarHBondContact OG-CD1 3.34Å; S937-F1149 WeakPolarHBondContact OG-CE1 3.37Å; R940-F1149 HydrophobicContact CG-CD2 4.34Å; R940-F1149 HydrophobicContact CG-CE2 4.07Å; R940-F1149 VanDerWaalsContact NH1-N 3.17Å; E941-F1149 HydrophobicContact CG-CE1 3.75Å; E941-F1149 HydrophobicContact CG-CZ 3.43Å; E941-F1149 VanDerWaalsContact CG-CZ 3.43Å; E941-F1149 WeakPolarHBondContact OE1-CE1 3.35Å; F1149-S1151 VanDerWaalsContact CD1-OG 3.27Å; F1149-S1151 WeakPolarHBondContact CD1-OG 3.38Å; F1149-S1151 PolarHBondContact O-N 3.38Å; F1149-T1152 HydrophobicContact CB-CG2 3.64Å; F1149-T1152 VanDerWaalsContact CB-OG1 3.27Å; F1149-T1152 WeakPolarHBondContact CB-OG1 3.39Å; F1149-T1152 HydrophobicContact CD2-CG2 3.98Å; F1149-T1152 HydrophobicContact CG-CG2 4.1Å; F1149-T1152 CarbonylContact O-C 3.6Å; F1149-T1152 WeakPolarHBondContact O-CA 3.08Å; F1149-T1152 PolarHBondContact O-N 2.98Å; F1149-T1152 PolarHBondContact O-OG1 3.13Å; F1149-E1153 PolarHBondContact O-N 3.47Å
1150K53.7Low65Low126 Ų12662.7 Ų62.755%0.54834%0.339SS..Hα-helixtrans-58.6-30.1168.6-80.9-175.5173.6173.50112.2D933 P1148 E1153 A1154D933-K1150 HydrophobicContact CB-CD 4.31Å; D933-K1150 WeakPolarHBondContact OD1-CD 3.38Å; D933-K1150 VanDerWaalsContact OD1-CE 3.26Å; D933-K1150 WeakPolarHBondContact OD1-CE 3.46Å; D933-K1150 IonicContact OD1-NZ 3.03Å; D933-K1150 PolarHBondContact OD1-NZ 2.58Å; D933-K1150 IonicContact OD2-NZ 3.41Å; D933-K1150 PolarHBondContact OD2-NZ 2.88Å; P1148-K1150 PolarHBondContact O-N 2.96Å; K1150-E1153 PolarHBondContact O-N 3.35Å; K1150-A1154 VanDerWaalsContact O-CB 3.27Å; K1150-A1154 WeakPolarHBondContact O-CB 3.22Å; K1150-A1154 PolarHBondContact O-N 3.19Å
1151S49.4Very low63.1Low62 Ų6268.6 Ų68.643%0.43437%0.368SS..Hα-helixtrans-64.6-45.417060.30000111.7F1149 E1153 A1154 A1155F1149-S1151 VanDerWaalsContact CD1-OG 3.27Å; F1149-S1151 WeakPolarHBondContact CD1-OG 3.38Å; F1149-S1151 PolarHBondContact O-N 3.38Å; S1151-E1153 PolarHBondContact O-N 3.48Å; S1151-A1154 PolarHBondContact O-N 3.18Å; S1151-A1155 WeakPolarHBondContact O-CA 3.43Å; S1151-A1155 WeakPolarHBondContact O-CB 3.05Å; S1151-A1155 PolarHBondContact O-N 3.42Å
1152T47Very low61.6Low56 Ų5671.1 Ų71.134%0.34438%0.379SS..Hα-helixtrans-65.1-37172.864.70000111.9F1149 F1156F1149-T1152 HydrophobicContact CB-CG2 3.64Å; F1149-T1152 VanDerWaalsContact CB-OG1 3.27Å; F1149-T1152 WeakPolarHBondContact CB-OG1 3.39Å; F1149-T1152 HydrophobicContact CD2-CG2 3.98Å; F1149-T1152 HydrophobicContact CG-CG2 4.1Å; F1149-T1152 CarbonylContact O-C 3.6Å; F1149-T1152 WeakPolarHBondContact O-CA 3.08Å; F1149-T1152 PolarHBondContact O-N 2.98Å; F1149-T1152 PolarHBondContact O-OG1 3.13Å; T1152-F1156 WeakPolarHBondContact O-CA 3.26Å; T1152-F1156 WeakPolarHBondContact O-CB 3.36Å; T1152-F1156 PolarHBondContact O-N 3.02Å
1153E45.4Very low60.2Low60 Ų6067.8 Ų67.828%0.2836%0.357SS..Hα-helixtrans-68.4-43.3178.5-157.8-159.513100111.2F1149 K1150 S1151 K1157F1149-E1153 PolarHBondContact O-N 3.47Å; K1150-E1153 PolarHBondContact O-N 3.35Å; S1151-E1153 PolarHBondContact O-N 3.48Å; E1153-K1157 HydrophobicContact CG-CD 4.41Å; E1153-K1157 WeakPolarHBondContact O-CB 3.48Å; E1153-K1157 VanDerWaalsContact O-CG 3.22Å; E1153-K1157 WeakPolarHBondContact O-CG 3.13Å; E1153-K1157 PolarHBondContact O-N 3.3Å; E1153-K1157 VanDerWaalsContact OE1-CE 3.29Å; E1153-K1157 WeakPolarHBondContact OE1-CE 3.29Å; E1153-K1157 IonicContact OE1-NZ 3.21Å; E1153-K1157 PolarHBondContact OE1-NZ 2.8Å
1154A46.7Very low58.4Low63 Ų6369.1 Ų69.152%0.52137%0.366SS..Hα-helixtrans-70.7-36.5176.400000113K1150 S1151 K1158K1150-A1154 VanDerWaalsContact O-CB 3.27Å; K1150-A1154 WeakPolarHBondContact O-CB 3.22Å; K1150-A1154 PolarHBondContact O-N 3.19Å; S1151-A1154 PolarHBondContact O-N 3.18Å; A1154-K1158 VanDerWaalsContact O-CB 3.24Å; A1154-K1158 WeakPolarHBondContact O-CB 3.38Å; A1154-K1158 PolarHBondContact O-N 2.98Å
1155A46.5Very low57.1Low46 Ų4674.2 Ų74.238%0.3838%0.382SS..Hα-helixtrans-79.4-31177.800000112.4S1151 K1158 Q1159S1151-A1155 WeakPolarHBondContact O-CA 3.43Å; S1151-A1155 WeakPolarHBondContact O-CB 3.05Å; S1151-A1155 PolarHBondContact O-N 3.42Å; A1155-K1158 PolarHBondContact O-N 3.36Å; A1155-Q1159 VanDerWaalsContact O-CB 3.25Å; A1155-Q1159 WeakPolarHBondContact O-CB 3.39Å; A1155-Q1159 VanDerWaalsContact O-CG 3.28Å; A1155-Q1159 WeakPolarHBondContact O-CG 3.49Å; A1155-Q1159 PolarHBondContact O-N 3.4Å
1156F51.3Low55.9Low68 Ų6874.1 Ų74.130%0.29839%0.39SS..Hα-helixtrans-74.3-39.1169.6-175.3-103.5000110.2T1152 K1158 Q1159 L1160 V1255 L1257T1152-F1156 WeakPolarHBondContact O-CA 3.26Å; T1152-F1156 WeakPolarHBondContact O-CB 3.36Å; T1152-F1156 PolarHBondContact O-N 3.02Å; F1156-K1158 VanDerWaalsContact C-N 3.33Å; F1156-K1158 PolarHBondContact O-N 3.08Å; F1156-Q1159 PolarHBondContact O-N 2.84Å; F1156-L1160 HydrophobicContact CD1-CD1 3.6Å; F1156-L1160 HydrophobicContact CD1-CG 4.08Å; F1156-L1160 HydrophobicContact CE1-CD1 3.43Å; F1156-L1160 VanDerWaalsContact CE1-CD1 3.43Å; F1156-L1160 HydrophobicContact CE1-CD2 4.49Å; F1156-L1160 HydrophobicContact CE1-CG 3.99Å; F1156-L1160 HydrophobicContact CG-CD1 4.44Å; F1156-L1160 HydrophobicContact CG-CG 4.47Å; F1156-L1160 HydrophobicContact CZ-CD1 4.13Å; F1156-L1160 HydrophobicContact CZ-CD2 4.38Å; F1156-L1160 HydrophobicContact CZ-CG 4.27Å; F1156-L1160 WeakPolarHBondContact O-CA 3.29Å; F1156-L1160 WeakPolarHBondContact O-CB 3.04Å; F1156-L1160 WeakPolarHBondContact O-CG 3.27Å; F1156-L1160 PolarHBondContact O-N 2.84Å; F1156-V1255 HydrophobicContact CD1-CB 4.28Å; F1156-V1255 HydrophobicContact CD1-CG1 3.73Å; F1156-V1255 HydrophobicContact CD1-CG2 3.93Å; F1156-V1255 HydrophobicContact CE1-CB 4.16Å; F1156-V1255 HydrophobicContact CE1-CG1 3.82Å; F1156-V1255 HydrophobicContact CE1-CG2 4.11Å; F1156-V1255 HydrophobicContact CG-CG2 4.22Å; F1156-L1257 HydrophobicContact CE1-CD1 4.12Å
1157K50.5Low54.4Low116 Ų11676 Ų7650%0.50440%0.402SS..Hα-helixtrans-59.3-43.1166-79.7171.8169.2171.80110.7E1153 M1161E1153-K1157 HydrophobicContact CG-CD 4.41Å; E1153-K1157 WeakPolarHBondContact O-CB 3.48Å; E1153-K1157 VanDerWaalsContact O-CG 3.22Å; E1153-K1157 WeakPolarHBondContact O-CG 3.13Å; E1153-K1157 PolarHBondContact O-N 3.3Å; E1153-K1157 VanDerWaalsContact OE1-CE 3.29Å; E1153-K1157 WeakPolarHBondContact OE1-CE 3.29Å; E1153-K1157 IonicContact OE1-NZ 3.21Å; E1153-K1157 PolarHBondContact OE1-NZ 2.8Å; K1157-M1161 VanDerWaalsContact O-CB 3.25Å; K1157-M1161 WeakPolarHBondContact O-CB 3.11Å; K1157-M1161 WeakPolarHBondContact O-CG 3.3Å; K1157-M1161 PolarHBondContact O-N 2.56Å
1158K53.9Low53.2Low132 Ų13279.9 Ų79.957%0.57442%0.421SS*.Hα-helixtrans-66.3-45.3176.2-173-178174.6-172.50112.7A1154 A1155 F1156 M1161 E1162A1154-K1158 VanDerWaalsContact O-CB 3.24Å; A1154-K1158 WeakPolarHBondContact O-CB 3.38Å; A1154-K1158 PolarHBondContact O-N 2.98Å; A1155-K1158 PolarHBondContact O-N 3.36Å; F1156-K1158 VanDerWaalsContact C-N 3.33Å; F1156-K1158 PolarHBondContact O-N 3.08Å; K1158-M1161 CarbonylContact O-C 3.59Å; K1158-M1161 PolarHBondContact O-N 2.76Å; K1158-E1162 VanDerWaalsContact CE-OE1 3.27Å; K1158-E1162 WeakPolarHBondContact CE-OE1 3.26Å; K1158-E1162 WeakPolarHBondContact O-CG 3.41Å; K1158-E1162 PolarHBondContact O-N 2.86Å
1159Q53Low53.1Low116 Ų11678.6 Ų78.654%0.54241%0.413SS..Hα-helixtrans-65.8-45.1176.5-79.1-178.50.900110.8A1155 F1156 M1161 E1162 I1163A1155-Q1159 VanDerWaalsContact O-CB 3.25Å; A1155-Q1159 WeakPolarHBondContact O-CB 3.39Å; A1155-Q1159 VanDerWaalsContact O-CG 3.28Å; A1155-Q1159 WeakPolarHBondContact O-CG 3.49Å; A1155-Q1159 PolarHBondContact O-N 3.4Å; F1156-Q1159 PolarHBondContact O-N 2.84Å; Q1159-M1161 VanDerWaalsContact C-N 3.3Å; Q1159-M1161 PolarHBondContact O-N 3.06Å; Q1159-E1162 CarbonylContact O-C 3.55Å; Q1159-E1162 PolarHBondContact O-N 3Å; Q1159-E1162 VanDerWaalsContact O-N 3.14Å; Q1159-I1163 HydrophobicContact CB-CD1 4.38Å; Q1159-I1163 VanDerWaalsContact O-CB 3.26Å; Q1159-I1163 WeakPolarHBondContact O-CB 3.24Å; Q1159-I1163 VanDerWaalsContact O-CD1 3.31Å; Q1159-I1163 WeakPolarHBondContact O-CD1 3.29Å; Q1159-I1163 WeakPolarHBondContact O-CG1 3.34Å; Q1159-I1163 PolarHBondContact O-N 3.15Å
1160L52.1Low53Low29 Ų2983 Ų8315%0.15244%0.438CS..Hα-helixtrans-54.3-47.2169.8-78.3176.2000110.6F1156 E1162 I1163 C1164 V1175F1156-L1160 HydrophobicContact CD1-CD1 3.6Å; F1156-L1160 HydrophobicContact CD1-CG 4.08Å; F1156-L1160 HydrophobicContact CE1-CD1 3.43Å; F1156-L1160 VanDerWaalsContact CE1-CD1 3.43Å; F1156-L1160 HydrophobicContact CE1-CD2 4.49Å; F1156-L1160 HydrophobicContact CE1-CG 3.99Å; F1156-L1160 HydrophobicContact CG-CD1 4.44Å; F1156-L1160 HydrophobicContact CG-CG 4.47Å; F1156-L1160 HydrophobicContact CZ-CD1 4.13Å; F1156-L1160 HydrophobicContact CZ-CD2 4.38Å; F1156-L1160 HydrophobicContact CZ-CG 4.27Å; F1156-L1160 WeakPolarHBondContact O-CA 3.29Å; F1156-L1160 WeakPolarHBondContact O-CB 3.04Å; F1156-L1160 WeakPolarHBondContact O-CG 3.27Å; F1156-L1160 PolarHBondContact O-N 2.84Å; L1160-E1162 VanDerWaalsContact C-N 3.32Å; L1160-E1162 PolarHBondContact O-N 3.34Å; L1160-I1163 PolarHBondContact O-N 3.28Å; L1160-C1164 VanDerWaalsContact O-CB 3.24Å; L1160-C1164 WeakPolarHBondContact O-CB 3.33Å; L1160-C1164 PolarHBondContact O-N 3.12Å; L1160-C1164 PolarHBondContact O-SG 3.4Å; L1160-V1175 HydrophobicContact CD2-CG1 3.56Å; L1160-V1175 HydrophobicContact CD2-CG2 4.47Å
1161M54.7Low52.9Low126 Ų12682.2 Ų82.262%0.62144%0.439SS*.Hα-helixtrans-67.2-27.9178.5-70.3-74.1-86.100113.2K1157 K1158 Q1159 K1165K1157-M1161 VanDerWaalsContact O-CB 3.25Å; K1157-M1161 WeakPolarHBondContact O-CB 3.11Å; K1157-M1161 WeakPolarHBondContact O-CG 3.3Å; K1157-M1161 PolarHBondContact O-N 2.56Å; K1158-M1161 CarbonylContact O-C 3.59Å; K1158-M1161 PolarHBondContact O-N 2.76Å; Q1159-M1161 VanDerWaalsContact C-N 3.3Å; Q1159-M1161 PolarHBondContact O-N 3.06Å; M1161-K1165 VanDerWaalsContact O-CG 3.23Å; M1161-K1165 WeakPolarHBondContact O-CG 3.36Å; M1161-K1165 PolarHBondContact O-N 2.92Å
1162E55.3Low53.4Low92 Ų9279.4 Ų79.443%0.4342%0.419SS..Hα-helixtrans-79.2-37.1171.7-76.6175.317900112.7K1158 Q1159 L1160 C1164 K1165 T1166K1158-E1162 VanDerWaalsContact CE-OE1 3.27Å; K1158-E1162 WeakPolarHBondContact CE-OE1 3.26Å; K1158-E1162 WeakPolarHBondContact O-CG 3.41Å; K1158-E1162 PolarHBondContact O-N 2.86Å; Q1159-E1162 CarbonylContact O-C 3.55Å; Q1159-E1162 PolarHBondContact O-N 3Å; Q1159-E1162 VanDerWaalsContact O-N 3.14Å; L1160-E1162 VanDerWaalsContact C-N 3.32Å; L1160-E1162 PolarHBondContact O-N 3.34Å; E1162-C1164 VanDerWaalsContact C-N 3.34Å; E1162-K1165 WeakPolarHBondContact O-CB 3.49Å; E1162-K1165 PolarHBondContact O-N 3.2Å; E1162-K1165 VanDerWaalsContact O-N 3.17Å; E1162-T1166 PolarHBondContact O-N 3.43Å; E1162-T1166 PolarHBondContact O-OG1 2.74Å
1163I58.8Low53.9Low23 Ų2382.1 Ų82.112%0.11842%0.423CS..Hα-helixtrans-64.1-41.7172.2-69161.2000109.4Q1159 L1160 K1165 T1166 L1171 Y1172Q1159-I1163 HydrophobicContact CB-CD1 4.38Å; Q1159-I1163 VanDerWaalsContact O-CB 3.26Å; Q1159-I1163 WeakPolarHBondContact O-CB 3.24Å; Q1159-I1163 VanDerWaalsContact O-CD1 3.31Å; Q1159-I1163 WeakPolarHBondContact O-CD1 3.29Å; Q1159-I1163 WeakPolarHBondContact O-CG1 3.34Å; Q1159-I1163 PolarHBondContact O-N 3.15Å; L1160-I1163 PolarHBondContact O-N 3.28Å; I1163-K1165 VanDerWaalsContact C-N 3.29Å; I1163-K1165 PolarHBondContact O-N 2.74Å; I1163-T1166 CarbonylContact O-C 3.45Å; I1163-T1166 PolarHBondContact O-N 2.76Å; I1163-T1166 PolarHBondContact O-OG1 2.84Å; I1163-L1171 HydrophobicContact CD1-CB 4.44Å; I1163-L1171 HydrophobicContact CD1-CD2 3.8Å; I1163-L1171 HydrophobicContact CG1-CB 4.39Å; I1163-L1171 HydrophobicContact CG1-CD2 4.27Å; I1163-L1171 HydrophobicContact CG2-CB 4.36Å; I1163-Y1172 VanDerWaalsContact CG2-CA 3.43Å; I1163-Y1172 HydrophobicContact CG2-CD2 3.97Å; I1163-Y1172 HydrophobicContact CG2-CG 4.33Å; I1163-Y1172 WeakPolarHBondContact O-CD2 3.47Å
1164C51.7Low54.5Low54 Ų5486 Ų8637%0.36544%0.439SS..THydrogen-bonded Turntrans-70.7-17.9173.8-68.10000114.1L1160 E1162 T1166 Y1172L1160-C1164 VanDerWaalsContact O-CB 3.24Å; L1160-C1164 WeakPolarHBondContact O-CB 3.33Å; L1160-C1164 PolarHBondContact O-N 3.12Å; L1160-C1164 PolarHBondContact O-SG 3.4Å; E1162-C1164 VanDerWaalsContact C-N 3.34Å; C1164-T1166 VanDerWaalsContact C-N 3.27Å; C1164-Y1172 HydrophobicContact CB-CE2 4.22Å
1165K53.8Low55Low154 Ų15484.3 Ų84.367%0.6742%0.423SS*.THydrogen-bonded Turntrans-78.2-8.5165.6-73.3165.8-168175.90113.1M1161 E1162 I1163M1161-K1165 VanDerWaalsContact O-CG 3.23Å; M1161-K1165 WeakPolarHBondContact O-CG 3.36Å; M1161-K1165 PolarHBondContact O-N 2.92Å; E1162-K1165 WeakPolarHBondContact O-CB 3.49Å; E1162-K1165 PolarHBondContact O-N 3.2Å; E1162-K1165 VanDerWaalsContact O-N 3.17Å; I1163-K1165 VanDerWaalsContact C-N 3.29Å; I1163-K1165 PolarHBondContact O-N 2.74Å
1166T60.8Low55.3Low73 Ų7382.6 Ų82.645%0.44841%0.408SS..  trans-128.373-179.951.50000112.2E1162 I1163 C1164 D1168 S1169E1162-T1166 PolarHBondContact O-N 3.43Å; E1162-T1166 PolarHBondContact O-OG1 2.74Å; I1163-T1166 CarbonylContact O-C 3.45Å; I1163-T1166 PolarHBondContact O-N 2.76Å; I1163-T1166 PolarHBondContact O-OG1 2.84Å; C1164-T1166 VanDerWaalsContact C-N 3.27Å; T1166-D1168 PolarHBondContact O-N 3.2Å; T1166-S1169 WeakPolarHBondContact O-CB 3.48Å; T1166-S1169 PolarHBondContact O-N 3.11Å; T1166-S1169 PolarHBondContact O-OG 3.22Å
1167P54.9Low55.4Low54 Ų5484.3 Ų84.335%0.35142%0.416SS..THydrogen-bonded Turntrans-55.3-28.5-172.7-2836.6000115.6S1169 Y1172P1167-S1169 VanDerWaalsContact C-N 3.34Å; P1167-Y1172 VanDerWaalsContact O-CD1 3.25Å; P1167-Y1172 WeakPolarHBondContact O-CD1 3.32Å
1168D52.5Low55.5Low129 Ų12981.6 Ų81.669%0.6941%0.41SS*.THydrogen-bonded Turntrans-82.6-5.6-178.6-72.3-54.6000114.7T1166 R1173T1166-D1168 PolarHBondContact O-N 3.2Å; D1168-R1173 PolarHBondContact O-NH1 3.36Å; D1168-R1173 IonicContact OD1-NH2 3.59Å
1169S62.7Low55.4Low35 Ų3578.2 Ų78.225%0.24540%0.397CS..SBendtrans-71.1145.9-176.671.60000112.4T1166 P1167 L1171 Y1172 R1173T1166-S1169 WeakPolarHBondContact O-CB 3.48Å; T1166-S1169 PolarHBondContact O-N 3.11Å; T1166-S1169 PolarHBondContact O-OG 3.22Å; P1167-S1169 VanDerWaalsContact C-N 3.34Å; S1169-L1171 VanDerWaalsContact C-N 3.25Å; S1169-L1171 PolarHBondContact O-N 3.41Å; S1169-Y1172 WeakPolarHBondContact O-CB 3.32Å; S1169-Y1172 PolarHBondContact O-N 3.4Å; S1169-Y1172 WeakPolarHBondContact OG-CB 3.43Å; S1169-Y1172 PolarHBondContact OG-N 3.41Å; S1169-Y1172 VanDerWaalsContact OG-N 3.12Å; S1169-R1173 PolarHBondContact O-N 2.91Å; S1169-R1173 VanDerWaalsContact O-N 3.11Å
1170N58.8Low55.2Low130 Ų13074.2 Ų74.270%0.69538%0.378SS*.Hα-helixtrans-65.3-30.3175.2-74.5-17.4000112.1R1173 F1174N1170-R1173 PolarHBondContact O-N 3.1Å; N1170-F1174 WeakPolarHBondContact O-CB 3.48Å; N1170-F1174 PolarHBondContact O-N 3.39Å
1171L51.2Low55.1Low108 Ų10875 Ų7557%0.56539%0.387SS*.Hα-helixtrans-63.3-43.3171.8-105.279.6000111.4I1163 S1169 F1174 V1175I1163-L1171 HydrophobicContact CD1-CB 4.44Å; I1163-L1171 HydrophobicContact CD1-CD2 3.8Å; I1163-L1171 HydrophobicContact CG1-CB 4.39Å; I1163-L1171 HydrophobicContact CG1-CD2 4.27Å; I1163-L1171 HydrophobicContact CG2-CB 4.36Å; S1169-L1171 VanDerWaalsContact C-N 3.25Å; S1169-L1171 PolarHBondContact O-N 3.41Å; L1171-F1174 PolarHBondContact O-N 2.85Å; L1171-V1175 WeakPolarHBondContact O-CG2 3.42Å; L1171-V1175 PolarHBondContact O-N 3.42Å
1172Y61Low54.8Low3 Ų373.6 Ų73.61%0.01238%0.378CS..Hα-helixtrans-59.7-49175.5-175.9-90.9000111.2I1163 C1164 P1167 S1169 F1174 V1175 T1176 S1319 L1320I1163-Y1172 VanDerWaalsContact CG2-CA 3.43Å; I1163-Y1172 HydrophobicContact CG2-CD2 3.97Å; I1163-Y1172 HydrophobicContact CG2-CG 4.33Å; I1163-Y1172 WeakPolarHBondContact O-CD2 3.47Å; C1164-Y1172 HydrophobicContact CB-CE2 4.22Å; P1167-Y1172 VanDerWaalsContact O-CD1 3.25Å; P1167-Y1172 WeakPolarHBondContact O-CD1 3.32Å; S1169-Y1172 WeakPolarHBondContact O-CB 3.32Å; S1169-Y1172 PolarHBondContact O-N 3.4Å; S1169-Y1172 WeakPolarHBondContact OG-CB 3.43Å; S1169-Y1172 PolarHBondContact OG-N 3.41Å; S1169-Y1172 VanDerWaalsContact OG-N 3.12Å; Y1172-F1174 VanDerWaalsContact C-N 3.28Å; Y1172-F1174 PolarHBondContact O-N 3.12Å; Y1172-V1175 PolarHBondContact O-N 3.25Å; Y1172-T1176 HydrophobicContact CD1-CG2 4.05Å; Y1172-T1176 HydrophobicContact CD2-CG2 4.34Å; Y1172-T1176 HydrophobicContact CE1-CG2 3.82Å; Y1172-T1176 HydrophobicContact CE2-CG2 4.14Å; Y1172-T1176 HydrophobicContact CG-CG2 4.32Å; Y1172-T1176 WeakPolarHBondContact O-CB 3.4Å; Y1172-T1176 WeakPolarHBondContact O-CG2 3.36Å; Y1172-T1176 PolarHBondContact O-N 3Å; Y1172-T1176 PolarHBondContact O-OG1 2.91Å; Y1172-S1319 WeakPolarHBondContact CE1-OG 3.19Å; Y1172-S1319 PolarHBondContact OH-OG 2.87Å; Y1172-L1320 HydrophobicContact CE1-CD2 4.08Å; Y1172-L1320 HydrophobicContact CE2-CD2 4.34Å; Y1172-L1320 WeakPolarHBondContact OH-CD2 3.08Å; Y1172-L1320 VanDerWaalsContact OH-CG 3.24Å; Y1172-L1320 WeakPolarHBondContact OH-CG 3.44Å
1173R57.1Low54.2Low113 Ų11373.6 Ų73.643%0.42639%0.394SS..Hα-helixtrans-58.8-37.4175.2-66-170-176.288.913.1112.9D1168 S1169 N1170 T1176 H1177D1168-R1173 PolarHBondContact O-NH1 3.36Å; D1168-R1173 IonicContact OD1-NH2 3.59Å; S1169-R1173 PolarHBondContact O-N 2.91Å; S1169-R1173 VanDerWaalsContact O-N 3.11Å; N1170-R1173 PolarHBondContact O-N 3.1Å; R1173-T1176 WeakPolarHBondContact CA-OG1 3.33Å; R1173-T1176 PolarHBondContact O-OG1 2.71Å; R1173-H1177 WeakPolarHBondContact O-CB 3.22Å; R1173-H1177 PolarHBondContact O-N 2.82Å
1174F56.7Low53.3Low142 Ų14274.2 Ų74.262%0.62340%0.4SS*.Hα-helixtrans-69.5-49.8177.7175-99000112.9N1170 L1171 Y1172 T1176 H1177 T1178N1170-F1174 WeakPolarHBondContact O-CB 3.48Å; N1170-F1174 PolarHBondContact O-N 3.39Å; L1171-F1174 PolarHBondContact O-N 2.85Å; Y1172-F1174 VanDerWaalsContact C-N 3.28Å; Y1172-F1174 PolarHBondContact O-N 3.12Å; F1174-T1176 VanDerWaalsContact C-N 3.34Å; F1174-T1176 PolarHBondContact O-N 3.36Å; F1174-H1177 PolarHBondContact O-N 3.3Å; F1174-T1178 WeakPolarHBondContact O-CB 3.4Å; F1174-T1178 PolarHBondContact O-N 2.89Å; F1174-T1178 PolarHBondContact O-OG1 3.48Å
1175V56.9Low52.7Low28 Ų2873.4 Ų73.417%0.1740%0.395CS..Hα-helixtrans-59.7-46.3179.2167.90000110.6L1160 L1171 Y1172 T1178 L1179L1160-V1175 HydrophobicContact CD2-CG1 3.56Å; L1160-V1175 HydrophobicContact CD2-CG2 4.47Å; L1171-V1175 WeakPolarHBondContact O-CG2 3.42Å; L1171-V1175 PolarHBondContact O-N 3.42Å; Y1172-V1175 PolarHBondContact O-N 3.25Å; V1175-T1178 PolarHBondContact O-N 2.69Å; V1175-L1179 HydrophobicContact CG1-CD1 3.98Å; V1175-L1179 PolarHBondContact O-N 3.41Å
1176T53.9Low52Low10 Ų1072.9 Ų72.96%0.06140%0.399CS..Hα-helixtrans-69.1-42-17856.50000111.9Y1172 R1173 F1174 T1178 F1180 L1320Y1172-T1176 HydrophobicContact CD1-CG2 4.05Å; Y1172-T1176 HydrophobicContact CD2-CG2 4.34Å; Y1172-T1176 HydrophobicContact CE1-CG2 3.82Å; Y1172-T1176 HydrophobicContact CE2-CG2 4.14Å; Y1172-T1176 HydrophobicContact CG-CG2 4.32Å; Y1172-T1176 WeakPolarHBondContact O-CB 3.4Å; Y1172-T1176 WeakPolarHBondContact O-CG2 3.36Å; Y1172-T1176 PolarHBondContact O-N 3Å; Y1172-T1176 PolarHBondContact O-OG1 2.91Å; R1173-T1176 WeakPolarHBondContact CA-OG1 3.33Å; R1173-T1176 PolarHBondContact O-OG1 2.71Å; F1174-T1176 VanDerWaalsContact C-N 3.34Å; F1174-T1176 PolarHBondContact O-N 3.36Å; T1176-T1178 VanDerWaalsContact C-N 3.28Å; T1176-T1178 PolarHBondContact O-N 3.26Å; T1176-F1180 WeakPolarHBondContact O-CD2 3.41Å; T1176-F1180 PolarHBondContact O-N 3.28Å; T1176-F1180 VanDerWaalsContact O-N 3.12Å; T1176-L1320 HydrophobicContact CG2-CD2 3.16Å
1177H54Low50.6Low103 Ų10371.5 Ų71.548%0.47740%0.396SS..Hα-helixtrans-59.4-39.7170.5-175.7-82.8000112R1173 F1174 S1181R1173-H1177 WeakPolarHBondContact O-CB 3.22Å; R1173-H1177 PolarHBondContact O-N 2.82Å; F1174-H1177 PolarHBondContact O-N 3.3Å; H1177-S1181 PolarHBondContact CE1-OG 3.4Å; H1177-S1181 VanDerWaalsContact CE1-OG 3.27Å; H1177-S1181 PolarHBondContact ND1-OG 2.92Å; H1177-S1181 WeakPolarHBondContact O-CB 3.29Å; H1177-S1181 PolarHBondContact O-N 3.48Å; H1177-S1181 PolarHBondContact O-OG 3.02Å
1178T51Low49.8Very low60 Ų6071.9 Ų71.937%0.36840%0.399SS..Hα-helixtrans-70.2-44.5-178.4-57.20000112F1174 V1175 T1176 Q1182F1174-T1178 WeakPolarHBondContact O-CB 3.4Å; F1174-T1178 PolarHBondContact O-N 2.89Å; F1174-T1178 PolarHBondContact O-OG1 3.48Å; V1175-T1178 PolarHBondContact O-N 2.69Å; T1176-T1178 VanDerWaalsContact C-N 3.28Å; T1176-T1178 PolarHBondContact O-N 3.26Å; T1178-Q1182 WeakPolarHBondContact O-CG 3.24Å
1179L52.3Low49Very low60 Ų6068 Ų6831%0.31438%0.379SS..Hα-helixtrans-55.7-52.1173.2-81.7164.5000111.7V1175 S1181 L1257V1175-L1179 HydrophobicContact CG1-CD1 3.98Å; V1175-L1179 PolarHBondContact O-N 3.41Å; L1179-S1181 VanDerWaalsContact C-N 3.35Å; L1179-S1181 PolarHBondContact O-N 2.93Å; L1179-L1257 HydrophobicContact CD2-CD1 3.9Å; L1179-L1257 HydrophobicContact CD2-CD2 4.27Å
1180F48.6Very low47.7Very low32 Ų3272 Ų7214%0.1440%0.397CS..THydrogen-bonded Turntrans-90.37.4-172-62.9-61.4000114.7T1176 L1320 P1323 F1324 Y1327T1176-F1180 WeakPolarHBondContact O-CD2 3.41Å; T1176-F1180 PolarHBondContact O-N 3.28Å; T1176-F1180 VanDerWaalsContact O-N 3.12Å; F1180-L1320 HydrophobicContact CE2-CD2 4.4Å; F1180-P1323 HydrophobicContact CB-CB 3.9Å; F1180-P1323 WeakPolarHBondContact CB-O 3.01Å; F1180-P1323 HydrophobicContact CD2-CB 3.26Å; F1180-P1323 HydrophobicContact CD2-CG 4.49Å; F1180-P1323 HydrophobicContact CE2-CB 4.02Å; F1180-P1323 HydrophobicContact CG-CB 3.81Å; F1180-F1324 HydrophobicContact CE1-CB 4.31Å; F1180-F1324 AromaticContact CE1-CD2 3.76Å; F1180-F1324 HydrophobicContact CE1-CD2 3.76Å; F1180-F1324 HydrophobicContact CZ-CB 4.31Å; F1180-F1324 HydrophobicContact CZ-CD2 4.24Å; F1180-Y1327 HydrophobicContact CD1-CD1 4.5Å; F1180-Y1327 HydrophobicContact CD1-CD2 4.46Å; F1180-Y1327 HydrophobicContact CD1-CG 4.01Å
1181S49.6Very low46.4Very low47 Ų4768.5 Ų68.533%0.32938%0.378SS..THydrogen-bonded Turntrans-104.3-1.8170.8-62.60000114H1177 L1179H1177-S1181 PolarHBondContact CE1-OG 3.4Å; H1177-S1181 VanDerWaalsContact CE1-OG 3.27Å; H1177-S1181 PolarHBondContact ND1-OG 2.92Å; H1177-S1181 WeakPolarHBondContact O-CB 3.29Å; H1177-S1181 PolarHBondContact O-N 3.48Å; H1177-S1181 PolarHBondContact O-OG 3.02Å; L1179-S1181 VanDerWaalsContact C-N 3.35Å; L1179-S1181 PolarHBondContact O-N 2.93Å
1182Q48.5Very low45.7Very low96 Ų9670.4 Ų70.445%0.44938%0.378SS..SBendtrans-67.2137.6174-57.8-168.89.600110.2T1178T1178-Q1182 WeakPolarHBondContact O-CG 3.24Å
1183A43.6Very low44.5Very low92 Ų9273.6 Ų73.676%0.7640%0.395SS*.PPolyproline II helixtrans-80.2130.7176.500000110S1185A1183-S1185 PolarHBondContact O-N 3.44Å
1184C40.5Very low43.4Very low36 Ų3670.6 Ų70.624%0.24339%0.391CS..PPolyproline II helixtrans-57.6129.8171.8-64.90000110.2N1186 Y1327 S1331C1184-N1186 PolarHBondContact O-N 2.95Å; C1184-Y1327 PolarHBondContact SG-OH 3.14Å; C1184-S1331 WeakPolarHBondContact SG-CB 3.24Å
1185S38.5Very low42.3Very low36 Ų3667.5 Ų67.525%0.25238%0.381SS..PPolyproline II helixtrans-76.6119172.4140.90000108.7A1183 A1187 S1188A1183-S1185 PolarHBondContact O-N 3.44Å; S1185-A1187 PolarHBondContact O-N 3.1Å; S1185-A1187 PolarHBondContact OG-N 3.26Å; S1185-S1188 WeakPolarHBondContact CB-OG 3.32Å; S1185-S1188 WeakPolarHBondContact O-CB 3.48Å; S1185-S1188 PolarHBondContact O-N 3Å; S1185-S1188 PolarHBondContact OG-N 2.73Å; S1185-S1188 PolarHBondContact OG-OG 3.49Å
1186N38.1Very low41.3Very low143 Ų14369.3 Ų69.377%0.76539%0.393SS*.Hα-helixtrans-53.2-23.9175.6-67.4-9000113.3C1184 L1190C1184-N1186 PolarHBondContact O-N 2.95Å; N1186-L1190 WeakPolarHBondContact O-CB 3.41Å; N1186-L1190 PolarHBondContact O-N 3.21Å
1187A33.1Very low40.3Very low45 Ų4577.3 Ų77.337%0.37242%0.422SS..Hα-helixtrans-78.2-23.7177.100000113.1S1185 L1191S1185-A1187 PolarHBondContact O-N 3.1Å; S1185-A1187 PolarHBondContact OG-N 3.26Å; A1187-L1191 WeakPolarHBondContact O-CG 3.18Å; A1187-L1191 PolarHBondContact O-N 3.34Å
1188S36.3Very low39.2Very low61 Ų6175 Ų7543%0.42741%0.412SS..Hα-helixtrans-76.8-47.1-179.4-520000110.9S1185 L1190 L1191 Y1192S1185-S1188 WeakPolarHBondContact CB-OG 3.32Å; S1185-S1188 WeakPolarHBondContact O-CB 3.48Å; S1185-S1188 PolarHBondContact O-N 3Å; S1185-S1188 PolarHBondContact OG-N 2.73Å; S1185-S1188 PolarHBondContact OG-OG 3.49Å; S1188-L1190 VanDerWaalsContact C-N 3.34Å; S1188-L1190 PolarHBondContact O-N 2.89Å; S1188-L1191 PolarHBondContact O-N 3.48Å; S1188-Y1192 PolarHBondContact O-N 3.22Å
1189D37.6Very low38.4Very low48 Ų4875.6 Ų75.626%0.25742%0.416SS..Hα-helixtrans-57.2-46.9171.6-67.1-80.8000110.9L1191 Y1192 D1193 S1333D1189-L1191 VanDerWaalsContact C-N 3.32Å; D1189-L1191 PolarHBondContact O-N 3.43Å; D1189-Y1192 WeakPolarHBondContact O-CB 3.16Å; D1189-Y1192 PolarHBondContact O-N 3.34Å; D1189-Y1192 VanDerWaalsContact O-N 3.1Å; D1189-D1193 PolarHBondContact O-N 3.05Å; D1189-S1333 WeakPolarHBondContact OD1-CB 3.38Å; D1189-S1333 PolarHBondContact OD1-OG 3.43Å
1190L34Very low37.5Very low120 Ų12074.5 Ų74.563%0.62841%0.413SS*.Hα-helixtrans-61.6-35.4-178.1-152.695.9000113.4N1186 S1188 C1194N1186-L1190 WeakPolarHBondContact O-CB 3.41Å; N1186-L1190 PolarHBondContact O-N 3.21Å; S1188-L1190 VanDerWaalsContact C-N 3.34Å; S1188-L1190 PolarHBondContact O-N 2.89Å; L1190-C1194 PolarHBondContact O-N 3.26Å; L1190-C1194 PolarHBondContact O-SG 2.85Å
1191L31.9Very low36.7Very low56 Ų5675.3 Ų75.329%0.29342%0.421SS..Hα-helixtrans-76.3-25.4177.5-80.3167.5000113A1187 S1188 D1189 N1195A1187-L1191 WeakPolarHBondContact O-CG 3.18Å; A1187-L1191 PolarHBondContact O-N 3.34Å; S1188-L1191 PolarHBondContact O-N 3.48Å; D1189-L1191 VanDerWaalsContact C-N 3.32Å; D1189-L1191 PolarHBondContact O-N 3.43Å; L1191-N1195 PolarHBondContact O-N 2.76Å
1192Y37.2Very low35.8Very low148 Ų14880 Ų8058%0.5844%0.438SS*.Hα-helixtrans-69.1-47.4175.5-158.9-95.7000110.8S1188 D1189 C1194 N1195 T1196S1188-Y1192 PolarHBondContact O-N 3.22Å; D1189-Y1192 WeakPolarHBondContact O-CB 3.16Å; D1189-Y1192 PolarHBondContact O-N 3.34Å; D1189-Y1192 VanDerWaalsContact O-N 3.1Å; Y1192-C1194 VanDerWaalsContact C-N 3.27Å; Y1192-C1194 PolarHBondContact O-N 2.78Å; Y1192-N1195 PolarHBondContact O-N 3.48Å; Y1192-N1195 VanDerWaalsContact O-N 3.09Å; Y1192-T1196 PolarHBondContact O-N 3.31Å
1193D35.9Very low35.1Very low69 Ų6980.6 Ų80.637%0.36944%0.44SS..Hα-helixtrans-61.7-32174.8-78.5-22.8000112.6D1189 N1195 T1196 W1197D1189-D1193 PolarHBondContact O-N 3.05Å; D1193-N1195 VanDerWaalsContact C-N 3.32Å; D1193-N1195 PolarHBondContact O-N 2.94Å; D1193-T1196 PolarHBondContact O-OG1 3.38Å; D1193-W1197 PolarHBondContact O-N 2.96Å; D1193-W1197 VanDerWaalsContact O-N 3.16Å
1194C33.4Very low34.5Very low50 Ų5080.4 Ų80.434%0.33843%0.426SS..Hα-helixtrans-67-28.6175.1-69.70000113.6L1190 Y1192 I1198L1190-C1194 PolarHBondContact O-N 3.26Å; L1190-C1194 PolarHBondContact O-SG 2.85Å; Y1192-C1194 VanDerWaalsContact C-N 3.27Å; Y1192-C1194 PolarHBondContact O-N 2.78Å; C1194-I1198 WeakPolarHBondContact O-CG1 3.22Å
1195N33.8Very low34.1Very low78 Ų7883.5 Ų83.542%0.41744%0.439SS..Hα-helixtrans-77.8-38179.2-97.6-34.7000112.4L1191 Y1192 D1193 T1199 R1238L1191-N1195 PolarHBondContact O-N 2.76Å; Y1192-N1195 PolarHBondContact O-N 3.48Å; Y1192-N1195 VanDerWaalsContact O-N 3.09Å; D1193-N1195 VanDerWaalsContact C-N 3.32Å; D1193-N1195 PolarHBondContact O-N 2.94Å; N1195-T1199 PolarHBondContact O-OG1 3.21Å; N1195-R1238 PolarHBondContact OD1-NH1 3.16Å; N1195-R1238 PolarHBondContact OD1-NH2 2.87Å
1196T36Very low33.9Very low66 Ų6686 Ų8641%0.40546%0.456SS..Hα-helixtrans-67.5-39174.753.70000110.9Y1192 D1193 I1198 T1199 S1200Y1192-T1196 PolarHBondContact O-N 3.31Å; D1193-T1196 PolarHBondContact O-OG1 3.38Å; T1196-I1198 PolarHBondContact O-N 3.1Å; T1196-T1199 PolarHBondContact O-N 2.79Å; T1196-T1199 PolarHBondContact O-OG1 2.8Å; T1196-T1199 VanDerWaalsContact O-OG1 3.07Å; T1196-S1200 PolarHBondContact O-N 2.98Å; T1196-S1200 VanDerWaalsContact O-N 3.11Å; T1196-S1200 PolarHBondContact O-OG 3.02Å
1197W32.3Very low33.7Very low177 Ų17786.2 Ų86.267%0.6745%0.453SS*.Hα-helixtrans-57.7-42.6177.3-132.662.2000113.3D1193 T1199 S1200 V1201D1193-W1197 PolarHBondContact O-N 2.96Å; D1193-W1197 VanDerWaalsContact O-N 3.16Å; W1197-T1199 PolarHBondContact O-N 3.34Å; W1197-S1200 PolarHBondContact O-N 3.26Å; W1197-S1200 PolarHBondContact O-OG 3.28Å; W1197-S1200 VanDerWaalsContact O-OG 3.09Å; W1197-V1201 HydrophobicContact CD2-CG2 4.17Å; W1197-V1201 HydrophobicContact CE3-CG2 4.09Å; W1197-V1201 HydrophobicContact CZ3-CG2 4.48Å; W1197-V1201 WeakPolarHBondContact O-CB 3.29Å; W1197-V1201 WeakPolarHBondContact O-CG2 3.24Å; W1197-V1201 PolarHBondContact O-N 3.09Å
1198I31.9Very low33.6Very low55 Ų5587.1 Ų87.128%0.28245%0.451SS..Hα-helixtrans-66.7-37.9-177.8-67.1168000111.6C1194 T1196 Q1202 F1234C1194-I1198 WeakPolarHBondContact O-CG1 3.22Å; T1196-I1198 PolarHBondContact O-N 3.1Å; I1198-Q1202 WeakPolarHBondContact O-CB 3.26Å; I1198-Q1202 WeakPolarHBondContact O-CG 3.38Å; I1198-Q1202 PolarHBondContact O-N 3.38Å; I1198-F1234 HydrophobicContact CD1-CE1 4.21Å
1199T34Very low33.5Very low73 Ų7389.7 Ų89.745%0.44846%0.46SS..Hα-helixtrans-76.2-29.8179.441.40000113.5N1195 T1196 W1197N1195-T1199 PolarHBondContact O-OG1 3.21Å; T1196-T1199 PolarHBondContact O-N 2.79Å; T1196-T1199 PolarHBondContact O-OG1 2.8Å; T1196-T1199 VanDerWaalsContact O-OG1 3.07Å; W1197-T1199 PolarHBondContact O-N 3.34Å
1200S31.9Very low33.3Very low37 Ų3790 Ų9026%0.25947%0.474SS..Hα-helixtrans-73.5-45.6168.559.40000111.5T1196 W1197 Q1202 H1203 D1204T1196-S1200 PolarHBondContact O-N 2.98Å; T1196-S1200 VanDerWaalsContact O-N 3.11Å; T1196-S1200 PolarHBondContact O-OG 3.02Å; W1197-S1200 PolarHBondContact O-N 3.26Å; W1197-S1200 PolarHBondContact O-OG 3.28Å; W1197-S1200 VanDerWaalsContact O-OG 3.09Å; S1200-Q1202 VanDerWaalsContact C-N 3.32Å; S1200-Q1202 PolarHBondContact O-N 2.99Å; S1200-H1203 CarbonylContact O-C 3.56Å; S1200-H1203 WeakPolarHBondContact O-CA 3.44Å; S1200-H1203 WeakPolarHBondContact O-CB 3.43Å; S1200-H1203 PolarHBondContact O-N 3.05Å; S1200-D1204 PolarHBondContact O-N 3.1Å
1201V31.6Very low33.4Very low49 Ų4987.5 Ų87.530%0.29747%0.467SS..Hα-helixtrans-62.5-35.4-179.2169.90000112.2W1197 H1203 I1205W1197-V1201 HydrophobicContact CD2-CG2 4.17Å; W1197-V1201 HydrophobicContact CE3-CG2 4.09Å; W1197-V1201 HydrophobicContact CZ3-CG2 4.48Å; W1197-V1201 WeakPolarHBondContact O-CB 3.29Å; W1197-V1201 WeakPolarHBondContact O-CG2 3.24Å; W1197-V1201 PolarHBondContact O-N 3.09Å; V1201-H1203 VanDerWaalsContact C-N 3.27Å; V1201-H1203 PolarHBondContact O-N 3.42Å; V1201-I1205 HydrophobicContact CG1-CD1 3.44Å; V1201-I1205 VanDerWaalsContact CG1-CD1 3.44Å; V1201-I1205 HydrophobicContact CG1-CG1 4.01Å; V1201-I1205 VanDerWaalsContact O-CB 3.27Å; V1201-I1205 WeakPolarHBondContact O-CB 3.21Å; V1201-I1205 WeakPolarHBondContact O-CG1 3.2Å; V1201-I1205 PolarHBondContact O-N 2.86Å
1202Q31.1Very low33.3Very low146 Ų14690.5 Ų90.568%0.68248%0.478SS*.Hα-helixtrans-63.7-29.5170.6-82.1-173.3-45.500113.8I1198 S1200I1198-Q1202 WeakPolarHBondContact O-CB 3.26Å; I1198-Q1202 WeakPolarHBondContact O-CG 3.38Å; I1198-Q1202 PolarHBondContact O-N 3.38Å; S1200-Q1202 VanDerWaalsContact C-N 3.32Å; S1200-Q1202 PolarHBondContact O-N 2.99Å
1203H33.8Very low33.1Very low108 Ų10886.9 Ų86.950%0.547%0.468SS..Hα-helixtrans-85.6-38.1178.6-154.7-69.1000111.7S1200 V1201 S1206S1200-H1203 CarbonylContact O-C 3.56Å; S1200-H1203 WeakPolarHBondContact O-CA 3.44Å; S1200-H1203 WeakPolarHBondContact O-CB 3.43Å; S1200-H1203 PolarHBondContact O-N 3.05Å; V1201-H1203 VanDerWaalsContact C-N 3.27Å; V1201-H1203 PolarHBondContact O-N 3.42Å; H1203-S1206 PolarHBondContact O-N 3.23Å; H1203-S1206 PolarHBondContact O-OG 2.9Å
1204D31.9Very low33.1Very low87 Ų8787.1 Ų87.147%0.46548%0.475SS..Hα-helixtrans-76.9-34.3-178.4-64-32.8000112.5S1200 S1206 Q1207 I1208S1200-D1204 PolarHBondContact O-N 3.1Å; D1204-S1206 PolarHBondContact O-N 2.86Å; D1204-S1206 VanDerWaalsContact O-N 3.11Å; D1204-Q1207 PolarHBondContact O-N 3.19Å; D1204-I1208 WeakPolarHBondContact O-CG1 3.31Å; D1204-I1208 PolarHBondContact O-N 3.1Å; D1204-I1208 VanDerWaalsContact O-N 3.13Å
1205I32.7Very low33.1Very low102 Ų10291.4 Ų91.452%0.52349%0.49SS..THydrogen-bonded Turntrans-59.4-23.2171.7-73.4174000111.8V1201 Q1207V1201-I1205 HydrophobicContact CG1-CD1 3.44Å; V1201-I1205 VanDerWaalsContact CG1-CD1 3.44Å; V1201-I1205 HydrophobicContact CG1-CG1 4.01Å; V1201-I1205 VanDerWaalsContact O-CB 3.27Å; V1201-I1205 WeakPolarHBondContact O-CB 3.21Å; V1201-I1205 WeakPolarHBondContact O-CG1 3.2Å; V1201-I1205 PolarHBondContact O-N 2.86Å; I1205-Q1207 VanDerWaalsContact C-N 3.32Å; I1205-Q1207 PolarHBondContact O-N 2.92Å
1206S33.8Very low33.1Very low87 Ų8794 Ų9461%0.60850%0.503SS*.THydrogen-bonded Turntrans-79-9175.680.80000114.9H1203 D1204H1203-S1206 PolarHBondContact O-N 3.23Å; H1203-S1206 PolarHBondContact O-OG 2.9Å; D1204-S1206 PolarHBondContact O-N 2.86Å; D1204-S1206 VanDerWaalsContact O-N 3.11Å
1207Q33.4Very low32.8Very low149 Ų14996.9 Ų96.970%0.69652%0.516SS*.THydrogen-bonded Turntrans-128.11.7-178.4-60.5-161.29.900114.6D1204 I1205 D1209D1204-Q1207 PolarHBondContact O-N 3.19Å; I1205-Q1207 VanDerWaalsContact C-N 3.32Å; I1205-Q1207 PolarHBondContact O-N 2.92Å; Q1207-D1209 PolarHBondContact O-N 3.36Å
1208I32.1Very low32.7Very low64 Ų6493 Ų9333%0.32851%0.511SS..SBendtrans-76.4114.4172.5-71.5163.9000109.5D1204 G1210 F1212 L1213D1204-I1208 WeakPolarHBondContact O-CG1 3.31Å; D1204-I1208 PolarHBondContact O-N 3.1Å; D1204-I1208 VanDerWaalsContact O-N 3.13Å; I1208-G1210 PolarHBondContact O-N 3.08Å; I1208-F1212 HydrophobicContact CG2-CB 3.97Å; I1208-F1212 HydrophobicContact CG2-CD1 4.05Å; I1208-L1213 HydrophobicContact CG2-CD1 4.2Å; I1208-L1213 HydrophobicContact CG2-CG 4.17Å
1209D33.6Very low32.6Very low115 Ų11599.2 Ų99.262%0.61554%0.537SS*.  trans-52.7134.6169.7176.440.3000110.9Q1207 S1211 F1212Q1207-D1209 PolarHBondContact O-N 3.36Å; D1209-S1211 PolarHBondContact O-N 3.48Å; D1209-S1211 WeakPolarHBondContact OD2-CB 3.48Å; D1209-S1211 PolarHBondContact OD2-OG 3.38Å; D1209-F1212 PolarHBondContact O-N 2.9Å
1210G32.6Very low32.3Very low53 Ų53103.5 Ų103.555%0.54656%0.557SS.*Hα-helixtrans-61.2-17.4-16800000114.4I1208 F1212 S1214I1208-G1210 PolarHBondContact O-N 3.08Å; G1210-F1212 VanDerWaalsContact C-N 3.34Å; G1210-F1212 PolarHBondContact O-N 3.26Å; G1210-S1214 PolarHBondContact O-N 3.1Å
1211S35.9Very low32.1Very low69 Ų69107 Ų10748%0.48358%0.58SS.*Hα-helixtrans-63.1-34.5173.567.30000113.5D1209D1209-S1211 PolarHBondContact O-N 3.48Å; D1209-S1211 WeakPolarHBondContact OD2-CB 3.48Å; D1209-S1211 PolarHBondContact OD2-OG 3.38Å
1212F31.3Very low31.9Very low118 Ų118114.8 Ų114.852%0.51861%0.61SS.*Hα-helixtrans-81.7-37.7-175.2-170.3-107.3000112.6I1208 D1209 G1210 S1214 Q1215 L1216I1208-F1212 HydrophobicContact CG2-CB 3.97Å; I1208-F1212 HydrophobicContact CG2-CD1 4.05Å; D1209-F1212 PolarHBondContact O-N 2.9Å; G1210-F1212 VanDerWaalsContact C-N 3.34Å; G1210-F1212 PolarHBondContact O-N 3.26Å; F1212-S1214 VanDerWaalsContact C-N 3.26Å; F1212-S1214 PolarHBondContact O-N 3.38Å; F1212-Q1215 PolarHBondContact O-N 3.26Å; F1212-L1216 PolarHBondContact O-N 3.37Å
1213L31.5Very low31.7Very low72 Ų72115.9 Ų115.938%0.37762%0.617SS.*Hα-helixtrans-60.5-36.6172.7-98.8159.5000111.8I1208 Q1215 L1216 L1217I1208-L1213 HydrophobicContact CG2-CD1 4.2Å; I1208-L1213 HydrophobicContact CG2-CG 4.17Å; L1213-Q1215 VanDerWaalsContact C-N 3.25Å; L1213-Q1215 PolarHBondContact O-N 3.42Å; L1213-L1216 PolarHBondContact O-N 3.2Å; L1213-L1217 WeakPolarHBondContact O-CG 3.37Å; L1213-L1217 PolarHBondContact O-N 2.79Å
1214S35.7Very low31.6Very low75 Ų75120.4 Ų120.452%0.52464%0.639SS.*Hα-helixtrans-65.4-23.1174.5-171.50000114G1210 F1212 T1218G1210-S1214 PolarHBondContact O-N 3.1Å; F1212-S1214 VanDerWaalsContact C-N 3.26Å; F1212-S1214 PolarHBondContact O-N 3.38Å; S1214-T1218 WeakPolarHBondContact O-CG2 3.45Å; S1214-T1218 PolarHBondContact O-OG1 3.35Å
1215Q34.7Very low31.6Very low140 Ų140120.9 Ų120.965%0.65464%0.641SS**Hα-helixtrans-90.1-25.4177.8-69.1-173.50.400113F1212 L1213 T1218F1212-Q1215 PolarHBondContact O-N 3.26Å; L1213-Q1215 VanDerWaalsContact C-N 3.25Å; L1213-Q1215 PolarHBondContact O-N 3.42Å; Q1215-T1218 PolarHBondContact O-OG1 3.42Å
1216L32.5Very low31.9Very low132 Ų132119.9 Ų119.969%0.69164%0.637SS**Hα-helixtrans-76.4-26.7175-14477.8000112.4F1212 L1213F1212-L1216 PolarHBondContact O-N 3.37Å; L1213-L1216 PolarHBondContact O-N 3.2Å
1217L30.9Very low32Very low127 Ų127120.7 Ų120.767%0.66564%0.64SS**THydrogen-bonded Turntrans-87.92.1-178.6-69.1168.9000114.7L1213L1213-L1217 WeakPolarHBondContact O-CG 3.37Å; L1213-L1217 PolarHBondContact O-N 2.79Å
1218T30.5Very low32.4Very low94 Ų94117.4 Ų117.458%0.57763%0.628SS**  trans-107.335.3-178.647.50000113.7S1214 Q1215S1214-T1218 WeakPolarHBondContact O-CG2 3.45Å; S1214-T1218 PolarHBondContact O-OG1 3.35Å; Q1215-T1218 PolarHBondContact O-OG1 3.42Å
1219K29Very low32.8Very low187 Ų187121 Ų12181%0.81364%0.637SS**SBendtrans-131.774171.2-80.7-167.9173.1-177.30112.5C1221K1219-C1221 PolarHBondContact O-N 2.94Å
1220D28Very low33Very low162 Ų162119.5 Ų119.587%0.86663%0.632SS**SBendtrans24.865.2142.5-57.5-26.2000118.4
1221C27.5Very low33.4Very low111 Ų111121.2 Ų121.275%0.7563%0.628SS**SBendtrans-166.1141.1141.7-99.80000110.7K1219K1219-C1221 PolarHBondContact O-N 2.94Å
1222F28.3Very low33.7Very low212 Ų212124.1 Ų124.193%0.9363%0.632SS**  trans72.565.7-178.1-63.8-79.2000117.9
1223M26.7Very low34.1Very low169 Ų169122.1 Ų122.183%0.83363%0.627SS**  trans-98.2115.5154.8-75.9-77174.800110
1224Q31.7Very low34.5Very low203 Ų203123.8 Ų123.895%0.94963%0.631SS**SBendtrans174-13.7136.8-100.3-17916.700116.5
1225D31Very low34.8Very low97 Ų97123.9 Ų123.952%0.51963%0.625SS.*SBendtrans-105.8144-179.4-112.1-44.8000113.5R1229 V1230D1225-R1229 VanDerWaalsContact OD1-CD 3.24Å; D1225-R1229 WeakPolarHBondContact OD1-CD 3.36Å; D1225-R1229 IonicContact OD1-CZ 2.92Å; D1225-R1229 IonicContact OD1-NE 3.25Å; D1225-R1229 IonicContact OD1-NH1 2.92Å; D1225-R1229 PolarHBondContact OD1-NH1 2.73Å; D1225-R1229 IonicContact OD2-NH1 3.96Å; D1225-V1230 HydrophobicContact CB-CG2 4.37Å
1226D40.3Very low35.1Very low81 Ų81123.4 Ų123.443%0.43362%0.621SS.*  trans-56.7129.4-178.7169.4-8.8000112.1N1228 R1229 V1230D1226-N1228 VanDerWaalsContact C-N 3.28Å; D1226-N1228 PolarHBondContact O-N 3.32Å; D1226-N1228 WeakPolarHBondContact OD1-CB 3.49Å; D1226-N1228 PolarHBondContact OD1-N 2.8Å; D1226-R1229 HydrophobicContact CB-CB 3.86Å; D1226-R1229 CarbonylContact O-C 3.59Å; D1226-R1229 WeakPolarHBondContact O-CA 3.19Å; D1226-R1229 WeakPolarHBondContact O-CB 3.19Å; D1226-R1229 PolarHBondContact O-N 2.62Å; D1226-V1230 PolarHBondContact O-N 2.77Å
1227P35.2Very low35.5Very low104 Ų104120.8 Ų120.868%0.67561%0.611SS**Hα-helixtrans-59.5-31.8-177.920.7-30.3000114.1R1229 V1230 L1231P1227-R1229 VanDerWaalsContact C-N 3.3Å; P1227-V1230 PolarHBondContact O-N 2.93Å; P1227-L1231 WeakPolarHBondContact O-CB 3.39Å; P1227-L1231 PolarHBondContact O-N 3.35Å
1228N40.6Very low35.9Very low81 Ų81118.6 Ų118.643%0.43359%0.593SS.*Hα-helixtrans-69.2-32.4173.3-79.2-23.8000111.3D1226 F1232 E2010D1226-N1228 VanDerWaalsContact C-N 3.28Å; D1226-N1228 PolarHBondContact O-N 3.32Å; D1226-N1228 WeakPolarHBondContact OD1-CB 3.49Å; D1226-N1228 PolarHBondContact OD1-N 2.8Å; N1228-F1232 VanDerWaalsContact O-CB 3.29Å; N1228-F1232 WeakPolarHBondContact O-CB 3.36Å; N1228-F1232 PolarHBondContact O-N 2.72Å; N1228-E2010 PolarHBondContact ND2-OE2 2.99Å
1229R40.7Very low36.4Very low139 Ų139124.1 Ų124.153%0.52560%0.604SS.*Hα-helixtrans-73.1-35.5174-154.7-173.2-166.9-153.83.3112.3D1225 D1226 P1227 N1233D1225-R1229 VanDerWaalsContact OD1-CD 3.24Å; D1225-R1229 WeakPolarHBondContact OD1-CD 3.36Å; D1225-R1229 IonicContact OD1-CZ 2.92Å; D1225-R1229 IonicContact OD1-NE 3.25Å; D1225-R1229 IonicContact OD1-NH1 2.92Å; D1225-R1229 PolarHBondContact OD1-NH1 2.73Å; D1225-R1229 IonicContact OD2-NH1 3.96Å; D1226-R1229 HydrophobicContact CB-CB 3.86Å; D1226-R1229 CarbonylContact O-C 3.59Å; D1226-R1229 WeakPolarHBondContact O-CA 3.19Å; D1226-R1229 WeakPolarHBondContact O-CB 3.19Å; D1226-R1229 PolarHBondContact O-N 2.62Å; P1227-R1229 VanDerWaalsContact C-N 3.3Å; R1229-N1233 WeakPolarHBondContact O-CB 3.43Å; R1229-N1233 VanDerWaalsContact O-CG 3.31Å; R1229-N1233 PolarHBondContact O-N 2.94Å; R1229-N1233 PolarHBondContact O-ND2 2.86Å
1230V38.4Very low36.9Very low84 Ų84122 Ų12251%0.50960%0.595SS.*Hα-helixtrans-64.3-46.9170.9176.80000110.3D1225 D1226 P1227 F1232 N1233 F1234D1225-V1230 HydrophobicContact CB-CG2 4.37Å; D1226-V1230 PolarHBondContact O-N 2.77Å; P1227-V1230 PolarHBondContact O-N 2.93Å; V1230-F1232 PolarHBondContact O-N 2.92Å; V1230-N1233 PolarHBondContact O-N 3.45Å; V1230-F1234 VanDerWaalsContact O-CB 3.32Å; V1230-F1234 WeakPolarHBondContact O-CB 3.36Å; V1230-F1234 PolarHBondContact O-N 3.26Å
1231L40.7Very low37.5Very low88 Ų88118 Ų11846%0.46157%0.573SS.*Hα-helixtrans-62.9-41.4176.1-175.262.5000112P1227 F1234 L1235P1227-L1231 WeakPolarHBondContact O-CB 3.39Å; P1227-L1231 PolarHBondContact O-N 3.35Å; L1231-F1234 PolarHBondContact O-N 3.37Å; L1231-L1235 HydrophobicContact CG-CD1 4.26Å; L1231-L1235 WeakPolarHBondContact O-CB 3.49Å; L1231-L1235 WeakPolarHBondContact O-CG 3.31Å; L1231-L1235 PolarHBondContact O-N 3.41Å
1232F41.9Very low38.1Very low131 Ų131115 Ų11558%0.57555%0.551SS**Hα-helixtrans-63.2-44.6175.3-174.4-96.8000112.2N1228 V1230 L1235 K1236N1228-F1232 VanDerWaalsContact O-CB 3.29Å; N1228-F1232 WeakPolarHBondContact O-CB 3.36Å; N1228-F1232 PolarHBondContact O-N 2.72Å; V1230-F1232 PolarHBondContact O-N 2.92Å; F1232-L1235 PolarHBondContact O-N 2.94Å; F1232-K1236 HydrophobicContact CE1-CD 4.33Å; F1232-K1236 VanDerWaalsContact O-CB 3.28Å; F1232-K1236 WeakPolarHBondContact O-CB 3.38Å; F1232-K1236 PolarHBondContact O-N 3.42Å
1233N40Very low38.7Very low75 Ų75109.9 Ų109.940%0.40153%0.53SS..Hα-helixtrans-67.4-35175.6-75.6-20.6000112.2R1229 V1230 K1236 T1237R1229-N1233 WeakPolarHBondContact O-CB 3.43Å; R1229-N1233 VanDerWaalsContact O-CG 3.31Å; R1229-N1233 PolarHBondContact O-N 2.94Å; R1229-N1233 PolarHBondContact O-ND2 2.86Å; V1230-N1233 PolarHBondContact O-N 3.45Å; N1233-K1236 PolarHBondContact O-N 3.46Å; N1233-T1237 VanDerWaalsContact O-CB 3.29Å; N1233-T1237 WeakPolarHBondContact O-CB 3.36Å; N1233-T1237 PolarHBondContact O-N 3.43Å; N1233-T1237 PolarHBondContact O-OG1 3.38Å
1234F40.9Very low39.2Very low107 Ų107105.5 Ų105.547%0.46951%0.509SS..Hα-helixtrans-64.6-46.6173.1-175.5-96.9000111.2I1198 V1230 L1231 K1236 T1237 R1238I1198-F1234 HydrophobicContact CD1-CE1 4.21Å; V1230-F1234 VanDerWaalsContact O-CB 3.32Å; V1230-F1234 WeakPolarHBondContact O-CB 3.36Å; V1230-F1234 PolarHBondContact O-N 3.26Å; L1231-F1234 PolarHBondContact O-N 3.37Å; F1234-K1236 PolarHBondContact O-N 3.44Å; F1234-T1237 PolarHBondContact O-N 3.4Å; F1234-R1238 WeakPolarHBondContact O-CB 3.26Å; F1234-R1238 PolarHBondContact O-N 2.91Å
1235L41.5Very low39.4Very low77 Ų7798 Ų9840%0.40348%0.477SS..Hα-helixtrans-64.6-36.6175.6-71.4171.4000112.7L1231 F1232 R1239L1231-L1235 HydrophobicContact CG-CD1 4.26Å; L1231-L1235 WeakPolarHBondContact O-CB 3.49Å; L1231-L1235 WeakPolarHBondContact O-CG 3.31Å; L1231-L1235 PolarHBondContact O-N 3.41Å; F1232-L1235 PolarHBondContact O-N 2.94Å; L1235-R1239 WeakPolarHBondContact O-CB 3.48Å; L1235-R1239 PolarHBondContact O-N 3.37Å
1236K41Very low39.7Very low131 Ų13198 Ų9857%0.5747%0.474SS*.Hα-helixtrans-69-41.3175.6-164.4174-175.9-179.60111.9F1232 N1233 F1234 R1239 F1240F1232-K1236 HydrophobicContact CE1-CD 4.33Å; F1232-K1236 VanDerWaalsContact O-CB 3.28Å; F1232-K1236 WeakPolarHBondContact O-CB 3.38Å; F1232-K1236 PolarHBondContact O-N 3.42Å; N1233-K1236 PolarHBondContact O-N 3.46Å; F1234-K1236 PolarHBondContact O-N 3.44Å; K1236-R1239 PolarHBondContact O-N 3.41Å; K1236-F1240 WeakPolarHBondContact O-CB 3.42Å; K1236-F1240 PolarHBondContact O-N 3.23Å
1237T40.6Very low39.4Very low76 Ų7696 Ų9647%0.46646%0.464SS..Hα-helixtrans-69.6-41.1176.1-53.80000111.3N1233 F1234 F1240 I1241N1233-T1237 VanDerWaalsContact O-CB 3.29Å; N1233-T1237 WeakPolarHBondContact O-CB 3.36Å; N1233-T1237 PolarHBondContact O-N 3.43Å; N1233-T1237 PolarHBondContact O-OG1 3.38Å; F1234-T1237 PolarHBondContact O-N 3.4Å; T1237-F1240 WeakPolarHBondContact O-CB 3.46Å; T1237-F1240 PolarHBondContact O-N 2.94Å; T1237-I1241 HydrophobicContact CG2-CD1 3.92Å; T1237-I1241 HydrophobicContact CG2-CG1 4.43Å; T1237-I1241 WeakPolarHBondContact O-CG1 3.41Å; T1237-I1241 PolarHBondContact O-N 3.38Å
1238R39.8Very low39.3Very low81 Ų8194.3 Ų94.331%0.30646%0.455SS..Hα-helixtrans-55.6-53170.3171.4-179.2152.3160.20.8111.2N1195 F1234 F1240 I1241 T1242N1195-R1238 PolarHBondContact OD1-NH1 3.16Å; N1195-R1238 PolarHBondContact OD1-NH2 2.87Å; F1234-R1238 WeakPolarHBondContact O-CB 3.26Å; F1234-R1238 PolarHBondContact O-N 2.91Å; R1238-F1240 VanDerWaalsContact C-N 3.26Å; R1238-F1240 PolarHBondContact O-N 2.75Å; R1238-I1241 PolarHBondContact O-N 2.81Å; R1238-T1242 WeakPolarHBondContact O-CB 3.48Å; R1238-T1242 PolarHBondContact O-N 2.79Å; R1238-T1242 PolarHBondContact O-OG1 3.18Å; R1238-T1242 VanDerWaalsContact O-OG1 3.08Å
1239R41.3Very low38.7Very low210 Ų21096.3 Ų96.379%0.79246%0.46SS*.Hα-helixtrans-55.3-41.2174.9-92.9-176.4162.4171.9-5.2112.2L1235 K1236 H1243L1235-R1239 WeakPolarHBondContact O-CB 3.48Å; L1235-R1239 PolarHBondContact O-N 3.37Å; K1236-R1239 PolarHBondContact O-N 3.41Å; R1239-H1243 VanDerWaalsContact O-CB 3.22Å; R1239-H1243 WeakPolarHBondContact O-CB 3.47Å; R1239-H1243 PolarHBondContact O-N 2.82Å
1240F39.3Very low38.4Very low142 Ų14293.4 Ų93.462%0.62345%0.454SS*.Hα-helixtrans-67-42.7178.4-168.4-111.5000113K1236 T1237 R1238 I1244K1236-F1240 WeakPolarHBondContact O-CB 3.42Å; K1236-F1240 PolarHBondContact O-N 3.23Å; T1237-F1240 WeakPolarHBondContact O-CB 3.46Å; T1237-F1240 PolarHBondContact O-N 2.94Å; R1238-F1240 VanDerWaalsContact C-N 3.26Å; R1238-F1240 PolarHBondContact O-N 2.75Å; F1240-I1244 HydrophobicContact CD1-CD1 3.73Å; F1240-I1244 HydrophobicContact CE1-CD1 3.46Å; F1240-I1244 VanDerWaalsContact CE1-CD1 3.46Å; F1240-I1244 HydrophobicContact CE2-CD1 4.41Å; F1240-I1244 HydrophobicContact CG-CD1 4.32Å; F1240-I1244 HydrophobicContact CZ-CD1 3.84Å; F1240-I1244 VanDerWaalsContact O-CG1 3.31Å; F1240-I1244 WeakPolarHBondContact O-CG1 3.25Å; F1240-I1244 PolarHBondContact O-N 2.86Å
1241I39.2Very low38.2Very low80 Ų8092.2 Ų92.241%0.4145%0.454SS..Hα-helixtrans-69.6-46.4177.9-68.2170.6000111.1T1237 R1238 H1243 I1244 V1245T1237-I1241 HydrophobicContact CG2-CD1 3.92Å; T1237-I1241 HydrophobicContact CG2-CG1 4.43Å; T1237-I1241 WeakPolarHBondContact O-CG1 3.41Å; T1237-I1241 PolarHBondContact O-N 3.38Å; R1238-I1241 PolarHBondContact O-N 2.81Å; I1241-H1243 VanDerWaalsContact C-N 3.3Å; I1241-H1243 PolarHBondContact O-N 3.41Å; I1241-I1244 PolarHBondContact O-N 3.18Å; I1241-I1244 VanDerWaalsContact O-N 3.16Å; I1241-V1245 HydrophobicContact CG2-CG2 4.41Å; I1241-V1245 WeakPolarHBondContact O-CG2 3.24Å; I1241-V1245 PolarHBondContact O-N 2.99Å
1242T40.3Very low37.7Very low48 Ų4896.2 Ų96.229%0.29447%0.469SS..Hα-helixtrans-54.6-48.3174.4-62.20000110.3R1238 I1244 V1245 E1246R1238-T1242 WeakPolarHBondContact O-CB 3.48Å; R1238-T1242 PolarHBondContact O-N 2.79Å; R1238-T1242 PolarHBondContact O-OG1 3.18Å; R1238-T1242 VanDerWaalsContact O-OG1 3.08Å; T1242-I1244 PolarHBondContact O-N 3.45Å; T1242-V1245 PolarHBondContact O-N 3.39Å; T1242-E1246 HydrophobicContact CG2-CG 4.36Å; T1242-E1246 VanDerWaalsContact CG2-OE1 3.23Å; T1242-E1246 WeakPolarHBondContact CG2-OE1 3.44Å; T1242-E1246 WeakPolarHBondContact O-CB 2.96Å; T1242-E1246 VanDerWaalsContact O-CG 3.26Å; T1242-E1246 WeakPolarHBondContact O-CG 3.1Å; T1242-E1246 PolarHBondContact O-N 3Å
1243H40.6Very low37Very low104 Ų10494 Ų9448%0.48147%0.47SS..Hα-helixtrans-64.2-34.8178.1-163.856.4000113.8R1239 I1241 E1246 T1247R1239-H1243 VanDerWaalsContact O-CB 3.22Å; R1239-H1243 WeakPolarHBondContact O-CB 3.47Å; R1239-H1243 PolarHBondContact O-N 2.82Å; I1241-H1243 VanDerWaalsContact C-N 3.3Å; I1241-H1243 PolarHBondContact O-N 3.41Å; H1243-E1246 IonicContact ND1-OE2 3.3Å; H1243-T1247 WeakPolarHBondContact O-CB 3.15Å; H1243-T1247 VanDerWaalsContact O-CG2 3.28Å; H1243-T1247 WeakPolarHBondContact O-CG2 3.3Å; H1243-T1247 PolarHBondContact O-N 2.77Å; H1243-T1247 PolarHBondContact O-OG1 3.05Å
1244I38.3Very low36.5Very low76 Ų7692.5 Ų92.539%0.3947%0.473SS..Hα-helixtrans-68.7-41174.1-74.4168.7000111.5F1240 I1241 T1242 T1247 S1248F1240-I1244 HydrophobicContact CD1-CD1 3.73Å; F1240-I1244 HydrophobicContact CE1-CD1 3.46Å; F1240-I1244 VanDerWaalsContact CE1-CD1 3.46Å; F1240-I1244 HydrophobicContact CE2-CD1 4.41Å; F1240-I1244 HydrophobicContact CG-CD1 4.32Å; F1240-I1244 HydrophobicContact CZ-CD1 3.84Å; F1240-I1244 VanDerWaalsContact O-CG1 3.31Å; F1240-I1244 WeakPolarHBondContact O-CG1 3.25Å; F1240-I1244 PolarHBondContact O-N 2.86Å; I1241-I1244 PolarHBondContact O-N 3.18Å; I1241-I1244 VanDerWaalsContact O-N 3.16Å; T1242-I1244 PolarHBondContact O-N 3.45Å; I1244-T1247 WeakPolarHBondContact CA-OG1 3.22Å; I1244-T1247 PolarHBondContact O-OG1 2.79Å; I1244-S1248 VanDerWaalsContact O-CB 3.32Å; I1244-S1248 WeakPolarHBondContact O-CB 3.14Å; I1244-S1248 PolarHBondContact O-N 3.35Å; I1244-S1248 PolarHBondContact O-OG 3.08Å
1245V36.3Very low36.2Very low45 Ų4589.2 Ų89.227%0.27346%0.461SS..Hα-helixtrans-68.9-44.4178.5174.80000110.8I1241 T1242 S1248 F1249I1241-V1245 HydrophobicContact CG2-CG2 4.41Å; I1241-V1245 WeakPolarHBondContact O-CG2 3.24Å; I1241-V1245 PolarHBondContact O-N 2.99Å; T1242-V1245 PolarHBondContact O-N 3.39Å; V1245-S1248 PolarHBondContact O-N 3.3Å; V1245-F1249 PolarHBondContact O-N 3.43Å
1246E37.6Very low35.7Very low99 Ų9990.9 Ų90.946%0.46347%0.47SS..Hα-helixtrans-56-53.4172.5-72.8165.6171.400111.2T1242 H1243 S1248 F1249 I1250T1242-E1246 HydrophobicContact CG2-CG 4.36Å; T1242-E1246 VanDerWaalsContact CG2-OE1 3.23Å; T1242-E1246 WeakPolarHBondContact CG2-OE1 3.44Å; T1242-E1246 WeakPolarHBondContact O-CB 2.96Å; T1242-E1246 VanDerWaalsContact O-CG 3.26Å; T1242-E1246 WeakPolarHBondContact O-CG 3.1Å; T1242-E1246 PolarHBondContact O-N 3Å; H1243-E1246 IonicContact ND1-OE2 3.3Å; E1246-S1248 VanDerWaalsContact C-N 3.27Å; E1246-S1248 PolarHBondContact O-N 3.43Å; E1246-F1249 PolarHBondContact O-N 3.22Å; E1246-I1250 WeakPolarHBondContact O-CD1 3.44Å; E1246-I1250 VanDerWaalsContact O-CG1 3.25Å; E1246-I1250 WeakPolarHBondContact O-CG1 3.13Å; E1246-I1250 PolarHBondContact O-N 3.4Å
1247T34Very low35.2Very low37 Ų3789.1 Ų89.123%0.22747%0.466CS..Hα-helixtrans-65.7-27-179.551.50000113.7S1144 H1243 I1244S1144-T1247 WeakPolarHBondContact OG-CG2 3.37Å; H1243-T1247 WeakPolarHBondContact O-CB 3.15Å; H1243-T1247 VanDerWaalsContact O-CG2 3.28Å; H1243-T1247 WeakPolarHBondContact O-CG2 3.3Å; H1243-T1247 PolarHBondContact O-N 2.77Å; H1243-T1247 PolarHBondContact O-OG1 3.05Å; I1244-T1247 WeakPolarHBondContact CA-OG1 3.22Å; I1244-T1247 PolarHBondContact O-OG1 2.79Å
1248S32.1Very low34.8Very low70 Ų7092 Ų9249%0.4948%0.475SS..Hα-helixtrans-75-32.5174.1-580000113.1I1244 V1245 E1246I1244-S1248 VanDerWaalsContact O-CB 3.32Å; I1244-S1248 WeakPolarHBondContact O-CB 3.14Å; I1244-S1248 PolarHBondContact O-N 3.35Å; I1244-S1248 PolarHBondContact O-OG 3.08Å; V1245-S1248 PolarHBondContact O-N 3.3Å; E1246-S1248 VanDerWaalsContact C-N 3.27Å; E1246-S1248 PolarHBondContact O-N 3.43Å
1249F28.6Very low34.2Very low122 Ų12292.6 Ų92.654%0.53549%0.491SS..Hα-helixtrans-79.4-36.3175.9-106.9-94.3000112.7V1245 E1246 A1251 H1252V1245-F1249 PolarHBondContact O-N 3.43Å; E1246-F1249 PolarHBondContact O-N 3.22Å; F1249-A1251 PolarHBondContact O-N 3.01Å; F1249-H1252 PolarHBondContact O-N 2.91Å
1250I33.5Very low33.7Very low78 Ų7886.2 Ų86.240%0.448%0.477SS..Hα-helixtrans-56.8-33175.6-71.4163.7000111.5E1246 H1252E1246-I1250 WeakPolarHBondContact O-CD1 3.44Å; E1246-I1250 VanDerWaalsContact O-CG1 3.25Å; E1246-I1250 WeakPolarHBondContact O-CG1 3.13Å; E1246-I1250 PolarHBondContact O-N 3.4Å; I1250-H1252 VanDerWaalsContact C-N 3.26Å; I1250-H1252 PolarHBondContact O-N 3.41Å
1251A34.1Very low33.2Very low60 Ų6083.9 Ų83.950%0.49647%0.474SS..Hα-helixtrans-67-13-177.300000115.9F1249F1249-A1251 PolarHBondContact O-N 3.01Å
1252H30Very low32.8Very low171 Ų17183.6 Ų83.679%0.79247%0.473SS*.Hα-helixtrans-119.8-10.4-171-93.1-50.2000117.2F1249 I1250F1249-H1252 PolarHBondContact O-N 2.91Å; I1250-H1252 VanDerWaalsContact C-N 3.26Å; I1250-H1252 PolarHBondContact O-N 3.41Å
1253S28.6Very low32.2Very low84 Ų8482.8 Ų82.859%0.58747%0.468SS*.Hα-helixtrans-142.1-4-172.6-60.30000117.6V1255S1253-V1255 PolarHBondContact O-N 3.49Å
1254G28.5Very low31.7Very low45 Ų4580.4 Ų80.446%0.46446%0.462SS..SBendtrans66.6-12.8164.900000118.4
1255V34.7Very low31.3Very low37 Ų3780 Ų8022%0.22446%0.463CS..SBendtrans-131.6132.1174.6179.90000108.9F1156 S1253 L1257F1156-V1255 HydrophobicContact CD1-CB 4.28Å; F1156-V1255 HydrophobicContact CD1-CG1 3.73Å; F1156-V1255 HydrophobicContact CD1-CG2 3.93Å; F1156-V1255 HydrophobicContact CE1-CB 4.16Å; F1156-V1255 HydrophobicContact CE1-CG1 3.82Å; F1156-V1255 HydrophobicContact CE1-CG2 4.11Å; F1156-V1255 HydrophobicContact CG-CG2 4.22Å; S1253-V1255 PolarHBondContact O-N 3.49Å; V1255-L1257 PolarHBondContact O-N 3.36Å
1256L31.6Very low31Very low112 Ų11284.4 Ų84.459%0.58648%0.483SS*.  trans-74.292.1172.4-159.787.6000109.4E1258L1256-E1258 HydrophobicContact CD2-CG 3.76Å; L1256-E1258 HydrophobicContact CG-CG 4.11Å
1257L31.1Very low30.5Very low94 Ų9487 Ų8749%0.49250%0.496SS..  trans-91.990.7160.4-84.2155.6000107.1F1156 L1179 V1255F1156-L1257 HydrophobicContact CE1-CD1 4.12Å; L1179-L1257 HydrophobicContact CD2-CD1 3.9Å; L1179-L1257 HydrophobicContact CD2-CD2 4.27Å; V1255-L1257 PolarHBondContact O-N 3.36Å
1258E30.5Very low30.2Very low137 Ų13795.7 Ų95.764%0.6452%0.524SS*.PPolyproline II helixtrans-55.9140.3168.7-66.3-172.3164.700109.5L1256L1256-E1258 HydrophobicContact CD2-CG 3.76Å; L1256-E1258 HydrophobicContact CG-CG 4.11Å
1259S28.8Very low30Very low93 Ų9396.9 Ų96.965%0.6553%0.53SS*.PPolyproline II helixtrans-57.7122.3165.8-62.90000107.2T1261S1259-T1261 PolarHBondContact O-N 2.96Å
1260P29.7Very low29.8Very low77 Ų77101 Ų10150%0.554%0.543SS..PPolyproline II helixtrans-57.2128.7-173.822-33000109.2L1262P1260-L1262 VanDerWaalsContact C-N 3.35Å; P1260-L1262 HydrophobicContact CB-CD2 4.36Å; P1260-L1262 HydrophobicContact CG-CD2 4.16Å; P1260-L1262 WeakPolarHBondContact O-CG 3.18Å; P1260-L1262 PolarHBondContact O-N 3.32Å
1261T29.6Very low29.5Very low92 Ų92102.3 Ų102.356%0.56455%0.548SS*.  trans-64.896.9178.4-56.60000108.1S1259 V1263S1259-T1261 PolarHBondContact O-N 2.96Å; T1261-V1263 VanDerWaalsContact C-N 3.28Å; T1261-V1263 HydrophobicContact CG2-CG2 3.83Å; T1261-V1263 PolarHBondContact O-N 2.96Å
1262L30Very low29.1Very low74 Ų74105 Ų10539%0.38756%0.558SS.*  trans-75.279.7-172.4-66.7-174.1000110.9P1260 L1306 F1324P1260-L1262 VanDerWaalsContact C-N 3.35Å; P1260-L1262 HydrophobicContact CB-CD2 4.36Å; P1260-L1262 HydrophobicContact CG-CD2 4.16Å; P1260-L1262 WeakPolarHBondContact O-CG 3.18Å; P1260-L1262 PolarHBondContact O-N 3.32Å; L1262-L1306 HydrophobicContact CD2-CD2 3.59Å; L1262-F1324 HydrophobicContact CD1-CE2 4.49Å; L1262-F1324 HydrophobicContact CD1-CZ 4.31Å; L1262-F1324 HydrophobicContact CD2-CE2 4.4Å; L1262-F1324 HydrophobicContact CD2-CZ 4.26Å
1263V29Very low28.8Very low32 Ų32101 Ų10119%0.19455%0.55CS..  trans-86.3123.3177.8-175.50000110.4T1261 L1307 T1353T1261-V1263 VanDerWaalsContact C-N 3.28Å; T1261-V1263 HydrophobicContact CG2-CG2 3.83Å; T1261-V1263 PolarHBondContact O-N 2.96Å; V1263-L1307 HydrophobicContact CB-CB 4.16Å; V1263-L1307 HydrophobicContact CB-CD1 3.64Å; V1263-L1307 HydrophobicContact CB-CG 4.36Å; V1263-L1307 HydrophobicContact CG1-CD1 3.39Å; V1263-T1353 HydrophobicContact CG1-CG2 3.21Å; V1263-T1353 WeakPolarHBondContact CG1-OG1 3.45Å
1264P30.1Very low28.5Very low54 Ų54108.6 Ų108.635%0.35157%0.566SS.*  trans-76.1132.4-176.728.8-33.7000112.8T1353P1264-T1353 PolarHBondContact O-OG1 3.18Å
1265V29.2Very low28.3Very low67 Ų67114.8 Ų114.841%0.40658%0.58SS.*  trans-115.6117.6173.2-178.70000110.4L1307V1265-L1307 HydrophobicContact CG2-CD1 3.39Å; V1265-L1307 HydrophobicContact CG2-CD2 3.71Å; V1265-L1307 HydrophobicContact CG2-CG 3.49Å; V1265-L1307 VanDerWaalsContact CG2-CG 3.49Å
1266I28.9Very low27.8Very low137 Ų137119 Ų11970%0.70361%0.611SS**  trans-99.8108.7162.7-60.3176.2000107.8
1267H28.1Very low27.5Very low155 Ų155122.1 Ų122.172%0.71862%0.623SS**  trans-104.394.3168.2-152.6-75.9000110.2P1269H1267-P1269 VanDerWaalsContact O-CD 3.31Å; H1267-P1269 WeakPolarHBondContact O-CD 3.44Å
1268R26.6Very low27.3Very low219 Ų219123 Ų12383%0.82664%0.636SS**  trans-88.1110158.7-93.9-163.6179.9-1693.2108.4Y1270R1268-Y1270 PolarHBondContact O-N 3.46Å
1269P27.8Very low27.1Very low95 Ų95121.4 Ų121.462%0.61763%0.627SS**  trans-80.7101.516932-30000108.8H1267H1267-P1269 VanDerWaalsContact O-CD 3.31Å; H1267-P1269 WeakPolarHBondContact O-CD 3.44Å
1270Y26Very low27.1Very low207 Ų207121 Ų12181%0.81262%0.616SS**  trans-150.8107.7154.8-112.7-76.4000113.4R1268R1268-Y1270 PolarHBondContact O-N 3.46Å
1271Q27Very low27.2Very low107 Ų107121 Ų12150%0.561%0.611SS.*  trans69.7100.9154.3-75.2168.5-16.200120.6
1272T24.6Very low27.3Very low115 Ų115121.2 Ų121.271%0.70661%0.609SS**  23.9103.4104.261.10000116.6
1273S24.4Very low27.3Very low88 Ų88120.1 Ų120.162%0.61560%0.603SS**  17973123.857.60000111.7
1274W22.5Very low27.4Very low243 Ų243122.9 Ų122.992%0.9262%0.617SS**SBendtrans-159.276.7158.4-987.7000109.7
1275F24.8Very low27.2Very low176 Ų176128.1 Ų128.177%0.77264%0.641SS**  172.487.1119.8-103.2-76.5000110.7
1276S24.1Very low27.2Very low125 Ų125130.5 Ų130.587%0.87466%0.66SS**  trans-122.952.8161500000110.4
1277Q24.9Very low27.1Very low178 Ų178131.8 Ų131.883%0.83267%0.668SS**  trans-163.170.5158.9-114.4172.81700113.7
1278S27.7Very low27.1Very low111 Ų111130.8 Ų130.878%0.77667%0.672SS**  -157.7122.7124.7-3.10000109.5
1279K26.3Very low27.1Very low104 Ų104128 Ų12845%0.45267%0.674SS.*  trans-77150.8-177.6-77.8157.6170.1167.60112.4D1934K1279-D1934 IonicContact NZ-OD1 2.72Å; K1279-D1934 PolarHBondContact NZ-OD1 3.37Å; K1279-D1934 IonicContact NZ-OD2 3.85Å; K1279-D1934 PolarHBondContact NZ-OD2 3.19Å
1280Q28.3Very low27.1Very low86 Ų86129.1 Ų129.140%0.40268%0.675SS.*  trans79.9118.6130.4-76174.8-88.100122.4S1933Q1280-S1933 PolarHBondContact NE2-O 3.29Å; Q1280-S1933 PolarHBondContact NE2-OG 3.35Å; Q1280-S1933 PolarHBondContact OE1-O 2.79Å; Q1280-S1933 PolarHBondContact OE1-OG 3.24Å
1281D31.2Very low27.2Very low76 Ų76127 Ų12741%0.40668%0.677SS.*  82.9123.9120.9-61-9.2000118.2R1932D1281-R1932 WeakPolarHBondContact OD1-CD 3.42Å; D1281-R1932 IonicContact OD1-CZ 3.64Å; D1281-R1932 IonicContact OD1-NE 2.79Å; D1281-R1932 IonicContact OD1-NH1 3.44Å; D1281-R1932 PolarHBondContact OD1-NH1 3.23Å
1282N31.9Very low27.4Very low97 Ų97130.4 Ų130.452%0.51969%0.693SS.*  cis-148.2133.620.3-89-46.6000114.3
1283N29.7Very low27.6Very low50 Ų50128.8 Ų128.827%0.26768%0.68SS.*  45.5145.6120-46.7-21.8000121.2R1931 R1932N1283-R1931 PolarHBondContact ND2-NH1 3.2Å; N1283-R1931 VanDerWaalsContact ND2-NH1 3.12Å; N1283-R1932 PolarHBondContact OD1-NH1 3.18Å
1284D31.6Very low27.8Very low90 Ų90128 Ų12848%0.48168%0.679SS.*  cis-139.3149.918.5-69.8-77.9000112.2R1931 K1977D1284-R1931 IonicContact OD1-CZ 3.86Å; D1284-R1931 IonicContact OD1-NH1 2.73Å; D1284-R1931 PolarHBondContact OD1-NH1 3.45Å; D1284-R1931 IonicContact OD1-NH2 3.22Å; D1284-R1931 PolarHBondContact OD1-NH2 3.13Å; D1284-K1977 IonicContact OD2-NZ 2.67Å; D1284-K1977 PolarHBondContact OD2-NZ 2.89Å
1285L25.3Very low28Very low165 Ų165124.7 Ų124.786%0.86467%0.674SS**  trans-144.3149.5160.2-125.5171.9000108.6
1286C29.4Very low28.3Very low117 Ų117122.7 Ų122.779%0.79167%0.665SS**  trans-78.7144.7-166.6-48.70000113.4
1287D26.3Very low28.5Very low164 Ų164124.2 Ų124.288%0.87765%0.652SS**  trans-65.4136.9175.8-71.9-65.3000113.6
1288V28.4Very low28.8Very low134 Ų134122.1 Ų122.181%0.81265%0.646SS**  trans-136.7136.4155.4178.70000108.8D1290V1288-D1290 PolarHBondContact O-N 3.31Å
1289N26.8Very low29.1Very low161 Ų161126 Ų12686%0.86164%0.644SS**  trans-43127.1-178-69.9-56.5000115.6
1290D28.9Very low29.3Very low118 Ų118122.4 Ų122.463%0.63163%0.63SS**  trans-127.926.9176.6-141-13.8000114.3V1288 N1293V1288-D1290 PolarHBondContact O-N 3.31Å; D1290-N1293 PolarHBondContact OD1-ND2 3.12Å
1291N27.9Very low29.6Very low162 Ų162122.9 Ų122.987%0.86664%0.643SS**SBendtrans-98.83.1178.3-101.6-6000114.8
1292Q29.7Very low29.9Very low179 Ų179121.8 Ų121.884%0.83664%0.644SS**SBendtrans-93.8-16.6172.5-74.1-173.1-11.900113.6
1293N28.7Very low30.1Very low81 Ų81117.9 Ų117.943%0.43363%0.625SS.*Hα-helixtrans-75.6-31.7-173.4-81.3-42.2000113.7D1290 E1295 F1296D1290-N1293 PolarHBondContact OD1-ND2 3.12Å; N1293-E1295 PolarHBondContact O-N 2.96Å; N1293-F1296 WeakPolarHBondContact O-CB 3.44Å; N1293-F1296 PolarHBondContact O-N 3.37Å
1294A28.5Very low30.7Very low72 Ų72117.7 Ų117.760%0.59563%0.627SS**Hα-helixtrans-67.2-31.9-173.800000114.6
1295E28.5Very low31.1Very low173 Ų173116 Ų11681%0.80862%0.619SS**Hα-helixtrans-84.7-13.3179-140.5171.8-132.400112.6N1293N1293-E1295 PolarHBondContact O-N 2.96Å
1296F29.8Very low32Very low134 Ų134109.8 Ų109.859%0.58859%0.587SS**Hα-helixtrans-71.7-44.5172.5-157.5-121.6000110.7N1293 D1298 R1299 L1300N1293-F1296 WeakPolarHBondContact O-CB 3.44Å; N1293-F1296 PolarHBondContact O-N 3.37Å; F1296-D1298 VanDerWaalsContact C-N 3.35Å; F1296-D1298 PolarHBondContact O-N 3.26Å; F1296-R1299 PolarHBondContact O-N 3.33Å; F1296-L1300 HydrophobicContact CD1-CD1 3.36Å; F1296-L1300 HydrophobicContact CE1-CD1 3.74Å; F1296-L1300 HydrophobicContact CG-CD1 4.04Å; F1296-L1300 WeakPolarHBondContact O-CD1 3.34Å
1297W29.3Very low32.5Very low156 Ų156105.7 Ų105.759%0.59156%0.557SS**G310 helixtrans-65.6-23.3-170.4-70108.6000116L1300W1297-L1300 HydrophobicContact CD2-CD1 4.05Å; W1297-L1300 HydrophobicContact CE3-CB 4.35Å; W1297-L1300 HydrophobicContact CE3-CD1 3.69Å; W1297-L1300 HydrophobicContact CE3-CD2 4.08Å; W1297-L1300 HydrophobicContact CE3-CG 4.26Å; W1297-L1300 HydrophobicContact CZ3-CD1 4.05Å; W1297-L1300 HydrophobicContact CZ3-CD2 3.9Å; W1297-L1300 WeakPolarHBondContact O-CB 3.4Å; W1297-L1300 PolarHBondContact O-N 3.13Å
1298D31.5Very low33.3Very low134 Ų134100.4 Ų100.472%0.71753%0.529SS*.G310 helixtrans-82.1-20.6176.8-80.5-40000113.6F1296 L1300F1296-D1298 VanDerWaalsContact C-N 3.35Å; F1296-D1298 PolarHBondContact O-N 3.26Å; D1298-L1300 PolarHBondContact O-N 3.46Å
1299R32.6Very low33.7Very low193 Ų193102.7 Ų102.773%0.72853%0.531SS*.G310 helixtrans-83.36.5168.6-64.4-174.3-178.2-164.5-2.1112.8F1296F1296-R1299 PolarHBondContact O-N 3.33Å
1300L31.8Very low34.2Very low29 Ų29100.7 Ų100.715%0.15252%0.52CS..  trans-1037.3-161.7-124144.2000113.5F1296 W1297 D1298 R1315F1296-L1300 HydrophobicContact CD1-CD1 3.36Å; F1296-L1300 HydrophobicContact CE1-CD1 3.74Å; F1296-L1300 HydrophobicContact CG-CD1 4.04Å; F1296-L1300 WeakPolarHBondContact O-CD1 3.34Å; W1297-L1300 HydrophobicContact CD2-CD1 4.05Å; W1297-L1300 HydrophobicContact CE3-CB 4.35Å; W1297-L1300 HydrophobicContact CE3-CD1 3.69Å; W1297-L1300 HydrophobicContact CE3-CD2 4.08Å; W1297-L1300 HydrophobicContact CE3-CG 4.26Å; W1297-L1300 HydrophobicContact CZ3-CD1 4.05Å; W1297-L1300 HydrophobicContact CZ3-CD2 3.9Å; W1297-L1300 WeakPolarHBondContact O-CB 3.4Å; W1297-L1300 PolarHBondContact O-N 3.13Å; D1298-L1300 PolarHBondContact O-N 3.46Å; L1300-R1315 VanDerWaalsContact CD2-CZ 3.46Å; L1300-R1315 PolarHBondContact O-NH1 3.49Å; L1300-R1315 PolarHBondContact O-NH2 2.88Å
1301S34.8Very low34.6Very low96 Ų9697.3 Ų97.367%0.67151%0.513SS*.SBendtrans-81.6-17.6-168.454.70000117.7
1302A36.2Very low35Very low53 Ų5394.7 Ų94.744%0.43850%0.498SS..SBendtrans-119.10.4-16300000117.6
1303A37Very low35.6Very low15 Ų1589.9 Ų89.912%0.12448%0.482CS..SBendtrans-115139.1-17800000112.8V1305 R1315 H1321A1303-V1305 PolarHBondContact O-N 2.94Å; A1303-R1315 PolarHBondContact O-NH2 3.33Å; A1303-H1321 VanDerWaalsContact CB-CE1 3.43Å; A1303-H1321 WeakPolarHBondContact CB-CE1 3.17Å
1304P41.4Very low36.3Very low45 Ų4589.4 Ų89.429%0.29248%0.482SS..  trans-59.5136.8-178.320-30.2000112.8L1316P1304-L1316 HydrophobicContact CB-CD1 4.14Å; P1304-L1316 HydrophobicContact CG-CB 4.21Å; P1304-L1316 HydrophobicContact CG-CD1 3.91Å; P1304-L1316 PolarHBondContact O-N 2.83Å; P1304-L1316 VanDerWaalsContact O-N 3.14Å
1305V40.9Very low37.1Very low55 Ų5589.7 Ų89.733%0.33347%0.468SS..EExtended strand (participates in β ladder)trans-113.4124.3-177.8-179.90000108.3A1303 P1313A1303-V1305 PolarHBondContact O-N 2.94Å; V1305-P1313 HydrophobicContact CG1-CB 3.59Å
1306L43.3Very low38Very low34 Ų3482 Ų8218%0.17843%0.433CS..EExtended strand (participates in β ladder)trans-94.4168.4169.3-53.2-177.5000108.9L1262 P1313 V1314 L1316L1262-L1306 HydrophobicContact CD2-CD2 3.59Å; L1306-P1313 WeakPolarHBondContact O-CA 3.44Å; L1306-V1314 PolarHBondContact N-O 2.92Å; L1306-V1314 PolarHBondContact O-N 3.23Å; L1306-L1316 HydrophobicContact CD1-CD1 4.29Å; L1306-L1316 HydrophobicContact CD1-CD2 4Å; L1306-L1316 HydrophobicContact CD1-CG 3.97Å; L1306-L1316 HydrophobicContact CD2-CD1 4.23Å; L1306-L1316 HydrophobicContact CG-CD1 4.26Å; L1306-L1316 HydrophobicContact CG-CG 4.13Å
1307L39.3Very low38.9Very low31 Ų3178.1 Ų78.116%0.16242%0.421CS..EExtended strand (participates in β ladder)trans-110.4146.3163.1-69.9168.7000109.3V1263 V1265 G1311 L1312 P1313V1263-L1307 HydrophobicContact CB-CB 4.16Å; V1263-L1307 HydrophobicContact CB-CD1 3.64Å; V1263-L1307 HydrophobicContact CB-CG 4.36Å; V1263-L1307 HydrophobicContact CG1-CD1 3.39Å; V1265-L1307 HydrophobicContact CG2-CD1 3.39Å; V1265-L1307 HydrophobicContact CG2-CD2 3.71Å; V1265-L1307 HydrophobicContact CG2-CG 3.49Å; V1265-L1307 VanDerWaalsContact CG2-CG 3.49Å; L1307-G1311 WeakPolarHBondContact CD2-O 3.44Å; L1307-L1312 WeakPolarHBondContact CA-O 3.47Å; L1307-P1313 HydrophobicContact CD2-CB 4.3Å
1308D44.5Very low39.7Very low53 Ų5376 Ų7628%0.28342%0.421SS..  trans-79.7178.816879.1-8.3000112N1310 G1311 L1312 V1314D1308-N1310 PolarHBondContact O-N 3.42Å; D1308-N1310 VanDerWaalsContact O-N 3.13Å; D1308-N1310 WeakPolarHBondContact OD1-CA 3.34Å; D1308-N1310 WeakPolarHBondContact OD1-CB 3.17Å; D1308-N1310 PolarHBondContact OD1-N 3.45Å; D1308-N1310 PolarHBondContact OD2-ND2 2.82Å; D1308-G1311 PolarHBondContact O-N 2.92Å; D1308-G1311 PolarHBondContact OD1-N 3.47Å; D1308-L1312 PolarHBondContact N-O 3.44Å; D1308-L1312 WeakPolarHBondContact OD1-CB 3.38Å; D1308-L1312 PolarHBondContact OD1-N 2.89Å; D1308-V1314 HydrophobicContact CB-CG2 4.08Å
1309E37.1Very low40.4Very low183 Ų18371.8 Ų71.886%0.85540%0.402SS*.THydrogen-bonded Turntrans-59-18.7176.565-164.9160.300114.4
1310N36.1Very low41.3Very low118 Ų11863.6 Ų63.663%0.63137%0.372SS*.THydrogen-bonded Turntrans-97.9-3.1178.9-56-72.9000113D1308D1308-N1310 PolarHBondContact O-N 3.42Å; D1308-N1310 VanDerWaalsContact O-N 3.13Å; D1308-N1310 WeakPolarHBondContact OD1-CA 3.34Å; D1308-N1310 WeakPolarHBondContact OD1-CB 3.17Å; D1308-N1310 PolarHBondContact OD1-N 3.45Å; D1308-N1310 PolarHBondContact OD2-ND2 2.82Å
1311G37.1Very low42.2Very low47 Ų4763 Ų6349%0.48537%0.369SS..SBendtrans7924.3-175.300000114.4L1307 D1308L1307-G1311 WeakPolarHBondContact CD2-O 3.44Å; D1308-G1311 PolarHBondContact O-N 2.92Å; D1308-G1311 PolarHBondContact OD1-N 3.47Å
1312L37.9Very low42.8Very low107 Ų10759.3 Ų59.356%0.5634%0.342SS*.  trans-94.1139.1172.9-65.1172.4000111.6L1307 D1308 V1314L1307-L1312 WeakPolarHBondContact CA-O 3.47Å; D1308-L1312 PolarHBondContact N-O 3.44Å; D1308-L1312 WeakPolarHBondContact OD1-CB 3.38Å; D1308-L1312 PolarHBondContact OD1-N 2.89Å; L1312-V1314 PolarHBondContact O-N 3.01Å
1313P41.5Very low43.3Very low78 Ų7858 Ų5851%0.50633%0.328SS..EExtended strand (participates in β ladder)trans-73.3126.2-178.528-33.7000112.9V1305 L1306 L1307V1305-P1313 HydrophobicContact CG1-CB 3.59Å; L1306-P1313 WeakPolarHBondContact O-CA 3.44Å; L1307-P1313 HydrophobicContact CD2-CB 4.3Å
1314V43.2Very low43.9Very low71 Ų7158.6 Ų58.643%0.4333%0.328SS..EExtended strand (participates in β ladder)trans-121.9133.8179.3-178.20000109.6L1306 D1308 L1312L1306-V1314 PolarHBondContact N-O 2.92Å; L1306-V1314 PolarHBondContact O-N 3.23Å; D1308-V1314 HydrophobicContact CB-CG2 4.08Å; L1312-V1314 PolarHBondContact O-N 3.01Å
1315R46Very low44.2Very low79 Ų7957.3 Ų57.330%0.29832%0.321SS..EExtended strand (participates in β ladder)trans-86.2144.9179.7-52.4-144.682.3166.716.9112.2L1300 A1303 P1317L1300-R1315 VanDerWaalsContact CD2-CZ 3.46Å; L1300-R1315 PolarHBondContact O-NH1 3.49Å; L1300-R1315 PolarHBondContact O-NH2 2.88Å; A1303-R1315 PolarHBondContact O-NH2 3.33Å; R1315-P1317 VanDerWaalsContact O-CD 3.28Å; R1315-P1317 WeakPolarHBondContact O-CD 3.5Å
1316L46.9Very low44.4Very low12 Ų1256.3 Ų56.36%0.06331%0.311CS..PPolyproline II helixtrans-79116.4155.8-74.4165.6000108.8P1304 L1306 L1320 H1321 F1324P1304-L1316 HydrophobicContact CB-CD1 4.14Å; P1304-L1316 HydrophobicContact CG-CB 4.21Å; P1304-L1316 HydrophobicContact CG-CD1 3.91Å; P1304-L1316 PolarHBondContact O-N 2.83Å; P1304-L1316 VanDerWaalsContact O-N 3.14Å; L1306-L1316 HydrophobicContact CD1-CD1 4.29Å; L1306-L1316 HydrophobicContact CD1-CD2 4Å; L1306-L1316 HydrophobicContact CD1-CG 3.97Å; L1306-L1316 HydrophobicContact CD2-CD1 4.23Å; L1306-L1316 HydrophobicContact CG-CD1 4.26Å; L1306-L1316 HydrophobicContact CG-CG 4.13Å; L1316-L1320 HydrophobicContact CB-CB 4.36Å; L1316-L1320 HydrophobicContact CD2-CB 4.03Å; L1316-L1320 HydrophobicContact CD2-CD1 3.52Å; L1316-L1320 HydrophobicContact CD2-CG 4.41Å; L1316-H1321 PolarHBondContact O-NE2 3.44Å; L1316-F1324 HydrophobicContact CD1-CB 4.41Å; L1316-F1324 HydrophobicContact CD1-CD1 3.78Å; L1316-F1324 HydrophobicContact CD1-CD2 4.31Å; L1316-F1324 HydrophobicContact CD1-CE1 4.05Å; L1316-F1324 HydrophobicContact CD1-CG 3.92Å; L1316-F1324 HydrophobicContact CD1-CZ 4.43Å
1317P48.3Very low44.8Very low52 Ų5257.3 Ų57.334%0.33831%0.313SS..PPolyproline II helixtrans-58.1150.5170.116.7-28.2000112.1R1315 S1319 L1320 H1321R1315-P1317 VanDerWaalsContact O-CD 3.28Å; R1315-P1317 WeakPolarHBondContact O-CD 3.5Å; P1317-S1319 PolarHBondContact O-N 2.92Å; P1317-L1320 HydrophobicContact CG-CD1 3.92Å; P1317-L1320 HydrophobicContact CG-CG 4.06Å; P1317-L1320 WeakPolarHBondContact O-CB 3.11Å; P1317-L1320 PolarHBondContact O-N 3.33Å; P1317-H1321 PolarHBondContact O-CD2 3.14Å
1318D46.2Very low45.1Very low111 Ų11157.1 Ų57.159%0.59431%0.312SS*.G310 helixtrans-52.4-37.5-166.6-55.2-24.2000114.4L1320 H1321D1318-L1320 PolarHBondContact O-N 2.94Å; D1318-L1320 VanDerWaalsContact O-N 3.16Å; D1318-H1321 WeakPolarHBondContact CA-NE2 3.29Å; D1318-H1321 WeakPolarHBondContact O-CB 3.29Å; D1318-H1321 PolarHBondContact O-N 3.1Å; D1318-H1321 VanDerWaalsContact O-N 3.09Å; D1318-H1321 IonicContact OD1-CE1 3.91Å; D1318-H1321 PolarHBondContact OD1-CE1 3.3Å; D1318-H1321 IonicContact OD1-NE2 2.88Å
1319S46.8Very low45Very low46 Ų4657.4 Ų57.432%0.32232%0.322SS..G310 helixtrans-70.2-4.5177.752.40000114.8Y1172 P1317Y1172-S1319 WeakPolarHBondContact CE1-OG 3.19Å; Y1172-S1319 PolarHBondContact OH-OG 2.87Å; P1317-S1319 PolarHBondContact O-N 2.92Å
1320L50.3Low45.4Very low20 Ų2053.5 Ų53.511%0.10530%0.299CS..G310 helixtrans-95.1-12.4169-56.8-172.1000114Y1172 T1176 F1180 L1316 P1317 D1318 I1322 P1323 F1324Y1172-L1320 HydrophobicContact CE1-CD2 4.08Å; Y1172-L1320 HydrophobicContact CE2-CD2 4.34Å; Y1172-L1320 WeakPolarHBondContact OH-CD2 3.08Å; Y1172-L1320 VanDerWaalsContact OH-CG 3.24Å; Y1172-L1320 WeakPolarHBondContact OH-CG 3.44Å; T1176-L1320 HydrophobicContact CG2-CD2 3.16Å; F1180-L1320 HydrophobicContact CE2-CD2 4.4Å; L1316-L1320 HydrophobicContact CB-CB 4.36Å; L1316-L1320 HydrophobicContact CD2-CB 4.03Å; L1316-L1320 HydrophobicContact CD2-CD1 3.52Å; L1316-L1320 HydrophobicContact CD2-CG 4.41Å; P1317-L1320 HydrophobicContact CG-CD1 3.92Å; P1317-L1320 HydrophobicContact CG-CG 4.06Å; P1317-L1320 WeakPolarHBondContact O-CB 3.11Å; P1317-L1320 PolarHBondContact O-N 3.33Å; D1318-L1320 PolarHBondContact O-N 2.94Å; D1318-L1320 VanDerWaalsContact O-N 3.16Å; L1320-I1322 PolarHBondContact O-N 3.33Å; L1320-P1323 WeakPolarHBondContact O-CD 3.45Å; L1320-F1324 VanDerWaalsContact O-CB 3.27Å; L1320-F1324 WeakPolarHBondContact O-CB 3.43Å; L1320-F1324 PolarHBondContact O-N 3.46Å
1321H51.5Low45.8Very low18 Ų1849.6 Ų49.68%0.08328%0.281CS..Hα-helixtrans-65.8-43.8-171.3-61.6178.9000112A1303 L1316 P1317 D1318 A1325A1303-H1321 VanDerWaalsContact CB-CE1 3.43Å; A1303-H1321 WeakPolarHBondContact CB-CE1 3.17Å; L1316-H1321 PolarHBondContact O-NE2 3.44Å; P1317-H1321 PolarHBondContact O-CD2 3.14Å; D1318-H1321 WeakPolarHBondContact CA-NE2 3.29Å; D1318-H1321 WeakPolarHBondContact O-CB 3.29Å; D1318-H1321 PolarHBondContact O-N 3.1Å; D1318-H1321 VanDerWaalsContact O-N 3.09Å; D1318-H1321 IonicContact OD1-CE1 3.91Å; D1318-H1321 PolarHBondContact OD1-CE1 3.3Å; D1318-H1321 IonicContact OD1-NE2 2.88Å; H1321-A1325 WeakPolarHBondContact O-CB 3.49Å; H1321-A1325 PolarHBondContact O-N 3.23Å
1322I46.7Very low45.7Very low18 Ų1848.8 Ų48.89%0.09227%0.273CS..Hα-helixtrans-66.5-50.1176.3-46.9165.6000111.6L1320 F1324 A1325 R1326 Y1390 W1391L1320-I1322 PolarHBondContact O-N 3.33Å; I1322-F1324 VanDerWaalsContact C-N 3.33Å; I1322-F1324 PolarHBondContact O-N 3.15Å; I1322-A1325 PolarHBondContact O-N 3.24Å; I1322-R1326 WeakPolarHBondContact O-CB 3.35Å; I1322-R1326 PolarHBondContact O-N 3.21Å; I1322-Y1390 HydrophobicContact CD1-CE1 4.03Å; I1322-W1391 HydrophobicContact CD1-CD2 4.43Å; I1322-W1391 HydrophobicContact CD1-CE3 3.86Å; I1322-W1391 HydrophobicContact CD1-CH2 3.54Å; I1322-W1391 HydrophobicContact CD1-CZ2 4.1Å; I1322-W1391 HydrophobicContact CD1-CZ3 3.4Å; I1322-W1391 HydrophobicContact CG1-CE3 4.39Å; I1322-W1391 HydrophobicContact CG1-CH2 3.7Å; I1322-W1391 HydrophobicContact CG1-CZ3 3.52Å
1323P47.4Very low45.6Very low24 Ų2444.9 Ų44.916%0.15625%0.254CS..Hα-helixtrans-55.2-44175.3-28.736.6000113.7F1180 L1320 R1326 Y1327F1180-P1323 HydrophobicContact CB-CB 3.9Å; F1180-P1323 WeakPolarHBondContact CB-O 3.01Å; F1180-P1323 HydrophobicContact CD2-CB 3.26Å; F1180-P1323 HydrophobicContact CD2-CG 4.49Å; F1180-P1323 HydrophobicContact CE2-CB 4.02Å; F1180-P1323 HydrophobicContact CG-CB 3.81Å; L1320-P1323 WeakPolarHBondContact O-CD 3.45Å; P1323-R1326 PolarHBondContact O-N 3.08Å; P1323-Y1327 PolarHBondContact O-N 3.29Å
1324F50.7Low45Very low29 Ų2945.9 Ų45.913%0.12726%0.259CS..Hα-helixtrans-64.5-44.3177.7-174.8-116.1000112.3F1180 L1262 L1316 L1320 I1322 R1326 Y1327 L1328F1180-F1324 HydrophobicContact CE1-CB 4.31Å; F1180-F1324 AromaticContact CE1-CD2 3.76Å; F1180-F1324 HydrophobicContact CE1-CD2 3.76Å; F1180-F1324 HydrophobicContact CZ-CB 4.31Å; F1180-F1324 HydrophobicContact CZ-CD2 4.24Å; L1262-F1324 HydrophobicContact CD1-CE2 4.49Å; L1262-F1324 HydrophobicContact CD1-CZ 4.31Å; L1262-F1324 HydrophobicContact CD2-CE2 4.4Å; L1262-F1324 HydrophobicContact CD2-CZ 4.26Å; L1316-F1324 HydrophobicContact CD1-CB 4.41Å; L1316-F1324 HydrophobicContact CD1-CD1 3.78Å; L1316-F1324 HydrophobicContact CD1-CD2 4.31Å; L1316-F1324 HydrophobicContact CD1-CE1 4.05Å; L1316-F1324 HydrophobicContact CD1-CG 3.92Å; L1316-F1324 HydrophobicContact CD1-CZ 4.43Å; L1320-F1324 VanDerWaalsContact O-CB 3.27Å; L1320-F1324 WeakPolarHBondContact O-CB 3.43Å; L1320-F1324 PolarHBondContact O-N 3.46Å; I1322-F1324 VanDerWaalsContact C-N 3.33Å; I1322-F1324 PolarHBondContact O-N 3.15Å; F1324-R1326 VanDerWaalsContact C-N 3.32Å; F1324-R1326 PolarHBondContact O-N 2.9Å; F1324-Y1327 WeakPolarHBondContact O-CB 3.47Å; F1324-Y1327 PolarHBondContact O-N 2.73Å; F1324-L1328 HydrophobicContact CD1-CD1 4.15Å; F1324-L1328 HydrophobicContact CE1-CD1 3.86Å; F1324-L1328 HydrophobicContact CZ-CD1 4.23Å; F1324-L1328 WeakPolarHBondContact O-CG 3.32Å; F1324-L1328 PolarHBondContact O-N 3.39Å
1325A46.7Very low44.3Very low17 Ų1745.6 Ų45.614%0.1425%0.254CS..Hα-helixtrans-63.1-36.8174.700000112.6H1321 I1322 L1328 A1329 I1382H1321-A1325 WeakPolarHBondContact O-CB 3.49Å; H1321-A1325 PolarHBondContact O-N 3.23Å; I1322-A1325 PolarHBondContact O-N 3.24Å; A1325-L1328 PolarHBondContact O-N 2.71Å; A1325-A1329 WeakPolarHBondContact O-CB 3.41Å; A1325-A1329 PolarHBondContact O-N 2.94Å; A1325-I1382 HydrophobicContact CB-CD1 3.64Å; A1325-I1382 HydrophobicContact CB-CG1 4.25Å
1326R45.8Very low43.5Very low34 Ų3448.1 Ų48.113%0.12827%0.273CS..Hα-helixtrans-66.6-39.1174.6-171.9-176.2-63.91594111.9I1322 P1323 F1324 A1329 R1330 E1394I1322-R1326 WeakPolarHBondContact O-CB 3.35Å; I1322-R1326 PolarHBondContact O-N 3.21Å; P1323-R1326 PolarHBondContact O-N 3.08Å; F1324-R1326 VanDerWaalsContact C-N 3.32Å; F1324-R1326 PolarHBondContact O-N 2.9Å; R1326-A1329 PolarHBondContact O-N 2.77Å; R1326-R1330 WeakPolarHBondContact O-CB 3.47Å; R1326-R1330 VanDerWaalsContact O-CG 3.3Å; R1326-R1330 WeakPolarHBondContact O-CG 3.36Å; R1326-R1330 PolarHBondContact O-N 3.13Å; R1326-E1394 IonicContact CZ-OE1 2.83Å; R1326-E1394 IonicContact CZ-OE2 3.07Å; R1326-E1394 IonicContact NH2-OE1 3.21Å; R1326-E1394 PolarHBondContact NH2-OE1 3.37Å; R1326-E1394 IonicContact NH2-OE2 2.75Å; R1326-E1394 PolarHBondContact NH2-OE2 3.45Å
1327Y51.4Low42.5Very low56 Ų5655 Ų5522%0.2231%0.305CS..Hα-helixtrans-60.2-48.6173.3173.9-102000111.2F1180 C1184 P1323 F1324 A1329 R1330 S1331F1180-Y1327 HydrophobicContact CD1-CD1 4.5Å; F1180-Y1327 HydrophobicContact CD1-CD2 4.46Å; F1180-Y1327 HydrophobicContact CD1-CG 4.01Å; C1184-Y1327 PolarHBondContact SG-OH 3.14Å; P1323-Y1327 PolarHBondContact O-N 3.29Å; F1324-Y1327 WeakPolarHBondContact O-CB 3.47Å; F1324-Y1327 PolarHBondContact O-N 2.73Å; Y1327-A1329 PolarHBondContact O-N 3.22Å; Y1327-R1330 PolarHBondContact O-N 2.61Å; Y1327-R1330 VanDerWaalsContact O-N 3.12Å; Y1327-S1331 PolarHBondContact O-N 2.92Å
1328L45.6Very low41.5Very low26 Ų2659.6 Ų59.614%0.13633%0.327CS..Hα-helixtrans-59.7-43.3175.5-66.8171.9000112.6F1324 A1325 R1330 S1331 F1350F1324-L1328 HydrophobicContact CD1-CD1 4.15Å; F1324-L1328 HydrophobicContact CE1-CD1 3.86Å; F1324-L1328 HydrophobicContact CZ-CD1 4.23Å; F1324-L1328 WeakPolarHBondContact O-CG 3.32Å; F1324-L1328 PolarHBondContact O-N 3.39Å; A1325-L1328 PolarHBondContact O-N 2.71Å; L1328-R1330 VanDerWaalsContact C-N 3.26Å; L1328-R1330 PolarHBondContact O-N 2.92Å; L1328-S1331 PolarHBondContact O-OG 3.4Å; L1328-S1331 VanDerWaalsContact O-OG 3.06Å; L1328-F1350 HydrophobicContact CD2-CZ 4.32Å
1329A42.5Very low40.6Very low59 Ų5963.8 Ų63.849%0.48834%0.335SS..Hα-helixtrans-67.4-24.6176.800000113.7A1325 R1326 Y1327A1325-A1329 WeakPolarHBondContact O-CB 3.41Å; A1325-A1329 PolarHBondContact O-N 2.94Å; R1326-A1329 PolarHBondContact O-N 2.77Å; Y1327-A1329 PolarHBondContact O-N 3.22Å
1330R44.5Very low39.6Very low102 Ų10268.7 Ų68.739%0.38536%0.357SS..Hα-helixtrans-85.4-40.9177.3-77.1177.2174-177.6-5.9112.8R1326 Y1327 L1328 G1332 E1401R1326-R1330 WeakPolarHBondContact O-CB 3.47Å; R1326-R1330 VanDerWaalsContact O-CG 3.3Å; R1326-R1330 WeakPolarHBondContact O-CG 3.36Å; R1326-R1330 PolarHBondContact O-N 3.13Å; Y1327-R1330 PolarHBondContact O-N 2.61Å; Y1327-R1330 VanDerWaalsContact O-N 3.12Å; L1328-R1330 VanDerWaalsContact C-N 3.26Å; L1328-R1330 PolarHBondContact O-N 2.92Å; R1330-G1332 VanDerWaalsContact C-N 3.31Å; R1330-G1332 PolarHBondContact O-N 2.66Å; R1330-E1401 IonicContact CZ-OE1 2.69Å; R1330-E1401 IonicContact NE-OE1 2.78Å; R1330-E1401 IonicContact NE-OE2 3.86Å; R1330-E1401 IonicContact NH2-OE1 3.21Å; R1330-E1401 PolarHBondContact NH2-OE1 3.47Å; R1330-E1401 IonicContact NH2-OE2 3.81Å
1331S44.4Very low38.6Very low35 Ų3577.1 Ų77.125%0.24540%0.396CS..Hα-helixtrans-57.8-39.7-172.866.30000113.2C1184 Y1327 L1328 S1333C1184-S1331 WeakPolarHBondContact SG-CB 3.24Å; Y1327-S1331 PolarHBondContact O-N 2.92Å; L1328-S1331 PolarHBondContact O-OG 3.4Å; L1328-S1331 VanDerWaalsContact O-OG 3.06Å; S1331-S1333 PolarHBondContact O-N 3.33Å; S1331-S1333 VanDerWaalsContact O-N 3.11Å
1332G36.1Very low37.4Very low30 Ų3081.8 Ų81.831%0.30943%0.43SS..  trans62.118.3173.500000114.8R1330 V1334R1330-G1332 VanDerWaalsContact C-N 3.31Å; R1330-G1332 PolarHBondContact O-N 2.66Å; G1332-V1334 PolarHBondContact O-N 2.88Å
1333S34.9Very low36.7Very low25 Ų2588.2 Ų88.218%0.17547%0.465CS..  trans-67.6121-167.9-168.40000111.7D1189 S1331 L1335D1189-S1333 WeakPolarHBondContact OD1-CB 3.38Å; D1189-S1333 PolarHBondContact OD1-OG 3.43Å; S1331-S1333 PolarHBondContact O-N 3.33Å; S1331-S1333 VanDerWaalsContact O-N 3.11Å; S1333-L1335 PolarHBondContact O-N 2.87Å
1334V29.2Very low35.7Very low100 Ų10093.1 Ų93.161%0.60650%0.497SS*.  trans-83.961.2-172.9-179.10000109.6G1332 L1336 K1346G1332-V1334 PolarHBondContact O-N 2.88Å; V1334-L1336 PolarHBondContact O-N 3.42Å; V1334-K1346 HydrophobicContact CG1-CD 4.03Å
1335L29.4Very low34.6Very low64 Ų6498.1 Ų98.134%0.33552%0.524SS..  trans-67.4129.7177.6-66.3171.4000110.4S1333 F1350S1333-L1335 PolarHBondContact O-N 2.87Å; L1335-F1350 HydrophobicContact CD1-CD1 4.39Å; L1335-F1350 HydrophobicContact CD1-CE1 4.08Å
1336L27.8Very low33.8Very low132 Ų132102.2 Ų102.269%0.69154%0.539SS*.  trans71.8102.8178.4-55.7171000117.2V1334 N1338 K1346V1334-L1336 PolarHBondContact O-N 3.42Å; L1336-N1338 PolarHBondContact O-N 3.22Å; L1336-K1346 PolarHBondContact O-NZ 3.32Å
1337E26.4Very low32.9Very low156 Ų156112 Ų11273%0.72958%0.576SS**  trans-67.7112.1149-76.8-165.9151.400109.6
1338N27.9Very low31.7Very low150 Ų150114.9 Ų114.980%0.80259%0.587SS**  trans-85.6110.6161.1-157.5-3000107.9L1336 N1340L1336-N1338 PolarHBondContact O-N 3.22Å; N1338-N1340 PolarHBondContact O-N 3.1Å
1339R25.9Very low30.7Very low199 Ų199118.8 Ų118.875%0.75161%0.605SS**SBendtrans-75.974177.6-72.9-170.8179.7-171.93.3110.8
1340N27.1Very low30Very low148 Ų148120.9 Ų120.979%0.79160%0.603SS**SBendtrans-178.2137.1144.4-89.4-30.3000111.2N1338N1338-N1340 PolarHBondContact O-N 3.1Å
1341E28.1Very low29.1Very low197 Ų197120.3 Ų120.392%0.92162%0.62SS**SBendtrans71.4153.3172-55.7-167.4163.700118.5
1342S27.9Very low28.3Very low116 Ų116127 Ų12781%0.81164%0.64SS**  trans-101.898.3-152.356.30000114.3
1343D30.9Very low27.8Very low153 Ų153129.3 Ų129.382%0.81865%0.648SS**  trans-142.8124.8172.9-96.4-40.3000112.2
1344P27.6Very low27.3Very low127 Ų127136.9 Ų136.983%0.82567%0.674SS**  trans-108.257.1178.539.4-32.8000113.8
1345L27.8Very low27.2Very low135 Ų135141 Ų14171%0.70769%0.686SS**  trans-150.590.9166-105.3167000110.2P1700L1345-P1700 WeakPolarHBondContact CD1-O 3.35Å
1346K29.1Very low27Very low103 Ų103143.7 Ų143.745%0.44871%0.711SS.*PPolyproline II helixtrans-80131.9-176.2-63.3-168.7-173.5-1770112.2V1334 L1336V1334-K1346 HydrophobicContact CG1-CD 4.03Å; L1336-K1346 PolarHBondContact O-NZ 3.32Å
1347R26.7Very low27Very low239 Ų239142.4 Ų142.490%0.90271%0.712SS**PPolyproline II helixtrans-72.5148.5161.8-79178.3168.3147.8-0.8109.5
1348Y26.9Very low27Very low116 Ų116140.7 Ų140.746%0.45572%0.718SS.*PPolyproline II helixtrans-84.5120.1169.7-61.2-82.3000109.7
1349E24.5Very low27.1Very low108 Ų108139.8 Ų139.851%0.50572%0.717SS.*  trans-138.1123.7177.7-174.3163.1-152.300107.8
1350F26.5Very low27.2Very low104 Ų104135 Ų13546%0.45672%0.715SS.*  trans-112.6124.5-171.6-66.3-80.4000111.1L1328 L1335L1328-F1350 HydrophobicContact CD2-CZ 4.32Å; L1335-F1350 HydrophobicContact CD1-CD1 4.39Å; L1335-F1350 HydrophobicContact CD1-CE1 4.08Å
1351A27.2Very low27.2Very low89 Ų89135 Ų13574%0.73672%0.715SS**  trans-148.2116.2-177.500000114.3
1352R26.6Very low27.2Very low176 Ų176131.5 Ų131.566%0.66471%0.707SS**  168.1135.5126-96.6-171.4-177.3-172.14.3110.8
1353T25Very low27Very low79 Ų79131.7 Ų131.749%0.48571%0.708SS.*  trans-149.9150.5153.9-15.20000112.8V1263 P1264V1263-T1353 HydrophobicContact CG1-CG2 3.21Å; V1263-T1353 WeakPolarHBondContact CG1-OG1 3.45Å; P1264-T1353 PolarHBondContact O-OG1 3.18Å
1354Y25.7Very low26.8Very low183 Ų183127.8 Ų127.872%0.71870%0.704SS**  trans-88.4136.1176.2-60-92.9000110.8
1355H26.3Very low26.8Very low187 Ų187127.4 Ų127.487%0.86670%0.701SS**  trans-90.1135164.5-83.1-70.1000110.4S1357H1355-S1357 PolarHBondContact O-N 2.91Å
1356S24.6Very low26.7Very low121 Ų121129.7 Ų129.785%0.84671%0.708SS**  trans-75.4108.1164.750.30000110S1358S1356-S1358 PolarHBondContact O-N 3.49Å
1357S28.6Very low26.5Very low104 Ų104133.6 Ų133.673%0.72773%0.73SS**  trans-75.2108.2168.539.50000110H1355 V1359H1355-S1357 PolarHBondContact O-N 2.91Å; S1357-V1359 PolarHBondContact O-N 2.97Å
1358S26.6Very low26.4Very low120 Ų120130.5 Ų130.584%0.83973%0.731SS**  trans-68.790172.241.90000111S1356S1356-S1358 PolarHBondContact O-N 3.49Å
1359V29Very low26.3Very low131 Ų131134.5 Ų134.579%0.79475%0.751SS**  trans-95.8102.8175.1-177.90000110S1357S1357-V1359 PolarHBondContact O-N 2.97Å
1360S29.6Very low26.5Very low99 Ų99132.9 Ų132.969%0.69276%0.763SS**  trans-112.9100.7170.153.60000111
1361N26.6Very low26.3Very low149 Ų149133.9 Ų133.980%0.79778%0.782SS**  trans63129.1164.6-53.4-29.6000116
1362T26.9Very low26.2Very low123 Ų123135.7 Ų135.776%0.75579%0.786SS**  cis-155.714639.5440000114.3
1363S24.5Very low26.2Very low120 Ų120133.9 Ų133.984%0.83979%0.794SS**  trans50.998.1145.763.60000121.3
1364G27.2Very low26.2Very low70 Ų70138.6 Ų138.672%0.72281%0.811SS**  trans153.2110152.500000114.6
1365P28.1Very low26.2Very low120 Ų120136.5 Ų136.578%0.77982%0.817SS**  trans-79.8138.4171.332.1-31.1000110.8
1366H24.9Very low26.2Very low182 Ų182133 Ų13384%0.84380%0.804SS**SBendtrans100.973-178.6-57.7-70.7000117
1367M24.4Very low26.3Very low186 Ų186138 Ų13892%0.91681%0.805SS**  trans174.6100.1131.2-99-172.1-7400111
1368L24.8Very low26.2Very low174 Ų174137 Ų13791%0.91180%0.803SS**  trans-142.368.5170-80.2178000111.3
1369F25.5Very low26.2Very low199 Ų199137.6 Ų137.687%0.87380%0.801SS**  trans-134109.4159.9-89.7-74.1000108.4
1370G27.1Very low26.2Very low75 Ų75137.4 Ų137.477%0.77379%0.79SS**  trans-163.599.3179.700000111
1371C23.5Very low26.5Very low125 Ų125136.1 Ų136.185%0.84578%0.776SS**PPolyproline II helixtrans-69.2135.8-173.4-58.20000113.1
1372P24.7Very low26.7Very low127 Ų127131.2 Ų131.283%0.82575%0.749SS**PPolyproline II helixtrans-87.6145.9164.533.1-29.3000112
1373V26.4Very low27Very low138 Ų138127.1 Ų127.184%0.83672%0.723SS**PPolyproline II helixtrans-81.8145-167.5176.10000113.7
1374E24.7Very low27.6Very low177 Ų177123.9 Ų123.983%0.82770%0.701SS**PPolyproline II helixtrans-72.9143177.3-57.9175.6137.600114.2
1375V27.2Very low27.9Very low139 Ų139128 Ų12884%0.84271%0.706SS**  trans-148.7125.3164.5-172.60000110.7
1376N26.4Very low28.7Very low114 Ų114129.5 Ų129.561%0.6170%0.702SS**  trans-94.8144.2-175.3-55.97.8000113.1
1377R25.3Very low29.7Very low227 Ų227125.3 Ų125.386%0.85769%0.686SS**  trans143.9132.5143.6-81.2166.4-172.9-171.43.4113.9
1378A26.6Very low31Very low83 Ų83118.6 Ų118.669%0.68666%0.657SS**  trans-146.9148.1155.900000110.8
1379T26.9Very low32.1Very low131 Ų131112.6 Ų112.680%0.80463%0.628SS**  trans-131.3158.9175.342.60000109.2
1380F29.9Very low33.4Very low127 Ų127109.1 Ų109.156%0.55761%0.61SS**  trans-122.2139.4178.656.8-96.8000111.7
1381D34.4Very low34.6Very low73 Ų73109.2 Ų109.239%0.3959%0.587SS.*  trans-114.2153.1-178-65.2-71.2000110.9
1382I31.8Very low36.1Very low45 Ų45103.9 Ų103.923%0.23155%0.552CS.*  trans-117.7112.1172.6-56.1173.9000107.8A1325 W1391 F1707A1325-I1382 HydrophobicContact CB-CD1 3.64Å; A1325-I1382 HydrophobicContact CB-CG1 4.25Å; I1382-W1391 HydrophobicContact CG2-CH2 4.41Å; I1382-W1391 HydrophobicContact CG2-CZ3 3.86Å; I1382-F1707 HydrophobicContact CB-CE1 4.3Å; I1382-F1707 WeakPolarHBondContact O-CD1 3.46Å
1383V33.2Very low37.6Very low37 Ų3799.2 Ų99.222%0.22452%0.521CS..  trans-107.1141-175.1-179.50000110.4M1709V1383-M1709 HydrophobicContact CB-SD 4.25Å; V1383-M1709 HydrophobicContact CG1-CE 4Å; V1383-M1709 HydrophobicContact CG1-CG 4.02Å; V1383-M1709 HydrophobicContact CG1-SD 3.56Å; V1383-M1709 VanDerWaalsContact CG1-SD 3.56Å; V1383-M1709 HydrophobicContact CG2-CG 4.22Å; V1383-M1709 HydrophobicContact CG2-SD 3.61Å
1384S36Very low38.9Very low52 Ų5293.9 Ų93.936%0.36449%0.487SS..  trans-123.9136.9165177.60000109.7E1386 W1391S1384-E1386 PolarHBondContact OG-N 3.33Å; S1384-E1386 PolarHBondContact OG-O 3.06Å; S1384-W1391 VanDerWaalsContact CB-CE2 3.42Å; S1384-W1391 VanDerWaalsContact OG-CE2 3.24Å; S1384-W1391 PolarHBondContact OG-NE1 2.93Å
1385L34.5Very low40.4Very low158 Ų15886.8 Ų86.883%0.82746%0.455SS*.SBendtrans-87.4-7.8174.3-77.4153.7000113.4
1386E43.7Very low42Very low151 Ų15180.9 Ų80.971%0.70642%0.418SS*.SBendtrans-137.4139.4-176.2-65.6-167165.800114.5S1384 S1388S1384-E1386 PolarHBondContact OG-N 3.33Å; S1384-E1386 PolarHBondContact OG-O 3.06Å; E1386-S1388 PolarHBondContact O-N 2.91Å
1387N47.4Very low43.5Very low93 Ų9377.1 Ų77.150%0.49740%0.399SS..  trans-73.885.6171.2-89.5-79.1000110.5N1590 G1591 E1656N1387-N1590 PolarHBondContact ND2-O 3.05Å; N1387-G1591 VanDerWaalsContact OD1-CA 3.31Å; N1387-G1591 WeakPolarHBondContact OD1-CA 3.27Å; N1387-E1656 PolarHBondContact ND2-OE1 3.18Å
1388S50.1Low45Very low46 Ų4668.8 Ų68.832%0.32237%0.371SS..  trans-114146.5174.794.40000112.8E1386 Y1390 W1391E1386-S1388 PolarHBondContact O-N 2.91Å; S1388-Y1390 PolarHBondContact O-N 3.27Å; S1388-W1391 PolarHBondContact O-N 2.62Å
1389T49.7Very low46.4Very low48 Ų4865.2 Ų65.229%0.29434%0.34SS..Hα-helixtrans-64.3-20.3177.942.50000113.3A1392 T1393 L1557 E1560T1389-A1392 PolarHBondContact O-N 3.44Å; T1389-T1393 PolarHBondContact O-N 2.86Å; T1389-T1393 PolarHBondContact O-OG1 2.99Å; T1389-L1557 HydrophobicContact CG2-CD2 4.29Å; T1389-E1560 HydrophobicContact CG2-CB 4.02Å; T1389-E1560 WeakPolarHBondContact CG2-OE2 3.29Å
1390Y51.4Low48Very low125 Ų12564.6 Ų64.649%0.4932%0.323SS..Hα-helixtrans-60.4-44.8172.2-177.5-94.6000111.7I1322 S1388 A1392 T1393 E1394I1322-Y1390 HydrophobicContact CD1-CE1 4.03Å; S1388-Y1390 PolarHBondContact O-N 3.27Å; Y1390-A1392 PolarHBondContact O-N 3.32Å; Y1390-T1393 WeakPolarHBondContact O-CB 3.48Å; Y1390-T1393 PolarHBondContact O-N 2.96Å; Y1390-E1394 HydrophobicContact CD1-CG 4.28Å; Y1390-E1394 HydrophobicContact CE1-CG 3.89Å; Y1390-E1394 PolarHBondContact O-N 2.91Å
1391W53.8Low49.2Very low77 Ų7762.3 Ų62.329%0.29231%0.314SS..Hα-helixtrans-63.7-41.2179.4-71.3104.2000113.2I1322 I1382 S1384 S1388 E1394 L1395I1322-W1391 HydrophobicContact CD1-CD2 4.43Å; I1322-W1391 HydrophobicContact CD1-CE3 3.86Å; I1322-W1391 HydrophobicContact CD1-CH2 3.54Å; I1322-W1391 HydrophobicContact CD1-CZ2 4.1Å; I1322-W1391 HydrophobicContact CD1-CZ3 3.4Å; I1322-W1391 HydrophobicContact CG1-CE3 4.39Å; I1322-W1391 HydrophobicContact CG1-CH2 3.7Å; I1322-W1391 HydrophobicContact CG1-CZ3 3.52Å; I1382-W1391 HydrophobicContact CG2-CH2 4.41Å; I1382-W1391 HydrophobicContact CG2-CZ3 3.86Å; S1384-W1391 VanDerWaalsContact CB-CE2 3.42Å; S1384-W1391 VanDerWaalsContact OG-CE2 3.24Å; S1384-W1391 PolarHBondContact OG-NE1 2.93Å; S1388-W1391 PolarHBondContact O-N 2.62Å; W1391-E1394 PolarHBondContact O-N 3.45Å; W1391-L1395 WeakPolarHBondContact O-CB 3.33Å; W1391-L1395 PolarHBondContact O-N 3.31Å
1392A53.1Low50Low13 Ų1361 Ų6111%0.10731%0.309CS..Hα-helixtrans-65.8-42.3174.100000111.3T1389 Y1390 E1394 L1395 F1396 L1561 L1592T1389-A1392 PolarHBondContact O-N 3.44Å; Y1390-A1392 PolarHBondContact O-N 3.32Å; A1392-E1394 VanDerWaalsContact C-N 3.3Å; A1392-E1394 PolarHBondContact O-N 2.92Å; A1392-L1395 WeakPolarHBondContact O-CB 3.45Å; A1392-L1395 PolarHBondContact O-N 3.15Å; A1392-F1396 WeakPolarHBondContact O-CD2 3.49Å; A1392-F1396 PolarHBondContact O-N 3.22Å; A1392-L1561 HydrophobicContact CB-CD1 4.37Å; A1392-L1561 HydrophobicContact CB-CD2 3.37Å; A1392-L1592 HydrophobicContact CB-CD2 4.28Å
1393T56.6Low51.1Low30 Ų3059 Ų5918%0.18430%0.298CS..Hα-helixtrans-55.5-45.9174-53.30000111.2T1389 Y1390 F1396 V1397 I1564 F1568T1389-T1393 PolarHBondContact O-N 2.86Å; T1389-T1393 PolarHBondContact O-OG1 2.99Å; Y1390-T1393 WeakPolarHBondContact O-CB 3.48Å; Y1390-T1393 PolarHBondContact O-N 2.96Å; T1393-F1396 WeakPolarHBondContact O-CB 3.47Å; T1393-F1396 PolarHBondContact O-N 2.83Å; T1393-V1397 WeakPolarHBondContact O-CG2 3.34Å; T1393-V1397 PolarHBondContact O-N 2.99Å; T1393-I1564 HydrophobicContact CG2-CG2 4.02Å; T1393-I1564 WeakPolarHBondContact OG1-CD1 3.45Å; T1393-F1568 HydrophobicContact CG2-CE2 4.02Å
1394E54.6Low52.3Low25 Ų2560.3 Ų60.312%0.11730%0.304CS..Hα-helixtrans-71.8-38.5-179.5-74.5-70.9-161.600113.1R1326 Y1390 W1391 A1392 F1396 V1397 I1398R1326-E1394 IonicContact CZ-OE1 2.83Å; R1326-E1394 IonicContact CZ-OE2 3.07Å; R1326-E1394 IonicContact NH2-OE1 3.21Å; R1326-E1394 PolarHBondContact NH2-OE1 3.37Å; R1326-E1394 IonicContact NH2-OE2 2.75Å; R1326-E1394 PolarHBondContact NH2-OE2 3.45Å; Y1390-E1394 HydrophobicContact CD1-CG 4.28Å; Y1390-E1394 HydrophobicContact CE1-CG 3.89Å; Y1390-E1394 PolarHBondContact O-N 2.91Å; W1391-E1394 PolarHBondContact O-N 3.45Å; A1392-E1394 VanDerWaalsContact C-N 3.3Å; A1392-E1394 PolarHBondContact O-N 2.92Å; E1394-F1396 VanDerWaalsContact C-N 3.3Å; E1394-F1396 PolarHBondContact O-N 3.32Å; E1394-V1397 PolarHBondContact O-N 3.23Å; E1394-I1398 VanDerWaalsContact O-CG1 3.32Å; E1394-I1398 WeakPolarHBondContact O-CG1 3.37Å; E1394-I1398 PolarHBondContact O-N 2.95Å
1395L55.9Low53.1Low28 Ų2864 Ų6415%0.14731%0.314CS..Hα-helixtrans-55.2-47.1169.3-177.389.9000110.8W1391 A1392 I1398 L1399 F1594 F1707W1391-L1395 WeakPolarHBondContact O-CB 3.33Å; W1391-L1395 PolarHBondContact O-N 3.31Å; A1392-L1395 WeakPolarHBondContact O-CB 3.45Å; A1392-L1395 PolarHBondContact O-N 3.15Å; L1395-I1398 PolarHBondContact O-N 3.16Å; L1395-L1399 HydrophobicContact CD2-CD1 4.32Å; L1395-L1399 HydrophobicContact CG-CD1 4.15Å; L1395-L1399 WeakPolarHBondContact O-CB 3.4Å; L1395-L1399 VanDerWaalsContact O-CG 3.27Å; L1395-L1399 WeakPolarHBondContact O-CG 3.47Å; L1395-L1399 PolarHBondContact O-N 2.97Å; L1395-F1594 HydrophobicContact CD1-CE1 4.03Å; L1395-F1594 HydrophobicContact CD1-CZ 3.79Å; L1395-F1594 HydrophobicContact CD2-CD1 3.72Å; L1395-F1594 HydrophobicContact CD2-CD2 4.38Å; L1395-F1594 HydrophobicContact CD2-CE1 3.46Å; L1395-F1594 VanDerWaalsContact CD2-CE1 3.46Å; L1395-F1594 HydrophobicContact CD2-CE2 4.16Å; L1395-F1594 HydrophobicContact CD2-CG 4.18Å; L1395-F1594 HydrophobicContact CD2-CZ 3.71Å; L1395-F1594 HydrophobicContact CG-CE1 4.39Å; L1395-F1594 HydrophobicContact CG-CZ 4.31Å; L1395-F1707 HydrophobicContact CD1-CE2 4.37Å; L1395-F1707 HydrophobicContact CD1-CZ 4.17Å
1396F60.7Low53.7Low15 Ų1561.4 Ų61.47%0.06630%0.3CS..Hα-helixtrans-62.1-42.2176.7-82.3-70000112.6A1392 T1393 E1394 L1399 R1400 L1416 L1561 W1570 L1576A1392-F1396 WeakPolarHBondContact O-CD2 3.49Å; A1392-F1396 PolarHBondContact O-N 3.22Å; T1393-F1396 WeakPolarHBondContact O-CB 3.47Å; T1393-F1396 PolarHBondContact O-N 2.83Å; E1394-F1396 VanDerWaalsContact C-N 3.3Å; E1394-F1396 PolarHBondContact O-N 3.32Å; F1396-L1399 PolarHBondContact O-N 3.16Å; F1396-R1400 WeakPolarHBondContact O-CB 3.38Å; F1396-R1400 PolarHBondContact O-N 3.16Å; F1396-L1416 HydrophobicContact CD1-CD2 4Å; F1396-L1416 HydrophobicContact CE1-CD2 3.19Å; F1396-L1416 HydrophobicContact CZ-CD2 3.65Å; F1396-L1561 HydrophobicContact CE2-CD2 4.43Å; F1396-W1570 HydrophobicContact CB-CH2 3.34Å; F1396-W1570 HydrophobicContact CB-CZ2 4.26Å; F1396-W1570 HydrophobicContact CB-CZ3 3.6Å; F1396-W1570 HydrophobicContact CD1-CE3 4.08Å; F1396-W1570 HydrophobicContact CD1-CH2 4.09Å; F1396-W1570 AromaticContact CD1-CZ3 3.37Å; F1396-W1570 HydrophobicContact CD1-CZ3 3.37Å; F1396-W1570 HydrophobicContact CD2-CH2 4.4Å; F1396-W1570 HydrophobicContact CD2-CZ3 4.13Å; F1396-W1570 HydrophobicContact CE1-CE3 4.46Å; F1396-W1570 AromaticContact CE1-CZ3 3.92Å; F1396-W1570 HydrophobicContact CE1-CZ3 3.92Å; F1396-W1570 AromaticContact CG-CH2 3.77Å; F1396-W1570 HydrophobicContact CG-CH2 3.77Å; F1396-W1570 AromaticContact CG-CZ3 3.49Å; F1396-W1570 HydrophobicContact CG-CZ3 3.49Å; F1396-W1570 VanDerWaalsContact CG-CZ3 3.49Å; F1396-L1576 HydrophobicContact CZ-CD1 4.25Å
1397V58.4Low54.1Low35 Ų3555.7 Ų55.721%0.21227%0.273CS..Hα-helixtrans-62.8-45.4176.7169.90000111T1393 E1394 R1400 E1401T1393-V1397 WeakPolarHBondContact O-CG2 3.34Å; T1393-V1397 PolarHBondContact O-N 2.99Å; E1394-V1397 PolarHBondContact O-N 3.23Å; V1397-R1400 PolarHBondContact O-N 2.78Å; V1397-E1401 PolarHBondContact O-N 2.99Å
1398I55.7Low54.4Low53 Ų5359 Ų5927%0.27229%0.286SS..Hα-helixtrans-62.9-47.3176.8-67166.6000110.5E1394 L1395 R1400 E1401 V1402E1394-I1398 VanDerWaalsContact O-CG1 3.32Å; E1394-I1398 WeakPolarHBondContact O-CG1 3.37Å; E1394-I1398 PolarHBondContact O-N 2.95Å; L1395-I1398 PolarHBondContact O-N 3.16Å; I1398-R1400 VanDerWaalsContact C-N 3.27Å; I1398-R1400 PolarHBondContact O-N 3.09Å; I1398-E1401 PolarHBondContact O-N 3.27Å; I1398-V1402 HydrophobicContact CG2-CG2 4.21Å; I1398-V1402 WeakPolarHBondContact O-CB 3.08Å; I1398-V1402 VanDerWaalsContact O-CG2 3.28Å; I1398-V1402 WeakPolarHBondContact O-CG2 3.37Å; I1398-V1402 PolarHBondContact O-N 3.01Å
1399L55.9Low54.5Low8 Ų859.1 Ų59.14%0.04229%0.286CS..Hα-helixtrans-58.1-39.3176.1-74.3175.6000111.7L1395 F1396 T1403 L1596 L1705L1395-L1399 HydrophobicContact CD2-CD1 4.32Å; L1395-L1399 HydrophobicContact CG-CD1 4.15Å; L1395-L1399 WeakPolarHBondContact O-CB 3.4Å; L1395-L1399 VanDerWaalsContact O-CG 3.27Å; L1395-L1399 WeakPolarHBondContact O-CG 3.47Å; L1395-L1399 PolarHBondContact O-N 2.97Å; F1396-L1399 PolarHBondContact O-N 3.16Å; L1399-T1403 WeakPolarHBondContact O-CB 3.36Å; L1399-T1403 VanDerWaalsContact O-CG2 3.31Å; L1399-T1403 WeakPolarHBondContact O-CG2 3.45Å; L1399-T1403 PolarHBondContact O-N 3.33Å; L1399-T1403 PolarHBondContact O-OG1 3.45Å; L1399-L1596 HydrophobicContact CD2-CD2 4Å; L1399-L1705 HydrophobicContact CD2-CD1 3.75Å
1400R60.8Low54.8Low118 Ų11864.8 Ų64.845%0.44531%0.307SS..Hα-helixtrans-68.7-44.8175.7-177.2-168.4-174.5-143.42.1112.8F1396 V1397 I1398 T1403 N1404F1396-R1400 WeakPolarHBondContact O-CB 3.38Å; F1396-R1400 PolarHBondContact O-N 3.16Å; V1397-R1400 PolarHBondContact O-N 2.78Å; I1398-R1400 VanDerWaalsContact C-N 3.27Å; I1398-R1400 PolarHBondContact O-N 3.09Å; R1400-T1403 PolarHBondContact O-OG1 3.46Å; R1400-N1404 WeakPolarHBondContact CG-ND2 3.44Å; R1400-N1404 WeakPolarHBondContact O-CB 3.39Å; R1400-N1404 PolarHBondContact O-N 3.48Å; R1400-N1404 PolarHBondContact O-ND2 2.99Å
1401E56.1Low55.1Low79 Ų7966 Ų6637%0.36932%0.317SS..Hα-helixtrans-62.1-48.1176.6-76.4-165.1168.400110.3R1330 V1397 I1398 K1405R1330-E1401 IonicContact CZ-OE1 2.69Å; R1330-E1401 IonicContact NE-OE1 2.78Å; R1330-E1401 IonicContact NE-OE2 3.86Å; R1330-E1401 IonicContact NH2-OE1 3.21Å; R1330-E1401 PolarHBondContact NH2-OE1 3.47Å; R1330-E1401 IonicContact NH2-OE2 3.81Å; V1397-E1401 PolarHBondContact O-N 2.99Å; I1398-E1401 PolarHBondContact O-N 3.27Å; E1401-K1405 VanDerWaalsContact O-CB 3.22Å; E1401-K1405 WeakPolarHBondContact O-CB 3.34Å; E1401-K1405 PolarHBondContact O-N 2.76Å
1402V51.6Low55.4Low45 Ų4564.3 Ų64.327%0.27331%0.313SS..Hα-helixtrans-63-49.7179.7171.70000111.5I1398 K1405 L1406 I1703I1398-V1402 HydrophobicContact CG2-CG2 4.21Å; I1398-V1402 WeakPolarHBondContact O-CB 3.08Å; I1398-V1402 VanDerWaalsContact O-CG2 3.28Å; I1398-V1402 WeakPolarHBondContact O-CG2 3.37Å; I1398-V1402 PolarHBondContact O-N 3.01Å; V1402-K1405 PolarHBondContact O-N 3.15Å; V1402-L1406 HydrophobicContact CG1-CD1 3.67Å; V1402-L1406 HydrophobicContact CG1-CG 4.38Å; V1402-L1406 WeakPolarHBondContact O-CB 3.25Å; V1402-L1406 WeakPolarHBondContact O-CG 3.22Å; V1402-L1406 PolarHBondContact O-N 2.83Å; V1402-I1703 HydrophobicContact CG1-CD1 4.09Å
1403T53.4Low56.1Low2 Ų265.5 Ų65.51%0.01232%0.321CS..Hα-helixtrans-69.8-34.4-178.553.20000113.5L1399 R1400 F1407 F1414 F1574 L1596 I1703L1399-T1403 WeakPolarHBondContact O-CB 3.36Å; L1399-T1403 VanDerWaalsContact O-CG2 3.31Å; L1399-T1403 WeakPolarHBondContact O-CG2 3.45Å; L1399-T1403 PolarHBondContact O-N 3.33Å; L1399-T1403 PolarHBondContact O-OG1 3.45Å; R1400-T1403 PolarHBondContact O-OG1 3.46Å; T1403-F1407 HydrophobicContact CG2-CD2 4.21Å; T1403-F1407 HydrophobicContact CG2-CE2 4.47Å; T1403-F1407 WeakPolarHBondContact O-CA 3.4Å; T1403-F1407 WeakPolarHBondContact O-CB 3.48Å; T1403-F1407 PolarHBondContact O-N 3.44Å; T1403-F1414 HydrophobicContact CG2-CD1 4.4Å; T1403-F1414 HydrophobicContact CG2-CE1 4.06Å; T1403-F1574 HydrophobicContact CG2-CZ 4.02Å; T1403-F1574 VanDerWaalsContact OG1-CZ 3.27Å; T1403-F1574 WeakPolarHBondContact OG1-CZ 3.42Å; T1403-L1596 HydrophobicContact CG2-CD2 4.45Å; T1403-I1703 HydrophobicContact CG2-CD1 4.46Å
1404N59.1Low56.6Low65 Ų6564.2 Ų64.235%0.34831%0.313SS..Hα-helixtrans-69.5-33.8172-77.3-58.9000112.7R1400 R1573R1400-N1404 WeakPolarHBondContact CG-ND2 3.44Å; R1400-N1404 WeakPolarHBondContact O-CB 3.39Å; R1400-N1404 PolarHBondContact O-N 3.48Å; R1400-N1404 PolarHBondContact O-ND2 2.99Å; N1404-R1573 PolarHBondContact OD1-NH2 2.65Å
1405K52.5Low57.3Low130 Ų13063.7 Ų63.757%0.56531%0.31SS*.Hα-helixtrans-72.6-37178.3-165.8172.7-179.5-179.10112E1401 V1402E1401-K1405 VanDerWaalsContact O-CB 3.22Å; E1401-K1405 WeakPolarHBondContact O-CB 3.34Å; E1401-K1405 PolarHBondContact O-N 2.76Å; V1402-K1405 PolarHBondContact O-N 3.15Å
1406L46.9Very low58.1Low104 Ų10462.7 Ų62.755%0.54531%0.305SS..Hα-helixtrans-89.1-43.9-179.7-64.6177.5000114.2V1402 I1703V1402-L1406 HydrophobicContact CG1-CD1 3.67Å; V1402-L1406 HydrophobicContact CG1-CG 4.38Å; V1402-L1406 WeakPolarHBondContact O-CB 3.25Å; V1402-L1406 WeakPolarHBondContact O-CG 3.22Å; V1402-L1406 PolarHBondContact O-N 2.83Å; L1406-I1703 HydrophobicContact CD1-CD1 4.49Å
1407F52.8Low58.6Low31 Ų3162.2 Ų62.214%0.13630%0.303CS..  trans-108.875.5-174.1-56.9-74.8000111.4T1403 S1409 I1412 F1414 R1573 L1651 Y1701 I1703T1403-F1407 HydrophobicContact CG2-CD2 4.21Å; T1403-F1407 HydrophobicContact CG2-CE2 4.47Å; T1403-F1407 WeakPolarHBondContact O-CA 3.4Å; T1403-F1407 WeakPolarHBondContact O-CB 3.48Å; T1403-F1407 PolarHBondContact O-N 3.44Å; F1407-S1409 PolarHBondContact O-N 2.72Å; F1407-I1412 HydrophobicContact CD1-CD1 4.04Å; F1407-F1414 HydrophobicContact CB-CZ 3.82Å; F1407-F1414 AromaticContact CD2-CE1 3.91Å; F1407-F1414 HydrophobicContact CD2-CE1 3.91Å; F1407-F1414 AromaticContact CD2-CZ 3.85Å; F1407-F1414 HydrophobicContact CD2-CZ 3.85Å; F1407-F1414 HydrophobicContact CE2-CE1 4.32Å; F1407-F1414 HydrophobicContact CG-CE1 4.37Å; F1407-F1414 AromaticContact CG-CZ 3.94Å; F1407-F1414 HydrophobicContact CG-CZ 3.94Å; F1407-R1573 PolarHBondContact O-NH1 3.04Å; F1407-L1651 HydrophobicContact CE2-CD1 3.91Å; F1407-L1651 HydrophobicContact CZ-CD1 4.17Å; F1407-L1651 HydrophobicContact CZ-CD2 4.17Å; F1407-Y1701 HydrophobicContact CE1-CD1 4.41Å; F1407-I1703 HydrophobicContact CE2-CD1 4.26Å
1408Q53Low59.2Low163 Ų16360.7 Ų60.776%0.76229%0.293SS*.  trans-70-11.6179.1-60.9-175.114.200113.9
1409S53.1Low59.9Low48 Ų4858.2 Ų58.234%0.33628%0.281SS..  trans-67.4139.6175.3178.50000112.2F1407 E1411 R1573F1407-S1409 PolarHBondContact O-N 2.72Å; S1409-E1411 VanDerWaalsContact C-N 3.32Å; S1409-E1411 PolarHBondContact OG-N 2.96Å; S1409-E1411 VanDerWaalsContact OG-N 3.1Å; S1409-R1573 PolarHBondContact O-NH1 3.42Å
1410K55.4Low60.8Low166 Ų16658.5 Ų58.572%0.72228%0.282SS*.SBendtrans-80.9-8.3171.7-74.5-161.2173.3-158.40113.9I1412K1410-I1412 PolarHBondContact O-N 3.42Å
1411E58Low61.2Low152 Ų15253 Ų5371%0.7126%0.261SS*.SBendtrans-92.49.5-170.5-58.6177.6153.200114.2S1409S1409-E1411 VanDerWaalsContact C-N 3.32Å; S1409-E1411 PolarHBondContact OG-N 2.96Å; S1409-E1411 VanDerWaalsContact OG-N 3.1Å
1412I60.7Low61.7Low40 Ų4050.1 Ų50.121%0.20525%0.25CC..EExtended strand (participates in β ladder)trans-115.1119.3-180-56.1176000109.3F1407 K1410 F1414 A1598F1407-I1412 HydrophobicContact CD1-CD1 4.04Å; K1410-I1412 PolarHBondContact O-N 3.42Å; I1412-F1414 HydrophobicContact CB-CE2 4.14Å; I1412-F1414 HydrophobicContact CB-CZ 4.17Å; I1412-F1414 HydrophobicContact CG2-CD1 4.49Å; I1412-F1414 HydrophobicContact CG2-CD2 4.38Å; I1412-F1414 HydrophobicContact CG2-CE1 3.98Å; I1412-F1414 HydrophobicContact CG2-CE2 3.84Å; I1412-F1414 HydrophobicContact CG2-CZ 3.61Å; I1412-F1414 WeakPolarHBondContact O-CE2 3.38Å; I1412-A1598 HydrophobicContact CG2-CB 3.75Å
1413S66.2Low62.7Low39 Ų3948.1 Ų48.127%0.27324%0.237SC..EExtended strand (participates in β ladder)trans-97.3133.9173-64.80000110.5R1573 A1598 L1599S1413-R1573 CarbonylContact C-O 3.55Å; S1413-A1598 CarbonylContact O-C 3.58Å; S1413-A1598 WeakPolarHBondContact O-CA 3.29Å; S1413-L1599 PolarHBondContact N-O 3.19Å; S1413-L1599 PolarHBondContact O-N 2.68Å
1414F68.7Low63.5Low2 Ų248.4 Ų48.41%0.00924%0.239CC..EExtended strand (participates in β ladder)trans-111108.5-173.7-61.9-91.9000111.3T1403 F1407 I1412 R1573 F1574 H1575 L1596 V1597 A1598 L1651T1403-F1414 HydrophobicContact CG2-CD1 4.4Å; T1403-F1414 HydrophobicContact CG2-CE1 4.06Å; F1407-F1414 HydrophobicContact CB-CZ 3.82Å; F1407-F1414 AromaticContact CD2-CE1 3.91Å; F1407-F1414 HydrophobicContact CD2-CE1 3.91Å; F1407-F1414 AromaticContact CD2-CZ 3.85Å; F1407-F1414 HydrophobicContact CD2-CZ 3.85Å; F1407-F1414 HydrophobicContact CE2-CE1 4.32Å; F1407-F1414 HydrophobicContact CG-CE1 4.37Å; F1407-F1414 AromaticContact CG-CZ 3.94Å; F1407-F1414 HydrophobicContact CG-CZ 3.94Å; I1412-F1414 HydrophobicContact CB-CE2 4.14Å; I1412-F1414 HydrophobicContact CB-CZ 4.17Å; I1412-F1414 HydrophobicContact CG2-CD1 4.49Å; I1412-F1414 HydrophobicContact CG2-CD2 4.38Å; I1412-F1414 HydrophobicContact CG2-CE1 3.98Å; I1412-F1414 HydrophobicContact CG2-CE2 3.84Å; I1412-F1414 HydrophobicContact CG2-CZ 3.61Å; I1412-F1414 WeakPolarHBondContact O-CE2 3.38Å; F1414-R1573 WeakPolarHBondContact CD2-O 3.2Å; F1414-R1573 PolarHBondContact N-O 2.86Å; F1414-F1574 HydrophobicContact CB-CD1 3.67Å; F1414-F1574 HydrophobicContact CB-CD2 3.99Å; F1414-F1574 HydrophobicContact CB-CE1 3.58Å; F1414-F1574 HydrophobicContact CB-CE2 3.89Å; F1414-F1574 HydrophobicContact CB-CG 3.88Å; F1414-F1574 HydrophobicContact CB-CZ 3.67Å; F1414-F1574 HydrophobicContact CD1-CZ 4.13Å; F1414-F1574 HydrophobicContact CD2-CD2 4.06Å; F1414-F1574 AromaticContact CD2-CE2 3.62Å; F1414-F1574 HydrophobicContact CD2-CE2 3.62Å; F1414-F1574 AromaticContact CD2-CZ 3.99Å; F1414-F1574 HydrophobicContact CD2-CZ 3.99Å; F1414-F1574 HydrophobicContact CE2-CE2 4.29Å; F1414-F1574 HydrophobicContact CG-CD2 4.29Å; F1414-F1574 HydrophobicContact CG-CE1 4.1Å; F1414-F1574 AromaticContact CG-CE2 3.79Å; F1414-F1574 HydrophobicContact CG-CE2 3.79Å; F1414-F1574 AromaticContact CG-CZ 3.68Å; F1414-F1574 HydrophobicContact CG-CZ 3.68Å; F1414-F1574 CarbonylContact O-C 3.45Å; F1414-F1574 VanDerWaalsContact O-CA 3.28Å; F1414-F1574 WeakPolarHBondContact O-CA 3.48Å; F1414-H1575 PolarHBondContact O-N 3.45Å; F1414-L1596 HydrophobicContact CB-CD1 4.18Å; F1414-V1597 CarbonylContact C-O 3.47Å; F1414-V1597 WeakPolarHBondContact CA-O 3.48Å; F1414-A1598 HydrophobicContact CD1-CB 3.95Å; F1414-A1598 HydrophobicContact CE1-CB 4.06Å; F1414-L1651 HydrophobicContact CD1-CD1 3.77Å; F1414-L1651 HydrophobicContact CE1-CD1 3.52Å
1415F67.7Low64Low15 Ų1547.3 Ų47.37%0.06623%0.231CC..EExtended strand (participates in β ladder)trans-91.3114.7176.7-63.7-96.7000110Y1417 P1496 H1575 R1577 V1597 L1599F1415-Y1417 HydrophobicContact CB-CD2 4.39Å; F1415-Y1417 HydrophobicContact CB-CE2 3.79Å; F1415-P1496 HydrophobicContact CE2-CG 4.31Å; F1415-P1496 HydrophobicContact CZ-CG 4.18Å; F1415-H1575 CarbonylContact C-O 3.57Å; F1415-H1575 WeakPolarHBondContact CA-O 3.22Å; F1415-H1575 HydrophobicContact CD1-CB 3.67Å; F1415-H1575 HydrophobicContact CE1-CB 3.91Å; F1415-H1575 AromaticContact CE1-CD2 3.56Å; F1415-H1575 AromaticContact CE2-CD2 3.96Å; F1415-H1575 HydrophobicContact CG-CB 4.29Å; F1415-H1575 AromaticContact CZ-CD2 3.52Å; F1415-R1577 HydrophobicContact CD1-CG 4.27Å; F1415-V1597 HydrophobicContact CB-CB 4.27Å; F1415-V1597 PolarHBondContact N-O 3.47Å; F1415-V1597 PolarHBondContact O-N 2.85Å; F1415-L1599 HydrophobicContact CD2-CB 4.26Å; F1415-L1599 HydrophobicContact CE2-CB 3.83Å; F1415-L1599 HydrophobicContact CE2-CD2 4.08Å
1416L73.6Confident65Low6 Ų641.1 Ų41.13%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-96.6106.9170-170.677.2000109.1F1396 V1418 H1575 L1576 R1577 F1594 L1596F1396-L1416 HydrophobicContact CD1-CD2 4Å; F1396-L1416 HydrophobicContact CE1-CD2 3.19Å; F1396-L1416 HydrophobicContact CZ-CD2 3.65Å; L1416-V1418 HydrophobicContact CD2-CG2 3.7Å; L1416-V1418 HydrophobicContact CG-CG2 3.83Å; L1416-H1575 PolarHBondContact N-O 3.27Å; L1416-L1576 HydrophobicContact CD2-CD1 4.25Å; L1416-R1577 PolarHBondContact O-N 2.91Å; L1416-F1594 HydrophobicContact CD1-CB 4.2Å; L1416-F1594 HydrophobicContact CD1-CD2 4.04Å; L1416-L1596 HydrophobicContact CB-CD1 4.3Å; L1416-L1596 HydrophobicContact CD1-CB 3.8Å; L1416-L1596 HydrophobicContact CD1-CD1 4.03Å; L1416-L1596 HydrophobicContact CD1-CG 4.5Å
1417Y70.5Confident66.1Low6 Ų636.3 Ų36.32%0.02418%0.179CC..EExtended strand (participates in β ladder)trans-81128.5171-64.1-89.9000109.2F1415 P1496 E1525 R1577 T1579 F1594 Q1595 V1597F1415-Y1417 HydrophobicContact CB-CD2 4.39Å; F1415-Y1417 HydrophobicContact CB-CE2 3.79Å; Y1417-P1496 PolarHBondContact OH-O 3.15Å; Y1417-E1525 HydrophobicContact CE1-CG 4.45Å; Y1417-E1525 WeakPolarHBondContact CE1-OE1 3.36Å; Y1417-R1577 CarbonylContact C-O 3.57Å; Y1417-R1577 VanDerWaalsContact CA-O 3.31Å; Y1417-R1577 WeakPolarHBondContact CA-O 3.26Å; Y1417-R1577 HydrophobicContact CD1-CB 3.84Å; Y1417-R1577 HydrophobicContact CE1-CB 4.02Å; Y1417-R1577 HydrophobicContact CE1-CG 4.37Å; Y1417-T1579 HydrophobicContact CD1-CG2 4.1Å; Y1417-F1594 CarbonylContact O-C 3.54Å; Y1417-F1594 VanDerWaalsContact O-CA 3.26Å; Y1417-F1594 WeakPolarHBondContact O-CA 3.21Å; Y1417-Q1595 PolarHBondContact N-O 3.11Å; Y1417-Q1595 PolarHBondContact O-N 2.95Å; Y1417-V1597 HydrophobicContact CD2-CB 4.41Å; Y1417-V1597 HydrophobicContact CD2-CG2 3.91Å; Y1417-V1597 HydrophobicContact CE2-CB 4.04Å; Y1417-V1597 HydrophobicContact CE2-CG2 3.78Å
1418V71.7Confident67Low3 Ų335.1 Ų35.12%0.01817%0.174CC..EExtended strand (participates in β ladder)trans-130.9141.5-179.6-177.20000111L1416 L1558 L1576 R1577 F1578 T1579 L1592 I1593 F1594L1416-V1418 HydrophobicContact CD2-CG2 3.7Å; L1416-V1418 HydrophobicContact CG-CG2 3.83Å; V1418-L1558 HydrophobicContact CG1-CD2 3.81Å; V1418-L1576 HydrophobicContact CB-CD1 4.22Å; V1418-L1576 HydrophobicContact CG2-CD1 3.56Å; V1418-R1577 PolarHBondContact N-O 3.13Å; V1418-F1578 HydrophobicContact CB-CD1 4.34Å; V1418-F1578 HydrophobicContact CB-CE1 4.46Å; V1418-F1578 WeakPolarHBondContact O-CA 3.46Å; V1418-T1579 PolarHBondContact O-N 3.49Å; V1418-L1592 HydrophobicContact CG1-CD1 3.65Å; V1418-L1592 HydrophobicContact CG1-CD2 4.38Å; V1418-L1592 HydrophobicContact CG1-CG 4.09Å; V1418-I1593 WeakPolarHBondContact CA-O 3.33Å; V1418-F1594 HydrophobicContact CG2-CB 4.25Å
1419N71Confident67.9Low1 Ų131.5 Ų31.51%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-145.7151.8174.2-167.210.2000110.6I1424 T1579 P1580 L1582 I1593N1419-I1424 WeakPolarHBondContact ND2-CD1 3.4Å; N1419-I1424 VanDerWaalsContact ND2-CG1 3.29Å; N1419-I1424 WeakPolarHBondContact ND2-CG1 3.47Å; N1419-T1579 VanDerWaalsContact CB-O 3.32Å; N1419-T1579 WeakPolarHBondContact CB-O 2.98Å; N1419-T1579 PolarHBondContact ND2-O 3.21Å; N1419-T1579 VanDerWaalsContact ND2-O 3.14Å; N1419-P1580 PolarHBondContact ND2-O 3.06Å; N1419-L1582 HydrophobicContact CB-CB 3.74Å; N1419-L1582 HydrophobicContact CB-CD1 3.76Å; N1419-L1582 HydrophobicContact CB-CG 4.39Å; N1419-I1593 PolarHBondContact N-O 3.49Å; N1419-I1593 PolarHBondContact O-N 3.2Å
1420H73.4Confident68.7Low14 Ų1430.6 Ų30.67%0.06515%0.147CC..EExtended strand (participates in β ladder)trans-112.7138176.4-172.5-111000110.1S1422 L1423 A1554 L1558 G1591H1420-S1422 PolarHBondContact O-N 3.48Å; H1420-L1423 PolarHBondContact O-N 3.24Å; H1420-A1554 HydrophobicContact CB-CB 4.17Å; H1420-L1558 HydrophobicContact CB-CD1 4.15Å; H1420-L1558 HydrophobicContact CB-CG 4.45Å; H1420-G1591 PolarHBondContact CD2-O 2.94Å
1421T69.1Low69.1Low1 Ų123.4 Ų23.41%0.00612%0.117CC..Hα-helixtrans-55.3-28.7-175.448.80000113.8L1423 I1424 K1425 G1591 I1593T1421-L1423 PolarHBondContact O-N 3.36Å; T1421-I1424 PolarHBondContact O-N 2.94Å; T1421-K1425 WeakPolarHBondContact O-CG 3.08Å; T1421-K1425 PolarHBondContact O-N 3.13Å; T1421-G1591 WeakPolarHBondContact CG2-O 3.43Å; T1421-G1591 PolarHBondContact N-O 2.89Å; T1421-G1591 VanDerWaalsContact N-O 3.14Å; T1421-G1591 PolarHBondContact OG1-N 2.97Å; T1421-G1591 PolarHBondContact OG1-O 2.89Å; T1421-G1591 VanDerWaalsContact OG1-O 3.12Å; T1421-I1593 HydrophobicContact CG2-CD1 4.11Å
1422S67.6Low69.4Low20 Ų2019.2 Ų19.214%0.1412%0.115CC..Hα-helixtrans-67-28.8175.1-640000114.5H1420 K1425 A1426 L1550H1420-S1422 PolarHBondContact O-N 3.48Å; S1422-K1425 PolarHBondContact O-N 2.92Å; S1422-A1426 WeakPolarHBondContact O-CB 3.1Å; S1422-A1426 PolarHBondContact O-N 3.42Å; S1422-L1550 WeakPolarHBondContact CB-O 3.15Å
1423L72.7Confident69.5Low2 Ų218.5 Ų18.51%0.0111%0.111CC..Hα-helixtrans-68.8-40.1170.8-67.5179.8000111.1H1420 T1421 A1426 L1427 I1529 F1536 V1551 A1554 L1558H1420-L1423 PolarHBondContact O-N 3.24Å; T1421-L1423 PolarHBondContact O-N 3.36Å; L1423-A1426 PolarHBondContact O-N 3.15Å; L1423-L1427 WeakPolarHBondContact O-CB 3.44Å; L1423-L1427 PolarHBondContact O-N 3.4Å; L1423-I1529 HydrophobicContact CD1-CD1 4.5Å; L1423-F1536 WeakPolarHBondContact O-CE1 3.13Å; L1423-V1551 HydrophobicContact CD2-CG1 4.42Å; L1423-A1554 HydrophobicContact CD2-CB 3.81Å; L1423-A1554 HydrophobicContact CG-CB 3.71Å; L1423-L1558 HydrophobicContact CD1-CD1 3.72Å
1424I69.9Low69.4Low8 Ų823.6 Ų23.64%0.04113%0.131CC..Hα-helixtrans-65.4-42.6174.8-51.5177.6000110.4N1419 T1421 A1426 L1427 F1428 H1586 I1593N1419-I1424 WeakPolarHBondContact ND2-CD1 3.4Å; N1419-I1424 VanDerWaalsContact ND2-CG1 3.29Å; N1419-I1424 WeakPolarHBondContact ND2-CG1 3.47Å; T1421-I1424 PolarHBondContact O-N 2.94Å; I1424-A1426 VanDerWaalsContact C-N 3.31Å; I1424-A1426 PolarHBondContact O-N 3.48Å; I1424-L1427 PolarHBondContact O-N 3.34Å; I1424-F1428 HydrophobicContact CG2-CD2 4.28Å; I1424-F1428 HydrophobicContact CG2-CE2 4.02Å; I1424-F1428 HydrophobicContact CG2-CZ 4.34Å; I1424-F1428 PolarHBondContact O-N 3.18Å; I1424-H1586 HydrophobicContact CB-CB 4.41Å; I1424-H1586 HydrophobicContact CG2-CB 3.71Å; I1424-I1593 HydrophobicContact CD1-CD1 4.12Å
1425K69.7Low69Low43 Ų4327.7 Ų27.719%0.18716%0.16CC..Hα-helixtrans-58.5-41.6173-73.6163.5-175.9170.60111.2T1421 S1422 K1429 L1550 Y1589 N1590T1421-K1425 WeakPolarHBondContact O-CG 3.08Å; T1421-K1425 PolarHBondContact O-N 3.13Å; S1422-K1425 PolarHBondContact O-N 2.92Å; K1425-K1429 WeakPolarHBondContact O-CB 3.31Å; K1425-K1429 PolarHBondContact O-N 2.65Å; K1425-K1429 VanDerWaalsContact O-N 3.16Å; K1425-L1550 HydrophobicContact CB-CD1 4.35Å; K1425-Y1589 PolarHBondContact NZ-O 2.8Å; K1425-N1590 PolarHBondContact NZ-OD1 3.32Å
1426A72.7Confident68.4Low0 Ų030 Ų300%019%0.187CC..Hα-helixtrans-66.4-42.3174.100000112.6S1422 L1423 I1424 F1428 K1429 L1430 F1536 I1547 L1550 V1551S1422-A1426 WeakPolarHBondContact O-CB 3.1Å; S1422-A1426 PolarHBondContact O-N 3.42Å; L1423-A1426 PolarHBondContact O-N 3.15Å; I1424-A1426 VanDerWaalsContact C-N 3.31Å; I1424-A1426 PolarHBondContact O-N 3.48Å; A1426-F1428 PolarHBondContact O-N 3.42Å; A1426-K1429 PolarHBondContact O-N 3.47Å; A1426-K1429 VanDerWaalsContact O-N 3.16Å; A1426-L1430 WeakPolarHBondContact O-CB 3.07Å; A1426-L1430 WeakPolarHBondContact O-CG 3.48Å; A1426-L1430 PolarHBondContact O-N 3.45Å; A1426-F1536 HydrophobicContact CB-CD1 3.9Å; A1426-F1536 HydrophobicContact CB-CE1 3.81Å; A1426-I1547 HydrophobicContact CB-CG2 4.36Å; A1426-L1550 HydrophobicContact CB-CB 4.42Å; A1426-V1551 HydrophobicContact CB-CG2 3.7Å
1427L70.7Confident67.7Low3 Ų332.2 Ų32.22%0.01620%0.203CC..Hα-helixtrans-60.2-47.8179.4177.562.9000111.6L1423 I1424 K1429 L1430 S1431 F1518 I1521 I1522 F1536 P1580L1423-L1427 WeakPolarHBondContact O-CB 3.44Å; L1423-L1427 PolarHBondContact O-N 3.4Å; I1424-L1427 PolarHBondContact O-N 3.34Å; L1427-K1429 VanDerWaalsContact C-N 3.32Å; L1427-K1429 PolarHBondContact O-N 2.97Å; L1427-L1430 PolarHBondContact O-N 3.21Å; L1427-S1431 VanDerWaalsContact O-CB 3.29Å; L1427-S1431 WeakPolarHBondContact O-CB 3.03Å; L1427-S1431 PolarHBondContact O-N 2.77Å; L1427-S1431 PolarHBondContact O-OG 3.03Å; L1427-F1518 HydrophobicContact CD1-CD2 3.93Å; L1427-F1518 HydrophobicContact CD1-CE2 4.35Å; L1427-F1518 HydrophobicContact CD2-CD2 4.42Å; L1427-F1518 HydrophobicContact CD2-CE2 4.05Å; L1427-F1518 HydrophobicContact CG-CD2 4.04Å; L1427-F1518 HydrophobicContact CG-CE2 3.96Å; L1427-I1521 HydrophobicContact CD1-CB 3.73Å; L1427-I1521 HydrophobicContact CD1-CD1 4.32Å; L1427-I1521 HydrophobicContact CD1-CG2 3.62Å; L1427-I1522 HydrophobicContact CD2-CB 4.34Å; L1427-I1522 HydrophobicContact CD2-CG1 4.14Å; L1427-F1536 HydrophobicContact CB-CE1 4.04Å; L1427-F1536 HydrophobicContact CB-CZ 4.06Å; L1427-F1536 HydrophobicContact CD1-CZ 4.48Å; L1427-P1580 HydrophobicContact CD2-CB 4.47Å
1428F71Confident67.4Low6 Ų634.3 Ų34.33%0.02621%0.211CC..Hα-helixtrans-64.9-34.6176.2-71.1-23.5000112.5I1424 A1426 S1431 G1432 I1433 R1438 F1518 H1586I1424-F1428 HydrophobicContact CG2-CD2 4.28Å; I1424-F1428 HydrophobicContact CG2-CE2 4.02Å; I1424-F1428 HydrophobicContact CG2-CZ 4.34Å; I1424-F1428 PolarHBondContact O-N 3.18Å; A1426-F1428 PolarHBondContact O-N 3.42Å; F1428-S1431 PolarHBondContact O-N 3.32Å; F1428-G1432 PolarHBondContact O-N 3.38Å; F1428-I1433 HydrophobicContact CB-CB 4.41Å; F1428-I1433 HydrophobicContact CD1-CD1 3.89Å; F1428-I1433 HydrophobicContact CE1-CD1 4.32Å; F1428-I1433 PolarHBondContact O-N 2.92Å; F1428-R1438 HydrophobicContact CB-CG 4.31Å; F1428-R1438 HydrophobicContact CD2-CB 4.07Å; F1428-R1438 HydrophobicContact CD2-CG 3.75Å; F1428-R1438 HydrophobicContact CE2-CB 3.99Å; F1428-R1438 HydrophobicContact CE2-CG 4.17Å; F1428-R1438 HydrophobicContact CG-CG 4.12Å; F1428-F1518 HydrophobicContact CD1-CE2 4.21Å; F1428-F1518 HydrophobicContact CE1-CE2 4.27Å; F1428-F1518 HydrophobicContact CE1-CZ 4.31Å; F1428-H1586 HydrophobicContact CD2-CB 4.04Å; F1428-H1586 AromaticContact CD2-CD2 3.69Å; F1428-H1586 AromaticContact CD2-CG 3.5Å; F1428-H1586 AromaticContact CD2-ND1 3.89Å; F1428-H1586 HydrophobicContact CE2-CB 3.69Å; F1428-H1586 AromaticContact CE2-CE1 3.98Å; F1428-H1586 AromaticContact CE2-CG 3.48Å; F1428-H1586 VanDerWaalsContact CE2-CG 3.48Å; F1428-H1586 AromaticContact CE2-ND1 3.73Å
1429K72.2Confident66.6Low87 Ų8736 Ų3638%0.37823%0.226SC..Hα-helixtrans-71.8-39.9176.7-161.5169-178.8176.30112.5K1425 A1426 L1427 S1431 G1432 I1547K1425-K1429 WeakPolarHBondContact O-CB 3.31Å; K1425-K1429 PolarHBondContact O-N 2.65Å; K1425-K1429 VanDerWaalsContact O-N 3.16Å; A1426-K1429 PolarHBondContact O-N 3.47Å; A1426-K1429 VanDerWaalsContact O-N 3.16Å; L1427-K1429 VanDerWaalsContact C-N 3.32Å; L1427-K1429 PolarHBondContact O-N 2.97Å; K1429-S1431 VanDerWaalsContact C-N 3.26Å; K1429-S1431 PolarHBondContact O-N 2.97Å; K1429-G1432 PolarHBondContact O-N 3.21Å; K1429-I1547 HydrophobicContact CB-CD1 4.32Å; K1429-I1547 HydrophobicContact CB-CG1 4.31Å; K1429-I1547 HydrophobicContact CD-CD1 4.36Å; K1429-I1547 HydrophobicContact CD-CG1 3.84Å; K1429-I1547 HydrophobicContact CG-CD1 4.02Å; K1429-I1547 HydrophobicContact CG-CG1 4.03Å
1430L69.3Low66Low29 Ų2939.9 Ų39.915%0.15225%0.249CC..Hα-helixtrans-63-32172.2-75.1171.4000113.1A1426 L1427 I1521 F1536 S1540 I1547A1426-L1430 WeakPolarHBondContact O-CB 3.07Å; A1426-L1430 WeakPolarHBondContact O-CG 3.48Å; A1426-L1430 PolarHBondContact O-N 3.45Å; L1427-L1430 PolarHBondContact O-N 3.21Å; L1430-I1521 HydrophobicContact CD1-CD1 4.37Å; L1430-F1536 HydrophobicContact CD1-CB 4.25Å; L1430-F1536 HydrophobicContact CD1-CD1 3.47Å; L1430-F1536 VanDerWaalsContact CD1-CD1 3.47Å; L1430-F1536 HydrophobicContact CD1-CE1 4.06Å; L1430-F1536 HydrophobicContact CD1-CG 4.04Å; L1430-S1540 VanDerWaalsContact CD2-CA 3.5Å; L1430-S1540 VanDerWaalsContact CD2-CB 3.49Å; L1430-I1547 HydrophobicContact CD2-CD1 3.86Å; L1430-I1547 HydrophobicContact CD2-CG2 4.1Å; L1430-I1547 HydrophobicContact CG-CD1 4.19Å; L1430-I1547 HydrophobicContact CG-CG2 4.16Å
1431S64.4Low65.5Low15 Ų1540.7 Ų40.711%0.10526%0.255CS..THydrogen-bonded Turntrans-90.91.8-175.5-52.60000113.5L1427 F1428 K1429 I1433 F1518L1427-S1431 VanDerWaalsContact O-CB 3.29Å; L1427-S1431 WeakPolarHBondContact O-CB 3.03Å; L1427-S1431 PolarHBondContact O-N 2.77Å; L1427-S1431 PolarHBondContact O-OG 3.03Å; F1428-S1431 PolarHBondContact O-N 3.32Å; K1429-S1431 VanDerWaalsContact C-N 3.26Å; K1429-S1431 PolarHBondContact O-N 2.97Å; S1431-I1433 VanDerWaalsContact C-N 3.28Å; S1431-I1433 PolarHBondContact O-N 3.02Å; S1431-F1518 WeakPolarHBondContact OG-CB 2.94Å; S1431-F1518 WeakPolarHBondContact OG-CD2 3.46Å
1432G63.9Low65.1Low63 Ų6342 Ų4265%0.64926%0.26SS*.THydrogen-bonded Turntrans71.515.9179.100000114.9F1428 K1429 Q1434F1428-G1432 PolarHBondContact O-N 3.38Å; K1429-G1432 PolarHBondContact O-N 3.21Å; G1432-Q1434 PolarHBondContact O-N 3.46Å
1433I64.3Low64.4Low25 Ų2548 Ų4813%0.12828%0.279CS..  trans-79.3108.4-174.2-54.3-178.7000109.2F1428 S1431 R1438 V1441 F1518F1428-I1433 HydrophobicContact CB-CB 4.41Å; F1428-I1433 HydrophobicContact CD1-CD1 3.89Å; F1428-I1433 HydrophobicContact CE1-CD1 4.32Å; F1428-I1433 PolarHBondContact O-N 2.92Å; S1431-I1433 VanDerWaalsContact C-N 3.28Å; S1431-I1433 PolarHBondContact O-N 3.02Å; I1433-R1438 HydrophobicContact CB-CG 4.36Å; I1433-R1438 HydrophobicContact CG2-CG 3.66Å; I1433-R1438 PolarHBondContact O-NE 3.08Å; I1433-R1438 PolarHBondContact O-NH2 2.71Å; I1433-V1441 HydrophobicContact CD1-CG1 4.04Å; I1433-V1441 HydrophobicContact CD1-CG2 4.35Å; I1433-V1441 HydrophobicContact CG2-CG2 4.2Å; I1433-F1518 HydrophobicContact CD1-CE1 4.32Å; I1433-F1518 HydrophobicContact CD1-CE2 4.08Å; I1433-F1518 HydrophobicContact CD1-CZ 3.9Å
1434Q62.7Low63.6Low147 Ų14750.6 Ų50.669%0.68729%0.291SS*.  trans-57.1146.6176.5-68.8-173.4-14.200111.2G1432 G1436 S1437 R1438G1432-Q1434 PolarHBondContact O-N 3.46Å; Q1434-G1436 PolarHBondContact O-N 3.02Å; Q1434-S1437 PolarHBondContact O-N 2.9Å; Q1434-R1438 WeakPolarHBondContact O-CG 3.35Å; Q1434-R1438 PolarHBondContact O-N 2.83Å
1435S60.4Low62.9Low88 Ų8850.4 Ų50.462%0.61529%0.29SS*.THydrogen-bonded Turntrans-47.8-51.7-174.236.70000113.5S1437 R1438S1435-S1437 VanDerWaalsContact C-N 3.34Å; S1435-S1437 PolarHBondContact O-N 2.89Å; S1435-R1438 WeakPolarHBondContact O-CB 3.48Å; S1435-R1438 PolarHBondContact O-N 3.17Å
1436G56.1Low62Low62 Ų6248.5 Ų48.564%0.63928%0.282SS*.THydrogen-bonded Turntrans-60.8-37.2179.200000113.9Q1434 R1438Q1434-G1436 PolarHBondContact O-N 3.02Å; G1436-R1438 VanDerWaalsContact C-N 3.27Å; G1436-R1438 PolarHBondContact O-N 2.73Å
1437S59Low60.9Low53 Ų5352.5 Ų52.537%0.37130%0.301SS..Hα-helixtrans-74.6-12.4-179.4-44.40000114.1Q1434 S1435 A1439 T1440 V1441Q1434-S1437 PolarHBondContact O-N 2.9Å; S1435-S1437 VanDerWaalsContact C-N 3.34Å; S1435-S1437 PolarHBondContact O-N 2.89Å; S1437-A1439 VanDerWaalsContact C-N 3.34Å; S1437-A1439 PolarHBondContact O-N 3.38Å; S1437-T1440 PolarHBondContact O-N 3.01Å; S1437-V1441 WeakPolarHBondContact O-CG2 3.32Å; S1437-V1441 PolarHBondContact O-N 2.82Å
1438R64.7Low59.9Low51 Ų5152.9 Ų52.919%0.19231%0.305CS..Hα-helixtrans-68.3-31.9-175.5-67.1172.5-1681686.1112.8F1428 I1433 Q1434 S1435 G1436 W1442 H1586F1428-R1438 HydrophobicContact CB-CG 4.31Å; F1428-R1438 HydrophobicContact CD2-CB 4.07Å; F1428-R1438 HydrophobicContact CD2-CG 3.75Å; F1428-R1438 HydrophobicContact CE2-CB 3.99Å; F1428-R1438 HydrophobicContact CE2-CG 4.17Å; F1428-R1438 HydrophobicContact CG-CG 4.12Å; I1433-R1438 HydrophobicContact CB-CG 4.36Å; I1433-R1438 HydrophobicContact CG2-CG 3.66Å; I1433-R1438 PolarHBondContact O-NE 3.08Å; I1433-R1438 PolarHBondContact O-NH2 2.71Å; Q1434-R1438 WeakPolarHBondContact O-CG 3.35Å; Q1434-R1438 PolarHBondContact O-N 2.83Å; S1435-R1438 WeakPolarHBondContact O-CB 3.48Å; S1435-R1438 PolarHBondContact O-N 3.17Å; G1436-R1438 VanDerWaalsContact C-N 3.27Å; G1436-R1438 PolarHBondContact O-N 2.73Å; R1438-W1442 WeakPolarHBondContact O-CB 3.45Å; R1438-W1442 PolarHBondContact O-N 2.87Å; R1438-H1586 WeakPolarHBondContact CD-NE2 3.49Å
1439A54.9Low58.8Low39 Ų3954.1 Ų54.132%0.32231%0.311SS..Hα-helixtrans-64.9-45.317400000111.3S1437 W1442 R1443 H1587S1437-A1439 VanDerWaalsContact C-N 3.34Å; S1437-A1439 PolarHBondContact O-N 3.38Å; A1439-W1442 PolarHBondContact O-N 2.99Å; A1439-R1443 PolarHBondContact O-N 3.31Å; A1439-H1587 VanDerWaalsContact CA-CE1 3.46Å; A1439-H1587 WeakPolarHBondContact CA-CE1 3.39Å; A1439-H1587 WeakPolarHBondContact CB-NE2 3.26Å
1440T58.2Low57.4Low81 Ų8151 Ų5150%0.49730%0.303SS..Hα-helixtrans-64.5-48.9178.7-36.70000111.6S1437 W1442 R1443 H1444S1437-T1440 PolarHBondContact O-N 3.01Å; T1440-W1442 PolarHBondContact O-N 3.4Å; T1440-R1443 PolarHBondContact O-N 3.27Å; T1440-H1444 PolarHBondContact O-N 3.27Å; T1440-H1444 PolarHBondContact O-ND1 3.1Å
1441V61.1Low56Low31 Ų3152.7 Ų52.719%0.18831%0.312CS..Hα-helixtrans-63.5-41.3177.1176.50000111I1433 S1437 R1443 H1444 L1445 F1518I1433-V1441 HydrophobicContact CD1-CG1 4.04Å; I1433-V1441 HydrophobicContact CD1-CG2 4.35Å; I1433-V1441 HydrophobicContact CG2-CG2 4.2Å; S1437-V1441 WeakPolarHBondContact O-CG2 3.32Å; S1437-V1441 PolarHBondContact O-N 2.82Å; V1441-R1443 PolarHBondContact O-N 3.2Å; V1441-H1444 PolarHBondContact O-N 3.22Å; V1441-L1445 HydrophobicContact CG1-CD1 3.97Å; V1441-L1445 HydrophobicContact CG1-CG 4.32Å; V1441-L1445 VanDerWaalsContact O-CG 3.29Å; V1441-L1445 WeakPolarHBondContact O-CG 3.35Å; V1441-L1445 PolarHBondContact O-N 3.49Å; V1441-L1445 VanDerWaalsContact O-N 3.09Å; V1441-F1518 HydrophobicContact CG1-CE1 4.25Å; V1441-F1518 HydrophobicContact CG1-CZ 4.02Å
1442W60.9Low54.9Low30 Ų3055.2 Ų55.211%0.11433%0.327CS..Hα-helixtrans-58.1-48.7174.3172.275.3000111.8R1438 A1439 T1440 H1444 L1445 S1446 V1583 P1585R1438-W1442 WeakPolarHBondContact O-CB 3.45Å; R1438-W1442 PolarHBondContact O-N 2.87Å; A1439-W1442 PolarHBondContact O-N 2.99Å; T1440-W1442 PolarHBondContact O-N 3.4Å; W1442-H1444 VanDerWaalsContact C-N 3.31Å; W1442-H1444 PolarHBondContact O-N 2.76Å; W1442-L1445 PolarHBondContact O-N 3.31Å; W1442-L1445 VanDerWaalsContact O-N 3.13Å; W1442-S1446 VanDerWaalsContact CZ2-CB 3.48Å; W1442-S1446 WeakPolarHBondContact CZ2-OG 3.47Å; W1442-S1446 PolarHBondContact O-N 2.95Å; W1442-V1583 PolarHBondContact NE1-O 3.49Å; W1442-P1585 HydrophobicContact CD2-CB 3.47Å; W1442-P1585 VanDerWaalsContact CD2-CB 3.47Å; W1442-P1585 HydrophobicContact CD2-CG 3.78Å; W1442-P1585 HydrophobicContact CE3-CB 3.72Å; W1442-P1585 HydrophobicContact CE3-CG 3.98Å; W1442-P1585 HydrophobicContact CG-CB 3.83Å; W1442-P1585 HydrophobicContact CH2-CB 4.48Å; W1442-P1585 HydrophobicContact CH2-CG 3.82Å; W1442-P1585 HydrophobicContact CZ2-CB 4.28Å; W1442-P1585 VanDerWaalsContact CZ2-CD 3.48Å; W1442-P1585 HydrophobicContact CZ2-CG 3.6Å; W1442-P1585 HydrophobicContact CZ3-CB 4.22Å; W1442-P1585 HydrophobicContact CZ3-CG 3.98Å
1443R53.3Low53.5Low144 Ų14458 Ų5854%0.54332%0.322SS..Hα-helixtrans-53.5-49-179.2175.8-177.4167.1137.410.9111.4A1439 T1440 V1441 L1445 S1446 E1447A1439-R1443 PolarHBondContact O-N 3.31Å; T1440-R1443 PolarHBondContact O-N 3.27Å; V1441-R1443 PolarHBondContact O-N 3.2Å; R1443-L1445 VanDerWaalsContact C-N 3.33Å; R1443-L1445 PolarHBondContact O-N 2.85Å; R1443-S1446 WeakPolarHBondContact O-CB 3.23Å; R1443-S1446 PolarHBondContact O-N 3.49Å; R1443-E1447 HydrophobicContact CG-CG 4.5Å; R1443-E1447 IonicContact CZ-OE1 2.65Å; R1443-E1447 IonicContact NE-OE1 3.92Å; R1443-E1447 PolarHBondContact NE-OE1 3.23Å; R1443-E1447 IonicContact NE-OE2 3.54Å; R1443-E1447 IonicContact NH2-OE1 3.21Å; R1443-E1447 PolarHBondContact NH2-OE1 2.73Å; R1443-E1447 WeakPolarHBondContact O-CG 3.5Å; R1443-E1447 PolarHBondContact O-N 3.3Å
1444H56.1Low52Low57 Ų5763.1 Ų63.126%0.26436%0.356SS..Hα-helixtrans-70.8-29.8-176.8-65.461000112.2T1440 V1441 W1442 A1448 Y1505T1440-H1444 PolarHBondContact O-N 3.27Å; T1440-H1444 PolarHBondContact O-ND1 3.1Å; V1441-H1444 PolarHBondContact O-N 3.22Å; W1442-H1444 VanDerWaalsContact C-N 3.31Å; W1442-H1444 PolarHBondContact O-N 2.76Å; H1444-A1448 WeakPolarHBondContact O-CB 3.28Å; H1444-A1448 PolarHBondContact O-N 2.88Å; H1444-A1448 VanDerWaalsContact O-N 3.1Å; H1444-Y1505 HydrophobicContact CB-CE1 4.03Å; H1444-Y1505 WeakPolarHBondContact CB-OH 3.24Å; H1444-Y1505 AromaticContact CD2-CE1 3.55Å; H1444-Y1505 AromaticContact CD2-CZ 3.48Å; H1444-Y1505 VanDerWaalsContact CD2-CZ 3.48Å; H1444-Y1505 PolarHBondContact CD2-OH 2.77Å; H1444-Y1505 AromaticContact CG-CZ 3.94Å; H1444-Y1505 VanDerWaalsContact CG-OH 3.31Å
1445L55Low50.7Low4 Ų460.3 Ų60.32%0.02135%0.349CS..Hα-helixtrans-71.4-34.8170.5-68.4172.1000112.5V1441 W1442 R1443 A1448 N1449 L1502 L1506 F1518 I1522 V1583V1441-L1445 HydrophobicContact CG1-CD1 3.97Å; V1441-L1445 HydrophobicContact CG1-CG 4.32Å; V1441-L1445 VanDerWaalsContact O-CG 3.29Å; V1441-L1445 WeakPolarHBondContact O-CG 3.35Å; V1441-L1445 PolarHBondContact O-N 3.49Å; V1441-L1445 VanDerWaalsContact O-N 3.09Å; W1442-L1445 PolarHBondContact O-N 3.31Å; W1442-L1445 VanDerWaalsContact O-N 3.13Å; R1443-L1445 VanDerWaalsContact C-N 3.33Å; R1443-L1445 PolarHBondContact O-N 2.85Å; L1445-A1448 PolarHBondContact O-N 3.44Å; L1445-N1449 PolarHBondContact O-N 3.11Å; L1445-L1502 HydrophobicContact CD2-CD2 3.33Å; L1445-L1506 HydrophobicContact CD2-CD1 4.36Å; L1445-F1518 HydrophobicContact CD1-CZ 3.97Å; L1445-I1522 HydrophobicContact CD1-CD1 3.65Å; L1445-I1522 HydrophobicContact CD2-CD1 3.84Å; L1445-I1522 HydrophobicContact CG-CD1 4.37Å; L1445-V1583 HydrophobicContact CB-CG1 3.5Å; L1445-V1583 VanDerWaalsContact CB-CG1 3.5Å; L1445-V1583 HydrophobicContact CB-CG2 4.38Å; L1445-V1583 HydrophobicContact CD1-CG1 4.25Å
1446S51.6Low49.2Very low3 Ų361.5 Ų61.52%0.02135%0.349CS..Hα-helixtrans-68.2-43174.6-167.50000111.2W1442 R1443 A1448 N1449 A1450W1442-S1446 VanDerWaalsContact CZ2-CB 3.48Å; W1442-S1446 WeakPolarHBondContact CZ2-OG 3.47Å; W1442-S1446 PolarHBondContact O-N 2.95Å; R1443-S1446 WeakPolarHBondContact O-CB 3.23Å; R1443-S1446 PolarHBondContact O-N 3.49Å; S1446-A1448 PolarHBondContact O-N 2.89Å; S1446-N1449 PolarHBondContact O-N 3Å; S1446-A1450 PolarHBondContact O-N 3.39Å
1447E49.2Very low48Very low85 Ų8564 Ų6440%0.39735%0.353SS..Hα-helixtrans-60.1-35.3172.9-72.4167161.800111.3R1443 A1450R1443-E1447 HydrophobicContact CG-CG 4.5Å; R1443-E1447 IonicContact CZ-OE1 2.65Å; R1443-E1447 IonicContact NE-OE1 3.92Å; R1443-E1447 PolarHBondContact NE-OE1 3.23Å; R1443-E1447 IonicContact NE-OE2 3.54Å; R1443-E1447 IonicContact NH2-OE1 3.21Å; R1443-E1447 PolarHBondContact NH2-OE1 2.73Å; R1443-E1447 WeakPolarHBondContact O-CG 3.5Å; R1443-E1447 PolarHBondContact O-N 3.3Å; E1447-A1450 PolarHBondContact O-N 3.03Å
1448A48.9Very low46.6Very low11 Ų1165.6 Ų65.69%0.09136%0.364CS..Hα-helixtrans-75.5-31.8177.400000114.3H1444 L1445 S1446 A1450 I1501 L1502 P1503H1444-A1448 WeakPolarHBondContact O-CB 3.28Å; H1444-A1448 PolarHBondContact O-N 2.88Å; H1444-A1448 VanDerWaalsContact O-N 3.1Å; L1445-A1448 PolarHBondContact O-N 3.44Å; S1446-A1448 PolarHBondContact O-N 2.89Å; A1448-A1450 PolarHBondContact O-N 3.38Å; A1448-I1501 VanDerWaalsContact CB-O 3.29Å; A1448-I1501 WeakPolarHBondContact CB-O 3.26Å; A1448-L1502 HydrophobicContact CB-CD2 4.47Å; A1448-P1503 HydrophobicContact CB-CG 3.72Å
1449N49.5Very low44.9Very low31 Ų3167.2 Ų67.217%0.16638%0.38CS..THydrogen-bonded Turntrans-68.6-10.8172.3-109.7-22.6000113.1L1445 S1446 L1500L1445-N1449 PolarHBondContact O-N 3.11Å; S1446-N1449 PolarHBondContact O-N 3Å; N1449-L1500 HydrophobicContact CB-CD2 4.45Å; N1449-L1500 WeakPolarHBondContact OD1-CD2 3.46Å
1450A42.1Very low43.6Very low23 Ų2372 Ų7219%0.1939%0.391CS..THydrogen-bonded Turntrans-97.79.3-17600000114.6S1446 E1447 A1448 P1667S1446-A1450 PolarHBondContact O-N 3.39Å; E1447-A1450 PolarHBondContact O-N 3.03Å; A1448-A1450 PolarHBondContact O-N 3.38Å; A1450-P1667 WeakPolarHBondContact O-CA 3.28Å; A1450-P1667 WeakPolarHBondContact O-CB 3.36Å
1451D40.8Very low42.2Very low64 Ų6473 Ų7334%0.34240%0.401SS..  trans-147.367.9-178.7-153.645.1000113.9K1453D1451-K1453 PolarHBondContact O-N 3.4Å; D1451-K1453 VanDerWaalsContact O-N 3.08Å; D1451-K1453 WeakPolarHBondContact OD2-CE 3.47Å; D1451-K1453 IonicContact OD2-NZ 3.78Å
1452P40.8Very low40.5Very low67 Ų6775.1 Ų75.144%0.43542%0.418SS..  trans-83.379.2-173.434.6-35.8000113.6F1670P1452-F1670 HydrophobicContact CG-CE2 3.93Å; P1452-F1670 HydrophobicContact CG-CZ 4.36Å
1453K33.2Very low38.9Very low123 Ų12382.4 Ų82.454%0.53545%0.45SS..  trans-64.6140.7175.3-65.5-177-177.5174.80112.8D1451 V1455 I1501D1451-K1453 PolarHBondContact O-N 3.4Å; D1451-K1453 VanDerWaalsContact O-N 3.08Å; D1451-K1453 WeakPolarHBondContact OD2-CE 3.47Å; D1451-K1453 IonicContact OD2-NZ 3.78Å; K1453-V1455 PolarHBondContact O-N 3.1Å; K1453-V1455 VanDerWaalsContact O-N 3.14Å; K1453-I1501 HydrophobicContact CB-CD1 4.29Å; K1453-I1501 VanDerWaalsContact N-CD1 3.34Å; K1453-I1501 WeakPolarHBondContact O-CD1 3.49Å
1454P34.3Very low37.7Very low131 Ų13184.5 Ų84.585%0.85146%0.464SS*.  trans-67.7112.5178.827-33.8000111.2
1455V34.4Very low36.1Very low88 Ų8886.4 Ų86.453%0.53348%0.484SS..  trans-82124.2177.4179.80000109.9K1453K1453-V1455 PolarHBondContact O-N 3.1Å; K1453-V1455 VanDerWaalsContact O-N 3.14Å
1456N28.6Very low34.6Very low114 Ų11491.5 Ų91.561%0.6152%0.519SS*.  trans-55126.5178.7-132.3-21.9000111.1S1458 T1459N1456-S1458 PolarHBondContact O-N 3.12Å; N1456-T1459 PolarHBondContact O-N 3.37Å; N1456-T1459 PolarHBondContact O-OG1 3.41Å
1457P32.5Very low33.4Very low114 Ų11498 Ų9874%0.7456%0.558SS**G310 helixtrans-64.2-11.7-173.823.6-33.6000114.2T1459P1457-T1459 PolarHBondContact O-N 2.99Å
1458S28.8Very low32.2Very low86 Ų86101.9 Ų101.960%0.60158%0.582SS**G310 helixtrans-70.1-7.9177.253.90000115.5N1456N1456-S1458 PolarHBondContact O-N 3.12Å
1459T28.7Very low31.1Very low85 Ų85106.7 Ų106.752%0.52161%0.614SS.*G310 helixtrans-99.9-3.2-175.3-31.10000114.1N1456 P1457N1456-T1459 PolarHBondContact O-N 3.37Å; N1456-T1459 PolarHBondContact O-OG1 3.41Å; P1457-T1459 PolarHBondContact O-N 2.99Å
1460Y28.6Very low29.9Very low140 Ų140109.7 Ų109.755%0.54964%0.637SS.*SBendtrans-88.4-12.3-176.2-104-91.3000115.2
1461S27.2Very low29.2Very low101 Ų101114.7 Ų114.771%0.70667%0.666SS**THydrogen-bonded Turntrans-80.7-13.4-172.456.80000115.5
1462S26.1Very low28.4Very low77 Ų77114.9 Ų114.954%0.53868%0.676SS.*THydrogen-bonded Turntrans-105.9-0.7-169.358.50000115.9
1463F27.4Very low27.7Very low183 Ų183123.2 Ų123.280%0.80370%0.7SS**SBendtrans-114.1-1.5-173.7-96.8-79.4000116.2
1464F27.4Very low27.3Very low188 Ų188121.7 Ų121.783%0.82570%0.704SS**SBendtrans-119.52.8177.2-89-83.3000114.7S1466F1464-S1466 VanDerWaalsContact C-N 3.34Å; F1464-S1466 PolarHBondContact O-N 2.87Å
1465S23.4Very low26.8Very low97 Ų97120.6 Ų120.668%0.67870%0.695SS**  trans-90.849.317964.20000113.7
1466S23.6Very low26.5Very low111 Ų111122.2 Ų122.278%0.77671%0.705SS**  trans-166.4115.2155.342.10000113.4F1464F1464-S1466 VanDerWaalsContact C-N 3.34Å; F1464-S1466 PolarHBondContact O-N 2.87Å
1467V26.9Very low26.3Very low138 Ų138122 Ų12284%0.83671%0.708SS**  trans14675.5139.7174.80000107.7
1468N23.7Very low25.9Very low167 Ų167120.8 Ų120.889%0.89370%0.703SS**  trans-79.1125.5151.1-94.1-15.5000107.3
1469C25.5Very low25.8Very low112 Ų112127.4 Ų127.476%0.75772%0.716SS**  trans-160.1102.6140.5-103.70000109.1
1470S24.4Very low25.6Very low95 Ų95127.4 Ų127.466%0.66472%0.72SS**  12.6149.2116.756.90000118.1
1471T26.4Very low25.4Very low128 Ų128125.4 Ų125.479%0.78573%0.726SS**  cis-163.7151.822.3-14.30000111.6
1472A23.9Very low25.2Very low67 Ų67126.1 Ų126.155%0.55473%0.731SS**  trans29.2132.414400000121.6
1473Y26.4Very low25.2Very low242 Ų242127.1 Ų127.195%0.94974%0.738SS**  -125.5122.696.5-110.9-85000111.6
1474C24.6Very low25Very low91 Ų91125.9 Ų125.962%0.61574%0.74SS**  trans-67.5176163.6-61.30000109.6
1475T24.8Very low25Very low108 Ų108122.5 Ų122.566%0.66374%0.739SS**  cis-165.7164.36.800000105
1476T27.5Very low25Very low122 Ų122122.6 Ų122.675%0.74874%0.74SS**  -163.5114.762.535.90000112.2
1477T24.5Very low25.1Very low109 Ų109124.6 Ų124.667%0.66974%0.741SS**  6.8153112.251.30000118.6
1478S23.9Very low24.9Very low90 Ų90123.1 Ų123.163%0.62974%0.737SS**  cis168.9154.7-8.953.30000107.6
1479Y26.8Very low24.9Very low224 Ų224119.2 Ų119.288%0.87874%0.737SS**  trans-146.796148.2-104.5-80.2000111.7
1480S24.7Very low24.9Very low86 Ų86119.4 Ų119.460%0.60174%0.739SS**  10.1152.2128.951.50000120.3
1481S24.5Very low25Very low98 Ų98119.9 Ų119.969%0.68574%0.743SS**  cis-178.9158.46.337.60000114.8
1482S24Very low25Very low115 Ų115125.3 Ų125.380%0.80475%0.749SS**  trans73.5150.6146.4780000118.9
1483S26Very low25.3Very low98 Ų98128.3 Ų128.369%0.68576%0.755SS**  cis-153.5151.811.3470000115.1
1484N22.5Very low25.6Very low157 Ų157124.1 Ų124.184%0.8475%0.749SS**  trans39119.2144-55.5-10000123.8
1485S28.1Very low26.5Very low117 Ų117125.2 Ų125.282%0.81875%0.745SS**  -170125.910863.30000115.2
1486S22.9Very low27.3Very low99 Ų99121.6 Ų121.669%0.69272%0.723SS**  trans-33.4152.9160.248.70000117.8
1487L24.3Very low28.1Very low153 Ų153120.3 Ų120.380%0.80172%0.715SS**  -164.9143.163.3-112.2113.4000115.7
1488S23.6Very low29.3Very low107 Ų107119.9 Ų119.975%0.74870%0.701SS**  trans38.1114.3146.564.40000123.3
1489G23.7Very low30.3Very low86 Ų86118.1 Ų118.189%0.88769%0.689SS**  11061.7109.400000120
1490S25.1Very low31.4Very low116 Ų116107.7 Ų107.781%0.81165%0.649SS**  trans-115123.9156.962.20000112.1R1492S1490-R1492 PolarHBondContact O-N 3.16Å
1491S26Very low32.4Very low105 Ų105106.1 Ų106.173%0.73463%0.633SS**  trans-52.9130.7168.743.90000111.3L1493S1491-L1493 PolarHBondContact O-N 2.91Å
1492R26.5Very low33.6Very low242 Ų242101.9 Ų101.991%0.91360%0.602SS**  trans-58.7108.5167.6-72.2-178.2178.9175.1-0.8109S1490 N1494S1490-R1492 PolarHBondContact O-N 3.16Å; R1492-N1494 PolarHBondContact O-N 3.14Å
1493L30.9Very low34.5Very low129 Ų12998.6 Ų98.668%0.67558%0.579SS**  trans-58.5130.1164.9-76.2161.4000108.2S1491 E1495S1491-L1493 PolarHBondContact O-N 2.91Å; L1493-E1495 PolarHBondContact O-N 3.33Å; L1493-E1495 VanDerWaalsContact O-N 3.12Å
1494N33.6Very low35.4Very low154 Ų154100.1 Ų100.182%0.82458%0.579SS**  trans-67.2109.5179.7-70.5-36.7000109.2R1492R1492-N1494 PolarHBondContact O-N 3.14Å
1495E41.7Very low36.5Very low115 Ų11598.1 Ų98.154%0.53756%0.561SS.*  trans-58.9127.7175.9-65.1-159.3150.500110.8L1493 T1497 R1577L1493-E1495 PolarHBondContact O-N 3.33Å; L1493-E1495 VanDerWaalsContact O-N 3.12Å; E1495-T1497 PolarHBondContact O-N 2.86Å; E1495-R1577 IonicContact OE1-CZ 2.69Å; E1495-R1577 IonicContact OE1-NH1 3.38Å; E1495-R1577 IonicContact OE1-NH2 3.88Å; E1495-R1577 PolarHBondContact OE1-NH2 2.96Å; E1495-R1577 IonicContact OE2-CZ 3.59Å; E1495-R1577 IonicContact OE2-NH1 2.88Å; E1495-R1577 PolarHBondContact OE2-NH1 2.89Å; E1495-R1577 IonicContact OE2-NH2 3.74Å; E1495-R1577 PolarHBondContact OE2-NH2 2.69Å
1496P41.6Very low37.5Very low31 Ų3194.2 Ų94.220%0.20153%0.53CS..  trans-7784-17931.7-35.4000111F1415 Y1417 R1498 L1599 L1648F1415-P1496 HydrophobicContact CE2-CG 4.31Å; F1415-P1496 HydrophobicContact CZ-CG 4.18Å; Y1417-P1496 PolarHBondContact OH-O 3.15Å; P1496-R1498 PolarHBondContact O-N 3.43Å; P1496-L1599 HydrophobicContact CG-CD1 4.35Å; P1496-L1599 HydrophobicContact CG-CD2 4.2Å; P1496-L1648 HydrophobicContact CB-CD1 4.05Å; P1496-L1648 HydrophobicContact CG-CD1 4.48Å
1497T45.4Very low38.8Very low96 Ų9692.3 Ų92.359%0.58951%0.514SS*.  trans-69.5126.2174.351.50000111.6E1495 S1499E1495-T1497 PolarHBondContact O-N 2.86Å; T1497-S1499 PolarHBondContact O-N 3.19Å
1498R48.7Very low39.6Very low99 Ų9989 Ų8937%0.37450%0.504SS..  trans-80.980.6-175.8-164.4-176.5-179.6-176.35.7111.9P1496 L1500 E1525P1496-R1498 PolarHBondContact O-N 3.43Å; R1498-L1500 PolarHBondContact O-N 3.26Å; R1498-L1500 VanDerWaalsContact O-N 3.14Å; R1498-E1525 PolarHBondContact N-OE2 3.38Å
1499S46.7Very low40.5Very low53 Ų5392.3 Ų92.337%0.37151%0.505SS..  trans-67105.8175.81560000112.4T1497 I1501T1497-S1499 PolarHBondContact O-N 3.19Å; S1499-I1501 PolarHBondContact O-N 3.31Å
1500L48Very low41.6Very low6 Ų690.9 Ų90.93%0.03148%0.48CS..  trans-59.1106164.1-97.6150.6000110.5N1449 R1498 L1502 I1522 R1523 V1583N1449-L1500 HydrophobicContact CB-CD2 4.45Å; N1449-L1500 WeakPolarHBondContact OD1-CD2 3.46Å; R1498-L1500 PolarHBondContact O-N 3.26Å; R1498-L1500 VanDerWaalsContact O-N 3.14Å; L1500-L1502 HydrophobicContact CB-CD2 4.47Å; L1500-L1502 HydrophobicContact CB-CG 4.47Å; L1500-L1502 HydrophobicContact CD2-CD2 4.23Å; L1500-I1522 HydrophobicContact CD1-CD1 4.2Å; L1500-I1522 HydrophobicContact CD1-CG1 3.91Å; L1500-R1523 PolarHBondContact O-NE 2.91Å; L1500-R1523 PolarHBondContact O-NH2 2.94Å; L1500-V1583 HydrophobicContact CD1-CG2 4.08Å; L1500-V1583 HydrophobicContact CD2-CG2 4.39Å
1501I47Very low42.5Very low53 Ų5396.3 Ų96.327%0.27248%0.483SS..  trans-65137.3156.9-56.3-172.1000106.5A1448 K1453 S1499A1448-I1501 VanDerWaalsContact CB-O 3.29Å; A1448-I1501 WeakPolarHBondContact CB-O 3.26Å; K1453-I1501 HydrophobicContact CB-CD1 4.29Å; K1453-I1501 VanDerWaalsContact N-CD1 3.34Å; K1453-I1501 WeakPolarHBondContact O-CD1 3.49Å; S1499-I1501 PolarHBondContact O-N 3.31Å
1502L49Very low43.9Very low8 Ų892.7 Ų92.74%0.04246%0.462CS..  trans-127.2137.9-177.1-67.4169.6000107.7L1445 A1448 L1500 L1506 T1507 M1519L1445-L1502 HydrophobicContact CD2-CD2 3.33Å; A1448-L1502 HydrophobicContact CB-CD2 4.47Å; L1500-L1502 HydrophobicContact CB-CD2 4.47Å; L1500-L1502 HydrophobicContact CB-CG 4.47Å; L1500-L1502 HydrophobicContact CD2-CD2 4.23Å; L1502-L1506 HydrophobicContact CB-CD1 4.41Å; L1502-L1506 HydrophobicContact CD2-CD1 4.24Å; L1502-T1507 HydrophobicContact CB-CG2 4.5Å; L1502-M1519 HydrophobicContact CB-CE 4.26Å; L1502-M1519 HydrophobicContact CD1-CE 3.44Å; L1502-M1519 VanDerWaalsContact CD1-CE 3.44Å; L1502-M1519 HydrophobicContact CD1-SD 3.51Å; L1502-M1519 VanDerWaalsContact CD1-SD 3.51Å; L1502-M1519 HydrophobicContact CG-CE 4.47Å
1503P44.2Very low45.4Very low47 Ų4787.4 Ų87.431%0.30545%0.448SS..  trans-70.8152.6-169.1-11.729.7000109.5A1448 Y1505 L1506A1448-P1503 HydrophobicContact CB-CG 3.72Å; P1503-Y1505 HydrophobicContact CB-CD1 3.97Å; P1503-Y1505 HydrophobicContact CB-CE1 4.16Å; P1503-Y1505 HydrophobicContact CG-CD1 4.45Å; P1503-Y1505 HydrophobicContact CG-CE1 4.13Å; P1503-Y1505 PolarHBondContact O-N 2.86Å; P1503-L1506 PolarHBondContact O-N 3.03Å
1504D43.2Very low46.5Very low129 Ų12983.6 Ų83.669%0.6944%0.435SS*.Hα-helixtrans-58.3-23.9-165.6-80.1-42.4000114.9L1506 T1507 S1508D1504-L1506 PolarHBondContact O-N 2.72Å; D1504-T1507 WeakPolarHBondContact CA-OG1 3.45Å; D1504-T1507 PolarHBondContact O-N 3.44Å; D1504-T1507 PolarHBondContact O-OG1 2.7Å; D1504-T1507 VanDerWaalsContact O-OG1 3.1Å; D1504-T1507 PolarHBondContact OD1-OG1 3.26Å; D1504-S1508 VanDerWaalsContact O-CB 3.29Å; D1504-S1508 WeakPolarHBondContact O-CB 3.19Å; D1504-S1508 PolarHBondContact O-N 2.93Å; D1504-S1508 PolarHBondContact O-OG 3.26Å
1505Y46.5Very low47.6Very low116 Ų11680.8 Ų80.846%0.45542%0.417SS..Hα-helixtrans-63.1-20.5174.592.8-87.2000113.9H1444 P1503H1444-Y1505 HydrophobicContact CB-CE1 4.03Å; H1444-Y1505 WeakPolarHBondContact CB-OH 3.24Å; H1444-Y1505 AromaticContact CD2-CE1 3.55Å; H1444-Y1505 AromaticContact CD2-CZ 3.48Å; H1444-Y1505 VanDerWaalsContact CD2-CZ 3.48Å; H1444-Y1505 PolarHBondContact CD2-OH 2.77Å; H1444-Y1505 AromaticContact CG-CZ 3.94Å; H1444-Y1505 VanDerWaalsContact CG-OH 3.31Å; P1503-Y1505 HydrophobicContact CB-CD1 3.97Å; P1503-Y1505 HydrophobicContact CB-CE1 4.16Å; P1503-Y1505 HydrophobicContact CG-CD1 4.45Å; P1503-Y1505 HydrophobicContact CG-CE1 4.13Å; P1503-Y1505 PolarHBondContact O-N 2.86Å
1506L49Very low48.4Very low34 Ų3481.2 Ų81.218%0.17842%0.417CS..Hα-helixtrans-90.8-19.5172.4-68.9179000113.4L1445 L1502 P1503 D1504 M1519L1445-L1506 HydrophobicContact CD2-CD1 4.36Å; L1502-L1506 HydrophobicContact CB-CD1 4.41Å; L1502-L1506 HydrophobicContact CD2-CD1 4.24Å; P1503-L1506 PolarHBondContact O-N 3.03Å; D1504-L1506 PolarHBondContact O-N 2.72Å; L1506-M1519 HydrophobicContact CB-CE 3.95Å; L1506-M1519 WeakPolarHBondContact O-CE 3.36Å
1507T49.3Very low49.5Very low59 Ų5983.4 Ų83.436%0.36242%0.421SS..Hα-helixtrans-100.8-25.4-176.465.20000112.5L1502 D1504 K1509 M1519L1502-T1507 HydrophobicContact CB-CG2 4.5Å; D1504-T1507 WeakPolarHBondContact CA-OG1 3.45Å; D1504-T1507 PolarHBondContact O-N 3.44Å; D1504-T1507 PolarHBondContact O-OG1 2.7Å; D1504-T1507 VanDerWaalsContact O-OG1 3.1Å; D1504-T1507 PolarHBondContact OD1-OG1 3.26Å; T1507-K1509 PolarHBondContact O-N 3.21Å; T1507-M1519 HydrophobicContact CG2-CE 4.3Å
1508S43Very low50.5Low84 Ų8479.5 Ų79.559%0.58740%0.396SS*.SBendtrans-70.388.7-176.668.90000112.8D1504D1504-S1508 VanDerWaalsContact O-CB 3.29Å; D1504-S1508 WeakPolarHBondContact O-CB 3.19Å; D1504-S1508 PolarHBondContact O-N 2.93Å; D1504-S1508 PolarHBondContact O-OG 3.26Å
1509K42.1Very low51.1Low176 Ų17676.5 Ų76.577%0.76539%0.387SS*.  trans61.886.5-178.6-65.2-177.1178.4176.30113.8T1507 R1511T1507-K1509 PolarHBondContact O-N 3.21Å; K1509-R1511 PolarHBondContact O-N 3.45Å
1510P45.6Very low52Low57 Ų5781 Ų8137%0.3740%0.4SS..  trans-67.999.2176.328.6-35000111G1512 K1516P1510-G1512 VanDerWaalsContact C-N 3.28Å; P1510-G1512 PolarHBondContact O-N 3.31Å; P1510-K1516 HydrophobicContact CB-CG 4.15Å; P1510-K1516 HydrophobicContact CG-CG 4.27Å
1511R44.4Very low53Low230 Ų23080.8 Ų80.887%0.86840%0.398SS*.  trans-83.812.9-173-86.2-178.2164.3171.6-4114.8K1509K1509-R1511 PolarHBondContact O-N 3.45Å
1512G55.7Low53.9Low29 Ų2978.5 Ų78.530%0.29939%0.387SS..  trans-148.6143.417700000114.3P1510 A1514 Q1515 K1516P1510-G1512 VanDerWaalsContact C-N 3.28Å; P1510-G1512 PolarHBondContact O-N 3.31Å; G1512-A1514 PolarHBondContact O-N 2.87Å; G1512-Q1515 PolarHBondContact O-N 3.1Å; G1512-K1516 PolarHBondContact O-N 3.1Å
1513H57Low54.5Low131 Ų13184 Ų8461%0.60641%0.407SS*.Hα-helixtrans-61.4-33.4176.7-161-22.9000111.9K1516 R1517H1513-K1516 PolarHBondContact O-N 2.89Å; H1513-R1517 WeakPolarHBondContact O-CG 3.43Å; H1513-R1517 PolarHBondContact O-N 2.81Å
1514A55Low55.6Low49 Ų4983 Ų8341%0.40540%0.399SS..Hα-helixtrans-62.8-43.9174.900000112.7G1512 K1516 R1517 F1518G1512-A1514 PolarHBondContact O-N 2.87Å; A1514-K1516 PolarHBondContact O-N 2.68Å; A1514-R1517 PolarHBondContact O-N 2.94Å; A1514-R1517 VanDerWaalsContact O-N 3.13Å; A1514-F1518 PolarHBondContact O-N 3.41Å
1515Q56.7Low56.6Low94 Ų9478.6 Ų78.644%0.43937%0.374SS..Hα-helixtrans-59.6-48173.7-73176.3-35.800110.7G1512 R1517 F1518 M1519G1512-Q1515 PolarHBondContact O-N 3.1Å; Q1515-R1517 PolarHBondContact O-N 3.27Å; Q1515-F1518 WeakPolarHBondContact O-CB 2.81Å; Q1515-F1518 PolarHBondContact O-N 3.28Å; Q1515-F1518 VanDerWaalsContact O-N 3.15Å; Q1515-M1519 VanDerWaalsContact O-CG 3.24Å; Q1515-M1519 WeakPolarHBondContact O-CG 3.26Å; Q1515-M1519 PolarHBondContact O-N 3.11Å
1516K59.2Low57.9Low124 Ų12473.6 Ų73.654%0.53936%0.356SS..Hα-helixtrans-58-32.6175.6-74.2-170.3177.2-176.30113.4P1510 G1512 H1513 A1514 K1520P1510-K1516 HydrophobicContact CB-CG 4.15Å; P1510-K1516 HydrophobicContact CG-CG 4.27Å; G1512-K1516 PolarHBondContact O-N 3.1Å; H1513-K1516 PolarHBondContact O-N 2.89Å; A1514-K1516 PolarHBondContact O-N 2.68Å; K1516-K1520 PolarHBondContact O-N 2.77Å
1517R64.9Low59Low77 Ų7774.5 Ų74.529%0.29137%0.365SS..Hα-helixtrans-71.8-46.8173.8-68.5-171.5179.3147.33111.8H1513 A1514 Q1515 M1519 K1520 I1521H1513-R1517 WeakPolarHBondContact O-CG 3.43Å; H1513-R1517 PolarHBondContact O-N 2.81Å; A1514-R1517 PolarHBondContact O-N 2.94Å; A1514-R1517 VanDerWaalsContact O-N 3.13Å; Q1515-R1517 PolarHBondContact O-N 3.27Å; R1517-M1519 VanDerWaalsContact C-N 3.34Å; R1517-M1519 PolarHBondContact O-N 3.33Å; R1517-K1520 PolarHBondContact O-N 2.84Å; R1517-K1520 VanDerWaalsContact O-N 3.09Å; R1517-I1521 WeakPolarHBondContact O-CG1 3.28Å; R1517-I1521 PolarHBondContact O-N 3.03Å
1518F66.2Low60.4Low14 Ų1478.1 Ų78.16%0.06138%0.377CS..Hα-helixtrans-53.6-49175.8-178.4-125.8000112.2L1427 F1428 S1431 I1433 V1441 L1445 A1514 Q1515 K1520 I1521 I1522L1427-F1518 HydrophobicContact CD1-CD2 3.93Å; L1427-F1518 HydrophobicContact CD1-CE2 4.35Å; L1427-F1518 HydrophobicContact CD2-CD2 4.42Å; L1427-F1518 HydrophobicContact CD2-CE2 4.05Å; L1427-F1518 HydrophobicContact CG-CD2 4.04Å; L1427-F1518 HydrophobicContact CG-CE2 3.96Å; F1428-F1518 HydrophobicContact CD1-CE2 4.21Å; F1428-F1518 HydrophobicContact CE1-CE2 4.27Å; F1428-F1518 HydrophobicContact CE1-CZ 4.31Å; S1431-F1518 WeakPolarHBondContact OG-CB 2.94Å; S1431-F1518 WeakPolarHBondContact OG-CD2 3.46Å; I1433-F1518 HydrophobicContact CD1-CE1 4.32Å; I1433-F1518 HydrophobicContact CD1-CE2 4.08Å; I1433-F1518 HydrophobicContact CD1-CZ 3.9Å; V1441-F1518 HydrophobicContact CG1-CE1 4.25Å; V1441-F1518 HydrophobicContact CG1-CZ 4.02Å; L1445-F1518 HydrophobicContact CD1-CZ 3.97Å; A1514-F1518 PolarHBondContact O-N 3.41Å; Q1515-F1518 WeakPolarHBondContact O-CB 2.81Å; Q1515-F1518 PolarHBondContact O-N 3.28Å; Q1515-F1518 VanDerWaalsContact O-N 3.15Å; F1518-K1520 VanDerWaalsContact C-N 3.26Å; F1518-K1520 PolarHBondContact O-N 2.88Å; F1518-I1521 PolarHBondContact O-N 3.24Å; F1518-I1522 HydrophobicContact CE2-CD1 4.35Å; F1518-I1522 HydrophobicContact CZ-CD1 4.2Å; F1518-I1522 WeakPolarHBondContact O-CB 3.11Å; F1518-I1522 WeakPolarHBondContact O-CG2 3.44Å; F1518-I1522 PolarHBondContact O-N 3.26Å
1519M60.8Low62Low37 Ų3774.4 Ų74.418%0.18235%0.351CS..Hα-helixtrans-63.7-27.5179.5-57.1-63.5-101.800113.2L1502 L1506 T1507 Q1515 R1517L1502-M1519 HydrophobicContact CB-CE 4.26Å; L1502-M1519 HydrophobicContact CD1-CE 3.44Å; L1502-M1519 VanDerWaalsContact CD1-CE 3.44Å; L1502-M1519 HydrophobicContact CD1-SD 3.51Å; L1502-M1519 VanDerWaalsContact CD1-SD 3.51Å; L1502-M1519 HydrophobicContact CG-CE 4.47Å; L1506-M1519 HydrophobicContact CB-CE 3.95Å; L1506-M1519 WeakPolarHBondContact O-CE 3.36Å; T1507-M1519 HydrophobicContact CG2-CE 4.3Å; Q1515-M1519 VanDerWaalsContact O-CG 3.24Å; Q1515-M1519 WeakPolarHBondContact O-CG 3.26Å; Q1515-M1519 PolarHBondContact O-N 3.11Å; R1517-M1519 VanDerWaalsContact C-N 3.34Å; R1517-M1519 PolarHBondContact O-N 3.33Å
1520K66.1Low63.7Low148 Ų14871.4 Ų71.464%0.64334%0.339SS*.Hα-helixtrans-76.7-46.2173.6-79.1-169.4173.4-163.90112K1516 R1517 F1518 R1523K1516-K1520 PolarHBondContact O-N 2.77Å; R1517-K1520 PolarHBondContact O-N 2.84Å; R1517-K1520 VanDerWaalsContact O-N 3.09Å; F1518-K1520 VanDerWaalsContact C-N 3.26Å; F1518-K1520 PolarHBondContact O-N 2.88Å; K1520-R1523 PolarHBondContact O-N 2.64Å
1521I68.1Low65.3Low1 Ų174.3 Ų74.31%0.00534%0.344CS..Hα-helixtrans-73.2-35.8-174.3-54.6162.7000111.5L1427 L1430 R1517 F1518 R1523 L1524 V1535 F1536 H1539 P1580L1427-I1521 HydrophobicContact CD1-CB 3.73Å; L1427-I1521 HydrophobicContact CD1-CD1 4.32Å; L1427-I1521 HydrophobicContact CD1-CG2 3.62Å; L1430-I1521 HydrophobicContact CD1-CD1 4.37Å; R1517-I1521 WeakPolarHBondContact O-CG1 3.28Å; R1517-I1521 PolarHBondContact O-N 3.03Å; F1518-I1521 PolarHBondContact O-N 3.24Å; I1521-R1523 PolarHBondContact O-N 3.38Å; I1521-L1524 VanDerWaalsContact O-CB 3.24Å; I1521-L1524 WeakPolarHBondContact O-CB 3.32Å; I1521-L1524 PolarHBondContact O-N 3.02Å; I1521-L1524 VanDerWaalsContact O-N 3.15Å; I1521-V1535 HydrophobicContact CG1-CG1 4.23Å; I1521-F1536 HydrophobicContact CG2-CD2 3.84Å; I1521-F1536 HydrophobicContact CG2-CE2 3.27Å; I1521-F1536 HydrophobicContact CG2-CZ 3.7Å; I1521-H1539 HydrophobicContact CD1-CB 3.72Å; I1521-H1539 HydrophobicContact CG1-CB 4.46Å; I1521-P1580 HydrophobicContact CG2-CG 4.46Å
1522I65.5Low66.6Low5 Ų563.3 Ų63.33%0.02630%0.302CS..THydrogen-bonded Turntrans-70.2-17.3-179.8-154.5175.5000113.6L1427 L1445 L1500 F1518 V1583L1427-I1522 HydrophobicContact CD2-CB 4.34Å; L1427-I1522 HydrophobicContact CD2-CG1 4.14Å; L1445-I1522 HydrophobicContact CD1-CD1 3.65Å; L1445-I1522 HydrophobicContact CD2-CD1 3.84Å; L1445-I1522 HydrophobicContact CG-CD1 4.37Å; L1500-I1522 HydrophobicContact CD1-CD1 4.2Å; L1500-I1522 HydrophobicContact CD1-CG1 3.91Å; F1518-I1522 HydrophobicContact CE2-CD1 4.35Å; F1518-I1522 HydrophobicContact CZ-CD1 4.2Å; F1518-I1522 WeakPolarHBondContact O-CB 3.11Å; F1518-I1522 WeakPolarHBondContact O-CG2 3.44Å; F1518-I1522 PolarHBondContact O-N 3.26Å; I1522-V1583 HydrophobicContact CD1-CG2 4.46Å
1523R62.6Low67.7Low124 Ų12466 Ų6647%0.46830%0.304SS..THydrogen-bonded Turntrans-95.86.8174.8-70.7-179.2167.1-174.7-5.8113.3L1500 K1520 I1521L1500-R1523 PolarHBondContact O-NE 2.91Å; L1500-R1523 PolarHBondContact O-NH2 2.94Å; K1520-R1523 PolarHBondContact O-N 2.64Å; I1521-R1523 PolarHBondContact O-N 3.38Å
1524L67.5Low68.7Low25 Ų2564.8 Ų64.813%0.13130%0.298CS..  trans-79.1133.9179.6-157.583.7000110.5I1521 Y1531 I1532 V1535 T1579 P1580I1521-L1524 VanDerWaalsContact O-CB 3.24Å; I1521-L1524 WeakPolarHBondContact O-CB 3.32Å; I1521-L1524 PolarHBondContact O-N 3.02Å; I1521-L1524 VanDerWaalsContact O-N 3.15Å; L1524-Y1531 HydrophobicContact CD1-CE1 3.97Å; L1524-Y1531 HydrophobicContact CG-CE1 4.48Å; L1524-I1532 HydrophobicContact CD2-CB 4.27Å; L1524-I1532 HydrophobicContact CD2-CG1 3.99Å; L1524-I1532 HydrophobicContact CD2-CG2 4.22Å; L1524-V1535 HydrophobicContact CD1-CG1 4.31Å; L1524-V1535 HydrophobicContact CD1-CG2 4.13Å; L1524-V1535 HydrophobicContact CD2-CB 3.88Å; L1524-V1535 HydrophobicContact CD2-CG1 3.92Å; L1524-V1535 HydrophobicContact CD2-CG2 3.97Å; L1524-T1579 PolarHBondContact O-OG1 3.42Å; L1524-P1580 HydrophobicContact CB-CG 4.45Å; L1524-P1580 WeakPolarHBondContact O-CD 3.28Å
1525E64.4Low69.6Low37 Ų3763 Ų6317%0.17328%0.282CS..  trans-137.1134.4173.6-168.6-17514300107.5Y1417 R1498Y1417-E1525 HydrophobicContact CE1-CG 4.45Å; Y1417-E1525 WeakPolarHBondContact CE1-OE1 3.36Å; R1498-E1525 PolarHBondContact N-OE2 3.38Å
1526S73.1Confident70.4Confident11 Ų1158.5 Ų58.58%0.07726%0.261CS..BIsolated β-bridgetrans-154.4140.3-177.1-175.60000111.5H1528 F1578S1526-H1528 PolarHBondContact OG-N 2.87Å; S1526-H1528 PolarHBondContact OG-O 2.83Å; S1526-F1578 PolarHBondContact N-O 2.86Å; S1526-F1578 PolarHBondContact O-N 3.15Å
1527S71.6Confident71.1Confident52 Ų5255.7 Ų55.736%0.36425%0.251SS..SBendtrans-72.1-30.9163.148.90000112F1578S1527-F1578 WeakPolarHBondContact O-CD2 3.36Å; S1527-F1578 WeakPolarHBondContact O-CE2 3.33Å
1528H78.3Confident71.5Confident135 Ų13558.7 Ų58.763%0.62527%0.269SS*.  trans-93.4112.9-179-58.9-74.5000110.9S1526 H1530 Y1531S1526-H1528 PolarHBondContact OG-N 2.87Å; S1526-H1528 PolarHBondContact OG-O 2.83Å; H1528-H1530 VanDerWaalsContact C-N 3.34Å; H1528-H1530 PolarHBondContact O-N 3.11Å; H1528-Y1531 PolarHBondContact O-N 3.17Å
1529I76.6Confident71.6Confident7 Ų760 Ų604%0.03628%0.275CS..Hα-helixtrans-65-34.5-178.9-172.760.5000113L1423 Y1531 I1532 R1533 V1555 L1558 E1559 F1578L1423-I1529 HydrophobicContact CD1-CD1 4.5Å; I1529-Y1531 VanDerWaalsContact C-N 3.27Å; I1529-Y1531 PolarHBondContact O-N 3Å; I1529-I1532 HydrophobicContact CD1-CB 4.44Å; I1529-I1532 HydrophobicContact CD1-CD1 4.42Å; I1529-I1532 WeakPolarHBondContact O-CB 3.38Å; I1529-I1532 PolarHBondContact O-N 3.01Å; I1529-I1532 VanDerWaalsContact O-N 3.08Å; I1529-R1533 PolarHBondContact O-N 3.42Å; I1529-V1555 HydrophobicContact CD1-CG2 4.44Å; I1529-V1555 HydrophobicContact CG1-CB 4.41Å; I1529-V1555 HydrophobicContact CG1-CG1 4.17Å; I1529-V1555 HydrophobicContact CG1-CG2 4.12Å; I1529-L1558 HydrophobicContact CD1-CB 4.06Å; I1529-L1558 HydrophobicContact CD1-CD1 3.66Å; I1529-L1558 HydrophobicContact CG1-CB 3.96Å; I1529-L1558 HydrophobicContact CG1-CD1 4.44Å; I1529-E1559 HydrophobicContact CG2-CG 3.81Å; I1529-F1578 HydrophobicContact CB-CD2 3.95Å; I1529-F1578 HydrophobicContact CB-CE2 4.01Å; I1529-F1578 HydrophobicContact CD1-CB 4.24Å; I1529-F1578 HydrophobicContact CD1-CD1 4.44Å; I1529-F1578 HydrophobicContact CD1-CD2 4.35Å; I1529-F1578 HydrophobicContact CD1-CG 4.08Å
1530H78.9Confident71.8Confident112 Ų11259.6 Ų59.652%0.51928%0.276SS..Hα-helixtrans-60.3-33.9176.1-56.8-51.6000112.9H1528 I1532 R1533 E1534 E1559H1528-H1530 VanDerWaalsContact C-N 3.34Å; H1528-H1530 PolarHBondContact O-N 3.11Å; H1530-I1532 VanDerWaalsContact C-N 3.32Å; H1530-I1532 PolarHBondContact O-N 2.77Å; H1530-R1533 WeakPolarHBondContact O-CB 3.19Å; H1530-R1533 PolarHBondContact O-N 2.82Å; H1530-E1534 WeakPolarHBondContact O-CG 3.43Å; H1530-E1534 PolarHBondContact O-N 2.93Å; H1530-E1559 IonicContact CE1-OE1 3.55Å; H1530-E1559 PolarHBondContact CE1-OE1 2.94Å; H1530-E1559 IonicContact ND1-OE1 3.51Å; H1530-E1559 PolarHBondContact ND1-OE1 3.43Å; H1530-E1559 VanDerWaalsContact ND1-OE1 3.13Å
1531Y78.1Confident71.2Confident118 Ų11856.2 Ų56.246%0.46328%0.275SS..Hα-helixtrans-65.2-37.1175.8-179.4-112.7000111.7L1524 H1528 I1529 E1534 V1535L1524-Y1531 HydrophobicContact CD1-CE1 3.97Å; L1524-Y1531 HydrophobicContact CG-CE1 4.48Å; H1528-Y1531 PolarHBondContact O-N 3.17Å; I1529-Y1531 VanDerWaalsContact C-N 3.27Å; I1529-Y1531 PolarHBondContact O-N 3Å; Y1531-E1534 PolarHBondContact O-N 2.78Å; Y1531-V1535 HydrophobicContact CE1-CG2 4.27Å; Y1531-V1535 HydrophobicContact CE2-CG2 4.26Å; Y1531-V1535 WeakPolarHBondContact O-CG2 2.94Å; Y1531-V1535 PolarHBondContact O-N 3.26Å
1532I72.6Confident70.6Confident0 Ų064 Ų640%031%0.312CS..Hα-helixtrans-65.7-43.1172.7-52.5-170.1000110.1L1524 I1529 H1530 E1534 V1535 F1536 F1578 P1580L1524-I1532 HydrophobicContact CD2-CB 4.27Å; L1524-I1532 HydrophobicContact CD2-CG1 3.99Å; L1524-I1532 HydrophobicContact CD2-CG2 4.22Å; I1529-I1532 HydrophobicContact CD1-CB 4.44Å; I1529-I1532 HydrophobicContact CD1-CD1 4.42Å; I1529-I1532 WeakPolarHBondContact O-CB 3.38Å; I1529-I1532 PolarHBondContact O-N 3.01Å; I1529-I1532 VanDerWaalsContact O-N 3.08Å; H1530-I1532 VanDerWaalsContact C-N 3.32Å; H1530-I1532 PolarHBondContact O-N 2.77Å; I1532-E1534 PolarHBondContact O-N 2.73Å; I1532-V1535 PolarHBondContact O-N 2.99Å; I1532-F1536 HydrophobicContact CG2-CD2 3.83Å; I1532-F1536 HydrophobicContact CG2-CE2 3.77Å; I1532-F1536 VanDerWaalsContact O-CD2 3.27Å; I1532-F1536 WeakPolarHBondContact O-CD2 3.11Å; I1532-F1536 PolarHBondContact O-N 2.93Å; I1532-F1578 HydrophobicContact CD1-CB 3.44Å; I1532-F1578 VanDerWaalsContact CD1-CB 3.44Å; I1532-F1578 WeakPolarHBondContact CD1-O 3.44Å; I1532-P1580 HydrophobicContact CG2-CG 4Å
1533R78.6Confident70.1Confident85 Ų8573.4 Ų73.432%0.32136%0.355SS..Hα-helixtrans-56.2-49.3174.2179.7172.6-178.1-88.4-0.5111.7I1529 H1530 F1536 I1537 V1551 D1552 V1555I1529-R1533 PolarHBondContact O-N 3.42Å; H1530-R1533 WeakPolarHBondContact O-CB 3.19Å; H1530-R1533 PolarHBondContact O-N 2.82Å; R1533-F1536 PolarHBondContact O-N 3.21Å; R1533-I1537 HydrophobicContact CG-CD1 3.7Å; R1533-I1537 HydrophobicContact CG-CG1 4.48Å; R1533-I1537 VanDerWaalsContact O-CG1 3.3Å; R1533-I1537 WeakPolarHBondContact O-CG1 3.37Å; R1533-I1537 PolarHBondContact O-N 3.4Å; R1533-V1551 HydrophobicContact CB-CG1 4.25Å; R1533-V1551 HydrophobicContact CG-CG1 3.91Å; R1533-D1552 IonicContact CZ-OD1 2.68Å; R1533-D1552 IonicContact NE-OD1 2.74Å; R1533-D1552 PolarHBondContact NE-OD1 2.98Å; R1533-D1552 IonicContact NH2-OD1 3.69Å; R1533-D1552 PolarHBondContact NH2-OD1 2.76Å; R1533-V1555 HydrophobicContact CB-CG2 3.88Å; R1533-V1555 HydrophobicContact CG-CG2 4.26Å
1534E78Confident70Confident105 Ų10569.5 Ų69.549%0.49135%0.347SS..Hα-helixtrans-60.5-46.8177.5-75.3-175.9-17900112.1H1530 Y1531 I1532 F1536 I1537 Q1538H1530-E1534 WeakPolarHBondContact O-CG 3.43Å; H1530-E1534 PolarHBondContact O-N 2.93Å; Y1531-E1534 PolarHBondContact O-N 2.78Å; I1532-E1534 PolarHBondContact O-N 2.73Å; E1534-F1536 VanDerWaalsContact C-N 3.32Å; E1534-F1536 PolarHBondContact O-N 3.21Å; E1534-I1537 PolarHBondContact O-N 3.43Å; E1534-Q1538 WeakPolarHBondContact O-CB 3.15Å; E1534-Q1538 VanDerWaalsContact O-CG 3.26Å; E1534-Q1538 WeakPolarHBondContact O-CG 3.35Å; E1534-Q1538 PolarHBondContact O-N 3.17Å
1535V73.8Confident70.2Confident12 Ų1274.3 Ų74.37%0.07337%0.368CS..Hα-helixtrans-59.6-43177.3170.10000111.1I1521 L1524 Y1531 I1532 H1539I1521-V1535 HydrophobicContact CG1-CG1 4.23Å; L1524-V1535 HydrophobicContact CD1-CG1 4.31Å; L1524-V1535 HydrophobicContact CD1-CG2 4.13Å; L1524-V1535 HydrophobicContact CD2-CB 3.88Å; L1524-V1535 HydrophobicContact CD2-CG1 3.92Å; L1524-V1535 HydrophobicContact CD2-CG2 3.97Å; Y1531-V1535 HydrophobicContact CE1-CG2 4.27Å; Y1531-V1535 HydrophobicContact CE2-CG2 4.26Å; Y1531-V1535 WeakPolarHBondContact O-CG2 2.94Å; Y1531-V1535 PolarHBondContact O-N 3.26Å; I1532-V1535 PolarHBondContact O-N 2.99Å; V1535-H1539 WeakPolarHBondContact O-CB 3.14Å; V1535-H1539 PolarHBondContact O-N 3.32Å; V1535-H1539 VanDerWaalsContact O-N 3.1Å; V1535-H1539 PolarHBondContact O-ND1 3.31Å
1536F73.7Confident70.5Confident0 Ų076 Ų760%038%0.381CS..Hα-helixtrans-64-41.9176.4-90.4-114.2000112.7L1423 A1426 L1427 L1430 I1521 I1532 R1533 E1534 S1540 V1551 P1580L1423-F1536 WeakPolarHBondContact O-CE1 3.13Å; A1426-F1536 HydrophobicContact CB-CD1 3.9Å; A1426-F1536 HydrophobicContact CB-CE1 3.81Å; L1427-F1536 HydrophobicContact CB-CE1 4.04Å; L1427-F1536 HydrophobicContact CB-CZ 4.06Å; L1427-F1536 HydrophobicContact CD1-CZ 4.48Å; L1430-F1536 HydrophobicContact CD1-CB 4.25Å; L1430-F1536 HydrophobicContact CD1-CD1 3.47Å; L1430-F1536 VanDerWaalsContact CD1-CD1 3.47Å; L1430-F1536 HydrophobicContact CD1-CE1 4.06Å; L1430-F1536 HydrophobicContact CD1-CG 4.04Å; I1521-F1536 HydrophobicContact CG2-CD2 3.84Å; I1521-F1536 HydrophobicContact CG2-CE2 3.27Å; I1521-F1536 HydrophobicContact CG2-CZ 3.7Å; I1532-F1536 HydrophobicContact CG2-CD2 3.83Å; I1532-F1536 HydrophobicContact CG2-CE2 3.77Å; I1532-F1536 VanDerWaalsContact O-CD2 3.27Å; I1532-F1536 WeakPolarHBondContact O-CD2 3.11Å; I1532-F1536 PolarHBondContact O-N 2.93Å; R1533-F1536 PolarHBondContact O-N 3.21Å; E1534-F1536 VanDerWaalsContact C-N 3.32Å; E1534-F1536 PolarHBondContact O-N 3.21Å; F1536-S1540 PolarHBondContact O-N 3.06Å; F1536-V1551 HydrophobicContact CB-CG1 4.4Å; F1536-V1551 HydrophobicContact CB-CG2 4.07Å; F1536-V1551 HydrophobicContact CD1-CG2 3.8Å; F1536-V1551 HydrophobicContact CG-CG2 4.26Å; F1536-P1580 HydrophobicContact CE2-CB 4.07Å; F1536-P1580 HydrophobicContact CE2-CG 3.62Å; F1536-P1580 HydrophobicContact CZ-CB 3.95Å; F1536-P1580 HydrophobicContact CZ-CG 4.03Å
1537I74Confident70.4Confident65 Ų6576.1 Ų76.133%0.33338%0.381SS..Hα-helixtrans-68.9-46.9178.5-68.2170.7000110.9R1533 E1534 H1539 S1540R1533-I1537 HydrophobicContact CG-CD1 3.7Å; R1533-I1537 HydrophobicContact CG-CG1 4.48Å; R1533-I1537 VanDerWaalsContact O-CG1 3.3Å; R1533-I1537 WeakPolarHBondContact O-CG1 3.37Å; R1533-I1537 PolarHBondContact O-N 3.4Å; E1534-I1537 PolarHBondContact O-N 3.43Å; I1537-H1539 PolarHBondContact O-N 2.68Å; I1537-S1540 WeakPolarHBondContact O-CA 3.11Å; I1537-S1540 WeakPolarHBondContact O-CB 3.49Å; I1537-S1540 PolarHBondContact O-N 3.11Å; I1537-S1540 PolarHBondContact O-OG 3.48Å
1538Q72.5Confident70.6Confident140 Ų14075.7 Ų75.765%0.65438%0.378SS*.Hα-helixtrans-60.8-31.9178.1-73175.7700112.8E1534 S1540E1534-Q1538 WeakPolarHBondContact O-CB 3.15Å; E1534-Q1538 VanDerWaalsContact O-CG 3.26Å; E1534-Q1538 WeakPolarHBondContact O-CG 3.35Å; E1534-Q1538 PolarHBondContact O-N 3.17Å; Q1538-S1540 VanDerWaalsContact C-N 3.35Å
1539H68.1Low70.6Confident40 Ų4075.6 Ų75.619%0.18538%0.376CS..Hα-helixtrans-85.6-8.3176.4-69.171.9000113.1I1521 V1535 I1537 A1541I1521-H1539 HydrophobicContact CD1-CB 3.72Å; I1521-H1539 HydrophobicContact CG1-CB 4.46Å; V1535-H1539 WeakPolarHBondContact O-CB 3.14Å; V1535-H1539 PolarHBondContact O-N 3.32Å; V1535-H1539 VanDerWaalsContact O-N 3.1Å; V1535-H1539 PolarHBondContact O-ND1 3.31Å; I1537-H1539 PolarHBondContact O-N 2.68Å; H1539-A1541 PolarHBondContact O-N 3.37Å
1540S66.4Low70.4Confident29 Ų2977.5 Ų77.520%0.20339%0.385CS..  trans-78.789.7171.581.50000110.8L1430 F1536 I1537 Q1538 Q1542L1430-S1540 VanDerWaalsContact CD2-CA 3.5Å; L1430-S1540 VanDerWaalsContact CD2-CB 3.49Å; F1536-S1540 PolarHBondContact O-N 3.06Å; I1537-S1540 WeakPolarHBondContact O-CA 3.11Å; I1537-S1540 WeakPolarHBondContact O-CB 3.49Å; I1537-S1540 PolarHBondContact O-N 3.11Å; I1537-S1540 PolarHBondContact O-OG 3.48Å; Q1538-S1540 VanDerWaalsContact C-N 3.35Å; S1540-Q1542 PolarHBondContact O-N 2.84Å
1541A53.5Low70.3Confident77 Ų7772.2 Ų72.264%0.63636%0.361SS*.SBendtrans-68.80.2-174.900000115.3H1539H1539-A1541 PolarHBondContact O-N 3.37Å
1542Q55Low70.4Confident166 Ų16669 Ų6978%0.77635%0.352SS*.SBendtrans-143.9145.7167.3-71.6-179.2-32.300107.6S1540 C1544S1540-Q1542 PolarHBondContact O-N 2.84Å; Q1542-C1544 PolarHBondContact O-N 2.81Å
1543Q54.2Low70.3Confident201 Ų20170.8 Ų70.894%0.93937%0.37SS*.  trans-67.468.9173.5-72.7-176.3-15.400111.6H1545Q1543-H1545 PolarHBondContact O-N 3.03Å
1544C61.9Low69.8Low42 Ų4266.8 Ų66.828%0.28436%0.355SS..  trans-71.798.6171-172.70000108Q1542 T1546 I1547 S1548Q1542-C1544 PolarHBondContact O-N 2.81Å; C1544-T1546 PolarHBondContact O-N 3.11Å; C1544-I1547 HydrophobicContact CB-CB 4.17Å; C1544-I1547 HydrophobicContact CB-CD1 3.82Å; C1544-I1547 HydrophobicContact CB-CG1 3.85Å; C1544-I1547 WeakPolarHBondContact O-CA 3.41Å; C1544-I1547 PolarHBondContact O-N 2.86Å; C1544-S1548 PolarHBondContact O-N 3.5Å; C1544-S1548 VanDerWaalsContact O-N 3.15Å
1545H71.4Confident69.8Low126 Ų12661.9 Ų61.958%0.58333%0.333SS*.Hα-helixtrans-51-29.2-179.9-17372.3000112.9Q1543 K1549Q1543-H1545 PolarHBondContact O-N 3.03Å; H1545-K1549 WeakPolarHBondContact NE2-CE 3.48Å; H1545-K1549 PolarHBondContact NE2-NZ 2.84Å; H1545-K1549 WeakPolarHBondContact O-CB 3.06Å; H1545-K1549 WeakPolarHBondContact O-CG 3.16Å; H1545-K1549 PolarHBondContact O-N 2.84Å
1546T71.3Confident70Confident72 Ų7267.1 Ų67.144%0.44235%0.354SS..Hα-helixtrans-70.2-34.8172.2-270000114.2C1544 L1550C1544-T1546 PolarHBondContact O-N 3.11Å; T1546-L1550 WeakPolarHBondContact O-CB 3.19Å; T1546-L1550 VanDerWaalsContact O-CG 3.32Å; T1546-L1550 WeakPolarHBondContact O-CG 3.23Å; T1546-L1550 PolarHBondContact O-N 3.48Å; T1546-L1550 VanDerWaalsContact O-N 3.09Å
1547I71Confident69.8Low15 Ų1569.9 Ų69.98%0.07737%0.369CS..Hα-helixtrans-70.7-44.1175.3-63.5177.3000109.1A1426 K1429 L1430 C1544 L1550 V1551A1426-I1547 HydrophobicContact CB-CG2 4.36Å; K1429-I1547 HydrophobicContact CB-CD1 4.32Å; K1429-I1547 HydrophobicContact CB-CG1 4.31Å; K1429-I1547 HydrophobicContact CD-CD1 4.36Å; K1429-I1547 HydrophobicContact CD-CG1 3.84Å; K1429-I1547 HydrophobicContact CG-CD1 4.02Å; K1429-I1547 HydrophobicContact CG-CG1 4.03Å; L1430-I1547 HydrophobicContact CD2-CD1 3.86Å; L1430-I1547 HydrophobicContact CD2-CG2 4.1Å; L1430-I1547 HydrophobicContact CG-CD1 4.19Å; L1430-I1547 HydrophobicContact CG-CG2 4.16Å; C1544-I1547 HydrophobicContact CB-CB 4.17Å; C1544-I1547 HydrophobicContact CB-CD1 3.82Å; C1544-I1547 HydrophobicContact CB-CG1 3.85Å; C1544-I1547 WeakPolarHBondContact O-CA 3.41Å; C1544-I1547 PolarHBondContact O-N 2.86Å; I1547-L1550 PolarHBondContact O-N 3.11Å; I1547-V1551 HydrophobicContact CG2-CG2 4.3Å; I1547-V1551 WeakPolarHBondContact O-CG2 3.4Å; I1547-V1551 PolarHBondContact O-N 3.13Å
1548S75.6Confident69.8Low42 Ų4266.8 Ų66.829%0.29435%0.353SS..Hα-helixtrans-54.1-56.8172.4-155.80000110.1C1544 L1550 V1551 D1552C1544-S1548 PolarHBondContact O-N 3.5Å; C1544-S1548 VanDerWaalsContact O-N 3.15Å; S1548-L1550 VanDerWaalsContact C-N 3.3Å; S1548-L1550 PolarHBondContact O-N 2.68Å; S1548-L1550 VanDerWaalsContact O-N 3.16Å; S1548-V1551 CarbonylContact O-C 3.51Å; S1548-V1551 PolarHBondContact O-N 2.94Å; S1548-D1552 WeakPolarHBondContact CB-OD2 3.48Å; S1548-D1552 WeakPolarHBondContact O-CB 3.38Å; S1548-D1552 PolarHBondContact O-N 2.81Å; S1548-D1552 PolarHBondContact OG-OD2 3.35Å
1549K76.8Confident70.1Confident134 Ų13463 Ų6358%0.58334%0.335SS*.Hα-helixtrans-53.8-38.7178.4-81.5176.5162.7166.50114.7H1545 G1553H1545-K1549 WeakPolarHBondContact NE2-CE 3.48Å; H1545-K1549 PolarHBondContact NE2-NZ 2.84Å; H1545-K1549 WeakPolarHBondContact O-CB 3.06Å; H1545-K1549 WeakPolarHBondContact O-CG 3.16Å; H1545-K1549 PolarHBondContact O-N 2.84Å; K1549-G1553 PolarHBondContact O-N 2.84Å
1550L72.9Confident70.3Confident46 Ų4664 Ų6424%0.24134%0.34CS..Hα-helixtrans-71.5-36.7176.6-75.6170.5000112.9S1422 K1425 A1426 T1546 I1547 S1548 A1554S1422-L1550 WeakPolarHBondContact CB-O 3.15Å; K1425-L1550 HydrophobicContact CB-CD1 4.35Å; A1426-L1550 HydrophobicContact CB-CB 4.42Å; T1546-L1550 WeakPolarHBondContact O-CB 3.19Å; T1546-L1550 VanDerWaalsContact O-CG 3.32Å; T1546-L1550 WeakPolarHBondContact O-CG 3.23Å; T1546-L1550 PolarHBondContact O-N 3.48Å; T1546-L1550 VanDerWaalsContact O-N 3.09Å; I1547-L1550 PolarHBondContact O-N 3.11Å; S1548-L1550 VanDerWaalsContact C-N 3.3Å; S1548-L1550 PolarHBondContact O-N 2.68Å; S1548-L1550 VanDerWaalsContact O-N 3.16Å; L1550-A1554 WeakPolarHBondContact O-CB 3.28Å; L1550-A1554 PolarHBondContact O-N 3.44Å
1551V77.4Confident70.5Confident1 Ų163 Ų631%0.00633%0.332CS..Hα-helixtrans-73.6-53.3175.9174.60000110L1423 A1426 R1533 F1536 I1547 S1548 G1553 A1554 V1555L1423-V1551 HydrophobicContact CD2-CG1 4.42Å; A1426-V1551 HydrophobicContact CB-CG2 3.7Å; R1533-V1551 HydrophobicContact CB-CG1 4.25Å; R1533-V1551 HydrophobicContact CG-CG1 3.91Å; F1536-V1551 HydrophobicContact CB-CG1 4.4Å; F1536-V1551 HydrophobicContact CB-CG2 4.07Å; F1536-V1551 HydrophobicContact CD1-CG2 3.8Å; F1536-V1551 HydrophobicContact CG-CG2 4.26Å; I1547-V1551 HydrophobicContact CG2-CG2 4.3Å; I1547-V1551 WeakPolarHBondContact O-CG2 3.4Å; I1547-V1551 PolarHBondContact O-N 3.13Å; S1548-V1551 CarbonylContact O-C 3.51Å; S1548-V1551 PolarHBondContact O-N 2.94Å; V1551-G1553 VanDerWaalsContact C-N 3.32Å; V1551-G1553 PolarHBondContact O-N 2.69Å; V1551-A1554 PolarHBondContact O-N 3.08Å; V1551-A1554 VanDerWaalsContact O-N 3.1Å; V1551-V1555 HydrophobicContact CG1-CG2 3.91Å; V1551-V1555 VanDerWaalsContact O-CB 3.29Å; V1551-V1555 WeakPolarHBondContact O-CB 3.25Å; V1551-V1555 WeakPolarHBondContact O-CG2 2.97Å; V1551-V1555 PolarHBondContact O-N 3.18Å
1552D79.1Confident71.5Confident52 Ų5261 Ų6128%0.27831%0.312SS..Hα-helixtrans-56.9-41.8179-62.3-46.5000111.7R1533 S1548 V1555 K1556R1533-D1552 IonicContact CZ-OD1 2.68Å; R1533-D1552 IonicContact NE-OD1 2.74Å; R1533-D1552 PolarHBondContact NE-OD1 2.98Å; R1533-D1552 IonicContact NH2-OD1 3.69Å; R1533-D1552 PolarHBondContact NH2-OD1 2.76Å; S1548-D1552 WeakPolarHBondContact CB-OD2 3.48Å; S1548-D1552 WeakPolarHBondContact O-CB 3.38Å; S1548-D1552 PolarHBondContact O-N 2.81Å; S1548-D1552 PolarHBondContact OG-OD2 3.35Å; D1552-V1555 PolarHBondContact O-N 3.22Å; D1552-K1556 WeakPolarHBondContact O-CB 3.38Å; D1552-K1556 PolarHBondContact O-N 3.44Å
1553G70.5Confident72.3Confident37 Ų3757.4 Ų57.438%0.38130%0.299SS..Hα-helixtrans-68.5-34.4175.700000114.2K1549 V1551K1549-G1553 PolarHBondContact O-N 2.84Å; V1551-G1553 VanDerWaalsContact C-N 3.32Å; V1551-G1553 PolarHBondContact O-N 2.69Å
1554A69.8Low72.9Confident0 Ų049 Ų490%026%0.26CS..Hα-helixtrans-73.4-40.9173.500000112.1H1420 L1423 L1550 V1551 L1557 L1558H1420-A1554 HydrophobicContact CB-CB 4.17Å; L1423-A1554 HydrophobicContact CD2-CB 3.81Å; L1423-A1554 HydrophobicContact CG-CB 3.71Å; L1550-A1554 WeakPolarHBondContact O-CB 3.28Å; L1550-A1554 PolarHBondContact O-N 3.44Å; V1551-A1554 PolarHBondContact O-N 3.08Å; V1551-A1554 VanDerWaalsContact O-N 3.1Å; A1554-L1557 PolarHBondContact O-N 2.94Å; A1554-L1558 WeakPolarHBondContact O-CB 3.41Å; A1554-L1558 VanDerWaalsContact O-CG 3.26Å; A1554-L1558 WeakPolarHBondContact O-CG 3.28Å; A1554-L1558 PolarHBondContact O-N 3.32Å
1555V78Confident73.2Confident3 Ų348.6 Ų48.62%0.01825%0.253CS..Hα-helixtrans-63.4-44.7179.4168.30000109.6I1529 R1533 V1551 D1552 L1557 L1558 E1559I1529-V1555 HydrophobicContact CD1-CG2 4.44Å; I1529-V1555 HydrophobicContact CG1-CB 4.41Å; I1529-V1555 HydrophobicContact CG1-CG1 4.17Å; I1529-V1555 HydrophobicContact CG1-CG2 4.12Å; R1533-V1555 HydrophobicContact CB-CG2 3.88Å; R1533-V1555 HydrophobicContact CG-CG2 4.26Å; V1551-V1555 HydrophobicContact CG1-CG2 3.91Å; V1551-V1555 VanDerWaalsContact O-CB 3.29Å; V1551-V1555 WeakPolarHBondContact O-CB 3.25Å; V1551-V1555 WeakPolarHBondContact O-CG2 2.97Å; V1551-V1555 PolarHBondContact O-N 3.18Å; D1552-V1555 PolarHBondContact O-N 3.22Å; V1555-L1557 PolarHBondContact O-N 3.33Å; V1555-L1558 CarbonylContact O-C 3.6Å; V1555-L1558 PolarHBondContact O-N 2.7Å; V1555-L1558 VanDerWaalsContact O-N 3.09Å; V1555-E1559 VanDerWaalsContact CG1-CD 3.47Å; V1555-E1559 HydrophobicContact CG1-CG 3.99Å; V1555-E1559 WeakPolarHBondContact CG1-OE1 3.29Å; V1555-E1559 WeakPolarHBondContact O-CB 3.22Å; V1555-E1559 VanDerWaalsContact O-CG 3.27Å; V1555-E1559 WeakPolarHBondContact O-CG 3.44Å; V1555-E1559 PolarHBondContact O-N 2.98Å
1556K77.4Confident73.2Confident122 Ų12246.5 Ų46.553%0.5325%0.248SC..Hα-helixtrans-56-46.2175.5-171.1178.7-176.8-80.90113.1D1552 L1558 E1559 E1560D1552-K1556 WeakPolarHBondContact O-CB 3.38Å; D1552-K1556 PolarHBondContact O-N 3.44Å; K1556-L1558 VanDerWaalsContact C-N 3.35Å; K1556-L1558 PolarHBondContact O-N 2.98Å; K1556-E1559 PolarHBondContact O-N 3.19Å; K1556-E1560 IonicContact NZ-OE1 3.34Å; K1556-E1560 PolarHBondContact NZ-OE1 2.78Å; K1556-E1560 WeakPolarHBondContact O-CG 3.28Å; K1556-E1560 PolarHBondContact O-N 2.78Å
1557L69.2Low72.8Confident58 Ų5851.1 Ų51.130%0.30426%0.262SS..Hα-helixtrans-64.6-38.7176.6-76.5167.2000112T1389 A1554 V1555 L1561T1389-L1557 HydrophobicContact CG2-CD2 4.29Å; A1554-L1557 PolarHBondContact O-N 2.94Å; V1555-L1557 PolarHBondContact O-N 3.33Å; L1557-L1561 WeakPolarHBondContact O-CG 3.4Å; L1557-L1561 PolarHBondContact O-N 3.4Å; L1557-L1561 VanDerWaalsContact O-N 3.11Å
1558L74.4Confident72.3Confident0 Ų054.6 Ų54.60%028%0.277CS..Hα-helixtrans-77.5-26.5179.2-64.6167.4000112.8V1418 H1420 L1423 I1529 A1554 V1555 K1556 L1561 T1562 F1578 L1592V1418-L1558 HydrophobicContact CG1-CD2 3.81Å; H1420-L1558 HydrophobicContact CB-CD1 4.15Å; H1420-L1558 HydrophobicContact CB-CG 4.45Å; L1423-L1558 HydrophobicContact CD1-CD1 3.72Å; I1529-L1558 HydrophobicContact CD1-CB 4.06Å; I1529-L1558 HydrophobicContact CD1-CD1 3.66Å; I1529-L1558 HydrophobicContact CG1-CB 3.96Å; I1529-L1558 HydrophobicContact CG1-CD1 4.44Å; A1554-L1558 WeakPolarHBondContact O-CB 3.41Å; A1554-L1558 VanDerWaalsContact O-CG 3.26Å; A1554-L1558 WeakPolarHBondContact O-CG 3.28Å; A1554-L1558 PolarHBondContact O-N 3.32Å; V1555-L1558 CarbonylContact O-C 3.6Å; V1555-L1558 PolarHBondContact O-N 2.7Å; V1555-L1558 VanDerWaalsContact O-N 3.09Å; K1556-L1558 VanDerWaalsContact C-N 3.35Å; K1556-L1558 PolarHBondContact O-N 2.98Å; L1558-L1561 HydrophobicContact CD2-CD1 4.34Å; L1558-T1562 PolarHBondContact O-N 3.47Å; L1558-T1562 PolarHBondContact O-OG1 3Å; L1558-F1578 HydrophobicContact CB-CD1 4.4Å; L1558-F1578 HydrophobicContact CB-CE1 3.95Å; L1558-F1578 HydrophobicContact CB-CZ 4.4Å; L1558-F1578 HydrophobicContact CD1-CD1 4.36Å; L1558-F1578 HydrophobicContact CD2-CD1 3.97Å; L1558-F1578 HydrophobicContact CD2-CE1 3.74Å; L1558-F1578 HydrophobicContact CG-CD1 4.47Å; L1558-F1578 HydrophobicContact CG-CE1 4.31Å; L1558-L1592 HydrophobicContact CD2-CD1 3.99Å
1559E78.5Confident71.5Confident61 Ų6158.6 Ų58.629%0.28530%0.295SS..Hα-helixtrans-65.5-49.5167.5-76.2166.9175.500109.9I1529 H1530 V1555 K1556 L1561 T1562 D1563I1529-E1559 HydrophobicContact CG2-CG 3.81Å; H1530-E1559 IonicContact CE1-OE1 3.55Å; H1530-E1559 PolarHBondContact CE1-OE1 2.94Å; H1530-E1559 IonicContact ND1-OE1 3.51Å; H1530-E1559 PolarHBondContact ND1-OE1 3.43Å; H1530-E1559 VanDerWaalsContact ND1-OE1 3.13Å; V1555-E1559 VanDerWaalsContact CG1-CD 3.47Å; V1555-E1559 HydrophobicContact CG1-CG 3.99Å; V1555-E1559 WeakPolarHBondContact CG1-OE1 3.29Å; V1555-E1559 WeakPolarHBondContact O-CB 3.22Å; V1555-E1559 VanDerWaalsContact O-CG 3.27Å; V1555-E1559 WeakPolarHBondContact O-CG 3.44Å; V1555-E1559 PolarHBondContact O-N 2.98Å; K1556-E1559 PolarHBondContact O-N 3.19Å; E1559-L1561 VanDerWaalsContact C-N 3.27Å; E1559-L1561 PolarHBondContact O-N 3.43Å; E1559-T1562 CarbonylContact O-C 3.59Å; E1559-T1562 WeakPolarHBondContact O-CA 3.32Å; E1559-T1562 WeakPolarHBondContact O-CB 3.09Å; E1559-T1562 PolarHBondContact O-N 2.73Å; E1559-D1563 PolarHBondContact O-N 3.23Å
1560E72.5Confident70.7Confident61 Ų6153.1 Ų53.129%0.28527%0.271SS..Hα-helixtrans-56.8-39.2174.8-71.9169.6-165.400111.7T1389 K1556 D1563 I1564T1389-E1560 HydrophobicContact CG2-CB 4.02Å; T1389-E1560 WeakPolarHBondContact CG2-OE2 3.29Å; K1556-E1560 IonicContact NZ-OE1 3.34Å; K1556-E1560 PolarHBondContact NZ-OE1 2.78Å; K1556-E1560 WeakPolarHBondContact O-CG 3.28Å; K1556-E1560 PolarHBondContact O-N 2.78Å; E1560-D1563 PolarHBondContact O-N 2.57Å; E1560-I1564 WeakPolarHBondContact O-CD1 3.48Å; E1560-I1564 WeakPolarHBondContact O-CG1 3.24Å; E1560-I1564 PolarHBondContact O-N 2.74Å
1561L69.1Low69.9Low6 Ų654.2 Ų54.23%0.03128%0.283CS..Hα-helixtrans-70.6-29.1172.3-64.3-177.8000113.9A1392 F1396 L1557 L1558 E1559 I1564 Y1565 L1592A1392-L1561 HydrophobicContact CB-CD1 4.37Å; A1392-L1561 HydrophobicContact CB-CD2 3.37Å; F1396-L1561 HydrophobicContact CE2-CD2 4.43Å; L1557-L1561 WeakPolarHBondContact O-CG 3.4Å; L1557-L1561 PolarHBondContact O-N 3.4Å; L1557-L1561 VanDerWaalsContact O-N 3.11Å; L1558-L1561 HydrophobicContact CD2-CD1 4.34Å; E1559-L1561 VanDerWaalsContact C-N 3.27Å; E1559-L1561 PolarHBondContact O-N 3.43Å; L1561-I1564 HydrophobicContact CD2-CD1 3.99Å; L1561-Y1565 VanDerWaalsContact O-CB 3.27Å; L1561-Y1565 WeakPolarHBondContact O-CB 3.13Å; L1561-Y1565 PolarHBondContact O-N 3.27Å; L1561-L1592 HydrophobicContact CD1-CD1 3.84Å; L1561-L1592 HydrophobicContact CD1-CD2 3.83Å
1562T74.6Confident69.2Low36 Ų3662 Ų6222%0.22132%0.319CS..Hα-helixtrans-70.8-40.3173.5-53.70000110.7L1558 E1559 I1564 Y1565 T1566 F1578L1558-T1562 PolarHBondContact O-N 3.47Å; L1558-T1562 PolarHBondContact O-OG1 3Å; E1559-T1562 CarbonylContact O-C 3.59Å; E1559-T1562 WeakPolarHBondContact O-CA 3.32Å; E1559-T1562 WeakPolarHBondContact O-CB 3.09Å; E1559-T1562 PolarHBondContact O-N 2.73Å; T1562-I1564 VanDerWaalsContact C-N 3.33Å; T1562-I1564 PolarHBondContact O-N 3.31Å; T1562-Y1565 PolarHBondContact O-N 3Å; T1562-T1566 HydrophobicContact CG2-CG2 4.41Å; T1562-T1566 WeakPolarHBondContact O-CB 3.29Å; T1562-T1566 WeakPolarHBondContact O-CG2 3.06Å; T1562-T1566 PolarHBondContact O-N 3.17Å; T1562-T1566 PolarHBondContact O-OG1 3.41Å; T1562-F1578 VanDerWaalsContact OG1-CZ 3.31Å; T1562-F1578 WeakPolarHBondContact OG1-CZ 3.4Å
1563D71.9Confident68.6Low91 Ų9162.1 Ų62.149%0.48732%0.315SS..Hα-helixtrans-63.9-37173.9-80.55.4000111.9E1559 E1560 T1566 K1567E1559-D1563 PolarHBondContact O-N 3.23Å; E1560-D1563 PolarHBondContact O-N 2.57Å; D1563-T1566 WeakPolarHBondContact CA-OG1 3.47Å; D1563-T1566 PolarHBondContact O-OG1 2.69Å; D1563-K1567 VanDerWaalsContact O-CB 3.29Å; D1563-K1567 WeakPolarHBondContact O-CB 3.36Å; D1563-K1567 WeakPolarHBondContact O-CD 3.33Å; D1563-K1567 WeakPolarHBondContact O-CG 3.39Å; D1563-K1567 PolarHBondContact O-N 3.36Å; D1563-K1567 VanDerWaalsContact O-N 3.11Å
1564I66.9Low68.5Low25 Ų2561.6 Ų61.613%0.12830%0.303CS..Hα-helixtrans-64.4-53.9171-71.7156.2000110.1T1393 E1560 L1561 T1562 T1566 K1567 F1568 W1570T1393-I1564 HydrophobicContact CG2-CG2 4.02Å; T1393-I1564 WeakPolarHBondContact OG1-CD1 3.45Å; E1560-I1564 WeakPolarHBondContact O-CD1 3.48Å; E1560-I1564 WeakPolarHBondContact O-CG1 3.24Å; E1560-I1564 PolarHBondContact O-N 2.74Å; L1561-I1564 HydrophobicContact CD2-CD1 3.99Å; T1562-I1564 VanDerWaalsContact C-N 3.33Å; T1562-I1564 PolarHBondContact O-N 3.31Å; I1564-T1566 VanDerWaalsContact C-N 3.3Å; I1564-T1566 PolarHBondContact O-N 2.79Å; I1564-K1567 PolarHBondContact O-N 3.26Å; I1564-F1568 HydrophobicContact CG2-CD2 4.09Å; I1564-F1568 HydrophobicContact CG2-CE2 4.1Å; I1564-F1568 VanDerWaalsContact O-CD2 3.29Å; I1564-F1568 WeakPolarHBondContact O-CD2 3.31Å; I1564-F1568 PolarHBondContact O-N 3.35Å; I1564-W1570 HydrophobicContact CG2-CH2 4.39Å
1565Y68.2Low68.7Low33 Ų3364.1 Ų64.113%0.12931%0.314CS..Hα-helixtrans-57.1-39.8-178.6172.9-85.9000113.2L1561 T1562 W1570 F1574 H1575 L1576L1561-Y1565 VanDerWaalsContact O-CB 3.27Å; L1561-Y1565 WeakPolarHBondContact O-CB 3.13Å; L1561-Y1565 PolarHBondContact O-N 3.27Å; T1562-Y1565 PolarHBondContact O-N 3Å; Y1565-W1570 AromaticContact CD2-CE3 3.55Å; Y1565-W1570 HydrophobicContact CD2-CE3 3.55Å; Y1565-W1570 HydrophobicContact CD2-CZ3 4.13Å; Y1565-W1570 HydrophobicContact CE2-CB 4.18Å; Y1565-W1570 HydrophobicContact CE2-CE3 4.16Å; Y1565-W1570 HydrophobicContact CG-CE3 4.23Å; Y1565-F1574 PolarHBondContact OH-O 2.98Å; Y1565-H1575 WeakPolarHBondContact OH-CA 3.2Å; Y1565-L1576 HydrophobicContact CD1-CB 4.4Å; Y1565-L1576 HydrophobicContact CD1-CD2 4.42Å; Y1565-L1576 HydrophobicContact CD2-CB 3.73Å; Y1565-L1576 HydrophobicContact CD2-CD2 4.04Å; Y1565-L1576 HydrophobicContact CD2-CG 4.43Å; Y1565-L1576 HydrophobicContact CE1-CB 4.25Å; Y1565-L1576 HydrophobicContact CE2-CB 3.56Å; Y1565-L1576 HydrophobicContact CG-CB 4.16Å; Y1565-L1576 HydrophobicContact CG-CD2 3.9Å; Y1565-L1576 PolarHBondContact OH-N 3.05Å
1566T71.7Confident68.6Low81 Ų8164.5 Ų64.550%0.49732%0.316SS..Hα-helixtrans-75-39178.549.60000112.6T1562 D1563 I1564 F1568 D1569T1562-T1566 HydrophobicContact CG2-CG2 4.41Å; T1562-T1566 WeakPolarHBondContact O-CB 3.29Å; T1562-T1566 WeakPolarHBondContact O-CG2 3.06Å; T1562-T1566 PolarHBondContact O-N 3.17Å; T1562-T1566 PolarHBondContact O-OG1 3.41Å; D1563-T1566 WeakPolarHBondContact CA-OG1 3.47Å; D1563-T1566 PolarHBondContact O-OG1 2.69Å; I1564-T1566 VanDerWaalsContact C-N 3.3Å; I1564-T1566 PolarHBondContact O-N 2.79Å; T1566-F1568 PolarHBondContact O-N 2.85Å; T1566-D1569 PolarHBondContact O-N 2.78Å
1567K64.3Low68.4Low169 Ų16960.1 Ų60.174%0.73530%0.296SS*.Hα-helixtrans-62.2-22.7177.2-82.2173.1-178.3168.80114.8D1563 I1564D1563-K1567 VanDerWaalsContact O-CB 3.29Å; D1563-K1567 WeakPolarHBondContact O-CB 3.36Å; D1563-K1567 WeakPolarHBondContact O-CD 3.33Å; D1563-K1567 WeakPolarHBondContact O-CG 3.39Å; D1563-K1567 PolarHBondContact O-N 3.36Å; D1563-K1567 VanDerWaalsContact O-N 3.11Å; I1564-K1567 PolarHBondContact O-N 3.26Å
1568F60.4Low68.6Low88 Ų8857.5 Ų57.539%0.38628%0.282SS..THydrogen-bonded Turntrans-101.85.6-179.9-72.5-71.8000114.8T1393 I1564 T1566 W1570T1393-F1568 HydrophobicContact CG2-CE2 4.02Å; I1564-F1568 HydrophobicContact CG2-CD2 4.09Å; I1564-F1568 HydrophobicContact CG2-CE2 4.1Å; I1564-F1568 VanDerWaalsContact O-CD2 3.29Å; I1564-F1568 WeakPolarHBondContact O-CD2 3.31Å; I1564-F1568 PolarHBondContact O-N 3.35Å; T1566-F1568 PolarHBondContact O-N 2.85Å; F1568-W1570 HydrophobicContact CB-CD2 4.12Å; F1568-W1570 HydrophobicContact CB-CG 4.47Å; F1568-W1570 HydrophobicContact CB-CH2 4.16Å; F1568-W1570 HydrophobicContact CB-CZ2 3.35Å; F1568-W1570 VanDerWaalsContact CB-NE1 3.25Å; F1568-W1570 HydrophobicContact CD1-CZ2 4.49Å; F1568-W1570 AromaticContact CD2-CH2 3.89Å; F1568-W1570 HydrophobicContact CD2-CH2 3.89Å; F1568-W1570 AromaticContact CD2-CZ2 3.64Å; F1568-W1570 HydrophobicContact CD2-CZ2 3.64Å; F1568-W1570 HydrophobicContact CG-CH2 4.31Å; F1568-W1570 AromaticContact CG-CZ2 3.62Å; F1568-W1570 HydrophobicContact CG-CZ2 3.62Å; F1568-W1570 PolarHBondContact O-N 2.65Å; F1568-W1570 PolarHBondContact O-NE1 2.85Å
1569D57.4Low68.4Low127 Ų12758.2 Ų58.268%0.67929%0.287SS*.THydrogen-bonded Turntrans51.354172.8-159.215.4000115.1T1566 S1571T1566-D1569 PolarHBondContact O-N 2.78Å; D1569-S1571 VanDerWaalsContact C-N 3.31Å; D1569-S1571 PolarHBondContact O-N 2.82Å; D1569-S1571 PolarHBondContact OD1-OG 2.78Å
1570W61.3Low67.5Low19 Ų1955.5 Ų55.57%0.07227%0.274CS..  trans-86.14.5-176.6-64.5-18.1000115.2F1396 I1564 Y1565 F1568 E1572 F1574F1396-W1570 HydrophobicContact CB-CH2 3.34Å; F1396-W1570 HydrophobicContact CB-CZ2 4.26Å; F1396-W1570 HydrophobicContact CB-CZ3 3.6Å; F1396-W1570 HydrophobicContact CD1-CE3 4.08Å; F1396-W1570 HydrophobicContact CD1-CH2 4.09Å; F1396-W1570 AromaticContact CD1-CZ3 3.37Å; F1396-W1570 HydrophobicContact CD1-CZ3 3.37Å; F1396-W1570 HydrophobicContact CD2-CH2 4.4Å; F1396-W1570 HydrophobicContact CD2-CZ3 4.13Å; F1396-W1570 HydrophobicContact CE1-CE3 4.46Å; F1396-W1570 AromaticContact CE1-CZ3 3.92Å; F1396-W1570 HydrophobicContact CE1-CZ3 3.92Å; F1396-W1570 AromaticContact CG-CH2 3.77Å; F1396-W1570 HydrophobicContact CG-CH2 3.77Å; F1396-W1570 AromaticContact CG-CZ3 3.49Å; F1396-W1570 HydrophobicContact CG-CZ3 3.49Å; F1396-W1570 VanDerWaalsContact CG-CZ3 3.49Å; I1564-W1570 HydrophobicContact CG2-CH2 4.39Å; Y1565-W1570 AromaticContact CD2-CE3 3.55Å; Y1565-W1570 HydrophobicContact CD2-CE3 3.55Å; Y1565-W1570 HydrophobicContact CD2-CZ3 4.13Å; Y1565-W1570 HydrophobicContact CE2-CB 4.18Å; Y1565-W1570 HydrophobicContact CE2-CE3 4.16Å; Y1565-W1570 HydrophobicContact CG-CE3 4.23Å; F1568-W1570 HydrophobicContact CB-CD2 4.12Å; F1568-W1570 HydrophobicContact CB-CG 4.47Å; F1568-W1570 HydrophobicContact CB-CH2 4.16Å; F1568-W1570 HydrophobicContact CB-CZ2 3.35Å; F1568-W1570 VanDerWaalsContact CB-NE1 3.25Å; F1568-W1570 HydrophobicContact CD1-CZ2 4.49Å; F1568-W1570 AromaticContact CD2-CH2 3.89Å; F1568-W1570 HydrophobicContact CD2-CH2 3.89Å; F1568-W1570 AromaticContact CD2-CZ2 3.64Å; F1568-W1570 HydrophobicContact CD2-CZ2 3.64Å; F1568-W1570 HydrophobicContact CG-CH2 4.31Å; F1568-W1570 AromaticContact CG-CZ2 3.62Å; F1568-W1570 HydrophobicContact CG-CZ2 3.62Å; F1568-W1570 PolarHBondContact O-N 2.65Å; F1568-W1570 PolarHBondContact O-NE1 2.85Å; W1570-E1572 PolarHBondContact O-N 3.34Å; W1570-F1574 HydrophobicContact CB-CB 4.1Å; W1570-F1574 PolarHBondContact O-N 2.78Å
1571S56.3Low66.6Low69 Ų6952.8 Ų52.848%0.48326%0.263SS..THydrogen-bonded Turntrans-68.4-21.4-16263.10000116.3D1569D1569-S1571 VanDerWaalsContact C-N 3.31Å; D1569-S1571 PolarHBondContact O-N 2.82Å; D1569-S1571 PolarHBondContact OD1-OG 2.78Å
1572E62.4Low66Low163 Ų16353 Ų5376%0.76226%0.264SS*.THydrogen-bonded Turntrans-71.2-33-178.8-72.2-159.3149.600114.6W1570W1570-E1572 PolarHBondContact O-N 3.34Å
1573R65.9Low64.8Low56 Ų5652.1 Ų52.121%0.21126%0.259CS..THydrogen-bonded Turntrans-133.4-15.9-176.2-80.5-165.8-70.9160.29.1114.6N1404 F1407 S1409 S1413 F1414N1404-R1573 PolarHBondContact OD1-NH2 2.65Å; F1407-R1573 PolarHBondContact O-NH1 3.04Å; S1409-R1573 PolarHBondContact O-NH1 3.42Å; S1413-R1573 CarbonylContact C-O 3.55Å; F1414-R1573 WeakPolarHBondContact CD2-O 3.2Å; F1414-R1573 PolarHBondContact N-O 2.86Å
1574F68.9Low63.7Low26 Ų2649 Ų4911%0.11424%0.242CC..EExtended strand (participates in β ladder)trans-108.7148.7172.2-83.4-106.7000110.5T1403 F1414 Y1565 W1570 L1596T1403-F1574 HydrophobicContact CG2-CZ 4.02Å; T1403-F1574 VanDerWaalsContact OG1-CZ 3.27Å; T1403-F1574 WeakPolarHBondContact OG1-CZ 3.42Å; F1414-F1574 HydrophobicContact CB-CD1 3.67Å; F1414-F1574 HydrophobicContact CB-CD2 3.99Å; F1414-F1574 HydrophobicContact CB-CE1 3.58Å; F1414-F1574 HydrophobicContact CB-CE2 3.89Å; F1414-F1574 HydrophobicContact CB-CG 3.88Å; F1414-F1574 HydrophobicContact CB-CZ 3.67Å; F1414-F1574 HydrophobicContact CD1-CZ 4.13Å; F1414-F1574 HydrophobicContact CD2-CD2 4.06Å; F1414-F1574 AromaticContact CD2-CE2 3.62Å; F1414-F1574 HydrophobicContact CD2-CE2 3.62Å; F1414-F1574 AromaticContact CD2-CZ 3.99Å; F1414-F1574 HydrophobicContact CD2-CZ 3.99Å; F1414-F1574 HydrophobicContact CE2-CE2 4.29Å; F1414-F1574 HydrophobicContact CG-CD2 4.29Å; F1414-F1574 HydrophobicContact CG-CE1 4.1Å; F1414-F1574 AromaticContact CG-CE2 3.79Å; F1414-F1574 HydrophobicContact CG-CE2 3.79Å; F1414-F1574 AromaticContact CG-CZ 3.68Å; F1414-F1574 HydrophobicContact CG-CZ 3.68Å; F1414-F1574 CarbonylContact O-C 3.45Å; F1414-F1574 VanDerWaalsContact O-CA 3.28Å; F1414-F1574 WeakPolarHBondContact O-CA 3.48Å; Y1565-F1574 PolarHBondContact OH-O 2.98Å; W1570-F1574 HydrophobicContact CB-CB 4.1Å; W1570-F1574 PolarHBondContact O-N 2.78Å; F1574-L1596 HydrophobicContact CD1-CD1 4.4Å; F1574-L1596 HydrophobicContact CE1-CD1 3.82Å
1575H72.9Confident62.7Low52 Ų5248.1 Ų48.124%0.24124%0.238CC..EExtended strand (participates in β ladder)trans-137.5106.9-179.3-57.7-45.9000109.8F1414 F1415 L1416 Y1565F1414-H1575 PolarHBondContact O-N 3.45Å; F1415-H1575 CarbonylContact C-O 3.57Å; F1415-H1575 WeakPolarHBondContact CA-O 3.22Å; F1415-H1575 HydrophobicContact CD1-CB 3.67Å; F1415-H1575 HydrophobicContact CE1-CB 3.91Å; F1415-H1575 AromaticContact CE1-CD2 3.56Å; F1415-H1575 AromaticContact CE2-CD2 3.96Å; F1415-H1575 HydrophobicContact CG-CB 4.29Å; F1415-H1575 AromaticContact CZ-CD2 3.52Å; L1416-H1575 PolarHBondContact N-O 3.27Å; Y1565-H1575 WeakPolarHBondContact OH-CA 3.2Å
1576L76.4Confident61.5Low12 Ų1247.4 Ų47.46%0.06324%0.236CC..EExtended strand (participates in β ladder)trans-74.8126173.1-17461.4000110.3F1396 L1416 V1418 Y1565 F1578F1396-L1576 HydrophobicContact CZ-CD1 4.25Å; L1416-L1576 HydrophobicContact CD2-CD1 4.25Å; V1418-L1576 HydrophobicContact CB-CD1 4.22Å; V1418-L1576 HydrophobicContact CG2-CD1 3.56Å; Y1565-L1576 HydrophobicContact CD1-CB 4.4Å; Y1565-L1576 HydrophobicContact CD1-CD2 4.42Å; Y1565-L1576 HydrophobicContact CD2-CB 3.73Å; Y1565-L1576 HydrophobicContact CD2-CD2 4.04Å; Y1565-L1576 HydrophobicContact CD2-CG 4.43Å; Y1565-L1576 HydrophobicContact CE1-CB 4.25Å; Y1565-L1576 HydrophobicContact CE2-CB 3.56Å; Y1565-L1576 HydrophobicContact CG-CB 4.16Å; Y1565-L1576 HydrophobicContact CG-CD2 3.9Å; Y1565-L1576 PolarHBondContact OH-N 3.05Å; L1576-F1578 HydrophobicContact CD1-CE1 4.4Å; L1576-F1578 HydrophobicContact CD2-CE1 4.09Å; L1576-F1578 HydrophobicContact CD2-CE2 4.22Å; L1576-F1578 HydrophobicContact CD2-CZ 3.54Å; L1576-F1578 HydrophobicContact CG-CE1 4.16Å; L1576-F1578 HydrophobicContact CG-CE2 4.34Å; L1576-F1578 HydrophobicContact CG-CZ 3.88Å
1577R72.8Confident60.1Low30 Ų3047.4 Ų47.411%0.11323%0.23CC..EExtended strand (participates in β ladder)trans-125.7127.1176.6-68.4-75.1166.1149.8-6.4109.8F1415 L1416 Y1417 V1418 E1495F1415-R1577 HydrophobicContact CD1-CG 4.27Å; L1416-R1577 PolarHBondContact O-N 2.91Å; Y1417-R1577 CarbonylContact C-O 3.57Å; Y1417-R1577 VanDerWaalsContact CA-O 3.31Å; Y1417-R1577 WeakPolarHBondContact CA-O 3.26Å; Y1417-R1577 HydrophobicContact CD1-CB 3.84Å; Y1417-R1577 HydrophobicContact CE1-CB 4.02Å; Y1417-R1577 HydrophobicContact CE1-CG 4.37Å; V1418-R1577 PolarHBondContact N-O 3.13Å; E1495-R1577 IonicContact OE1-CZ 2.69Å; E1495-R1577 IonicContact OE1-NH1 3.38Å; E1495-R1577 IonicContact OE1-NH2 3.88Å; E1495-R1577 PolarHBondContact OE1-NH2 2.96Å; E1495-R1577 IonicContact OE2-CZ 3.59Å; E1495-R1577 IonicContact OE2-NH1 2.88Å; E1495-R1577 PolarHBondContact OE2-NH1 2.89Å; E1495-R1577 IonicContact OE2-NH2 3.74Å; E1495-R1577 PolarHBondContact OE2-NH2 2.69Å
1578F74.2Confident59.1Low2 Ų244.7 Ų44.71%0.00922%0.221CC..EExtended strand (participates in β ladder)trans-94.1133.3172-56.6-67.9000109.7V1418 S1526 S1527 I1529 I1532 L1558 T1562 L1576V1418-F1578 HydrophobicContact CB-CD1 4.34Å; V1418-F1578 HydrophobicContact CB-CE1 4.46Å; V1418-F1578 WeakPolarHBondContact O-CA 3.46Å; S1526-F1578 PolarHBondContact N-O 2.86Å; S1526-F1578 PolarHBondContact O-N 3.15Å; S1527-F1578 WeakPolarHBondContact O-CD2 3.36Å; S1527-F1578 WeakPolarHBondContact O-CE2 3.33Å; I1529-F1578 HydrophobicContact CB-CD2 3.95Å; I1529-F1578 HydrophobicContact CB-CE2 4.01Å; I1529-F1578 HydrophobicContact CD1-CB 4.24Å; I1529-F1578 HydrophobicContact CD1-CD1 4.44Å; I1529-F1578 HydrophobicContact CD1-CD2 4.35Å; I1529-F1578 HydrophobicContact CD1-CG 4.08Å; I1532-F1578 HydrophobicContact CD1-CB 3.44Å; I1532-F1578 VanDerWaalsContact CD1-CB 3.44Å; I1532-F1578 WeakPolarHBondContact CD1-O 3.44Å; L1558-F1578 HydrophobicContact CB-CD1 4.4Å; L1558-F1578 HydrophobicContact CB-CE1 3.95Å; L1558-F1578 HydrophobicContact CB-CZ 4.4Å; L1558-F1578 HydrophobicContact CD1-CD1 4.36Å; L1558-F1578 HydrophobicContact CD2-CD1 3.97Å; L1558-F1578 HydrophobicContact CD2-CE1 3.74Å; L1558-F1578 HydrophobicContact CG-CD1 4.47Å; L1558-F1578 HydrophobicContact CG-CE1 4.31Å; T1562-F1578 VanDerWaalsContact OG1-CZ 3.31Å; T1562-F1578 WeakPolarHBondContact OG1-CZ 3.4Å; L1576-F1578 HydrophobicContact CD1-CE1 4.4Å; L1576-F1578 HydrophobicContact CD2-CE1 4.09Å; L1576-F1578 HydrophobicContact CD2-CE2 4.22Å; L1576-F1578 HydrophobicContact CD2-CZ 3.54Å; L1576-F1578 HydrophobicContact CG-CE1 4.16Å; L1576-F1578 HydrophobicContact CG-CE2 4.34Å; L1576-F1578 HydrophobicContact CG-CZ 3.88Å
1579T69.9Low58.6Low16 Ų1641.8 Ų41.810%0.09821%0.208CC..  trans-144.5128.2176.8179.20000112.2Y1417 V1418 N1419 L1524 G1581 L1582Y1417-T1579 HydrophobicContact CD1-CG2 4.1Å; V1418-T1579 PolarHBondContact O-N 3.49Å; N1419-T1579 VanDerWaalsContact CB-O 3.32Å; N1419-T1579 WeakPolarHBondContact CB-O 2.98Å; N1419-T1579 PolarHBondContact ND2-O 3.21Å; N1419-T1579 VanDerWaalsContact ND2-O 3.14Å; L1524-T1579 PolarHBondContact O-OG1 3.42Å; T1579-G1581 PolarHBondContact O-N 3.13Å; T1579-G1581 PolarHBondContact OG1-N 2.83Å; T1579-G1581 VanDerWaalsContact OG1-N 3.07Å; T1579-L1582 HydrophobicContact CG2-CB 4.27Å; T1579-L1582 HydrophobicContact CG2-CD1 3.93Å; T1579-L1582 HydrophobicContact CG2-CG 3.75Å
1580P58.9Low58.4Low3 Ų340.9 Ų40.92%0.01920%0.203CC..THydrogen-bonded Turntrans-64.6-18.8169.5-17.833000112.8N1419 L1427 I1521 L1524 I1532 F1536N1419-P1580 PolarHBondContact ND2-O 3.06Å; L1427-P1580 HydrophobicContact CD2-CB 4.47Å; I1521-P1580 HydrophobicContact CG2-CG 4.46Å; L1524-P1580 HydrophobicContact CB-CG 4.45Å; L1524-P1580 WeakPolarHBondContact O-CD 3.28Å; I1532-P1580 HydrophobicContact CG2-CG 4Å; F1536-P1580 HydrophobicContact CE2-CB 4.07Å; F1536-P1580 HydrophobicContact CE2-CG 3.62Å; F1536-P1580 HydrophobicContact CZ-CB 3.95Å; F1536-P1580 HydrophobicContact CZ-CG 4.03Å
1581G53.4Low58.5Low5 Ų540 Ų405%0.05220%0.2CC..THydrogen-bonded Turntrans-88.813-175.100000115.4T1579 V1583T1579-G1581 PolarHBondContact O-N 3.13Å; T1579-G1581 PolarHBondContact OG1-N 2.83Å; T1579-G1581 VanDerWaalsContact OG1-N 3.07Å; G1581-V1583 VanDerWaalsContact C-N 3.27Å; G1581-V1583 VanDerWaalsContact O-CG2 3.3Å; G1581-V1583 WeakPolarHBondContact O-CG2 3.44Å; G1581-V1583 PolarHBondContact O-N 3.09Å
1582L57.1Low58.8Low10 Ų1038.7 Ų38.75%0.05219%0.187CC..  trans-70.787.3160.6-93.8164.2000108.7N1419 T1579 L1584 I1593 Q1595N1419-L1582 HydrophobicContact CB-CB 3.74Å; N1419-L1582 HydrophobicContact CB-CD1 3.76Å; N1419-L1582 HydrophobicContact CB-CG 4.39Å; T1579-L1582 HydrophobicContact CG2-CB 4.27Å; T1579-L1582 HydrophobicContact CG2-CD1 3.93Å; T1579-L1582 HydrophobicContact CG2-CG 3.75Å; L1582-L1584 PolarHBondContact O-N 3.32Å; L1582-I1593 HydrophobicContact CB-CG2 4.49Å; L1582-I1593 HydrophobicContact CD1-CG2 4.46Å; L1582-I1593 HydrophobicContact CD2-CG2 4.48Å; L1582-Q1595 HydrophobicContact CD2-CB 4.02Å
1583V49.9Very low58.9Low17 Ų1731.3 Ų31.310%0.10315%0.153CC..  trans-78.581.8-168.8-174.70000112.2W1442 L1445 L1500 I1522 G1581W1442-V1583 PolarHBondContact NE1-O 3.49Å; L1445-V1583 HydrophobicContact CB-CG1 3.5Å; L1445-V1583 VanDerWaalsContact CB-CG1 3.5Å; L1445-V1583 HydrophobicContact CB-CG2 4.38Å; L1445-V1583 HydrophobicContact CD1-CG1 4.25Å; L1500-V1583 HydrophobicContact CD1-CG2 4.08Å; L1500-V1583 HydrophobicContact CD2-CG2 4.39Å; I1522-V1583 HydrophobicContact CD1-CG2 4.46Å; G1581-V1583 VanDerWaalsContact C-N 3.27Å; G1581-V1583 VanDerWaalsContact O-CG2 3.3Å; G1581-V1583 WeakPolarHBondContact O-CG2 3.44Å; G1581-V1583 PolarHBondContact O-N 3.09Å
1584L48.5Very low58.9Low26 Ų2629.3 Ų29.314%0.13615%0.146CC..  trans-109.5154.2166.5-64.7-174.4000112.1L1582 H1586 I1593 I1661L1582-L1584 PolarHBondContact O-N 3.32Å; L1584-H1586 PolarHBondContact O-N 2.9Å; L1584-I1593 HydrophobicContact CB-CD1 3.99Å; L1584-I1593 HydrophobicContact CD1-CB 4.39Å; L1584-I1593 HydrophobicContact CD1-CD1 4.04Å; L1584-I1593 HydrophobicContact CD1-CG1 4Å; L1584-I1593 HydrophobicContact CD1-CG2 3.5Å; L1584-I1593 HydrophobicContact CG-CD1 4.43Å; L1584-I1593 HydrophobicContact CG-CG2 4.27Å; L1584-I1661 HydrophobicContact CD1-CD1 3.99Å; L1584-I1661 HydrophobicContact CD2-CD1 4.36Å; L1584-I1661 HydrophobicContact CD2-CG1 4.15Å
1585P45.7Very low58.7Low6 Ų629 Ų294%0.03915%0.145CC..  trans-69.999.2-167.27.2-9.1000114.2W1442 H1587 M1588 Y1589W1442-P1585 HydrophobicContact CD2-CB 3.47Å; W1442-P1585 VanDerWaalsContact CD2-CB 3.47Å; W1442-P1585 HydrophobicContact CD2-CG 3.78Å; W1442-P1585 HydrophobicContact CE3-CB 3.72Å; W1442-P1585 HydrophobicContact CE3-CG 3.98Å; W1442-P1585 HydrophobicContact CG-CB 3.83Å; W1442-P1585 HydrophobicContact CH2-CB 4.48Å; W1442-P1585 HydrophobicContact CH2-CG 3.82Å; W1442-P1585 HydrophobicContact CZ2-CB 4.28Å; W1442-P1585 VanDerWaalsContact CZ2-CD 3.48Å; W1442-P1585 HydrophobicContact CZ2-CG 3.6Å; W1442-P1585 HydrophobicContact CZ3-CB 4.22Å; W1442-P1585 HydrophobicContact CZ3-CG 3.98Å; P1585-H1587 WeakPolarHBondContact CB-CE1 3.23Å; P1585-H1587 PolarHBondContact O-N 3.41Å; P1585-M1588 PolarHBondContact O-N 3.35Å; P1585-Y1589 HydrophobicContact CB-CE2 4.08Å; P1585-Y1589 HydrophobicContact CG-CE2 3.67Å; P1585-Y1589 WeakPolarHBondContact O-CD2 3.36Å; P1585-Y1589 WeakPolarHBondContact O-CE2 3.42Å
1586H42.4Very low58.2Low18 Ų1826.6 Ų26.68%0.08313%0.134CC..THydrogen-bonded Turntrans-53.9-11.4-169.9103.3-44.6000117.9I1424 F1428 R1438 L1584I1424-H1586 HydrophobicContact CB-CB 4.41Å; I1424-H1586 HydrophobicContact CG2-CB 3.71Å; F1428-H1586 HydrophobicContact CD2-CB 4.04Å; F1428-H1586 AromaticContact CD2-CD2 3.69Å; F1428-H1586 AromaticContact CD2-CG 3.5Å; F1428-H1586 AromaticContact CD2-ND1 3.89Å; F1428-H1586 HydrophobicContact CE2-CB 3.69Å; F1428-H1586 AromaticContact CE2-CE1 3.98Å; F1428-H1586 AromaticContact CE2-CG 3.48Å; F1428-H1586 VanDerWaalsContact CE2-CG 3.48Å; F1428-H1586 AromaticContact CE2-ND1 3.73Å; R1438-H1586 WeakPolarHBondContact CD-NE2 3.49Å; L1584-H1586 PolarHBondContact O-N 2.9Å
1587H44.1Very low57.4Low82 Ų8226.2 Ų26.238%0.3813%0.132SC..THydrogen-bonded Turntrans-97.5-0.1-166.946.4-74000113.4A1439 P1585A1439-H1587 VanDerWaalsContact CA-CE1 3.46Å; A1439-H1587 WeakPolarHBondContact CA-CE1 3.39Å; A1439-H1587 WeakPolarHBondContact CB-NE2 3.26Å; P1585-H1587 WeakPolarHBondContact CB-CE1 3.23Å; P1585-H1587 PolarHBondContact O-N 3.41Å
1588M42.7Very low56.7Low111 Ų11125 Ų2555%0.54713%0.128SC..SBendtrans-126.77.8177.8-57.8-166.973.900113.9P1585P1585-M1588 PolarHBondContact O-N 3.35Å
1589Y49.4Very low55.8Low27 Ų2726.2 Ų26.211%0.10613%0.134CC..  trans-136.9155.5-170.5-45.4-55.9000114.3K1425 P1585 Y1657 L1660K1425-Y1589 PolarHBondContact NZ-O 2.8Å; P1585-Y1589 HydrophobicContact CB-CE2 4.08Å; P1585-Y1589 HydrophobicContact CG-CE2 3.67Å; P1585-Y1589 WeakPolarHBondContact O-CD2 3.36Å; P1585-Y1589 WeakPolarHBondContact O-CE2 3.42Å; Y1589-Y1657 AromaticContact CD1-CD2 3.25Å; Y1589-Y1657 HydrophobicContact CD1-CD2 3.25Å; Y1589-Y1657 AromaticContact CD1-CE2 3.62Å; Y1589-Y1657 HydrophobicContact CD1-CE2 3.62Å; Y1589-Y1657 HydrophobicContact CD1-CG 4.07Å; Y1589-Y1657 HydrophobicContact CE1-CD1 4.43Å; Y1589-Y1657 AromaticContact CE1-CD2 3.24Å; Y1589-Y1657 HydrophobicContact CE1-CD2 3.24Å; Y1589-Y1657 AromaticContact CE1-CE2 3.9Å; Y1589-Y1657 HydrophobicContact CE1-CE2 3.9Å; Y1589-Y1657 AromaticContact CE1-CG 3.57Å; Y1589-Y1657 HydrophobicContact CE1-CG 3.57Å; Y1589-L1660 WeakPolarHBondContact OH-CD1 3.48Å
1590N53.4Low54.8Low109 Ų10926.2 Ų26.258%0.58314%0.138SC*.  trans-143.726.3179.2-140.129.6000115.1N1387 K1425 E1656N1387-N1590 PolarHBondContact ND2-O 3.05Å; K1425-N1590 PolarHBondContact NZ-OD1 3.32Å; N1590-E1656 PolarHBondContact N-OE2 2.9Å
1591G62.9Low54.1Low1 Ų130.1 Ų30.11%0.0116%0.159CC..SBendtrans-132.3-152178.700000116.6N1387 H1420 T1421 E1656N1387-G1591 VanDerWaalsContact OD1-CA 3.31Å; N1387-G1591 WeakPolarHBondContact OD1-CA 3.27Å; H1420-G1591 PolarHBondContact CD2-O 2.94Å; T1421-G1591 WeakPolarHBondContact CG2-O 3.43Å; T1421-G1591 PolarHBondContact N-O 2.89Å; T1421-G1591 VanDerWaalsContact N-O 3.14Å; T1421-G1591 PolarHBondContact OG1-N 2.97Å; T1421-G1591 PolarHBondContact OG1-O 2.89Å; T1421-G1591 VanDerWaalsContact OG1-O 3.12Å; G1591-E1656 PolarHBondContact N-OE2 3.38Å
1592L62.8Low53.3Low40 Ų4036.9 Ų36.921%0.20919%0.193CC..EExtended strand (participates in β ladder)trans-86.8147.3178.1-165.777.1000112A1392 V1418 L1558 L1561A1392-L1592 HydrophobicContact CB-CD2 4.28Å; V1418-L1592 HydrophobicContact CG1-CD1 3.65Å; V1418-L1592 HydrophobicContact CG1-CD2 4.38Å; V1418-L1592 HydrophobicContact CG1-CG 4.09Å; L1558-L1592 HydrophobicContact CD2-CD1 3.99Å; L1561-L1592 HydrophobicContact CD1-CD1 3.84Å; L1561-L1592 HydrophobicContact CD1-CD2 3.83Å
1593I64.2Low52.1Low8 Ų840.2 Ų40.24%0.04122%0.217CC..EExtended strand (participates in β ladder)trans-127.7135.6176.2-65.4158.9000108.8V1418 N1419 T1421 I1424 L1582 L1584V1418-I1593 WeakPolarHBondContact CA-O 3.33Å; N1419-I1593 PolarHBondContact N-O 3.49Å; N1419-I1593 PolarHBondContact O-N 3.2Å; T1421-I1593 HydrophobicContact CG2-CD1 4.11Å; I1424-I1593 HydrophobicContact CD1-CD1 4.12Å; L1582-I1593 HydrophobicContact CB-CG2 4.49Å; L1582-I1593 HydrophobicContact CD1-CG2 4.46Å; L1582-I1593 HydrophobicContact CD2-CG2 4.48Å; L1584-I1593 HydrophobicContact CB-CD1 3.99Å; L1584-I1593 HydrophobicContact CD1-CB 4.39Å; L1584-I1593 HydrophobicContact CD1-CD1 4.04Å; L1584-I1593 HydrophobicContact CD1-CG1 4Å; L1584-I1593 HydrophobicContact CD1-CG2 3.5Å; L1584-I1593 HydrophobicContact CG-CD1 4.43Å; L1584-I1593 HydrophobicContact CG-CG2 4.27Å
1594F67.1Low51.1Low15 Ų1545.2 Ų45.27%0.06625%0.25CC..EExtended strand (participates in β ladder)trans-135.9153.5175.270.6-89.1000114L1395 L1416 Y1417 V1418 Q1653 G1654L1395-F1594 HydrophobicContact CD1-CE1 4.03Å; L1395-F1594 HydrophobicContact CD1-CZ 3.79Å; L1395-F1594 HydrophobicContact CD2-CD1 3.72Å; L1395-F1594 HydrophobicContact CD2-CD2 4.38Å; L1395-F1594 HydrophobicContact CD2-CE1 3.46Å; L1395-F1594 VanDerWaalsContact CD2-CE1 3.46Å; L1395-F1594 HydrophobicContact CD2-CE2 4.16Å; L1395-F1594 HydrophobicContact CD2-CG 4.18Å; L1395-F1594 HydrophobicContact CD2-CZ 3.71Å; L1395-F1594 HydrophobicContact CG-CE1 4.39Å; L1395-F1594 HydrophobicContact CG-CZ 4.31Å; L1416-F1594 HydrophobicContact CD1-CB 4.2Å; L1416-F1594 HydrophobicContact CD1-CD2 4.04Å; Y1417-F1594 CarbonylContact O-C 3.54Å; Y1417-F1594 VanDerWaalsContact O-CA 3.26Å; Y1417-F1594 WeakPolarHBondContact O-CA 3.21Å; V1418-F1594 HydrophobicContact CG2-CB 4.25Å; F1594-Q1653 WeakPolarHBondContact O-CA 3.3Å; F1594-G1654 WeakPolarHBondContact CD1-O 3.47Å; F1594-G1654 PolarHBondContact N-O 2.79Å; F1594-G1654 PolarHBondContact O-N 3.22Å
1595Q63.2Low50.1Low20 Ų2053.6 Ų53.69%0.09329%0.285CS..EExtended strand (participates in β ladder)trans-141.2119.5171.2-178.5164.956.700109.6Y1417 L1582 V1597 V1650 Q1653Y1417-Q1595 PolarHBondContact N-O 3.11Å; Y1417-Q1595 PolarHBondContact O-N 2.95Å; L1582-Q1595 HydrophobicContact CD2-CB 4.02Å; Q1595-V1597 HydrophobicContact CG-CG2 4.32Å; Q1595-V1650 HydrophobicContact CG-CG1 4Å; Q1595-Q1653 HydrophobicContact CB-CB 4.43Å; Q1595-Q1653 HydrophobicContact CG-CB 4.34Å
1596L63.9Low49.1Very low1 Ų158.3 Ų58.31%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-94.7124.6178.2-178.563.5000110.4L1399 T1403 F1414 L1416 F1574 L1651 G1652L1399-L1596 HydrophobicContact CD2-CD2 4Å; T1403-L1596 HydrophobicContact CG2-CD2 4.45Å; F1414-L1596 HydrophobicContact CB-CD1 4.18Å; L1416-L1596 HydrophobicContact CB-CD1 4.3Å; L1416-L1596 HydrophobicContact CD1-CB 3.8Å; L1416-L1596 HydrophobicContact CD1-CD1 4.03Å; L1416-L1596 HydrophobicContact CD1-CG 4.5Å; F1574-L1596 HydrophobicContact CD1-CD1 4.4Å; F1574-L1596 HydrophobicContact CE1-CD1 3.82Å; L1596-L1651 HydrophobicContact CD2-CB 4.37Å; L1596-L1651 HydrophobicContact CG-CB 4.36Å; L1596-L1651 PolarHBondContact O-N 2.77Å; L1596-G1652 PolarHBondContact N-O 2.74Å; L1596-G1652 PolarHBondContact O-N 2.79Å
1597V58.8Low48.4Very low3 Ų363.9 Ų63.92%0.01835%0.354CS..EExtended strand (participates in β ladder)trans-121.6145.8-178.4171.20000109.3F1414 F1415 Y1417 Q1595 L1648 Y1649 V1650F1414-V1597 CarbonylContact C-O 3.47Å; F1414-V1597 WeakPolarHBondContact CA-O 3.48Å; F1415-V1597 HydrophobicContact CB-CB 4.27Å; F1415-V1597 PolarHBondContact N-O 3.47Å; F1415-V1597 PolarHBondContact O-N 2.85Å; Y1417-V1597 HydrophobicContact CD2-CB 4.41Å; Y1417-V1597 HydrophobicContact CD2-CG2 3.91Å; Y1417-V1597 HydrophobicContact CE2-CB 4.04Å; Y1417-V1597 HydrophobicContact CE2-CG2 3.78Å; Q1595-V1597 HydrophobicContact CG-CG2 4.32Å; V1597-L1648 HydrophobicContact CG1-CD1 4.16Å; V1597-L1648 HydrophobicContact CG1-CD2 3.45Å; V1597-L1648 VanDerWaalsContact CG1-CD2 3.45Å; V1597-L1648 HydrophobicContact CG1-CG 3.48Å; V1597-L1648 VanDerWaalsContact CG1-CG 3.48Å; V1597-L1648 HydrophobicContact CG2-CD2 4.36Å; V1597-Y1649 CarbonylContact C-O 3.55Å; V1597-Y1649 VanDerWaalsContact CA-O 3.23Å; V1597-Y1649 WeakPolarHBondContact CA-O 3.36Å; V1597-V1650 HydrophobicContact CG2-CG2 4.32Å
1598A58.5Low47.5Very low5 Ų565.8 Ų65.84%0.04137%0.371CS..EExtended strand (participates in β ladder)trans-120137.1170.200000111.1I1412 S1413 F1414 Y1649 L1651I1412-A1598 HydrophobicContact CG2-CB 3.75Å; S1413-A1598 CarbonylContact O-C 3.58Å; S1413-A1598 WeakPolarHBondContact O-CA 3.29Å; F1414-A1598 HydrophobicContact CD1-CB 3.95Å; F1414-A1598 HydrophobicContact CE1-CB 4.06Å; A1598-Y1649 PolarHBondContact N-O 2.85Å; A1598-Y1649 PolarHBondContact O-N 3.32Å; A1598-L1651 HydrophobicContact CB-CD1 3.62Å; A1598-L1651 HydrophobicContact CB-CD2 4.46Å; A1598-L1651 HydrophobicContact CB-CG 3.89Å
1599L54.6Low46.5Very low27 Ų2768 Ų6814%0.14138%0.384CS..EExtended strand (participates in β ladder)trans-118.1125.1175.9-161.382.2000107.9S1413 F1415 P1496 P1646 L1648S1413-L1599 PolarHBondContact N-O 3.19Å; S1413-L1599 PolarHBondContact O-N 2.68Å; F1415-L1599 HydrophobicContact CD2-CB 4.26Å; F1415-L1599 HydrophobicContact CE2-CB 3.83Å; F1415-L1599 HydrophobicContact CE2-CD2 4.08Å; P1496-L1599 HydrophobicContact CG-CD1 4.35Å; P1496-L1599 HydrophobicContact CG-CD2 4.2Å; L1599-P1646 HydrophobicContact CD1-CB 4Å; L1599-P1646 HydrophobicContact CG-CB 4.24Å; L1599-L1648 HydrophobicContact CD1-CB 4.21Å; L1599-L1648 HydrophobicContact CD1-CD1 4.11Å; L1599-L1648 HydrophobicContact CD1-CG 4.32Å
1600G49.7Very low45.3Very low17 Ų1771.9 Ų71.918%0.17542%0.416CS..EExtended strand (participates in β ladder)trans-122.3131176.900000111.2
1601D44.5Very low44Very low85 Ų8571.7 Ų71.746%0.45542%0.423SS..  trans-98.7100-171.1-145.238.3000111.4S1603D1601-S1603 VanDerWaalsContact C-N 3.31Å; D1601-S1603 PolarHBondContact O-N 3.42Å
1602L36.5Very low42.1Very low147 Ų14776.6 Ų76.677%0.7746%0.457SS*.  trans-81.568.9-178.4-81.8165.1000112.2
1603S30.5Very low40.3Very low79 Ų7981.5 Ų81.555%0.55249%0.489SS*.  trans-100.6118.8172.887.90000112.1D1601 K1605D1601-S1603 VanDerWaalsContact C-N 3.31Å; D1601-S1603 PolarHBondContact O-N 3.42Å; S1603-K1605 PolarHBondContact O-N 2.92Å
1604P30.6Very low38.4Very low122 Ų12286 Ų8679%0.79252%0.521SS*.  trans-91.697.6-175.633.3-32.7000112.3
1605K27Very low36.3Very low202 Ų20291.5 Ų91.588%0.87855%0.55SS*.  trans-96.488.9172.6-77.5-173177.6176.30112.6S1603S1603-K1605 PolarHBondContact O-N 2.92Å
1606S24.2Very low34.5Very low106 Ų106100.5 Ų100.574%0.74158%0.584SS**  trans-103.8115.3173.358.90000112.7
1607T27Very low32.4Very low134 Ų134110.9 Ų110.982%0.82263%0.625SS**  trans-151.790.9159.925.60000113
1608V26.1Very low31Very low123 Ų123115.7 Ų115.775%0.74566%0.656SS**  60.6103.5120.9177.90000120.6
1609L22.7Very low29.3Very low156 Ų156125.8 Ų125.882%0.81769%0.693SS**  46.6132.4123.2-63.5150.9000120.5
1610S22.7Very low28Very low110 Ų110131.9 Ų131.977%0.76972%0.721SS**  175174.870.545.20000115
1611S26.6Very low26.8Very low105 Ų105138 Ų13873%0.73475%0.748SS**  trans82.286.316270.40000123.1
1612S23.2Very low25.9Very low104 Ų104142.1 Ų142.173%0.72777%0.765SS**  18.3132.3124.656.90000123.8
1613T25.4Very low25.4Very low143 Ų143141.8 Ų141.888%0.87776%0.764SS**  -171.5165.2100.920.20000114.6
1614S23Very low25.2Very low103 Ų103142 Ų14272%0.7277%0.765SS**  trans-87.6-167.3-172.338.60000113.2
1615I23.7Very low24.7Very low130 Ų130141.9 Ų141.967%0.66777%0.767SS**  cis-161140.627.3-44.9160.3000110.9
1616Y24.6Very low24.7Very low208 Ų208139 Ų13982%0.81676%0.761SS**  155.6119.5124.4-96-70.4000116
1617Y21.5Very low24.5Very low219 Ų219143.7 Ų143.786%0.85977%0.768SS**  trans-123.7155.8161.3-102.7-79.3000106.2
1618P27.6Very low24.3Very low105 Ų105145.8 Ų145.868%0.68277%0.77SS**  -160.2146.494.837.5-16.3000119.5
1619R23.3Very low24.1Very low216 Ų216147.4 Ų147.482%0.81577%0.774SS**  trans65.1151.4147.3-59.7169.5-171.8-179.52.6118.5
1620H28.3Very low24.6Very low156 Ų156144.5 Ų144.572%0.72277%0.765SS**  cis-132.616514.7-100.6-84.5000113.5
1621L24Very low24.6Very low144 Ų144148.5 Ų148.575%0.75477%0.768SS**  trans-48.8155.6163.8-59.2103.9000112.4
1622E25.8Very low24.4Very low172 Ų172151 Ų15180%0.80477%0.772SS**  cis-149.1151.640.7-125.5140.1-124.500114.2
1623D26.3Very low24.4Very low141 Ų141153 Ų15375%0.75478%0.775SS**  trans19.787.9171.5-74.7-53.6000125.9
1624S25.2Very low24.2Very low82 Ų82153.4 Ų153.457%0.57377%0.77SS**  68.157.398.6750000121.7I1626S1624-I1626 PolarHBondContact O-N 2.84Å; S1624-I1626 VanDerWaalsContact O-N 3.16Å
1625S21.2Very low24.3Very low120 Ų120156.5 Ų156.584%0.83978%0.778SS**  trans-63.9107.1147.262.50000111.4K1627S1625-K1627 PolarHBondContact O-N 3.37Å; S1625-K1627 VanDerWaalsContact O-N 3.16Å
1626I26.5Very low24.3Very low143 Ų143157.4 Ų157.473%0.73378%0.783SS**  trans-84.392.3-179.8-57.1-178.5000111.8S1624 M1628S1624-I1626 PolarHBondContact O-N 2.84Å; S1624-I1626 VanDerWaalsContact O-N 3.16Å; I1626-M1628 HydrophobicContact CG2-CB 4.1Å; I1626-M1628 HydrophobicContact CG2-CG 4.09Å
1627K20.7Very low24.3Very low204 Ų204152 Ų15289%0.88778%0.781SS**  trans-82.8121.7144.6-78.9179.4175.9175.30107.9S1625S1625-K1627 PolarHBondContact O-N 3.37Å; S1625-K1627 VanDerWaalsContact O-N 3.16Å
1628M23Very low24.4Very low178 Ų178146.6 Ų146.688%0.87778%0.776SS**  trans-141.9121.6165.8-91-123.417700113.8I1626I1626-M1628 HydrophobicContact CG2-CB 4.1Å; I1626-M1628 HydrophobicContact CG2-CG 4.09Å
1629N22.1Very low24.3Very low156 Ų156146.5 Ų146.583%0.83478%0.777SS**  trans-162.4151.5156.9-133.6-8.9000105.3
1630P32.9Very low24.3Very low96 Ų96147.3 Ų147.362%0.62378%0.78SS**  cis-134.7170.9-13.541.9-27000114.6
1631K21.2Very low24.2Very low193 Ų193145.2 Ų145.284%0.83977%0.773SS**  trans69.8136.4164-56.9176.1179.4177.80119
1632I22.3Very low24.2Very low157 Ų157144.8 Ų144.881%0.80577%0.772SS**  -173.9139.6121.8-98.8163.3000113
1633N23.2Very low24.3Very low147 Ų147144 Ų14479%0.78677%0.773SS**  trans34.8124158.9-61.7-11.4000124.8
1634I22.4Very low24.4Very low151 Ų151143.9 Ų143.977%0.77478%0.777SS**  trans-68.3144146.5-63.2157.8000109.5I1636I1634-I1636 HydrophobicContact CG2-CG1 4Å
1635N24.6Very low24.7Very low168 Ų168144.5 Ų144.590%0.89878%0.782SS**  trans-133127.8167.3-136.5-6.3000110.7
1636I23.8Very low25.6Very low150 Ų150142.2 Ų142.277%0.76976%0.764SS**  trans-103.8133.2-164-62.3169.6000111.7I1634I1634-I1636 HydrophobicContact CG2-CG1 4Å
1637A24.4Very low26.3Very low93 Ų93138.1 Ų138.177%0.76974%0.743SS**  trans-154.2133.9154.700000110.1
1638S23.1Very low27.4Very low107 Ų107131.8 Ų131.875%0.74872%0.719SS**  cis170.598-20.144.10000106.9
1639S25.4Very low28.7Very low102 Ų102127.9 Ų127.971%0.71370%0.695SS**  trans-157.3121160.963.10000112.7
1640R23.6Very low30Very low234 Ų234123.8 Ų123.888%0.88368%0.675SS**  trans-74.6142.3-173.9-54.7165.9179.3165.7-2.6113.1
1641I26.7Very low30.6Very low112 Ų112119.7 Ų119.757%0.57465%0.648SS**  trans-137.7133.2136.5-63.9-170.5000107.4P1676I1641-P1676 HydrophobicContact CB-CB 4.02Å; I1641-P1676 HydrophobicContact CB-CG 4.46Å; I1641-P1676 HydrophobicContact CD1-CB 3.72Å; I1641-P1676 HydrophobicContact CG1-CB 3.85Å
1642N24.6Very low31.9Very low134 Ų134110.9 Ų110.972%0.71761%0.612SS**  trans-84.6129.5-179.8-59.2-18.5000110.9
1643D27.2Very low33.5Very low156 Ų156105.9 Ų105.983%0.83459%0.586SS**  trans-160.6104.2145.9-102.4-32.6000108.3S1645D1643-S1645 PolarHBondContact O-N 2.76Å
1644T27.8Very low34.8Very low138 Ų13898.9 Ų98.985%0.84755%0.548SS*.  trans-91.785.3-172.951.20000111.4
1645S31.4Very low36Very low95 Ų9592.5 Ų92.566%0.66452%0.519SS*.  trans-118.8129.7166.7-59.50000109.2D1643 I1647D1643-S1645 PolarHBondContact O-N 2.76Å; S1645-I1647 PolarHBondContact O-N 3.39Å
1646P40.5Very low36.9Very low72 Ų7288.2 Ų88.247%0.46849%0.494SS..  trans-68.6126.3178.728.7-34.2000110.1L1599L1599-P1646 HydrophobicContact CD1-CB 4Å; L1599-P1646 HydrophobicContact CG-CB 4.24Å
1647I42.3Very low37.6Very low57 Ų5785.5 Ų85.529%0.29248%0.475SS..EExtended strand (participates in β ladder)trans-83126-176.6-57.2177.6000109.1S1645 Y1649S1645-I1647 PolarHBondContact O-N 3.39Å; I1647-Y1649 HydrophobicContact CB-CE2 3.99Å; I1647-Y1649 HydrophobicContact CG2-CD2 4.23Å; I1647-Y1649 HydrophobicContact CG2-CE1 4.04Å; I1647-Y1649 HydrophobicContact CG2-CE2 3.66Å
1648L43.4Very low38.3Very low72 Ų7281.9 Ų81.938%0.37744%0.443SS..EExtended strand (participates in β ladder)trans-106.8103.8-172.3-167.6144.9000109.5P1496 V1597 L1599P1496-L1648 HydrophobicContact CB-CD1 4.05Å; P1496-L1648 HydrophobicContact CG-CD1 4.48Å; V1597-L1648 HydrophobicContact CG1-CD1 4.16Å; V1597-L1648 HydrophobicContact CG1-CD2 3.45Å; V1597-L1648 VanDerWaalsContact CG1-CD2 3.45Å; V1597-L1648 HydrophobicContact CG1-CG 3.48Å; V1597-L1648 VanDerWaalsContact CG1-CG 3.48Å; V1597-L1648 HydrophobicContact CG2-CD2 4.36Å; L1599-L1648 HydrophobicContact CD1-CB 4.21Å; L1599-L1648 HydrophobicContact CD1-CD1 4.11Å; L1599-L1648 HydrophobicContact CD1-CG 4.32Å
1649Y49.6Very low39.1Very low95 Ų9581.4 Ų81.437%0.37343%0.428SS..EExtended strand (participates in β ladder)trans-92.5122.6-177.5-62.1-87.3000110.4V1597 A1598 I1647 L1651V1597-Y1649 CarbonylContact C-O 3.55Å; V1597-Y1649 VanDerWaalsContact CA-O 3.23Å; V1597-Y1649 WeakPolarHBondContact CA-O 3.36Å; A1598-Y1649 PolarHBondContact N-O 2.85Å; A1598-Y1649 PolarHBondContact O-N 3.32Å; I1647-Y1649 HydrophobicContact CB-CE2 3.99Å; I1647-Y1649 HydrophobicContact CG2-CD2 4.23Å; I1647-Y1649 HydrophobicContact CG2-CE1 4.04Å; I1647-Y1649 HydrophobicContact CG2-CE2 3.66Å; Y1649-L1651 PolarHBondContact O-N 3.21Å
1650V49.9Very low39.5Very low71 Ų7178.8 Ų78.843%0.4341%0.406SS..EExtended strand (participates in β ladder)trans-81.4107.1166.9-177.60000107.7Q1595 V1597Q1595-V1650 HydrophobicContact CG-CG1 4Å; V1597-V1650 HydrophobicContact CG2-CG2 4.32Å
1651L45.3Very low40.3Very low9 Ų968.3 Ų68.35%0.04737%0.367CS..EExtended strand (participates in β ladder)trans-82.9-35.1-177.2-67-175.3000112.6F1407 F1414 L1596 A1598 Y1649 I1703F1407-L1651 HydrophobicContact CE2-CD1 3.91Å; F1407-L1651 HydrophobicContact CZ-CD1 4.17Å; F1407-L1651 HydrophobicContact CZ-CD2 4.17Å; F1414-L1651 HydrophobicContact CD1-CD1 3.77Å; F1414-L1651 HydrophobicContact CE1-CD1 3.52Å; L1596-L1651 HydrophobicContact CD2-CB 4.37Å; L1596-L1651 HydrophobicContact CG-CB 4.36Å; L1596-L1651 PolarHBondContact O-N 2.77Å; A1598-L1651 HydrophobicContact CB-CD1 3.62Å; A1598-L1651 HydrophobicContact CB-CD2 4.46Å; A1598-L1651 HydrophobicContact CB-CG 3.89Å; Y1649-L1651 PolarHBondContact O-N 3.21Å; L1651-I1703 CarbonylContact O-C 3.55Å; L1651-I1703 VanDerWaalsContact O-CA 3.32Å; L1651-I1703 WeakPolarHBondContact O-CA 3.17Å; L1651-I1703 WeakPolarHBondContact O-CB 3.39Å; L1651-I1703 PolarHBondContact O-N 3.11Å; L1651-I1703 VanDerWaalsContact O-O 3.11Å
1652G49.7Very low40.8Very low9 Ų966.7 Ų66.79%0.09337%0.371CS..EExtended strand (participates in β ladder)trans-165.6163.1-178.500000112.2L1596L1596-G1652 PolarHBondContact N-O 2.74Å; L1596-G1652 PolarHBondContact O-N 2.79Å
1653Q54.6Low41.4Very low52 Ų5267.8 Ų67.824%0.24337%0.369CS..EExtended strand (participates in β ladder)trans-155.7151.5-179.962-157.4-7.700108.7F1594 Q1595 N1658 I1661F1594-Q1653 WeakPolarHBondContact O-CA 3.3Å; Q1595-Q1653 HydrophobicContact CB-CB 4.43Å; Q1595-Q1653 HydrophobicContact CG-CB 4.34Å; Q1653-N1658 PolarHBondContact O-OD1 2.86Å; Q1653-I1661 VanDerWaalsContact CD-CG2 3.48Å; Q1653-I1661 HydrophobicContact CG-CD1 4.43Å; Q1653-I1661 HydrophobicContact CG-CG2 4.21Å
1654G50.2Low41.8Very low0 Ų064.6 Ų64.60%035%0.349CS..EExtended strand (participates in β ladder)trans-168.1162.2-177.700000115.7F1594F1594-G1654 WeakPolarHBondContact CD1-O 3.47Å; F1594-G1654 PolarHBondContact N-O 2.79Å; F1594-G1654 PolarHBondContact O-N 3.22Å
1655G48.3Very low42.1Very low16 Ų1660 Ų6017%0.16532%0.322CS..SBendtrans169.5178.9-177.700000108.2Y1657G1655-Y1657 PolarHBondContact O-N 3.1Å
1656E42.9Very low42.2Very low78 Ų7859.7 Ų59.736%0.36432%0.316SS..SBendtrans-58.5-13.2-169.9-65.2163.7156.900115.8N1387 N1590 G1591N1387-E1656 PolarHBondContact ND2-OE1 3.18Å; N1590-E1656 PolarHBondContact N-OE2 2.9Å; G1591-E1656 PolarHBondContact N-OE2 3.38Å
1657Y39.1Very low41.8Very low93 Ų9357.3 Ų57.337%0.36530%0.301SS..  trans-146.783.5-175.8-60.3-107.6000112Y1589 G1655 H1659Y1589-Y1657 AromaticContact CD1-CD2 3.25Å; Y1589-Y1657 HydrophobicContact CD1-CD2 3.25Å; Y1589-Y1657 AromaticContact CD1-CE2 3.62Å; Y1589-Y1657 HydrophobicContact CD1-CE2 3.62Å; Y1589-Y1657 HydrophobicContact CD1-CG 4.07Å; Y1589-Y1657 HydrophobicContact CE1-CD1 4.43Å; Y1589-Y1657 AromaticContact CE1-CD2 3.24Å; Y1589-Y1657 HydrophobicContact CE1-CD2 3.24Å; Y1589-Y1657 AromaticContact CE1-CE2 3.9Å; Y1589-Y1657 HydrophobicContact CE1-CE2 3.9Å; Y1589-Y1657 AromaticContact CE1-CG 3.57Å; Y1589-Y1657 HydrophobicContact CE1-CG 3.57Å; G1655-Y1657 PolarHBondContact O-N 3.1Å; Y1657-H1659 AromaticContact CD1-CE1 3.99Å; Y1657-H1659 PolarHBondContact O-N 2.86Å
1658N39.2Very low41.2Very low18 Ų1864.3 Ų64.310%0.09633%0.329CS..G310 helixtrans-73.4-22.6-172.5-94.8-58.3000115Q1653 L1660 I1661 L1705 F1707Q1653-N1658 PolarHBondContact O-OD1 2.86Å; N1658-L1660 VanDerWaalsContact C-N 3.26Å; N1658-L1660 PolarHBondContact O-N 2.83Å; N1658-I1661 PolarHBondContact O-N 3.3Å; N1658-I1661 VanDerWaalsContact O-N 3.15Å; N1658-L1705 PolarHBondContact ND2-O 2.99Å; N1658-L1705 VanDerWaalsContact ND2-O 3.1Å; N1658-F1707 PolarHBondContact N-O 3.15Å; N1658-F1707 PolarHBondContact ND2-N 3.33Å; N1658-F1707 VanDerWaalsContact ND2-N 3.16Å
1659H39.8Very low40.7Very low96 Ų9666.4 Ų66.444%0.44434%0.337SS..G310 helixtrans-63.3-23.9-174.362.8-105.4000114.7Y1657 D1708Y1657-H1659 AromaticContact CD1-CE1 3.99Å; Y1657-H1659 PolarHBondContact O-N 2.86Å; H1659-D1708 IonicContact CE1-OD1 2.72Å; H1659-D1708 IonicContact CG-OD1 4Å; H1659-D1708 IonicContact ND1-OD1 3.84Å; H1659-D1708 PolarHBondContact ND1-OD1 2.7Å; H1659-D1708 IonicContact ND1-OD2 3.65Å
1660L34.8Very low39.7Very low48 Ų4868.3 Ų68.325%0.25135%0.347SS..G310 helixtrans-79-27.1177.3-82.7163.4000113.4Y1589 N1658 K1663Y1589-L1660 WeakPolarHBondContact OH-CD1 3.48Å; N1658-L1660 VanDerWaalsContact C-N 3.26Å; N1658-L1660 PolarHBondContact O-N 2.83Å; L1660-K1663 PolarHBondContact O-N 2.79Å
1661I38.6Very low38.7Very low13 Ų1368.3 Ų68.37%0.06736%0.361CS..Hα-helixtrans-73.1-38.9-177.1-44.6-178.7000110.4L1584 Q1653 N1658 K1663 H1664 C1665L1584-I1661 HydrophobicContact CD1-CD1 3.99Å; L1584-I1661 HydrophobicContact CD2-CD1 4.36Å; L1584-I1661 HydrophobicContact CD2-CG1 4.15Å; Q1653-I1661 VanDerWaalsContact CD-CG2 3.48Å; Q1653-I1661 HydrophobicContact CG-CD1 4.43Å; Q1653-I1661 HydrophobicContact CG-CG2 4.21Å; N1658-I1661 PolarHBondContact O-N 3.3Å; N1658-I1661 VanDerWaalsContact O-N 3.15Å; I1661-K1663 PolarHBondContact O-N 3.42Å; I1661-K1663 VanDerWaalsContact O-N 3.16Å; I1661-H1664 PolarHBondContact O-N 2.94Å; I1661-C1665 HydrophobicContact CG2-CB 3.93Å; I1661-C1665 WeakPolarHBondContact O-CB 3.43Å; I1661-C1665 PolarHBondContact O-N 3.43Å
1662A38.7Very low37.7Very low78 Ų7872.9 Ų72.965%0.64539%0.39SS*.Hα-helixtrans-61.1-20.6174.800000114
1663K35.5Very low36.7Very low158 Ų15877.2 Ų77.269%0.68741%0.41SS*.Hα-helixtrans-95-19.6-173.9-162.1168.8-172.4164.90114.4L1660 I1661L1660-K1663 PolarHBondContact O-N 2.79Å; I1661-K1663 PolarHBondContact O-N 3.42Å; I1661-K1663 VanDerWaalsContact O-N 3.16Å
1664H35.7Very low35.2Very low88 Ų8885.8 Ų85.841%0.40744%0.44SS..Hα-helixtrans-136.6-5-167.5-67.7-61.4000116.1I1661I1661-H1664 PolarHBondContact O-N 2.94Å
1665C35.6Very low34Very low41 Ų4192.7 Ų92.728%0.27748%0.476SS..  trans-124.919.4-170.4-63.50000115.6I1661I1661-C1665 HydrophobicContact CG2-CB 3.93Å; I1661-C1665 WeakPolarHBondContact O-CB 3.43Å; I1661-C1665 PolarHBondContact O-N 3.43Å
1666V33Very low32.9Very low90 Ų9094.9 Ų94.955%0.54549%0.487SS..  trans-103.7107.6170.1-174.10000109.1K1668V1666-K1668 PolarHBondContact O-N 3.39Å
1667P31.6Very low32Very low22 Ų22102.1 Ų102.114%0.14351%0.511CS..  trans-67.5133178.9-18.331.7000110.9A1450 E1669 F1670A1450-P1667 WeakPolarHBondContact O-CA 3.28Å; A1450-P1667 WeakPolarHBondContact O-CB 3.36Å; P1667-E1669 PolarHBondContact O-N 2.79Å; P1667-F1670 HydrophobicContact CB-CD2 3.73Å; P1667-F1670 HydrophobicContact CB-CE2 4.09Å; P1667-F1670 HydrophobicContact CG-CD2 3.71Å; P1667-F1670 HydrophobicContact CG-CE2 3.84Å; P1667-F1670 PolarHBondContact O-N 3.32Å
1668K31Very low31.4Very low204 Ų204105.6 Ų105.689%0.88753%0.528SS*.THydrogen-bonded Turntrans-63.9-14.6-176.1-72.3-177.5176.2178.40114.1V1666V1666-K1668 PolarHBondContact O-N 3.39Å
1669E31.3Very low30.8Very low116 Ų116111.7 Ų111.754%0.54256%0.56SS.*THydrogen-bonded Turntrans-92.8-11-175.6-55.1-163.8151.700114.2P1667 G1671P1667-E1669 PolarHBondContact O-N 2.79Å; E1669-G1671 PolarHBondContact O-N 2.99Å
1670F29.9Very low30.1Very low135 Ų135111.1 Ų111.159%0.59257%0.566SS**THydrogen-bonded Turntrans-75.11.7173-77.9-76000114.1P1452 P1667 T1672P1452-F1670 HydrophobicContact CG-CE2 3.93Å; P1452-F1670 HydrophobicContact CG-CZ 4.36Å; P1667-F1670 HydrophobicContact CB-CD2 3.73Å; P1667-F1670 HydrophobicContact CB-CE2 4.09Å; P1667-F1670 HydrophobicContact CG-CD2 3.71Å; P1667-F1670 HydrophobicContact CG-CE2 3.84Å; P1667-F1670 PolarHBondContact O-N 3.32Å; F1670-T1672 PolarHBondContact O-N 3.07Å
1671G27.6Very low29.6Very low70 Ų70119.9 Ų119.972%0.72260%0.596SS**THydrogen-bonded Turntrans-730.4176.900000115.8E1669E1669-G1671 PolarHBondContact O-N 2.99Å
1672T25.5Very low28.9Very low106 Ų106123.5 Ų123.565%0.6562%0.622SS**  trans-139.377.1-177.950.90000113.9F1670 R1674F1670-T1672 PolarHBondContact O-N 3.07Å; T1672-R1674 PolarHBondContact O-N 2.91Å
1673I27.1Very low28.3Very low100 Ų100126.8 Ų126.851%0.51363%0.628SS.*  trans-67.397.8158.7-63.4-179.8000107.9L1675I1673-L1675 HydrophobicContact CG2-CG 4.43Å; I1673-L1675 PolarHBondContact O-N 3.22Å
1674R24.3Very low28Very low232 Ų232124.8 Ų124.888%0.87563%0.634SS**  trans-75.9104.7172.4-74.5-177.8175.91681.4109.8T1672T1672-R1674 PolarHBondContact O-N 2.91Å
1675L25.1Very low27.6Very low144 Ų144124.9 Ų124.975%0.75465%0.65SS**  trans-104.8154.7156.6-78.1170.8000110.3I1673 R1677I1673-L1675 HydrophobicContact CG2-CG 4.43Å; I1673-L1675 PolarHBondContact O-N 3.22Å; L1675-R1677 PolarHBondContact O-N 3.31Å
1676P24.2Very low27.1Very low63 Ų63128 Ų12841%0.40967%0.672SS.*  trans-85.6124.8-145.230.1-35.3000114.3I1641I1641-P1676 HydrophobicContact CB-CB 4.02Å; I1641-P1676 HydrophobicContact CB-CG 4.46Å; I1641-P1676 HydrophobicContact CD1-CB 3.72Å; I1641-P1676 HydrophobicContact CG1-CB 3.85Å
1677R25.5Very low26.9Very low229 Ų229130.9 Ų130.986%0.86469%0.685SS**  trans-58.3136.2147.5-79.4-178.4173.6169-1.5108.4L1675L1675-R1677 PolarHBondContact O-N 3.31Å
1678K26Very low26.9Very low166 Ų166136.4 Ų136.472%0.72271%0.713SS**  -174.9145.4109.4-107.1176.4176.1-179.30115.5
1679I25.8Very low26.5Very low147 Ų147134.1 Ų134.175%0.75471%0.71SS**  trans74.7129.7147.3-67.2163.3000115.8
1680S25.8Very low26.2Very low84 Ų84132.3 Ų132.359%0.58772%0.722SS**  cis-173.8154.2-1357.50000112.1
1681R23Very low25.9Very low231 Ų231134.3 Ų134.387%0.87274%0.736SS**  trans64.2139.2143-75168.9-176.2176.4-0.2117.3
1682C24.9Very low25.7Very low90 Ų90137 Ų13761%0.60874%0.738SS**  cis-150144.618-111.90000112.6
1683N25.5Very low25.6Very low147 Ų147136.2 Ų136.279%0.78674%0.742SS**  trans51.4132.2138.5-49.8-9.6000119.7
1684S29.2Very low25.6Very low115 Ų115137.7 Ų137.780%0.80475%0.751SS**  cis-158.6136.629.547.30000116.3
1685A26.8Very low25.6Very low90 Ų90131.1 Ų131.174%0.74474%0.736SS**  trans60.1102.1135.700000123.6
1686S25.3Very low25.7Very low106 Ų106130.9 Ų130.974%0.74173%0.734SS**  70.4110.3121.364.50000123.5
1687N30.6Very low25.8Very low152 Ų152134.2 Ų134.281%0.81375%0.749SS**  -156.3119.1106.6-107.3-20.9000114.3
1688N29.7Very low26Very low138 Ų138130.8 Ų130.874%0.73874%0.74SS**  trans38.390.7155.3-64.2-18.6000123.6
1689L23.4Very low26Very low156 Ų156127 Ų12782%0.81773%0.734SS**  38.5115.2111.1-78.7135.4000121.1M1691L1689-M1691 HydrophobicContact CD2-CG 4.42Å
1690G25.4Very low26Very low78 Ų78123.9 Ų123.980%0.80472%0.723SS**  trans-146.1101.7149.600000110.5
1691M23.2Very low26.1Very low177 Ų177127.2 Ų127.287%0.87272%0.724SS**  trans-83.9127.3-178.9-64.8-149.3-5700112.2L1689L1689-M1691 HydrophobicContact CD2-CG 4.42Å
1692T24.4Very low26.3Very low127 Ų127120.3 Ų120.378%0.77972%0.716SS**  trans-134.4138.1163.541.50000111.3
1693A23Very low26.6Very low88 Ų88117.5 Ų117.573%0.72769%0.694SS**  trans-73.2144.5-177.200000111.9
1694L25.6Very low26.7Very low132 Ų132114.1 Ų114.169%0.69169%0.694SS**  trans-86.8115.6175.2-73.9169.3000110.5K1698L1694-K1698 HydrophobicContact CD1-CD 4.17Å; L1694-K1698 HydrophobicContact CD2-CD 3.82Å; L1694-K1698 HydrophobicContact CD2-CG 4.43Å
1695T25.1Very low26.7Very low93 Ų93111 Ų11157%0.57167%0.668SS**  trans-72.6179.4172.940.80000112D1697T1695-D1697 VanDerWaalsContact CB-OD2 3.22Å; T1695-D1697 WeakPolarHBondContact CB-OD2 3.2Å; T1695-D1697 PolarHBondContact O-N 3.25Å; T1695-D1697 PolarHBondContact OG1-OD2 3.19Å
1696I26.4Very low26.8Very low139 Ų139110.7 Ų110.771%0.71366%0.661SS**G310 helixtrans-51.8-19.7-175.5-75168.8000114.2K1698 C1699I1696-K1698 PolarHBondContact O-N 2.85Å; I1696-C1699 PolarHBondContact O-N 2.8Å
1697D27.4Very low26.9Very low134 Ų134108.1 Ų108.172%0.71764%0.636SS**G310 helixtrans-67.48.8-173.6-40.1-74.1000115.3T1695T1695-D1697 VanDerWaalsContact CB-OD2 3.22Å; T1695-D1697 WeakPolarHBondContact CB-OD2 3.2Å; T1695-D1697 PolarHBondContact O-N 3.25Å; T1695-D1697 PolarHBondContact OG1-OD2 3.19Å
1698K29.1Very low26.8Very low156 Ų156103.3 Ų103.368%0.67861%0.611SS**G310 helixtrans-128.329.1177.3-63.1-153.9178.2-169.80115L1694 I1696L1694-K1698 HydrophobicContact CD1-CD 4.17Å; L1694-K1698 HydrophobicContact CD2-CD 3.82Å; L1694-K1698 HydrophobicContact CD2-CG 4.43Å; I1696-K1698 PolarHBondContact O-N 2.85Å
1699C27.3Very low26.5Very low88 Ų88100.8 Ų100.860%0.59560%0.596SS**  trans-111.5102.9172.8-159.80000111.4I1696 Y1701I1696-C1699 PolarHBondContact O-N 2.8Å; C1699-Y1701 VanDerWaalsContact C-N 3.33Å; C1699-Y1701 PolarHBondContact O-N 3.26Å; C1699-Y1701 VanDerWaalsContact O-N 3.09Å
1700P25.6Very low26.5Very low81 Ų8198.5 Ų98.553%0.52658%0.584SS.*THydrogen-bonded Turntrans-82.618.9-158.731.4-36.5000117.2L1345L1345-P1700 WeakPolarHBondContact CD1-O 3.35Å
1701Y27Very low26.5Very low154 Ų154103.3 Ų103.360%0.60458%0.583SS**THydrogen-bonded Turntrans-137.124.2-169.3-61.1-63.2000116.5F1407 C1699F1407-Y1701 HydrophobicContact CE1-CD1 4.41Å; C1699-Y1701 VanDerWaalsContact C-N 3.33Å; C1699-Y1701 PolarHBondContact O-N 3.26Å; C1699-Y1701 VanDerWaalsContact O-N 3.09Å
1702A27.6Very low26.5Very low85 Ų85102.2 Ų102.270%0.70258%0.58SS**  trans-90.7119.5179.500000113.1G1704A1702-G1704 PolarHBondContact O-N 3.04Å
1703I30.8Very low26.4Very low31 Ų31101.5 Ų101.516%0.15958%0.575CS.*  trans-89.588.9175-54.9176.2000109.1V1402 T1403 L1406 F1407 L1651 L1705V1402-I1703 HydrophobicContact CG1-CD1 4.09Å; T1403-I1703 HydrophobicContact CG2-CD1 4.46Å; L1406-I1703 HydrophobicContact CD1-CD1 4.49Å; F1407-I1703 HydrophobicContact CE2-CD1 4.26Å; L1651-I1703 CarbonylContact O-C 3.55Å; L1651-I1703 VanDerWaalsContact O-CA 3.32Å; L1651-I1703 WeakPolarHBondContact O-CA 3.17Å; L1651-I1703 WeakPolarHBondContact O-CB 3.39Å; L1651-I1703 PolarHBondContact O-N 3.11Å; L1651-I1703 VanDerWaalsContact O-O 3.11Å; I1703-L1705 HydrophobicContact CG2-CG 4.32Å; I1703-L1705 PolarHBondContact O-N 2.86Å; I1703-L1705 VanDerWaalsContact O-N 3.15Å
1704G27.9Very low26.3Very low76 Ų76104.8 Ų104.878%0.78458%0.575SS**  trans-74.596.6176.200000112.9A1702A1702-G1704 PolarHBondContact O-N 3.04Å
1705L28.5Very low26.3Very low49 Ų49102.4 Ų102.426%0.25757%0.568SS.*  trans-97.182166.4-71171.2000109.9L1399 N1658 I1703 F1707L1399-L1705 HydrophobicContact CD2-CD1 3.75Å; N1658-L1705 PolarHBondContact ND2-O 2.99Å; N1658-L1705 VanDerWaalsContact ND2-O 3.1Å; I1703-L1705 HydrophobicContact CG2-CG 4.32Å; I1703-L1705 PolarHBondContact O-N 2.86Å; I1703-L1705 VanDerWaalsContact O-N 3.15Å; L1705-F1707 HydrophobicContact CB-CE2 4.45Å
1706S29.7Very low26.2Very low84 Ų84106.5 Ų106.559%0.58758%0.575SS**  trans-80.2142.2167.854.20000110.9
1707F27.6Very low26Very low52 Ų52108.9 Ų108.923%0.22859%0.585CS.*  trans-134.1126.1167.7-58.2-78000104.1I1382 L1395 N1658 L1705I1382-F1707 HydrophobicContact CB-CE1 4.3Å; I1382-F1707 WeakPolarHBondContact O-CD1 3.46Å; L1395-F1707 HydrophobicContact CD1-CE2 4.37Å; L1395-F1707 HydrophobicContact CD1-CZ 4.17Å; N1658-F1707 PolarHBondContact N-O 3.15Å; N1658-F1707 PolarHBondContact ND2-N 3.33Å; N1658-F1707 VanDerWaalsContact ND2-N 3.16Å; L1705-F1707 HydrophobicContact CB-CE2 4.45Å
1708D28.5Very low25.8Very low52 Ų52107.6 Ų107.628%0.27858%0.582SS.*  trans-139.8136.1-178.8-144.528000109.1H1659H1659-D1708 IonicContact CE1-OD1 2.72Å; H1659-D1708 IonicContact CG-OD1 4Å; H1659-D1708 IonicContact ND1-OD1 3.84Å; H1659-D1708 PolarHBondContact ND1-OD1 2.7Å; H1659-D1708 IonicContact ND1-OD2 3.65Å
1709M23.5Very low25.5Very low85 Ų85105.7 Ų105.742%0.41959%0.588SS.*  trans-119.6121172.7-86.6-71.1-80.700108.8V1383V1383-M1709 HydrophobicContact CB-SD 4.25Å; V1383-M1709 HydrophobicContact CG1-CE 4Å; V1383-M1709 HydrophobicContact CG1-CG 4.02Å; V1383-M1709 HydrophobicContact CG1-SD 3.56Å; V1383-M1709 VanDerWaalsContact CG1-SD 3.56Å; V1383-M1709 HydrophobicContact CG2-CG 4.22Å; V1383-M1709 HydrophobicContact CG2-SD 3.61Å
1710D23.4Very low25.3Very low107 Ų107110 Ų11057%0.57260%0.597SS**SBendtrans73105.6176.7-77.6-56.9000120.5
1711K23.9Very low25.3Very low179 Ų179111.8 Ų111.878%0.77861%0.611SS**  trans74.773.1140.5-61.7175.7-174.6171.80118.1V1713K1711-V1713 PolarHBondContact O-N 3.3Å
1712L23.6Very low25Very low155 Ų155114 Ų11481%0.81262%0.623SS**  trans-67.980.7161.1-149.5-177.5000112.9
1713V21.9Very low24.9Very low112 Ų112116.8 Ų116.868%0.67963%0.627SS**  trans-151.195142.9-177.50000109.8K1711K1711-V1713 PolarHBondContact O-N 3.3Å
1714H22.3Very low24.5Very low157 Ų157121.3 Ų121.373%0.72766%0.656SS**  -176.4118.1102.1-140.951.1000112.1
1715C24.8Very low24.3Very low82 Ų82124.5 Ų124.555%0.55465%0.652SS**  trans72.6151.2140.5-72.60000121.7
1716Y23.9Very low24.1Very low179 Ų179129.6 Ų129.670%0.70267%0.674SS**  cis-147.7140.92.5-139.5-65.8000111.3T1718Y1716-T1718 VanDerWaalsContact C-N 3.31Å; Y1716-T1718 WeakPolarHBondContact CB-OG1 3.2Å; Y1716-T1718 HydrophobicContact CD1-CG2 3.62Å; Y1716-T1718 HydrophobicContact CE1-CG2 3.97Å; Y1716-T1718 HydrophobicContact CG-CG2 4.31Å; Y1716-T1718 PolarHBondContact O-N 3.2Å; Y1716-T1718 VanDerWaalsContact O-N 3.09Å
1717M20.9Very low23.8Very low188 Ų188131.5 Ų131.593%0.92668%0.682SS**  trans-74.778.2162-118.6-71-148.900109.5
1718T24.2Very low23.5Very low108 Ų108133.6 Ų133.666%0.66370%0.704SS**  trans-133.172.9176.231.10000113Y1716Y1716-T1718 VanDerWaalsContact C-N 3.31Å; Y1716-T1718 WeakPolarHBondContact CB-OG1 3.2Å; Y1716-T1718 HydrophobicContact CD1-CG2 3.62Å; Y1716-T1718 HydrophobicContact CE1-CG2 3.97Å; Y1716-T1718 HydrophobicContact CG-CG2 4.31Å; Y1716-T1718 PolarHBondContact O-N 3.2Å; Y1716-T1718 VanDerWaalsContact O-N 3.09Å
1719S23.6Very low23.2Very low115 Ų115141.4 Ų141.480%0.80473%0.73SS**  trans-15759.5148.1-165.10000114.1
1720F22.6Very low23.2Very low178 Ų178143.9 Ų143.978%0.78175%0.746SS**SBendtrans-138.3144.5140.4-135.6-96.3000109.5
1721C25.2Very low23.1Very low120 Ų120146 Ų14681%0.81176%0.756SS**  trans8566.3-166.8-59.40000116.5
1722K21.4Very low23Very low200 Ų200145.7 Ų145.787%0.8776%0.757SS**  trans-118.9126.8140.6-134.6-178-173-1790107.9
1723N23.9Very low23.1Very low144 Ų144144.7 Ų144.777%0.7775%0.753SS**  trans78.7142.9-162.6-52.6-29.3000113.8
1724T24Very low23.1Very low125 Ų125144.8 Ų144.877%0.76776%0.757SS**SBendcis-104.9116.16.240.90000112.4
1725M23.4Very low23.2Very low144 Ų144143.9 Ų143.971%0.70976%0.756SS**  96.9146.7102.3-79.8-172.6158.400112.1
1726Q23.8Very low23.4Very low155 Ų155148.2 Ų148.272%0.72477%0.772SS**  cis-147.3131.311.8-135.4150.3-8.200112.5
1727V23.2Very low23.6Very low125 Ų125147.2 Ų147.276%0.75877%0.771SS**  trans42.4114.3144.1-171.70000120
1728S21.7Very low23.9Very low96 Ų96144 Ų14467%0.67176%0.758SS**  trans72.6111.4154.559.30000122.2
1729Y22.7Very low24Very low215 Ų215144.8 Ų144.884%0.84377%0.765SS**  trans56.5124.3139-69.5-79.1000122.7
1730N23.3Very low23.9Very low138 Ų138148.8 Ų148.874%0.73877%0.768SS**  trans85110.6152.7-64.2-7.9000121.1
1731L20.9Very low24.1Very low152 Ų152150.7 Ų150.780%0.79677%0.77SS**  46.1105.2125.5-74.3148.7000120
1732H21.8Very low23.9Very low171 Ų171153.1 Ų153.179%0.79276%0.762SS**  -160.6132.6116.1-114.5-88.5000112
1733D25.9Very low24Very low135 Ų135149.2 Ų149.272%0.72275%0.749SS**  trans5682.9146-54.9-10000124
1734C22.6Very low24Very low114 Ų114150.7 Ų150.777%0.7776%0.756SS**  -16.5153.3123.3-82.90000122.1
1735I23.4Very low24Very low137 Ų137152.2 Ų152.270%0.70376%0.759SS**  trans82.9111.6149.2-61.3148.3000120.2F1737I1735-F1737 HydrophobicContact CG2-CD2 4.36Å
1736I29.4Very low24Very low173 Ų173148.9 Ų148.989%0.88776%0.762SS**  -139.6134125.5-62.8-170000108.2
1737F27.3Very low23.9Very low158 Ų158152.9 Ų152.969%0.69377%0.77SS**  trans-96.6154.1-168-113.2-100.8000115.1I1735 I1743I1735-F1737 HydrophobicContact CG2-CD2 4.36Å; F1737-I1743 HydrophobicContact CE1-CD1 4.45Å; F1737-I1743 HydrophobicContact CZ-CD1 4.36Å
1738N26.9Very low24Very low122 Ų122156 Ų15665%0.65278%0.777SS**  trans-120.9125.4178.4-175-14.8000110.1K1740N1738-K1740 PolarHBondContact O-N 3.01Å
1739P27.1Very low24.2Very low123 Ų123155.7 Ų155.780%0.79977%0.774SS**SBendtrans-94.876.3-159.236.9-37.3000115.1
1740K21.2Very low24.1Very low199 Ų199156.6 Ų156.687%0.86578%0.776SS**  trans-154.342.4166.7-117.1-176.5-171.7-175.60115N1738N1738-K1740 PolarHBondContact O-N 3.01Å
1741W26.1Very low24.2Very low219 Ų219155.6 Ų155.683%0.8378%0.775SS**  trans-135.2122.7-175.8-69.879.1000113.4
1742R21.3Very low24.3Very low171 Ų171153.9 Ų153.965%0.64577%0.771SS**  trans-82.2124.3160.3-91.4-172.6178157.19.5108.5
1743I24.9Very low24.4Very low117 Ų117153.9 Ų153.960%0.677%0.771SS**  trans-92.7118179-66.5173.4000109.7F1737 L1745F1737-I1743 HydrophobicContact CE1-CD1 4.45Å; F1737-I1743 HydrophobicContact CZ-CD1 4.36Å; I1743-L1745 HydrophobicContact CG2-CD1 4.12Å; I1743-L1745 HydrophobicContact CG2-CG 3.8Å
1744L23Very low24.3Very low176 Ų176153.5 Ų153.592%0.92177%0.774SS**  trans-95.5107.6166.5-95.4159.2000109.2
1745L23.6Very low24.4Very low157 Ų157154 Ų15482%0.82277%0.768SS**  trans-101.784.8171.6-81.2168.1000110.4I1743I1743-L1745 HydrophobicContact CG2-CD1 4.12Å; I1743-L1745 HydrophobicContact CG2-CG 3.8Å
1746G24.1Very low24.4Very low74 Ų74156.4 Ų156.476%0.76378%0.776SS**  trans-88.4123.5164.400000110.5
1747W22.4Very low24.2Very low239 Ų239154.8 Ų154.891%0.90577%0.769SS**  trans-121.299.1178.9-136.658.6000110
1748E23.8Very low24Very low191 Ų191152.4 Ų152.489%0.89376%0.763SS**  trans-103.493.6165.8-86.5-153.5147.800110.9R1750E1748-R1750 PolarHBondContact O-N 3.35Å
1749S25.8Very low23.9Very low89 Ų89156 Ų15662%0.62277%0.769SS**  trans-75.398.51651760000110.1T1751S1749-T1751 PolarHBondContact O-N 3.43Å
1750R22.6Very low23.8Very low234 Ų234156.4 Ų156.488%0.88377%0.769SS**  trans-61.8112.5161.4-74.3-177.7174.2-160.8-3.8110.5E1748E1748-R1750 PolarHBondContact O-N 3.35Å
1751T24.3Very low24Very low116 Ų116151.9 Ų151.971%0.71276%0.762SS**  trans-159.6115.8139.635.40000112.8S1749S1749-T1751 PolarHBondContact O-N 3.43Å
1752V23.2Very low24.1Very low116 Ų116146 Ų14670%0.70375%0.752SS**  66.9120.5128.2-177.60000119.7
1753E23.3Very low24.2Very low172 Ų172146.7 Ų146.780%0.80476%0.76SS**  trans43.4120.7144.4-60.9165.817600120.9
1754T25.2Very low24.2Very low126 Ų126151.9 Ų151.977%0.77377%0.772SS**  trans0126146.4510000118.2
1755L24Very low24.2Very low126 Ų126150.8 Ų150.866%0.6677%0.767SS**  trans-168.2107.4133.6-106.8158.8000111.8D1757 L1758L1755-D1757 WeakPolarHBondContact CD2-O 3.35Å; L1755-L1758 HydrophobicContact CD1-CD1 3.88Å; L1755-L1758 HydrophobicContact CD1-CG 4.35Å; L1755-L1758 HydrophobicContact CD2-CD1 4.47Å; L1755-L1758 HydrophobicContact CD2-CG 4.07Å
1756H23.4Very low24.4Very low187 Ų187148.6 Ų148.687%0.86676%0.762SS**  trans-117.490.4139.6-15969000106.7
1757D25.4Very low24.5Very low139 Ų139151.4 Ų151.474%0.74376%0.764SS**  trans-178.777.4148.8-94.6-7.8000107.6L1755L1755-D1757 WeakPolarHBondContact CD2-O 3.35Å
1758L23.1Very low24.7Very low108 Ų108144.9 Ų144.957%0.56575%0.751SS**  trans-134.4118.1168.2-98.8179.6000110.7L1755L1755-L1758 HydrophobicContact CD1-CD1 3.88Å; L1755-L1758 HydrophobicContact CD1-CG 4.35Å; L1755-L1758 HydrophobicContact CD2-CD1 4.47Å; L1755-L1758 HydrophobicContact CD2-CG 4.07Å
1759Y24.5Very low24.8Very low196 Ų196143.7 Ų143.777%0.76975%0.746SS**  trans80.598.3169.5-49.4-65000116
1760T24.8Very low24.7Very low132 Ų132150 Ų15081%0.8176%0.757SS**  -161.8152.769.939.10000108.6
1761C24.5Very low24.9Very low105 Ų105143.3 Ų143.371%0.70974%0.743SS**  cis175.9178.3-0.4-106.70000106.2
1762P29.4Very low25.2Very low96 Ų96148 Ų14862%0.62375%0.748SS**  cis-140.1170.2-26.936.8-18.7000116.2
1763F23.7Very low25.1Very low184 Ų184155.3 Ų155.381%0.80776%0.762SS**  trans79.2117150.4-72.2-55.1000123.7
1764R24.8Very low25.3Very low227 Ų227151.2 Ų151.286%0.85775%0.753SS**  trans89.4117.6134.8-74.4-179179.4-167.7-0.2121.1
1765N21.5Very low25.2Very low153 Ų153148.7 Ų148.782%0.81875%0.751SS**  trans-24.1157.7137.6-83.4-18.4000116.1
1766P29Very low25.3Very low111 Ų111151.2 Ų151.272%0.72177%0.765SS**  cis-139.8123.5-20.634-14.2000113.9
1767T26.6Very low25.4Very low132 Ų132145.4 Ų145.481%0.8176%0.755SS**  trans-139112.9167.110.40000113.2
1768T26.2Very low25.5Very low102 Ų102144.1 Ų144.163%0.62676%0.757SS**  trans41.1114.6135.453.90000119.7Y1770T1768-Y1770 PolarHBondContact O-N 3.04Å
1769Q24.6Very low25.8Very low166 Ų166143.7 Ų143.778%0.77676%0.763SS**  32.891.3107.4-57.4175.7-3.700116.7
1770Y25.3Very low26.1Very low222 Ų222141.3 Ų141.387%0.87176%0.759SS**  trans-128.967.3134.8-100.4-78000111.6T1768T1768-Y1770 PolarHBondContact O-N 3.04Å
1771T26.5Very low26.2Very low94 Ų94145 Ų14558%0.57776%0.759SS**  54.5123.1127.554.20000120.6R1773T1771-R1773 PolarHBondContact O-N 2.9Å
1772R30.6Very low26.6Very low215 Ų215144.6 Ų144.681%0.81176%0.756SS**  12.6104.8110.8-65.9-179.8-179.81631.4114.7S1774R1772-S1774 PolarHBondContact O-N 3.16Å
1773R21.6Very low26.4Very low268 Ų268144.9 Ų144.9100%1.01176%0.761SS**SBendtrans-70.168148.1-91.1-170174.2-177.30110.5T1771T1771-R1773 PolarHBondContact O-N 2.9Å
1774S25.7Very low26.5Very low87 Ų87141 Ų14161%0.60876%0.756SS**  trans-137.447.4156.273.40000108.6R1772 L1776R1772-S1774 PolarHBondContact O-N 3.16Å; S1774-L1776 PolarHBondContact O-N 3.36Å
1775G24.7Very low26.6Very low72 Ų72139 Ų13974%0.74276%0.757SS**  trans-64.6110.4155.400000108.1
1776L24.5Very low26.8Very low179 Ų179138 Ų13894%0.93776%0.76SS**  trans-60149.7142.9-82.8131.3000108.2S1774S1774-L1776 PolarHBondContact O-N 3.36Å
1777G26Very low26.6Very low65 Ų65136.1 Ų136.167%0.6776%0.761SS**  trans109.4112.1155.700000116.5
1778S28.1Very low26.5Very low112 Ų112137 Ų13778%0.78376%0.759SS**  trans63.3116.5134.955.40000121.7
1779S28.9Very low26.5Very low99 Ų99138.7 Ų138.769%0.69276%0.764SS**  86.3105.5121.464.80000122.3
1780Q30.2Very low26.7Very low146 Ų146136.1 Ų136.168%0.68276%0.76SS**  86.5122.6118.8-72.1-168.420.700121.9
1781R28.5Very low26.7Very low211 Ų211130.9 Ų130.980%0.79676%0.756SS**  trans67150.7136.5-64.3172171.5167.1-12116.6
1782S31.3Very low26.8Very low95 Ų95130.7 Ų130.766%0.66476%0.764SS**  cis-155.8137.30.711.40000106.9
1783S25.3Very low26.7Very low102 Ų102127.9 Ų127.971%0.71377%0.765SS**  39.8122.993.969.50000112.7
1784S25.8Very low26.9Very low102 Ų102119 Ų11971%0.71375%0.749SS**  146.3175.751.342.40000104.5
1785E28.1Very low27Very low186 Ų186120.5 Ų120.587%0.86976%0.755SS**  cis-153.4-178.431.1-69.5-177.2123.200112.6
1786C24.3Very low27.1Very low132 Ų132123.7 Ų123.789%0.89276%0.755SS**  trans-77.4168.9174.6-61.20000114.2
1787G25.8Very low27.2Very low71 Ų71121 Ų12173%0.73275%0.746SS**  trans173.163.2162.800000121.9
1788I25.5Very low27.2Very low151 Ų151125.5 Ų125.577%0.77475%0.751SS**  49125.5127.6-61.1171.9000121.8
1789N25.7Very low27.6Very low138 Ų138124.7 Ų124.774%0.73875%0.746SS**  trans101.1128142.3-84.4-4.7000126.3
1790T28.1Very low27.8Very low112 Ų112126.1 Ų126.169%0.68775%0.753SS**  trans62.599.5137.857.80000123.7
1791S25.6Very low27.6Very low111 Ų111124.4 Ų124.478%0.77675%0.752SS**  32.9120.1119.7620000121.4
1792A28.5Very low27.5Very low91 Ų91120.4 Ų120.475%0.75275%0.747SS**  161.4137.495.200000114.3
1793N28.3Very low27.2Very low156 Ų156122.4 Ų122.483%0.83475%0.75SS**  trans47.9110147.9-68.72.9000123.1
1794A26.3Very low27.2Very low82 Ų82122.5 Ų122.568%0.67875%0.75SS**  94.7125.8108.900000121.9
1795T28.4Very low27.1Very low117 Ų117122.1 Ų122.172%0.71875%0.752SS**  trans68.1116.7142.851.50000120.9
1796N25.9Very low27.1Very low140 Ų140118.1 Ų118.175%0.74975%0.745SS**  57.2135.4126-61.6-2.7000118.6
1797T26.8Very low27Very low121 Ų121118.5 Ų118.574%0.74274%0.738SS**  cis-164.5156.221.6-4.60000110.5
1798M25.5Very low26.9Very low160 Ų160123.6 Ų123.679%0.78874%0.741SS**  trans44.594.7151.9-57.8-166.777.400120.1
1799S36.1Very low26.9Very low95 Ų95120.5 Ų120.566%0.66473%0.732SS**  10131.9124.457.70000119.8
1800P33.8Very low27Very low130 Ų130121.4 Ų121.484%0.84474%0.737SS**  trans-111.3115.5132.232-25.8000110.9
1801T26.5Very low26.7Very low109 Ų109120.5 Ų120.567%0.66974%0.735SS**  trans-64.7167.6159.346.80000111.6
1802N26.3Very low26.7Very low128 Ų128119.1 Ų119.168%0.68473%0.73SS**  trans74.5143.8156-66.8-1.5000116.3
1803N25Very low26.8Very low137 Ų137121.2 Ų121.273%0.73373%0.729SS**  cis-130.8144.99.7-93.3-40.6000109.2
1804C24.2Very low26.9Very low104 Ų104120.5 Ų120.570%0.70373%0.725SS**  63.9112.656-54.50000113.4
1805A24.5Very low27.1Very low93 Ų93123.7 Ų123.777%0.76973%0.729SS**  trans-156.9143.8145.500000110.6
1806S28.7Very low26.9Very low103 Ų103124.1 Ų124.172%0.7273%0.732SS**  trans56.2125.4158.855.60000119.5
1807D22.4Very low26.9Very low139 Ų139123.5 Ų123.574%0.74373%0.733SS**  cis78125.644.2-74.5-44.4000116.1
1808F23.5Very low27.4Very low179 Ų179122.4 Ų122.479%0.78573%0.728SS**  trans6197148.5-79.6-92.3000120.6
1809S24.3Very low27.4Very low85 Ų85125 Ų12559%0.59473%0.73SS**  54.8107.5117.1700000119.8
1810N27.5Very low27Very low157 Ų157126 Ų12684%0.8473%0.733SS**  170.4154.1121.9-89.5-34.2000107.8
1811S23.4Very low26.5Very low94 Ų94124.2 Ų124.266%0.65772%0.723SS**  cis-177.2153.2-19.951.30000106.1
1812A25.5Very low26.4Very low81 Ų81124.9 Ų124.967%0.66973%0.727SS**  trans56.5124.5157.800000118.4
1813N29.6Very low26.3Very low135 Ų135124.4 Ų124.472%0.72273%0.734SS**  cis-163.7151.417.4-91.9-30.5000111.2
1814N30.5Very low26.2Very low141 Ų141121.6 Ų121.675%0.75474%0.737SS**  trans67.1124.7147.1-68.3-11.5000119.8
1815I30.6Very low26.4Very low149 Ų149123.3 Ų123.376%0.76475%0.745SS**  cis-144.4124.30.4-57.8-169.4000112.2
1816T24.8Very low26.5Very low127 Ų127124.5 Ų124.578%0.77975%0.745SS**  trans-25.4162.1161.910.60000120.8
1817V26Very low26.3Very low127 Ų127127 Ų12777%0.7775%0.75SS**  cis-152.5152.88.4-1540000112.3
1818P36.6Very low26.7Very low98 Ų98125.4 Ų125.464%0.63675%0.748SS**  trans-136.4174.6164.840.8-25.9000116.3
1819Y25.9Very low26.8Very low214 Ų214124.1 Ų124.184%0.83975%0.754SS**  trans163.4176132.7-93.4-65000117.8
1820T26.6Very low26.8Very low116 Ų116124.8 Ų124.871%0.71276%0.759SS**  trans-104.3167.8-137.737.50000121.7
1821S24Very low26.6Very low93 Ų93122.1 Ų122.165%0.6575%0.753SS**  trans-29.4176.4155.3620000125.3
1822T24.3Very low26.6Very low122 Ų122122.7 Ų122.775%0.74876%0.757SS**  trans90.2117.6140.330.20000123.8
1823S23.6Very low26.6Very low118 Ų118128 Ų12883%0.82577%0.768SS**  trans13.5136.5140.358.50000123.8
1824G23.6Very low26.6Very low78 Ų78126.7 Ų126.780%0.80477%0.769SS**  trans158127.5149.600000117.2
1825T27.3Very low26.3Very low140 Ų140129.2 Ų129.286%0.85977%0.774SS**  trans-66.5162164.548.30000112.4
1826P27.7Very low26.2Very low119 Ų119126.7 Ų126.777%0.77377%0.765SS**  cis-142.9-169.926.141.5-20.2000117.4
1827N23.6Very low26.4Very low155 Ų155125.8 Ų125.883%0.82976%0.755SS**  trans-27.5167.8164.1-75.8-12.1000119.1
1828P31.8Very low26.6Very low106 Ų106125.2 Ų125.269%0.68875%0.752SS**  cis-133.4164.7-24.337.4-22.4000113.7
1829T26.2Very low26.3Very low151 Ų151125.1 Ų125.193%0.92674%0.743SS**  trans-172172.4149.410.50000113.5
1830S23Very low26.6Very low100 Ų100119.9 Ų119.970%0.69973%0.73SS**  trans-99.6169.3-164.555.10000116.6
1831S23.2Very low26.9Very low100 Ų100119.5 Ų119.570%0.69973%0.727SS**  trans82.9130.8137.851.20000123.3
1832S24.1Very low27.4Very low107 Ų107121.3 Ų121.375%0.74873%0.728SS**  trans70.6101.2140.857.80000121.8
1833E26.3Very low27.9Very low191 Ų191119.9 Ų119.989%0.89371%0.712SS**  177.7105.7105-92.4179.6179.500108.3
1834S28.6Very low28.7Very low108 Ų108119.3 Ų119.376%0.75570%0.699SS**  70.386.963.2177.80000113.8
1835F25Very low29.3Very low194 Ų194118.2 Ų118.285%0.85168%0.682SS**  75.6153.689-119.5-98.6000117.2
1836V27.3Very low30Very low96 Ų96114 Ų11458%0.58265%0.652SS**  trans83.5122.3-174.5-173.20000111.6
1837L29.8Very low30.7Very low108 Ų108112.1 Ų112.157%0.56563%0.633SS**SBendcis-146.248.247.8-142155.8000115.5Q1839 N1840L1837-Q1839 HydrophobicContact CD2-CB 4.32Å; L1837-Q1839 PolarHBondContact O-N 3.02Å; L1837-N1840 HydrophobicContact CD2-CB 4.38Å; L1837-N1840 VanDerWaalsContact CD2-CG 3.46Å; L1837-N1840 WeakPolarHBondContact CD2-ND2 3.27Å; L1837-N1840 WeakPolarHBondContact CD2-OD1 3.32Å
1838T31Very low31.4Very low116 Ų116108.4 Ų108.471%0.71261%0.613SS**THydrogen-bonded Turntrans-67.410.8160.4-19.10000112.9N1840T1838-N1840 VanDerWaalsContact C-N 3.32Å; T1838-N1840 PolarHBondContact O-N 3.34Å
1839Q29.2Very low31.7Very low95 Ų95105.3 Ų105.344%0.44460%0.596SS.*Hα-helixtrans-75.8-15.6-173.9-134.5-175.73800113.4L1837 K1843L1837-Q1839 HydrophobicContact CD2-CB 4.32Å; L1837-Q1839 PolarHBondContact O-N 3.02Å; Q1839-K1843 WeakPolarHBondContact O-CB 3.43Å; Q1839-K1843 WeakPolarHBondContact O-CD 3.35Å; Q1839-K1843 WeakPolarHBondContact O-CG 3.23Å; Q1839-K1843 PolarHBondContact O-N 2.95Å
1840N32.3Very low32.3Very low105 Ų10599.3 Ų99.356%0.56156%0.557SS**Hα-helixtrans-82.3-33.9-177.6-73.8-6.7000113.5L1837 T1838 L1844L1837-N1840 HydrophobicContact CD2-CB 4.38Å; L1837-N1840 VanDerWaalsContact CD2-CG 3.46Å; L1837-N1840 WeakPolarHBondContact CD2-ND2 3.27Å; L1837-N1840 WeakPolarHBondContact CD2-OD1 3.32Å; T1838-N1840 VanDerWaalsContact C-N 3.32Å; T1838-N1840 PolarHBondContact O-N 3.34Å; N1840-L1844 VanDerWaalsContact O-CB 3.25Å; N1840-L1844 WeakPolarHBondContact O-CB 3.48Å; N1840-L1844 PolarHBondContact O-N 2.81Å
1841V32.8Very low33.2Very low107 Ų10798.5 Ų98.565%0.64854%0.544SS*.Hα-helixtrans-74.6-43-178.3-177.10000111.1L1844 A1845V1841-L1844 PolarHBondContact O-N 3.25Å; V1841-A1845 WeakPolarHBondContact O-CB 3.49Å; V1841-A1845 PolarHBondContact O-N 3.3Å
1842L34.4Very low34Very low131 Ų13197.8 Ų97.869%0.68653%0.529SS*.Hα-helixtrans-72-32.9174.9-74.7166.5000112.8F1846L1842-F1846 VanDerWaalsContact O-CB 3.29Å; L1842-F1846 WeakPolarHBondContact O-CB 3.43Å; L1842-F1846 PolarHBondContact O-N 3.1Å
1843K35Very low34.6Very low92 Ų92100 Ų10040%0.452%0.521SS..Hα-helixtrans-64.9-39.1168.5-81.1175.2176.8168.30111.8Q1839 H1847Q1839-K1843 WeakPolarHBondContact O-CB 3.43Å; Q1839-K1843 WeakPolarHBondContact O-CD 3.35Å; Q1839-K1843 WeakPolarHBondContact O-CG 3.23Å; Q1839-K1843 PolarHBondContact O-N 2.95Å; K1843-H1847 VanDerWaalsContact O-CB 3.31Å; K1843-H1847 WeakPolarHBondContact O-CB 3.44Å; K1843-H1847 PolarHBondContact O-CD2 2.99Å; K1843-H1847 PolarHBondContact O-N 3.27Å
1844L40.1Very low35.1Very low107 Ų10796.2 Ų96.256%0.5651%0.507SS*.Hα-helixtrans-65.8-48.3176.3-177.965.1000111.4N1840 V1841 F1846 H1847 L1848N1840-L1844 VanDerWaalsContact O-CB 3.25Å; N1840-L1844 WeakPolarHBondContact O-CB 3.48Å; N1840-L1844 PolarHBondContact O-N 2.81Å; V1841-L1844 PolarHBondContact O-N 3.25Å; L1844-F1846 VanDerWaalsContact C-N 3.33Å; L1844-F1846 PolarHBondContact O-N 2.87Å; L1844-H1847 PolarHBondContact O-N 2.91Å; L1844-L1848 HydrophobicContact CD1-CD1 4.27Å; L1844-L1848 HydrophobicContact CD1-CG 4.46Å; L1844-L1848 HydrophobicContact CG-CD1 4.08Å; L1844-L1848 WeakPolarHBondContact O-CB 3.2Å; L1844-L1848 VanDerWaalsContact O-CG 3.32Å; L1844-L1848 WeakPolarHBondContact O-CG 3.48Å; L1844-L1848 PolarHBondContact O-N 3.27Å
1845A36.4Very low35.5Very low54 Ų5495.9 Ų95.945%0.44650%0.496SS..Hα-helixtrans-59.7-42.6176.100000112V1841 L1848 A1849V1841-A1845 WeakPolarHBondContact O-CB 3.49Å; V1841-A1845 PolarHBondContact O-N 3.3Å; A1845-L1848 PolarHBondContact O-N 3.47Å; A1845-A1849 WeakPolarHBondContact O-CB 3.48Å; A1845-A1849 PolarHBondContact O-N 3.04Å
1846F42.8Very low35.6Very low51 Ų5192.1 Ų92.122%0.22449%0.494CS..Hα-helixtrans-68.8-43176-172.3-90.2000112.6L1842 L1844 L1848 A1849 Q1850 L1889L1842-F1846 VanDerWaalsContact O-CB 3.29Å; L1842-F1846 WeakPolarHBondContact O-CB 3.43Å; L1842-F1846 PolarHBondContact O-N 3.1Å; L1844-F1846 VanDerWaalsContact C-N 3.33Å; L1844-F1846 PolarHBondContact O-N 2.87Å; F1846-L1848 VanDerWaalsContact C-N 3.31Å; F1846-L1848 PolarHBondContact O-N 3.37Å; F1846-A1849 PolarHBondContact O-N 3.09Å; F1846-Q1850 HydrophobicContact CD1-CB 4.49Å; F1846-Q1850 HydrophobicContact CE1-CB 4.16Å; F1846-Q1850 HydrophobicContact CE1-CG 4.39Å; F1846-Q1850 VanDerWaalsContact O-CB 3.26Å; F1846-Q1850 WeakPolarHBondContact O-CB 3.31Å; F1846-Q1850 PolarHBondContact O-N 2.77Å; F1846-L1889 HydrophobicContact CD1-CB 4.08Å; F1846-L1889 HydrophobicContact CD1-CD1 4.16Å; F1846-L1889 HydrophobicContact CD1-CD2 4.19Å; F1846-L1889 HydrophobicContact CD1-CG 4.38Å; F1846-L1889 HydrophobicContact CD2-CD1 3.85Å; F1846-L1889 HydrophobicContact CE1-CB 3.6Å; F1846-L1889 HydrophobicContact CE1-CD1 4.14Å; F1846-L1889 HydrophobicContact CE1-CG 4.3Å; F1846-L1889 HydrophobicContact CE2-CD1 3.82Å; F1846-L1889 HydrophobicContact CG-CD1 4.03Å; F1846-L1889 HydrophobicContact CG-CD2 4.48Å; F1846-L1889 HydrophobicContact CZ-CB 3.91Å; F1846-L1889 HydrophobicContact CZ-CD1 3.97Å
1847H41.1Very low35.6Very low81 Ų8195.3 Ų95.338%0.37550%0.496SS..Hα-helixtrans-61.8-38.9175-94.2-76.6000111.8K1843 L1844 Q1850 I1851K1843-H1847 VanDerWaalsContact O-CB 3.31Å; K1843-H1847 WeakPolarHBondContact O-CB 3.44Å; K1843-H1847 PolarHBondContact O-CD2 2.99Å; K1843-H1847 PolarHBondContact O-N 3.27Å; L1844-H1847 PolarHBondContact O-N 2.91Å; H1847-Q1850 PolarHBondContact O-N 2.77Å; H1847-I1851 WeakPolarHBondContact O-CB 3.44Å; H1847-I1851 WeakPolarHBondContact O-CD1 3.24Å; H1847-I1851 WeakPolarHBondContact O-CG1 3.1Å; H1847-I1851 PolarHBondContact O-N 3.04Å
1848L39.1Very low35.5Very low77 Ų7796.7 Ų96.740%0.40351%0.509SS..Hα-helixtrans-65.2-47.2174.1-73168.5000111.4L1844 A1845 F1846 Q1850 I1851 F1852L1844-L1848 HydrophobicContact CD1-CD1 4.27Å; L1844-L1848 HydrophobicContact CD1-CG 4.46Å; L1844-L1848 HydrophobicContact CG-CD1 4.08Å; L1844-L1848 WeakPolarHBondContact O-CB 3.2Å; L1844-L1848 VanDerWaalsContact O-CG 3.32Å; L1844-L1848 WeakPolarHBondContact O-CG 3.48Å; L1844-L1848 PolarHBondContact O-N 3.27Å; A1845-L1848 PolarHBondContact O-N 3.47Å; F1846-L1848 VanDerWaalsContact C-N 3.31Å; F1846-L1848 PolarHBondContact O-N 3.37Å; L1848-Q1850 PolarHBondContact O-N 3.2Å; L1848-I1851 PolarHBondContact O-N 3.21Å; L1848-I1851 VanDerWaalsContact O-N 3.15Å; L1848-F1852 HydrophobicContact CB-CE2 4.41Å; L1848-F1852 WeakPolarHBondContact O-CD2 3.3Å; L1848-F1852 PolarHBondContact O-N 2.66Å
1849A38.7Very low35.3Very low40 Ų4095 Ų9533%0.33150%0.501SS..Hα-helixtrans-58.9-36.9173.800000112.2A1845 F1846 W1853A1845-A1849 WeakPolarHBondContact O-CB 3.48Å; A1845-A1849 PolarHBondContact O-N 3.04Å; F1846-A1849 PolarHBondContact O-N 3.09Å; A1849-W1853 VanDerWaalsContact O-CB 3.28Å; A1849-W1853 WeakPolarHBondContact O-CB 3.45Å; A1849-W1853 PolarHBondContact O-N 2.85Å
1850Q38.3Very low35.2Very low25 Ų2597 Ų9712%0.11751%0.514CS..Hα-helixtrans-75.4-29.9177.1-161.8-177.20.100112.6F1846 H1847 L1848 N1854 T1891F1846-Q1850 HydrophobicContact CD1-CB 4.49Å; F1846-Q1850 HydrophobicContact CE1-CB 4.16Å; F1846-Q1850 HydrophobicContact CE1-CG 4.39Å; F1846-Q1850 VanDerWaalsContact O-CB 3.26Å; F1846-Q1850 WeakPolarHBondContact O-CB 3.31Å; F1846-Q1850 PolarHBondContact O-N 2.77Å; H1847-Q1850 PolarHBondContact O-N 2.77Å; L1848-Q1850 PolarHBondContact O-N 3.2Å; Q1850-N1854 WeakPolarHBondContact O-CB 3.49Å; Q1850-N1854 PolarHBondContact O-N 3.43Å; Q1850-N1854 PolarHBondContact O-ND2 3.16Å; Q1850-N1854 PolarHBondContact O-OD1 2.95Å; Q1850-T1891 PolarHBondContact NE2-OG1 3.16Å; Q1850-T1891 VanDerWaalsContact OE1-CG2 3.25Å
1851I41.8Very low34.8Very low84 Ų8499.6 Ų99.643%0.43153%0.527SS..Hα-helixtrans-66.9-46.1170-74161.8000109.7H1847 L1848 N1854 L1855H1847-I1851 WeakPolarHBondContact O-CB 3.44Å; H1847-I1851 WeakPolarHBondContact O-CD1 3.24Å; H1847-I1851 WeakPolarHBondContact O-CG1 3.1Å; H1847-I1851 PolarHBondContact O-N 3.04Å; L1848-I1851 PolarHBondContact O-N 3.21Å; L1848-I1851 VanDerWaalsContact O-N 3.15Å; I1851-N1854 PolarHBondContact O-N 3.29Å; I1851-L1855 HydrophobicContact CG2-CD1 3.83Å; I1851-L1855 WeakPolarHBondContact O-CB 3.45Å; I1851-L1855 VanDerWaalsContact O-CG 3.25Å; I1851-L1855 WeakPolarHBondContact O-CG 3.46Å; I1851-L1855 PolarHBondContact O-N 2.99Å
1852F39.3Very low34.5Very low84 Ų84102.4 Ų102.437%0.36854%0.538SS..Hα-helixtrans-63.3-43.1174.5-65.2-55000112L1848 N1854 L1855 S1856 W1857L1848-F1852 HydrophobicContact CB-CE2 4.41Å; L1848-F1852 WeakPolarHBondContact O-CD2 3.3Å; L1848-F1852 PolarHBondContact O-N 2.66Å; F1852-N1854 VanDerWaalsContact C-N 3.34Å; F1852-N1854 PolarHBondContact O-N 3.44Å; F1852-L1855 CarbonylContact O-C 3.4Å; F1852-L1855 PolarHBondContact O-N 3.17Å; F1852-L1855 VanDerWaalsContact O-N 3.14Å; F1852-S1856 PolarHBondContact O-N 2.9Å; F1852-W1857 CarbonylContact C-O 3.55Å; F1852-W1857 HydrophobicContact CB-CB 4.33Å; F1852-W1857 HydrophobicContact CD1-CD2 4.47Å; F1852-W1857 AromaticContact CD1-CE3 3.64Å; F1852-W1857 HydrophobicContact CD1-CE3 3.64Å; F1852-W1857 HydrophobicContact CD1-CZ3 4.14Å; F1852-W1857 AromaticContact CE1-CE3 3.99Å; F1852-W1857 HydrophobicContact CE1-CE3 3.99Å; F1852-W1857 HydrophobicContact CE1-CZ3 4.02Å; F1852-W1857 PolarHBondContact O-N 3.12Å
1853W37.6Very low34Very low153 Ų153102.4 Ų102.458%0.5854%0.544SS*.Hα-helixtrans-59-42.4174.2-169.6-80.2000112.5A1849 L1855 S1856A1849-W1853 VanDerWaalsContact O-CB 3.28Å; A1849-W1853 WeakPolarHBondContact O-CB 3.45Å; A1849-W1853 PolarHBondContact O-N 2.85Å; W1853-L1855 VanDerWaalsContact C-N 3.3Å; W1853-L1855 PolarHBondContact O-N 3.2Å; W1853-S1856 PolarHBondContact O-N 2.91Å
1854N35.7Very low33.7Very low112 Ų112107.3 Ų107.360%0.59957%0.565SS**Hα-helixtrans-78.4-11.5178.8-68.4-6.7000113.6Q1850 I1851 F1852 S1856Q1850-N1854 WeakPolarHBondContact O-CB 3.49Å; Q1850-N1854 PolarHBondContact O-N 3.43Å; Q1850-N1854 PolarHBondContact O-ND2 3.16Å; Q1850-N1854 PolarHBondContact O-OD1 2.95Å; I1851-N1854 PolarHBondContact O-N 3.29Å; F1852-N1854 VanDerWaalsContact C-N 3.34Å; F1852-N1854 PolarHBondContact O-N 3.44Å; N1854-S1856 VanDerWaalsContact C-N 3.34Å
1855L37.4Very low33.3Very low102 Ų102107.7 Ų107.753%0.53458%0.576SS.*THydrogen-bonded Turntrans-93.611.5169.8-70.8169.7000112.6I1851 F1852 W1853 W1857I1851-L1855 HydrophobicContact CG2-CD1 3.83Å; I1851-L1855 WeakPolarHBondContact O-CB 3.45Å; I1851-L1855 VanDerWaalsContact O-CG 3.25Å; I1851-L1855 WeakPolarHBondContact O-CG 3.46Å; I1851-L1855 PolarHBondContact O-N 2.99Å; F1852-L1855 CarbonylContact O-C 3.4Å; F1852-L1855 PolarHBondContact O-N 3.17Å; F1852-L1855 VanDerWaalsContact O-N 3.14Å; W1853-L1855 VanDerWaalsContact C-N 3.3Å; W1853-L1855 PolarHBondContact O-N 3.2Å; L1855-W1857 VanDerWaalsContact C-N 3.28Å; L1855-W1857 PolarHBondContact O-N 2.93Å
1856S26.9Very low32.8Very low115 Ų115112 Ų11280%0.80459%0.592SS**THydrogen-bonded Turntrans61.229.4-176.2-510000114.3F1852 W1853 N1854F1852-S1856 PolarHBondContact O-N 2.9Å; W1853-S1856 PolarHBondContact O-N 2.91Å; N1854-S1856 VanDerWaalsContact C-N 3.34Å
1857W27.4Very low32.1Very low163 Ų163113.5 Ų113.562%0.61761%0.609SS**  trans-102.9119.2176.1-66.711.2000110.1F1852 L1855F1852-W1857 CarbonylContact C-O 3.55Å; F1852-W1857 HydrophobicContact CB-CB 4.33Å; F1852-W1857 HydrophobicContact CD1-CD2 4.47Å; F1852-W1857 AromaticContact CD1-CE3 3.64Å; F1852-W1857 HydrophobicContact CD1-CE3 3.64Å; F1852-W1857 HydrophobicContact CD1-CZ3 4.14Å; F1852-W1857 AromaticContact CE1-CE3 3.99Å; F1852-W1857 HydrophobicContact CE1-CE3 3.99Å; F1852-W1857 HydrophobicContact CE1-CZ3 4.02Å; F1852-W1857 PolarHBondContact O-N 3.12Å; L1855-W1857 VanDerWaalsContact C-N 3.28Å; L1855-W1857 PolarHBondContact O-N 2.93Å
1858T27.6Very low31.5Very low137 Ų137116 Ų11684%0.8463%0.625SS**  trans-66.6138178.448.90000111.9
1859C27.6Very low31Very low81 Ų81119.2 Ų119.255%0.54764%0.642SS.*  trans-135.2118178.8-165.70000110.5
1860D26.6Very low30.6Very low136 Ų136123.2 Ų123.273%0.72766%0.662SS**  trans-90.6131.6179.9-72-50.1000111.7
1861L23.5Very low30.2Very low159 Ų159132.5 Ų132.583%0.83270%0.696SS**  trans-105.293.8177.1-166.284.9000110.1
1862L27Very low29.6Very low167 Ų167137.5 Ų137.587%0.87472%0.717SS**  trans-110.6105.4176.5-88.2165.8000111.7
1863T25Very low29Very low131 Ų131136.5 Ų136.580%0.80473%0.725SS**  trans-87.2115.9167.150.20000110
1864K27.2Very low28.5Very low194 Ų194136.5 Ų136.584%0.84373%0.731SS**  trans-142.3118.1159.9-146.8-177.9-178-164.70109.7
1865S31.9Very low28Very low115 Ų115138.8 Ų138.880%0.80474%0.743SS**  trans-100.9146.717947.90000110.8
1866D25.7Very low27.5Very low144 Ų144143.6 Ų143.677%0.7775%0.754SS**  trans-70164.6-177.7-63.1-62.2000115.3
1867S29.9Very low27.3Very low84 Ų84146.4 Ų146.459%0.58776%0.755SS**  trans79.1105148.168.70000120.3L1869S1867-L1869 PolarHBondContact O-N 3.41Å
1868D26.8Very low27.2Very low132 Ų132143.7 Ų143.771%0.70676%0.756SS**  43.17110.6-73.9-42.3000121.9
1869L29.3Very low26.9Very low146 Ų146143.8 Ų143.876%0.76475%0.747SS**SBendtrans-1027.1177-103.6160.8000114.1S1867S1867-L1869 PolarHBondContact O-N 3.41Å
1870V30.3Very low26.7Very low123 Ų123148.7 Ų148.775%0.74576%0.759SS**SBendtrans-108.7-14177.6-1790000112E1872 A1873V1870-E1872 PolarHBondContact O-N 2.91Å; V1870-A1873 PolarHBondContact O-N 3.42Å
1871R30.6Very low26.6Very low220 Ų220145.3 Ų145.383%0.8375%0.751SS**THydrogen-bonded Turntrans-84.310.8-178.5-141.6-178.972.4143.35.7114.8
1872E28.9Very low26.7Very low189 Ų189144.1 Ų144.188%0.88375%0.749SS**THydrogen-bonded Turntrans-119.711.3173.6-155.1172.7-14900111.7V1870V1870-E1872 PolarHBondContact O-N 2.91Å
1873A25.6Very low26.6Very low64 Ų64145.7 Ų145.753%0.52974%0.744SS.*SBendtrans-141.475.6-179.600000111.9V1870V1870-A1873 PolarHBondContact O-N 3.42Å
1874E27Very low26.6Very low153 Ų153144.6 Ų144.672%0.71574%0.737SS**  trans-17359.2144.1-105.6163.6-142.200111.2R1876E1874-R1876 VanDerWaalsContact C-N 3.33Å; E1874-R1876 PolarHBondContact O-N 3.04Å
1875D25.7Very low26.7Very low159 Ų159141 Ų14185%0.8573%0.725SS**SBendtrans-7695.6151.8-163.97.9000106.8
1876R26.8Very low26.3Very low203 Ų203142.6 Ų142.677%0.76672%0.724SS**SBendtrans94.2105-177.7-53.6176.3-173.2-143.3-3.4118.1E1874E1874-R1876 VanDerWaalsContact C-N 3.33Å; E1874-R1876 PolarHBondContact O-N 3.04Å
1877E23.1Very low26.8Very low175 Ų175140.3 Ų140.382%0.81872%0.715SS**  trans64.699.1136.8-58.8173-173.800119.4
1878V24.4Very low26.6Very low106 Ų106143.4 Ų143.464%0.64272%0.718SS**  174.3152.6113153.40000112.2W1912V1878-W1912 HydrophobicContact CG1-CH2 4.21Å; V1878-W1912 HydrophobicContact CG1-CZ3 4.49Å
1879E23.2Very low26.5Very low139 Ų139141.3 Ų141.365%0.6571%0.706SS**  trans-66.3160-169.8-57.5174.6122.900117.6W1912E1879-W1912 HydrophobicContact CB-CZ3 4.26Å
1880F23.4Very low26.4Very low183 Ų183139.6 Ų139.680%0.80371%0.707SS**  trans-69.4150.8-174.953.2-93.9000115.8
1881A23.7Very low26.1Very low66 Ų66136.2 Ų136.255%0.54569%0.686SS.*  trans-138.5126.3173.100000113.5W1912A1881-W1912 HydrophobicContact CB-CZ2 4.14Å
1882V24.6Very low25.9Very low133 Ų133130.7 Ų130.781%0.80668%0.681SS**  trans-92.3123.8174.3174.40000110.4V1884V1882-V1884 HydrophobicContact CG1-CG2 4.04Å
1883R26.6Very low25.7Very low200 Ų200126.2 Ų126.276%0.75568%0.677SS**  trans-113.786.2-179.3-165.2-175.8-162.2-178.97.6112.1I1885R1883-I1885 HydrophobicContact CG-CG1 4.4Å
1884V24.6Very low25.7Very low108 Ų108127.1 Ų127.166%0.65568%0.684SS**  trans-87.5111.9171.1178.30000110V1882 L1886V1882-V1884 HydrophobicContact CG1-CG2 4.04Å; V1884-L1886 HydrophobicContact CG1-CB 4.21Å; V1884-L1886 HydrophobicContact CG1-CD1 3.75Å; V1884-L1886 HydrophobicContact CG1-CG 3.78Å
1885I27.8Very low25.6Very low119 Ų119125.9 Ų125.961%0.6169%0.687SS**  trans-104.997.4166.1-58174.3000106.8R1883R1883-I1885 HydrophobicContact CG-CG1 4.4Å
1886L24Very low25.8Very low149 Ų149125.2 Ų125.278%0.7868%0.684SS**  trans-99.3158.8175.8-92.5170.1000113V1884V1884-L1886 HydrophobicContact CG1-CB 4.21Å; V1884-L1886 HydrophobicContact CG1-CD1 3.75Å; V1884-L1886 HydrophobicContact CG1-CG 3.78Å
1887V37.1Very low25.8Very low95 Ų95123.1 Ų123.158%0.57669%0.687SS**  trans-135.5146.9-144.6177.90000110.8L1889V1887-L1889 HydrophobicContact CG1-CD1 3.89Å
1888K25.1Very low26.1Very low149 Ų149119.7 Ų119.765%0.64868%0.68SS**  trans-154.6131.3144.9-137.6162.1-175.5168.40113
1889L25.3Very low26.3Very low89 Ų89123 Ų12347%0.46669%0.693SS.*  trans-91.9167.1166.9-65.575.3000110F1846 V1887F1846-L1889 HydrophobicContact CD1-CB 4.08Å; F1846-L1889 HydrophobicContact CD1-CD1 4.16Å; F1846-L1889 HydrophobicContact CD1-CD2 4.19Å; F1846-L1889 HydrophobicContact CD1-CG 4.38Å; F1846-L1889 HydrophobicContact CD2-CD1 3.85Å; F1846-L1889 HydrophobicContact CE1-CB 3.6Å; F1846-L1889 HydrophobicContact CE1-CD1 4.14Å; F1846-L1889 HydrophobicContact CE1-CG 4.3Å; F1846-L1889 HydrophobicContact CE2-CD1 3.82Å; F1846-L1889 HydrophobicContact CG-CD1 4.03Å; F1846-L1889 HydrophobicContact CG-CD2 4.48Å; F1846-L1889 HydrophobicContact CZ-CB 3.91Å; F1846-L1889 HydrophobicContact CZ-CD1 3.97Å; V1887-L1889 HydrophobicContact CG1-CD1 3.89Å
1890S26.6Very low26.5Very low110 Ų110119.6 Ų119.677%0.76970%0.695SS**  trans-119.6124.3160.8-171.50000111.2
1891T24.8Very low26.6Very low52 Ų52116.1 Ų116.132%0.31969%0.693SS.*  trans-30.7152.5141.130.40000113.8Q1850Q1850-T1891 PolarHBondContact NE2-OG1 3.16Å; Q1850-T1891 VanDerWaalsContact OE1-CG2 3.25Å
1892S25.7Very low26.7Very low103 Ų103121.5 Ų121.572%0.7270%0.704SS**  cis-165.6166.219.637.30000113.1
1893A25.6Very low26.8Very low96 Ų96123 Ų12379%0.79370%0.703SS**  trans86.6132.3152.100000121.1
1894A24.5Very low26.6Very low83 Ų83121.1 Ų121.169%0.68671%0.706SS**  trans66.9117.714600000122.4
1895T26.1Very low26.7Very low127 Ų127121.6 Ų121.678%0.77972%0.715SS**  trans57.3105.3136.457.70000121.5
1896N29.8Very low26.5Very low144 Ų144123.1 Ų123.177%0.7772%0.723SS**  trans50.188.5136.2-64.4-10.6000121.5
1897L26.2Very low26.6Very low160 Ų160121 Ų12184%0.83872%0.716SS**  trans66.9171.2134.6-64.6151.7000118
1898P28.9Very low26Very low102 Ų102120.5 Ų120.566%0.66271%0.714SS**  -134.6-177.9-53.839.1-24.2000114.8
1899L27.9Very low26Very low177 Ų177122.8 Ų122.893%0.92772%0.719SS**  trans71.5131.1161.7-80.7146.4000119.2
1900G28.1Very low25.9Very low67 Ų67125.9 Ų125.969%0.69173%0.731SS**  trans171.9-25164.500000124.3
1901S26.5Very low25.9Very low109 Ų109127.9 Ų127.976%0.76273%0.732SS**  trans64.3125172.581.80000120.4
1902K25.4Very low25.8Very low179 Ų179131.8 Ų131.878%0.77874%0.741SS**  155.3135.3108.7-94.5-175.3178.9-174.50116.8
1903H26.6Very low25.8Very low166 Ų166131.6 Ų131.677%0.76975%0.746SS**  trans82122.8158.1-66.3-60.6000122.7
1904L23Very low25.6Very low159 Ų159138.7 Ų138.783%0.83275%0.752SS**  trans-87.8165.6180-64.667.7000111.8
1905S26.1Very low25.6Very low119 Ų119141.7 Ų141.783%0.83275%0.751SS**  -147.6140.3121.549.80000111.7
1906L24.1Very low25.7Very low151 Ų151141.3 Ų141.379%0.79174%0.744SS**  trans-115.9128.3-179.4174.990.2000107.2
1907V25Very low25.5Very low103 Ų103137.2 Ų137.262%0.62473%0.731SS**  trans-135.7102.7170.2-172.80000110.8Y1909V1907-Y1909 HydrophobicContact CG1-CD2 4.03Å; V1907-Y1909 HydrophobicContact CG1-CE1 4.45Å; V1907-Y1909 HydrophobicContact CG1-CE2 3.49Å; V1907-Y1909 VanDerWaalsContact CG1-CE2 3.49Å
1908T24.8Very low25.4Very low86 Ų86135.9 Ų135.953%0.52873%0.73SS.*  trans-76.5137.8160.734.20000110.5
1909Y24.3Very low25.4Very low197 Ų197136.4 Ų136.477%0.77373%0.733SS**  trans-111.9119.7161.8-75.1-77.1000110.2V1907V1907-Y1909 HydrophobicContact CG1-CD2 4.03Å; V1907-Y1909 HydrophobicContact CG1-CE1 4.45Å; V1907-Y1909 HydrophobicContact CG1-CE2 3.49Å; V1907-Y1909 VanDerWaalsContact CG1-CE2 3.49Å
1910Q24.1Very low25.3Very low153 Ų153135.7 Ų135.772%0.71573%0.729SS**  trans-99.9133.3157.4-74.3171.9-65.100107
1911I25.6Very low25.3Very low153 Ų153138.5 Ų138.579%0.78574%0.738SS**  trans-135.2121.4167-59.7-177.9000107.4
1912W24.2Very low25.3Very low134 Ų134136.8 Ų136.851%0.50874%0.738SS.*  trans-109140.5176.3-68.133.6000108.2V1878 E1879 A1881V1878-W1912 HydrophobicContact CG1-CH2 4.21Å; V1878-W1912 HydrophobicContact CG1-CZ3 4.49Å; E1879-W1912 HydrophobicContact CB-CZ3 4.26Å; A1881-W1912 HydrophobicContact CB-CZ2 4.14Å
1913A24.6Very low25.3Very low99 Ų99136.7 Ų136.782%0.81874%0.74SS**  trans-169126.8159.800000113.4
1914R21.5Very low25.3Very low245 Ų245136.1 Ų136.193%0.92574%0.738SS**  -136.2117.6129.1-167.4176.7-173172.52.7108.2
1915H25.6Very low25.4Very low145 Ų145133.9 Ų133.967%0.67173%0.73SS**  trans-105.8138.3-176.4-161.8-92.6000111.2A1917H1915-A1917 WeakPolarHBondContact CE1-CB 3.38Å
1916N26.5Very low25.2Very low119 Ų119135.7 Ų135.764%0.63673%0.728SS**  trans159.7103.6136.5-77.9-17.8000107.4
1917A25.8Very low25Very low59 Ų59133.6 Ų133.649%0.48872%0.721SS.*  62.2120.15000000111.7H1915H1915-A1917 WeakPolarHBondContact CE1-CB 3.38Å
1918T25.1Very low24.9Very low132 Ų132136.9 Ų136.981%0.8173%0.727SS**  -176.4170.581.626.40000108.8
1919P28.4Very low24.7Very low112 Ų112140 Ų14073%0.72774%0.735SS**SBendcis-137.3134.524.737.7-17.4000117.9
1920L26.5Very low24.6Very low163 Ų163136.9 Ų136.985%0.85373%0.731SS**SBend-169.7129106.3-100.8156.7000111
1921S27.6Very low24.5Very low125 Ų125136.3 Ų136.387%0.87472%0.723SS**SBendtrans67.9125.7179.773.90000118.1
1922G25.8Very low24.4Very low74 Ų74135.6 Ų135.676%0.76371%0.71SS**  trans119.948.1148.600000122.2
1923Q25.7Very low24.5Very low177 Ų177132.5 Ų132.583%0.82771%0.709SS**  trans69.9113.9143.4-75-179.6-2300123.2
1924H26.5Very low24.7Very low153 Ų153131 Ų13171%0.70869%0.687SS**  trans89.392.1136.3-65.3-59.3000125.3
1925V24.8Very low24.9Very low112 Ų112123 Ų12368%0.67967%0.667SS**  71.8107.9113.6177.50000123.2
1926M22.6Very low25.1Very low158 Ų158120.9 Ų120.978%0.77866%0.661SS**  trans49.9119.8132.1-53.3-149.9-60.400127.4
1927V20.5Very low25.5Very low106 Ų106119.3 Ų119.364%0.64266%0.659SS**  trans-14134.3137.3-143.60000120.5
1928F21.8Very low25.8Very low173 Ų173120.4 Ų120.476%0.75966%0.659SS**  172132.3103.6-101.8-74.1000116.6
1929E21.4Very low26Very low151 Ų151119.1 Ų119.171%0.70665%0.647SS**  trans32.1136.2145.6-78.2-178.2158.900129.2
1930L22.6Very low26.4Very low131 Ų131119.4 Ų119.469%0.68664%0.642SS**  89127.5126.5-76.9166.9000125.3
1931R22Very low26.8Very low142 Ų142118.2 Ų118.254%0.53663%0.627SS.*  trans87110.7147.8-73.3174176.9174.9-5.6121.7N1283 D1284N1283-R1931 PolarHBondContact ND2-NH1 3.2Å; N1283-R1931 VanDerWaalsContact ND2-NH1 3.12Å; D1284-R1931 IonicContact OD1-CZ 3.86Å; D1284-R1931 IonicContact OD1-NH1 2.73Å; D1284-R1931 PolarHBondContact OD1-NH1 3.45Å; D1284-R1931 IonicContact OD1-NH2 3.22Å; D1284-R1931 PolarHBondContact OD1-NH2 3.13Å
1932R23.2Very low26.9Very low138 Ų138120.4 Ų120.452%0.52162%0.621SS.*  trans69.399.5132.2-69.7-167.9175.31546.4122.4D1281 N1283D1281-R1932 WeakPolarHBondContact OD1-CD 3.42Å; D1281-R1932 IonicContact OD1-CZ 3.64Å; D1281-R1932 IonicContact OD1-NE 2.79Å; D1281-R1932 IonicContact OD1-NH1 3.44Å; D1281-R1932 PolarHBondContact OD1-NH1 3.23Å; N1283-R1932 PolarHBondContact OD1-NH1 3.18Å
1933S25.8Very low27.2Very low69 Ų69126.8 Ų126.848%0.48362%0.624SS.*  49.7109.6125.358.10000122.2Q1280Q1280-S1933 PolarHBondContact NE2-O 3.29Å; Q1280-S1933 PolarHBondContact NE2-OG 3.35Å; Q1280-S1933 PolarHBondContact OE1-O 2.79Å; Q1280-S1933 PolarHBondContact OE1-OG 3.24Å
1934D28.7Very low27.4Very low68 Ų68122.5 Ų122.536%0.36461%0.613SS.*  trans-157.6124.5134.2-155.3-47.7000113.1K1279 D1936K1279-D1934 IonicContact NZ-OD1 2.72Å; K1279-D1934 PolarHBondContact NZ-OD1 3.37Å; K1279-D1934 IonicContact NZ-OD2 3.85Å; K1279-D1934 PolarHBondContact NZ-OD2 3.19Å; D1934-D1936 VanDerWaalsContact C-N 3.34Å; D1934-D1936 PolarHBondContact O-N 3.42Å; D1934-D1936 PolarHBondContact OD1-N 3.19Å
1935P26Very low27.6Very low75 Ų75124.3 Ų124.349%0.48761%0.614SS.*THydrogen-bonded Turntrans-67.2-21.2174.7-20.434.4000116S1937 V1938 L1939P1935-S1937 PolarHBondContact O-N 2.94Å; P1935-V1938 WeakPolarHBondContact O-CA 3.35Å; P1935-V1938 WeakPolarHBondContact O-CB 3.48Å; P1935-V1938 PolarHBondContact O-N 2.92Å; P1935-L1939 PolarHBondContact O-N 3.16Å; P1935-L1939 VanDerWaalsContact O-N 3.11Å
1936D30.4Very low27.7Very low102 Ų102128.2 Ų128.255%0.54562%0.622SS.*Hα-helixtrans-73.5-16.6-178.3-66.8-34.7000112.3D1934 N1940D1934-D1936 VanDerWaalsContact C-N 3.34Å; D1934-D1936 PolarHBondContact O-N 3.42Å; D1934-D1936 PolarHBondContact OD1-N 3.19Å; D1936-N1940 PolarHBondContact O-N 3.39Å; D1936-N1940 PolarHBondContact O-ND2 3.03Å; D1936-N1940 VanDerWaalsContact O-ND2 3.1Å
1937S34.3Very low28.1Very low86 Ų86126.4 Ų126.460%0.60162%0.622SS**Hα-helixtrans-76-23.8164.9-63.50000112.9P1935 Y1941P1935-S1937 PolarHBondContact O-N 2.94Å; S1937-Y1941 WeakPolarHBondContact O-CB 3.23Å; S1937-Y1941 PolarHBondContact O-N 2.71Å
1938V31.4Very low28.5Very low82 Ų82127.8 Ų127.850%0.49763%0.631SS.*Hα-helixtrans-82.3-34.6178.1-176.60000111.3P1935 Y1941 F1942P1935-V1938 WeakPolarHBondContact O-CA 3.35Å; P1935-V1938 WeakPolarHBondContact O-CB 3.48Å; P1935-V1938 PolarHBondContact O-N 2.92Å; V1938-Y1941 PolarHBondContact O-N 2.68Å; V1938-F1942 HydrophobicContact CG1-CD2 4.49Å; V1938-F1942 PolarHBondContact O-N 3.33Å
1939L30.5Very low28.8Very low104 Ų104127.2 Ų127.255%0.54564%0.636SS.*Hα-helixtrans-64.1-42.1170.6-95.6120.7000112.2P1935 Y1941 F1942 Y1943P1935-L1939 PolarHBondContact O-N 3.16Å; P1935-L1939 VanDerWaalsContact O-N 3.11Å; L1939-Y1941 VanDerWaalsContact C-N 3.33Å; L1939-Y1941 PolarHBondContact O-N 2.8Å; L1939-F1942 PolarHBondContact O-N 3.26Å; L1939-Y1943 PolarHBondContact O-N 3.14Å
1940N35.6Very low29.1Very low118 Ų118125.6 Ų125.663%0.63164%0.636SS**Hα-helixtrans-67-32.5174.4-81.1-60000112.9D1936 F1942 Y1943 S1944D1936-N1940 PolarHBondContact O-N 3.39Å; D1936-N1940 PolarHBondContact O-ND2 3.03Å; D1936-N1940 VanDerWaalsContact O-ND2 3.1Å; N1940-F1942 VanDerWaalsContact C-N 3.3Å; N1940-F1942 PolarHBondContact O-N 3.31Å; N1940-Y1943 PolarHBondContact O-N 3.15Å; N1940-S1944 WeakPolarHBondContact O-CB 3.29Å; N1940-S1944 PolarHBondContact O-N 3.27Å; N1940-S1944 PolarHBondContact O-OG 3.29Å
1941Y36.2Very low29.4Very low139 Ų139129.7 Ų129.755%0.54564%0.642SS.*Hα-helixtrans-63.9-32.3173.4-174.4-102.5000113.1S1937 V1938 L1939S1937-Y1941 WeakPolarHBondContact O-CB 3.23Å; S1937-Y1941 PolarHBondContact O-N 2.71Å; V1938-Y1941 PolarHBondContact O-N 2.68Å; L1939-Y1941 VanDerWaalsContact C-N 3.33Å; L1939-Y1941 PolarHBondContact O-N 2.8Å
1942F28.3Very low29.5Very low170 Ų170134.2 Ų134.275%0.74666%0.659SS**Hα-helixtrans-78.2-21.5176.8-98.8-79.9000114.6V1938 L1939 N1940V1938-F1942 HydrophobicContact CG1-CD2 4.49Å; V1938-F1942 PolarHBondContact O-N 3.33Å; L1939-F1942 PolarHBondContact O-N 3.26Å; N1940-F1942 VanDerWaalsContact C-N 3.3Å; N1940-F1942 PolarHBondContact O-N 3.31Å
1943Y31.9Very low29.7Very low209 Ų209133.1 Ų133.182%0.8267%0.67SS**Hα-helixtrans-94.7-5.2179.2-88.9-77.4000114.9L1939 N1940L1939-Y1943 PolarHBondContact O-N 3.14Å; N1940-Y1943 PolarHBondContact O-N 3.15Å
1944S31.8Very low29.6Very low86 Ų86134.7 Ų134.760%0.60168%0.681SS**SBendtrans-116.214.7-169.972.20000116N1940N1940-S1944 WeakPolarHBondContact O-CB 3.29Å; N1940-S1944 PolarHBondContact O-N 3.27Å; N1940-S1944 PolarHBondContact O-OG 3.29Å
1945R29.7Very low29.6Very low192 Ų192137.9 Ų137.973%0.72570%0.703SS**  trans-132.923.5-174.2-106-165.2179.8-168.12.5118.8
1946F28Very low29.6Very low194 Ų194141.2 Ų141.285%0.85172%0.717SS**SBendtrans-85.1123.2150.9-93-75000109.6T1948F1946-T1948 PolarHBondContact O-N 2.94Å; F1946-T1948 VanDerWaalsContact O-N 3.15Å
1947P30.7Very low29.6Very low120 Ų120141.3 Ų141.378%0.77972%0.723SS**  trans-8097.3-176.530.4-33.6000111.9N1949P1947-N1949 PolarHBondContact O-N 2.99Å
1948T28Very low29.3Very low135 Ų135144 Ų14483%0.82873%0.731SS**  trans-81.696.2177.344.50000112.4F1946 V1950F1946-T1948 PolarHBondContact O-N 2.94Å; F1946-T1948 VanDerWaalsContact O-N 3.15Å; T1948-V1950 PolarHBondContact O-N 2.92Å
1949N27.4Very low29Very low160 Ų160148.4 Ų148.486%0.85674%0.743SS**  trans-66.8109.9163.1-93.5-34000110.3P1947P1947-N1949 PolarHBondContact O-N 2.99Å
1950V29.4Very low28.7Very low117 Ų117147.9 Ų147.971%0.70975%0.748SS**  172.6108109.5160.60000111.6T1948T1948-V1950 PolarHBondContact O-N 2.92Å
1951R28Very low28.2Very low218 Ų218151.4 Ų151.482%0.82376%0.758SS**  trans61.9110.6145.6-64.7176.5-177178.7-0.1122.3
1952R23.8Very low27.6Very low236 Ų236150.7 Ų150.789%0.89176%0.763SS**  57156.4113-69.2-175-177.1-166.70.5120.9
1953P27.5Very low27.5Very low115 Ų115152 Ų15275%0.74777%0.765SS**  cis-133.3177.2-2437.2-19000114.5
1954S24.3Very low27.3Very low102 Ų102150 Ų15071%0.71377%0.766SS**  trans-61.5148.6167.850.70000115.1
1955V27.8Very low27.2Very low136 Ų136149.9 Ų149.982%0.82477%0.766SS**  174.4133.9112.7151.90000112.2
1956D25.9Very low27.1Very low145 Ų145144.9 Ų144.978%0.77576%0.76SS**  trans-39-170.5156.6-98.4-32.4000117.4
1957P32.1Very low27.1Very low104 Ų104144.7 Ų144.768%0.67576%0.759SS**  cis-136.1151-41.934.9-19.3000112.9
1958D26.3Very low27Very low143 Ų143145.1 Ų145.177%0.76576%0.755SS**  trans-170.9162132.9-125.2-33.7000115.4
1959K26.8Very low26.9Very low174 Ų174143 Ų14376%0.75775%0.745SS**  trans-56.5137-166.5-64.1149.8-177.8151.20120
1960S22.7Very low26.8Very low93 Ų93141.7 Ų141.765%0.6574%0.743SS**  62.3141.912772.30000123.1
1961F26.3Very low26.5Very low192 Ų192144.4 Ų144.484%0.84275%0.748SS**  trans133.9137148.7-83.2-78000109
1962L23.6Very low26.3Very low124 Ų124141.8 Ų141.865%0.64975%0.749SS**  cis-179.6159.3-21.6-146150000104.7
1963Y25Very low26.3Very low198 Ų198137.6 Ų137.678%0.77674%0.743SS**  trans74.2136.5-173.9-70.7-94.5000114.8
1964I28.5Very low26.1Very low165 Ų165140.5 Ų140.585%0.84675%0.746SS**SBendcis-112143.421.4-66171.2000113.3
1965S28.7Very low26Very low85 Ų85146.1 Ų146.159%0.59475%0.754SS**  trans-77.2163.6-178.252.10000115.6
1966S28.4Very low25.9Very low87 Ų87143.6 Ų143.661%0.60874%0.742SS**  cis173.5166.2-2562.20000110
1967K28.6Very low25.8Very low189 Ų189143.3 Ų143.382%0.82273%0.734SS**  trans75.8149.4161.3-61.8179.2-171.51800115.8
1968N27.6Very low25.4Very low130 Ų130145.7 Ų145.770%0.69574%0.741SS**  cis-154.5148.2-1.6-136.849.5000113.4
1969S26.6Very low25.4Very low89 Ų89147.8 Ų147.862%0.62274%0.744SS**  trans53.5135.5145.358.10000121.1
1970T25.4Very low25.3Very low134 Ų134148 Ų14882%0.82275%0.752SS**  cis-165.1167.649.40000111.9
1971E23.8Very low25.6Very low174 Ų174148.1 Ų148.181%0.81375%0.753SS**  trans-93169.8-169.2-51141.4124.600115.8
1972L23.5Very low25.5Very low162 Ų162148 Ų14885%0.84875%0.754SS**  177.9108.7122.9-96.5163.9000117.5
1973I23.5Very low25.8Very low149 Ų149146.9 Ų146.976%0.76476%0.755SS**  trans18.6130.3135.5-51177.4000123.7
1974H21.8Very low25.9Very low175 Ų175145 Ų14581%0.8176%0.758SS**  trans-2.2158.4148.2-98.5-92.1000125.1
1975Y24.1Very low25.9Very low221 Ų221142 Ų14287%0.86775%0.75SS**  trans-134.2152.4172.5-101.1-82.4000115.5
1976S25.4Very low25.8Very low83 Ų83145.1 Ų145.158%0.5876%0.755SS**  trans149142.3138.7-159.90000108.6
1977K23.2Very low25.5Very low139 Ų139148.9 Ų148.960%0.60476%0.76SS**  cis-160.8138.225.6-159.3177-161.2177.50108.3D1284D1284-K1977 IonicContact OD2-NZ 2.67Å; D1284-K1977 PolarHBondContact OD2-NZ 2.89Å
1978D24.2Very low25.3Very low153 Ų153146 Ų14682%0.81876%0.758SS**  trans178.4154.6150-103-16.8000114.9
1979F26.8Very low25.1Very low188 Ų188146.2 Ų146.283%0.82576%0.758SS**  trans66.6111.7171.8-85.5-84.1000121.8
1980L24.5Very low25Very low178 Ų178148.1 Ų148.193%0.93276%0.76SS**  trans-115.3114.4154.8-90.2169.6000109.8
1981S27.2Very low24.9Very low96 Ų96152.3 Ų152.367%0.67176%0.762SS**  trans-164.6107.4153.439.80000114.4
1982H24.4Very low24.9Very low188 Ų188149.2 Ų149.287%0.8776%0.758SS**  trans74.3160.1150.3-95.4-28.7000120.8
1983P30.2Very low25.2Very low101 Ų101146.4 Ų146.466%0.65675%0.75SS**  -139.3151.6-12142-23.1000118.4
1984N27.3Very low25.3Very low158 Ų158146.5 Ų146.585%0.84574%0.741SS**  trans62.6167.6153-104.4-13.4000117.8
1985P28.3Very low25.5Very low104 Ų104144.1 Ų144.168%0.67573%0.733SS**  cis-128-163.8-1030.9-8.3000113.7
1986E26.6Very low25.6Very low149 Ų149139.1 Ų139.170%0.69673%0.726SS**  trans85.796.9155.7-58-116.6108.700120.3
1987K23.4Very low25.8Very low167 Ų167143 Ų14373%0.72674%0.735SS**  51.487.1121.8-69.1174.7179.6156.80120.5
1988T23.9Very low26.2Very low128 Ų128138.6 Ų138.679%0.78572%0.722SS**  66.6-171.5128.662.50000117.2
1989I23.6Very low26.4Very low135 Ų135136.5 Ų136.569%0.69271%0.711SS**  cis-151.9145.95.7-143.2153.9000112.2
1990I23.9Very low26.5Very low128 Ų128132.3 Ų132.366%0.65670%0.696SS**  trans32.2127.6152.1-57.7164.2000121.6
1991Y23.2Very low26.5Very low223 Ų223130.4 Ų130.488%0.87568%0.676SS**  -141.1146.5126.2-91.7-81.6000107.5
1992C24.8Very low26.5Very low108 Ų108132.2 Ų132.273%0.7368%0.677SS**  cis-134.4165.229.3-72.60000112.5
1993P29.2Very low26.8Very low103 Ų103128.4 Ų128.467%0.66967%0.669SS**  -152.517696.640.9-24.6000115.4
1994R24.9Very low26.6Very low151 Ų151131 Ų13157%0.5768%0.677SS**  trans165.8164.1149.7-98.6174.8-168.786.98.7111.2R2020R1994-R2020 VanDerWaalsContact NE-NH1 3.19Å
1995L26.6Very low26.5Very low126 Ų126130.5 Ų130.566%0.6667%0.674SS**  cis-146.9173.2-3.5-111.2178.2000104.9
1996T26.5Very low26.4Very low116 Ų116131.2 Ų131.271%0.71268%0.677SS**  cis-115.2-166.74.152.50000110.4
1997E29.8Very low26.3Very low163 Ų163130.9 Ų130.976%0.76268%0.68SS**  cis-139.7166.9-1.7-105.9-153.8-136.900107.1
1998S29.9Very low26.3Very low48 Ų48128.7 Ų128.734%0.33668%0.68SS.*  cis-157.3-170.8-10.5540000109.7L2019S1998-L2019 WeakPolarHBondContact O-CD1 3.35Å
1999N28.9Very low26.3Very low109 Ų109132 Ų13258%0.58368%0.683SS**  trans23136.7151.5-62.2-9.8000122.1N2017 N2018N1999-N2017 CarbonylContact C-O 3.39Å; N1999-N2018 CarbonylContact C-O 3.37Å
2000I28.5Very low26.3Very low100 Ų100133 Ų13351%0.51369%0.686SS.*  cis-156.3146.3-18-141.1162.6000113.6N2017 N2018I2000-N2017 CarbonylContact C-O 3.59Å; I2000-N2017 VanDerWaalsContact C-O 3.3Å; I2000-N2017 PolarHBondContact N-O 3.03Å; I2000-N2018 VanDerWaalsContact C-C 3.48Å; I2000-N2018 CarbonylContact C-O 3.35Å; I2000-N2018 WeakPolarHBondContact CA-O 3.35Å; I2000-N2018 PolarHBondContact N-O 3.3Å
2001R26Very low26.4Very low138 Ų138134.5 Ų134.552%0.52169%0.693SS.*  trans9.4148.4148.2-61.7179-177-174-0.3120.6L2019 R2020 R2021R2001-L2019 VanDerWaalsContact CG-C 3.41Å; R2001-L2019 WeakPolarHBondContact CG-O 3.36Å; R2001-L2019 PolarHBondContact NE-O 2.95Å; R2001-L2019 VanDerWaalsContact NE-O 3.16Å; R2001-R2020 PolarHBondContact NE-O 3.47Å; R2001-R2020 PolarHBondContact NH2-O 2.9Å; R2001-R2021 PolarHBondContact NH2-O 3.12Å
2002I26.4Very low26.6Very low134 Ų134129.9 Ų129.969%0.68769%0.694SS**  cis-167.81563-100.2158.6000106.8
2003P31Very low26.6Very low108 Ų108128.4 Ų128.470%0.70169%0.689SS**  trans-105151.9171.438.1-30.9000114.5
2004D26.4Very low26.6Very low156 Ų156130.4 Ų130.483%0.83469%0.694SS**  trans-172.6153133.5-114.7-24.8000114.9
2005L24.6Very low26.8Very low147 Ų147130.9 Ų130.977%0.7771%0.706SS**  trans74.9138.6157.4-70.9164000124.2
2006T25.8Very low26.8Very low119 Ų119130.2 Ų130.273%0.7371%0.707SS**  trans71.5124.3154.446.40000122.8
2007D24.8Very low26.9Very low142 Ų142130.1 Ų130.176%0.75970%0.702SS**  trans71.3124.1145.1-71.3-30.2000124.2
2008T24Very low26.8Very low121 Ų121127 Ų12774%0.74269%0.691SS**  trans63.5116.3145.258.20000121
2009K23.7Very low26.7Very low196 Ų196126.8 Ų126.885%0.85269%0.686SS**  trans66.4113.4148.4-65.7-175.2173.5-174.90117.8I2011K2009-I2011 PolarHBondContact O-N 3.4Å
2010E24.5Very low26.7Very low158 Ų158125.9 Ų125.974%0.73867%0.674SS**  trans-37.3111.7171.9-61.9174.1113.600115.3N1228N1228-E2010 PolarHBondContact ND2-OE2 2.99Å
2011I25.1Very low26.7Very low159 Ų159129.8 Ų129.882%0.81568%0.683SS**  trans-132.8115143.6-62.9-177000107.6K2009K2009-I2011 PolarHBondContact O-N 3.4Å
2012S26.6Very low26.9Very low126 Ų126128.6 Ų128.688%0.88170%0.695SS**  trans-91105172.858.10000110.8
2013A25.9Very low27.1Very low77 Ų77126.7 Ų126.764%0.63669%0.694SS**  trans-138.6123166.900000111.9
2014N29.8Very low27Very low144 Ų144126.7 Ų126.777%0.7769%0.688SS**  trans65.495.3154.9-61.8-19.8000121.7
2015I28.1Very low27.2Very low162 Ų162129.2 Ų129.283%0.83169%0.686SS**  76.5127.7119.1-64.7158.5000120
2016V26.1Very low27.3Very low112 Ų112132 Ų13268%0.67969%0.687SS**  trans-82.8135.1-174.5169.50000113.7
2017N29.8Very low27.5Very low114 Ų114134 Ų13461%0.6169%0.686SS**  trans-16176.3140.4-115.3-9000117.2N1999 I2000N1999-N2017 CarbonylContact C-O 3.39Å; I2000-N2017 CarbonylContact C-O 3.59Å; I2000-N2017 VanDerWaalsContact C-O 3.3Å; I2000-N2017 PolarHBondContact N-O 3.03Å
2018N28.1Very low27.5Very low96 Ų96135.4 Ų135.451%0.51369%0.688SS.*  47.1126.6120.5-119.6-38.4000124.2N1999 I2000N1999-N2018 CarbonylContact C-O 3.37Å; I2000-N2018 VanDerWaalsContact C-C 3.48Å; I2000-N2018 CarbonylContact C-O 3.35Å; I2000-N2018 WeakPolarHBondContact CA-O 3.35Å; I2000-N2018 PolarHBondContact N-O 3.3Å
2019L27.9Very low27.8Very low45 Ų45138 Ų13824%0.23669%0.691CS.*  trans136.687.2132.5-69166.1000121.3S1998 R2001S1998-L2019 WeakPolarHBondContact O-CD1 3.35Å; R2001-L2019 VanDerWaalsContact CG-C 3.41Å; R2001-L2019 WeakPolarHBondContact CG-O 3.36Å; R2001-L2019 PolarHBondContact NE-O 2.95Å; R2001-L2019 VanDerWaalsContact NE-O 3.16Å
2020R27.9Very low28.2Very low89 Ų89134.1 Ų134.134%0.33669%0.689SS.*  62.6136.1118.8-73.5-176.3165.7-166.9-8.1125.7R1994 R2001R1994-R2020 VanDerWaalsContact NE-NH1 3.19Å; R2001-R2020 PolarHBondContact NE-O 3.47Å; R2001-R2020 PolarHBondContact NH2-O 2.9Å
2021R29.3Very low28.4Very low183 Ų183135.1 Ų135.169%0.69169%0.691SS**  61.5156.6125.9-60.5179-179.8-174.5-5.8120.2R2001R2001-R2021 PolarHBondContact NH2-O 3.12Å
2022S29.2Very low28.6Very low112 Ų112135.4 Ų135.478%0.78369%0.688SS**  cis-137.7-154.51350.60000109.9
2023S30.4Very low28.8Very low94 Ų94133.9 Ų133.966%0.65768%0.678SS**  cis-168.8172.515.299.60000109.3
2024N29.8Very low28.9Very low108 Ų108139.6 Ų139.658%0.57869%0.688SS**  cis-166.1140.9-3.8-114.9-39.6000110.2
2025R29.2Very low29Very low209 Ų209144.3 Ų144.379%0.78970%0.695SS**  trans57.7133.5139.9-59.6166.6-164.6-173.2-0.7122.7
2026Y27Very low29.2Very low206 Ų206146.9 Ų146.981%0.80872%0.718SS**  -123.8144.8114.1-124.3-99.7000112.7
2027K29.6Very low29.4Very low161 Ų161148.6 Ų148.670%0.772%0.72SS**  trans-14.3150.5-174.7-65.5174.6-175.9173.60124.8
2028Q26.1Very low29.3Very low171 Ų171150.4 Ų150.480%0.79973%0.726SS**  trans-68.5162.7162.9-54.6145-67.700112.6
2029H30.9Very low29.4Very low177 Ų177153.4 Ų153.482%0.81974%0.738SS**  -167.9161.4113.6-111.8-83.6000115.1
2030S31.2Very low29.5Very low113 Ų113159.8 Ų159.879%0.7977%0.768SS**  trans61.7118.7165.151.20000121.9
2031K27.6Very low29.6Very low180 Ų180164.3 Ų164.378%0.78380%0.795SS**  trans-79.2160.9159.1-55164.5176.5175.20111.1
2032H30.8Very low29.6Very low164 Ų164163 Ų16376%0.75980%0.801SS**  130.4121.6127.2-85-60000118.7
2033S29.6Very low29.6Very low95 Ų95166.6 Ų166.666%0.66480%0.803SS**  trans74111.1133.567.10000123
2034K28.3Very low29.6Very low197 Ų197172.2 Ų172.286%0.85781%0.814SS**  64.5135.5119-68.3-173.5171.7-174.40120.7
2035R32.8Very low29.6Very low243 Ų243177.6 Ų177.692%0.91783%0.834SS**  trans77.2125.3175.1-59.1175.1170.3169.8-5.1112.4
2036T31.6Very low29.6Very low215 Ų215174.7 Ų174.7100%1.31984%0.838SS**  cis-11503.235.70000112.1

Retrieved 2,036 of 2,036 residues in 688.6 ms (Link to these results)

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