A0A3Q0KNZ6_SCHMA Loading...

Putative tuberin

AlphaFold DB (A0A5K4EQH7), UniProt , Accession A0A3Q0KNZ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,396 aa.

>A0A3Q0KNZ6_SCHMA|A0A3Q0KNZ6
MFRRHRPSDTSAVKSRKKFLSEKESTHKIKHLKILIDSLSDDELQPFFVENSSLIFQVFSDCFFSFEWDVKLKGSSNCIKELEVVLTVFEKVLLLLPEHIHQRWQHNCIIEVIEDLLYEKNALTIRKRGIRLFLIWYQILGLNATSVCHRIFYNLVPEFGPLIAEYQKRENDQRKRSHPHARNLSTDTRGQMMQESKSSNVVAPRERVALLTATALGEDESFDDKSLVLLQSLLHFLVSESFKIEWSQLRYEQHLMQLWFLFEKLKHSYLPVIFPCLSPLYSIYSPSTSSQVNNTVPLTSNILQDYPIHPSRLSYYQLEFACWLATFVYTGPRESSHAISSDGGFDSNFTIHGSVVGTTGPSFNLAGSFPWDTHGDPNDFLLSRHFRSFIGCPGHGEFESGSYSKANSYAKLSSSPPVQVPIYLRNGDENFVQEPTNLAASNLSPKLNSYSVKDTAVIPSTVQTSPLPQKFIFTEPFFNYDEKVVSMVHEVLYGCRQNINLVQDILHQALLLPLECHKALFFIVTVYGSWLENKHNRPIFMQASDSPVKSITPSAKSQVNASSIEHSQMLKMNGRMNDLKQIQQSQIEDFPIDETKSKDDVGINDPEELKGCLQNTIQIMLENMANIFYASSLNPNLSESQNTNRISTSGTDYTKYQIDLCRLVLQIFQFASNSNELTSETWSKLLSILMDIMRKTMVNTSPSNVQNYKWLSNNKLTQNLFQTLNGALLRASLFSTISSEPWDQCLNIYSQLSHWPSLIIEWKKVMRMLTCTMSKLVYGVDLSDLPQEKKGPRIKRLAGSTNPATRTRPKSLTEAALNYHNDNITTTASTTTTTYIGTDLANVLSSPPVPYPSALSVLSIHQNSLDDDNLASTTDSIELHLSSQENSQKRFAASNELKTLRNDNNTRQCIEKWTFDTISSKNYVLDNNNDNGNVVHSYIPPRVSSINGTHDESNLQMSSNDLTEVYGNHALHNSRSISHDLSNQNESKQFNVTVKSETSISESRRMSSVRRATSEITLEVVKFDLDSPQSPVRTYFDENIDVGTSNIPRLCDILSDEHSTLEPNSKDILTAAPSQEVSITNETSKLPSNTSNDQLNTADLPRCILAGGSALGWTHESIVICWRRFLGILGSLHKITNPTTMSDIFNYLNEMTSCLLKIRAYQSVPSVTETCVQPIPQFVPPVNFIAPILFNTMSLSEEFMEAKKIAIRTLCDIVVRSHDGCPDPELIAYFYYLIHQISVTKQENYVFEVIRSCNMRLFGSSLPSTHLLILDFLSDVNVVLSNPNSGTEIPRSEATSIILSLLCYPYHFNHLESIDPMSMKAKTILCIDLKSNLVHSLIQAVLSDPSGEVRCLAITGLSIYCVIELVNSFSRESKTGPSVNFKPMDDLFLESIIILLGMMRFKNRAISIVAVEMINTLAEYCHLLLYRDAKLPSLVLLSLAWTLYSTWDNMDLDSMSSTDKQFFHSLIQSIIEWSMRIPYDQLMKNFENKAELKLLPASNLLDIIIEVLCFIISNNTNSQTSVQNSNYPQSKILSSMNFTDPLREYINRCKQLIDINLFNAPKSDLDLSTMTAKSWIVTNAENTMIPYHYNDDMNRTMESVRLAAQMAMSHLLNHLDQFPMSKQCVQLNTSIQERHDQLAHSISSAQKQFTTNNHSNMDDLSELTAEIFEQNNLQIFVLDRSIILTFLSLPIVKLPVQLKNINDNVSPTTVSSDKDNTELQVVEFNNSTYSYLPLSYLNSKDVEVDSSKSSLITDKFYTRIITRDLSGKYSWDVSYLYASLVDMKEKQENQQLNEPTNTNLRLVDSDDSNSHLITRDPPPCPPPRVNPPPLITNSLAPNTIDQLDRLSGVLRDLAITSPECSINWCTSKLCEYENLKNISDKEKAACLNMEKMTCDQITAQYQIDENVTHRKLPDIDVLSLYNSHISQPKTGSRNSLKYTICSLINDRKISVQELESMKQNTLQFYNSRHLLNQLGYLSWKHRPTVELLQISPALIRELKHLDNLGSRETHKLAIFYVGAGQEDKQSILSNQTASLEFENFVAGLGWEVDLLKHKGFRGGLECSGRAGLSTPYYATSTLEVIFHVSTRMPSSTQEDLKYKHLGNDEIMIIWNENSRAFRRSILRTQFGDVLIIISPLLNGLFKVEVRREAQVGLFGPIVENAILTANVLPGLVRATAINASRAVQAIKPGYRHPYEDRASSLRQIISKYTLSTCFEEYAASILLPNSKSVHHNQSNLSLNRGVVSKSGGVKFSDVPPITQETYHSYSQNSTSDLAPNDVTNNNNNTLKHTDDVTQTPSVRQRQQTVSVSSHRATSAHSRTSSVTRAKSMFSRHHVDNLNTKPISVTSQPSLKTNSTTLHHHNETPDMYKANVFNSVPSPRLFRGLRSRQHSGSNKIN
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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
1M22Very low40.9Very low224 Ų224157.7 Ų157.7100%1.10373%0.734SS**  0147.80-64.8138.488.800107.2
2F25.7Very low43.6Very low187 Ų187145.4 Ų145.482%0.8268%0.68SS**  cis-119.6142.216-64.7-105.8000111.6R4F2-R4 PolarHBondContact O-N 2.85Å
3R27.2Very low46.1Very low246 Ų246141.2 Ų141.293%0.92867%0.67SS**  trans-78.584.6172.3-158.1-178.5-153.5172.76.6108.4H5R3-H5 PolarHBondContact O-N 2.78Å
4R34.3Very low48.6Very low237 Ų237141.2 Ų141.289%0.89467%0.666SS**PPolyproline II helixtrans-53.5124.9173.7-74.8-173.9178.2174.82107.9F2 R6F2-R4 PolarHBondContact O-N 2.85Å; R4-R6 PolarHBondContact O-N 3.41Å
5H33.4Very low51.1Low181 Ų181132.3 Ų132.384%0.83863%0.625SS**PPolyproline II helixtrans-57.6136.8179.6-79.5-96.5000109.6R3 P7R3-H5 PolarHBondContact O-N 2.78Å; H5-P7 WeakPolarHBondContact O-CD 3.45Å
6R35.3Very low53.3Low238 Ų238129.3 Ų129.390%0.89861%0.606SS**PPolyproline II helixtrans-51.2126.4161.8-86.3-174.9171.1173-4.6107.5R4 S8R4-R6 PolarHBondContact O-N 3.41Å; R6-S8 PolarHBondContact O-N 3.27Å; R6-S8 VanDerWaalsContact O-N 3.16Å
7P44.4Very low55.2Low68 Ų68131.2 Ų131.244%0.44261%0.611SS.*PPolyproline II helixtrans-58.2120.4167.2-18.331.3000107.5H5 D9 S11H5-P7 WeakPolarHBondContact O-CD 3.45Å; P7-D9 PolarHBondContact O-N 3.13Å; P7-S11 WeakPolarHBondContact CB-OG 3.22Å
8S47.2Very low56.9Low74 Ų74128.1 Ų128.152%0.51760%0.596SS.*PPolyproline II helixtrans-60.1136.417658.40000109.4R6 T10 S11R6-S8 PolarHBondContact O-N 3.27Å; R6-S8 VanDerWaalsContact O-N 3.16Å; S8-T10 PolarHBondContact O-N 2.94Å; S8-T10 PolarHBondContact O-OG1 2.61Å; S8-T10 PolarHBondContact OG-OG1 2.79Å; S8-T10 VanDerWaalsContact OG-OG1 3.13Å; S8-S11 PolarHBondContact O-N 3.3Å; S8-S11 PolarHBondContact O-OG 3.2Å
9D54.2Low58.6Low140 Ų140121.4 Ų121.475%0.74956%0.564SS**THydrogen-bonded Turntrans-46.1-29.3-170-34.1-42.9000114.6P7 S11 A12 V13P7-D9 PolarHBondContact O-N 3.13Å; D9-S11 PolarHBondContact O-N 3.17Å; D9-S11 VanDerWaalsContact O-N 3.11Å; D9-A12 PolarHBondContact O-N 3.25Å; D9-V13 PolarHBondContact O-N 3.49Å
10T60.6Low60Low107 Ų107119.9 Ų119.966%0.65656%0.56SS**Hα-helixtrans-49.4-30.7169.471.40000114.6S8 K14S8-T10 PolarHBondContact O-N 2.94Å; S8-T10 PolarHBondContact O-OG1 2.61Å; S8-T10 PolarHBondContact OG-OG1 2.79Å; S8-T10 VanDerWaalsContact OG-OG1 3.13Å; T10-K14 VanDerWaalsContact O-CB 3.29Å; T10-K14 WeakPolarHBondContact O-CB 3.44Å; T10-K14 PolarHBondContact O-N 2.96Å
11S66.1Low61.3Low33 Ų33116 Ų11623%0.23155%0.546CS..Hα-helixtrans-75.3-38.1176.758.30000112.6P7 S8 D9 K14 S15P7-S11 WeakPolarHBondContact CB-OG 3.22Å; S8-S11 PolarHBondContact O-N 3.3Å; S8-S11 PolarHBondContact O-OG 3.2Å; D9-S11 PolarHBondContact O-N 3.17Å; D9-S11 VanDerWaalsContact O-N 3.11Å; S11-K14 PolarHBondContact O-N 3.49Å; S11-S15 WeakPolarHBondContact O-CB 3.45Å; S11-S15 PolarHBondContact O-N 2.94Å; S11-S15 PolarHBondContact O-OG 2.66Å
12A73.5Confident63.9Low10 Ų10115 Ų1158%0.08354%0.539CS..Hα-helixtrans-62.9-49178.100000110.3D9 K14 S15 R16 L35 L39D9-A12 PolarHBondContact O-N 3.25Å; A12-K14 VanDerWaalsContact C-N 3.29Å; A12-K14 PolarHBondContact O-N 2.9Å; A12-S15 PolarHBondContact O-N 3.18Å; A12-S15 VanDerWaalsContact O-N 3.14Å; A12-R16 PolarHBondContact O-N 3.12Å; A12-L35 WeakPolarHBondContact O-CD2 3.48Å; A12-L39 HydrophobicContact CB-CD2 4Å
13V75.8Confident66.6Low91 Ų91110.7 Ų110.755%0.55252%0.52SS*.Hα-helixtrans-58.6-40.2175.3-178.50000111.8D9 R16 K17D9-V13 PolarHBondContact O-N 3.49Å; V13-R16 PolarHBondContact O-N 3.4Å; V13-K17 PolarHBondContact O-N 3.26Å
14K81.2Confident69.3Low141 Ų141106 Ų10661%0.61351%0.509SS*.Hα-helixtrans-70.9-33.2178.4-164.7170.7-170.2171.80112.5T10 S11 A12 K18T10-K14 VanDerWaalsContact O-CB 3.29Å; T10-K14 WeakPolarHBondContact O-CB 3.44Å; T10-K14 PolarHBondContact O-N 2.96Å; S11-K14 PolarHBondContact O-N 3.49Å; A12-K14 VanDerWaalsContact C-N 3.29Å; A12-K14 PolarHBondContact O-N 2.9Å; K14-K18 VanDerWaalsContact O-CG 3.31Å; K14-K18 WeakPolarHBondContact O-CG 3.21Å; K14-K18 PolarHBondContact O-N 2.94Å
15S85.9Confident71.8Confident7 Ų795.6 Ų95.65%0.04947%0.472CS..Hα-helixtrans-72.5-40.1172.9-68.80000111.9S11 A12 K17 K18 F19 I34S11-S15 WeakPolarHBondContact O-CB 3.45Å; S11-S15 PolarHBondContact O-N 2.94Å; S11-S15 PolarHBondContact O-OG 2.66Å; A12-S15 PolarHBondContact O-N 3.18Å; A12-S15 VanDerWaalsContact O-N 3.14Å; S15-K17 PolarHBondContact O-N 3.33Å; S15-K18 PolarHBondContact O-N 3.02Å; S15-F19 PolarHBondContact O-N 3.25Å; S15-I34 VanDerWaalsContact OG-CG2 3.3Å; S15-I34 WeakPolarHBondContact OG-CG2 3.5Å
16R86.1Confident74.1Confident84 Ų8490 Ų9032%0.31745%0.451SS..Hα-helixtrans-57.4-48.2175.7-162.4178.5-80.3-161.9-1.4110.6A12 V13 K18 F19 L20 L35 F47A12-R16 PolarHBondContact O-N 3.12Å; V13-R16 PolarHBondContact O-N 3.4Å; R16-K18 VanDerWaalsContact C-N 3.3Å; R16-K18 PolarHBondContact O-N 2.94Å; R16-F19 PolarHBondContact O-N 3.5Å; R16-L20 HydrophobicContact CG-CD1 4.43Å; R16-L20 WeakPolarHBondContact O-CG 3.22Å; R16-L20 PolarHBondContact O-N 3.29Å; R16-L35 HydrophobicContact CB-CD1 4.39Å; R16-L35 HydrophobicContact CB-CD2 3.95Å; R16-F47 HydrophobicContact CG-CD2 4.24Å; R16-F47 HydrophobicContact CG-CE2 3.65Å; R16-F47 HydrophobicContact CG-CZ 4.11Å
17K85.5Confident76.5Confident162 Ų16282 Ų8270%0.70442%0.423SS*.Hα-helixtrans-64.4-26.7174.5-70.5-171.3176.9-172.60114.6V13 S15V13-K17 PolarHBondContact O-N 3.26Å; S15-K17 PolarHBondContact O-N 3.33Å
18K86.2Confident78.8Confident76 Ų7680.1 Ų80.133%0.3341%0.408SS..Hα-helixtrans-81.4-36.2176.1-75.7176.3-175.7178.20112.9K14 S15 R16 L20 S21 H31K14-K18 VanDerWaalsContact O-CG 3.31Å; K14-K18 WeakPolarHBondContact O-CG 3.21Å; K14-K18 PolarHBondContact O-N 2.94Å; S15-K18 PolarHBondContact O-N 3.02Å; R16-K18 VanDerWaalsContact C-N 3.3Å; R16-K18 PolarHBondContact O-N 2.94Å; K18-L20 VanDerWaalsContact C-N 3.32Å; K18-S21 PolarHBondContact O-N 3.05Å; K18-S21 PolarHBondContact O-OG 2.96Å; K18-H31 HydrophobicContact CB-CB 4.25Å; K18-H31 VanDerWaalsContact CD-CE1 3.45Å; K18-H31 WeakPolarHBondContact CD-CE1 3.42Å
19F89.9Confident80.9Confident0 Ų076.8 Ų76.80%039%0.385CS..Hα-helixtrans-61-44.5174.2177.8-99.3000110.9S15 R16 S21 K28 L32 L35 F47 L54 I55 V58S15-F19 PolarHBondContact O-N 3.25Å; R16-F19 PolarHBondContact O-N 3.5Å; F19-S21 PolarHBondContact O-N 3.38Å; F19-K28 HydrophobicContact CD2-CB 3.91Å; F19-K28 HydrophobicContact CE2-CB 4.13Å; F19-K28 WeakPolarHBondContact O-CE 3.39Å; F19-L32 HydrophobicContact CD2-CB 3.79Å; F19-L32 HydrophobicContact CD2-CD1 4.31Å; F19-L32 HydrophobicContact CD2-CG 4.44Å; F19-L32 HydrophobicContact CE2-CB 3.95Å; F19-L32 HydrophobicContact CE2-CD1 4.21Å; F19-L32 HydrophobicContact CE2-CD2 3.89Å; F19-L32 HydrophobicContact CE2-CG 4.24Å; F19-L32 HydrophobicContact CZ-CD1 4.47Å; F19-L32 HydrophobicContact CZ-CD2 4.35Å; F19-L35 HydrophobicContact CB-CD1 4.31Å; F19-F47 AromaticContact CD1-CZ 3.83Å; F19-F47 HydrophobicContact CD1-CZ 3.83Å; F19-F47 HydrophobicContact CE1-CZ 4.26Å; F19-L54 HydrophobicContact CD1-CD2 4.49Å; F19-L54 HydrophobicContact CE1-CD2 3.81Å; F19-L54 HydrophobicContact CE1-CG 4Å; F19-L54 HydrophobicContact CZ-CD2 4.32Å; F19-L54 HydrophobicContact CZ-CG 4.03Å; F19-I55 HydrophobicContact CE1-CG1 3.81Å; F19-I55 HydrophobicContact CE2-CG1 4.46Å; F19-I55 HydrophobicContact CZ-CB 4.38Å; F19-I55 HydrophobicContact CZ-CG1 3.49Å; F19-I55 VanDerWaalsContact CZ-CG1 3.49Å; F19-V58 HydrophobicContact CE2-CB 4.35Å; F19-V58 HydrophobicContact CE2-CG1 4.18Å; F19-V58 HydrophobicContact CE2-CG2 4.18Å; F19-V58 HydrophobicContact CZ-CG2 4.41Å
20L86.7Confident82.4Confident91 Ų9174.7 Ų74.748%0.47637%0.369SS..THydrogen-bonded Turntrans-77.710.8178-57.6175.1000114.6R16 K18 N51 L54R16-L20 HydrophobicContact CG-CD1 4.43Å; R16-L20 WeakPolarHBondContact O-CG 3.22Å; R16-L20 PolarHBondContact O-N 3.29Å; K18-L20 VanDerWaalsContact C-N 3.32Å; L20-N51 VanDerWaalsContact CD2-OD1 3.27Å; L20-N51 WeakPolarHBondContact CD2-OD1 3.37Å; L20-L54 HydrophobicContact CD2-CD2 3.97Å
21S85.3Confident83.8Confident38 Ų3870.4 Ų70.427%0.26634%0.341SS..SBendtrans-95159.4176.471.10000111.7K18 F19 K23 K28K18-S21 PolarHBondContact O-N 3.05Å; K18-S21 PolarHBondContact O-OG 2.96Å; F19-S21 PolarHBondContact O-N 3.38Å; S21-K23 PolarHBondContact O-N 3.18Å; S21-K28 WeakPolarHBondContact O-CE 3.5Å; S21-K28 PolarHBondContact O-NZ 2.87Å
22E78.1Confident85Confident204 Ų20468.8 Ų68.895%0.95333%0.33SS*.SBendtrans-6922.8-175.7-60.2-176.7138.600115.4
23K82.2Confident85.8Confident96 Ų9670.1 Ų70.142%0.41733%0.334SS..  trans-75.4161.1-179.6-69.5-170.3173.2-145.10113.7S21 H27 K28S21-K23 PolarHBondContact O-N 3.18Å; K23-H27 HydrophobicContact CB-CB 4.39Å; K23-H27 HydrophobicContact CD-CB 4.41Å; K23-H27 WeakPolarHBondContact CD-CD2 3.35Å; K23-H27 PolarHBondContact NZ-NE2 3.17Å; K23-K28 WeakPolarHBondContact O-CD 3.32Å; K23-K28 WeakPolarHBondContact O-CE 3.46Å; K23-K28 PolarHBondContact O-NZ 3.45Å
24E83Confident86.4Confident149 Ų14969 Ų6970%0.69632%0.324SS*.  trans-51.4143.9167.3-64.9171.7-171.300112.6T26 H27 K28E24-T26 VanDerWaalsContact C-N 3.27Å; E24-T26 PolarHBondContact O-N 3.08Å; E24-H27 WeakPolarHBondContact O-CB 3.29Å; E24-H27 PolarHBondContact O-N 3.41Å; E24-K28 PolarHBondContact O-N 3.44Å
25S86.7Confident86.7Confident18 Ų1862.2 Ų62.213%0.12630%0.295CS..Hα-helixtrans-60.3-34.4-177.7-59.90000112.8H27 K28 I29 D61 C62S25-H27 PolarHBondContact O-N 3.16Å; S25-K28 PolarHBondContact O-N 3.33Å; S25-K28 VanDerWaalsContact O-N 3.13Å; S25-I29 WeakPolarHBondContact O-CB 3.37Å; S25-I29 PolarHBondContact O-N 3.12Å; S25-D61 WeakPolarHBondContact CB-OD2 3.3Å; S25-D61 PolarHBondContact OG-OD2 3.28Å; S25-C62 PolarHBondContact O-SG 3.29Å
26T82.7Confident86.9Confident63 Ų6363 Ų6339%0.38730%0.298SS..Hα-helixtrans-59.5-28.6173.159.40000113.6E24 K30 C62E24-T26 VanDerWaalsContact C-N 3.27Å; E24-T26 PolarHBondContact O-N 3.08Å; T26-K30 WeakPolarHBondContact O-CD 3.44Å; T26-C62 PolarHBondContact N-SG 2.99Å
27H86.2Confident86.9Confident70 Ų7063.5 Ų63.532%0.32431%0.307SS..Hα-helixtrans-88-38.6173.9-161.594.3000111.3K23 E24 S25 K30 H31K23-H27 HydrophobicContact CB-CB 4.39Å; K23-H27 HydrophobicContact CD-CB 4.41Å; K23-H27 WeakPolarHBondContact CD-CD2 3.35Å; K23-H27 PolarHBondContact NZ-NE2 3.17Å; E24-H27 WeakPolarHBondContact O-CB 3.29Å; E24-H27 PolarHBondContact O-N 3.41Å; S25-H27 PolarHBondContact O-N 3.16Å; H27-K30 PolarHBondContact O-N 3.35Å; H27-H31 AromaticContact CD2-CD2 3.5Å; H27-H31 PolarHBondContact CD2-CD2 3.12Å; H27-H31 VanDerWaalsContact CD2-CD2 3.5Å; H27-H31 AromaticContact CD2-NE2 3.18Å; H27-H31 PolarHBondContact CD2-NE2 3.5Å; H27-H31 AromaticContact CE1-NE2 3.86Å; H27-H31 AromaticContact NE2-CD2 3.81Å; H27-H31 AromaticContact NE2-NE2 3.01Å; H27-H31 PolarHBondContact NE2-NE2 2.99Å; H27-H31 PolarHBondContact O-CD2 2.94Å; H27-H31 PolarHBondContact O-N 3.46Å
28K91.4Very high86.8Confident28 Ų2857.6 Ų57.612%0.12229%0.286CS..Hα-helixtrans-60.1-49.1176.6-72.2175.2169.1145.70111.7F19 S21 K23 E24 S25 K30 H31 L32 V58F19-K28 HydrophobicContact CD2-CB 3.91Å; F19-K28 HydrophobicContact CE2-CB 4.13Å; F19-K28 WeakPolarHBondContact O-CE 3.39Å; S21-K28 WeakPolarHBondContact O-CE 3.5Å; S21-K28 PolarHBondContact O-NZ 2.87Å; K23-K28 WeakPolarHBondContact O-CD 3.32Å; K23-K28 WeakPolarHBondContact O-CE 3.46Å; K23-K28 PolarHBondContact O-NZ 3.45Å; E24-K28 PolarHBondContact O-N 3.44Å; S25-K28 PolarHBondContact O-N 3.33Å; S25-K28 VanDerWaalsContact O-N 3.13Å; K28-K30 PolarHBondContact O-N 3.01Å; K28-H31 PolarHBondContact O-N 3.08Å; K28-L32 PolarHBondContact O-N 3.48Å; K28-V58 HydrophobicContact CB-CG1 3.82Å; K28-V58 HydrophobicContact CB-CG2 4.05Å; K28-V58 HydrophobicContact CD-CG2 3.56Å; K28-V58 HydrophobicContact CG-CG2 4.47Å
29I90.9Very high86.7Confident5 Ų555.4 Ų55.43%0.02628%0.278CS..Hα-helixtrans-60.3-31.1-176.3-156.4169.5000112.5S25 L32 K33 V58 C62 V84 V85 V88S25-I29 WeakPolarHBondContact O-CB 3.37Å; S25-I29 PolarHBondContact O-N 3.12Å; I29-L32 PolarHBondContact O-N 3.31Å; I29-K33 PolarHBondContact O-N 2.78Å; I29-V58 HydrophobicContact CB-CG1 3.85Å; I29-V58 HydrophobicContact CG1-CG1 4.36Å; I29-C62 HydrophobicContact CD1-CB 3.79Å; I29-V84 HydrophobicContact CG1-CG1 4.47Å; I29-V85 HydrophobicContact CD1-CB 4.4Å; I29-V85 HydrophobicContact CD1-CG2 3.79Å; I29-V88 HydrophobicContact CD1-CB 4.46Å; I29-V88 HydrophobicContact CD1-CG2 4.34Å; I29-V88 HydrophobicContact CG1-CB 4.43Å; I29-V88 HydrophobicContact CG1-CG2 3.84Å
30K87.5Confident86.4Confident95 Ų9557.9 Ų57.941%0.41330%0.295SS..Hα-helixtrans-72-31.3175.8-68174.3-176.7172.30112.6T26 H27 K28 I34 E81T26-K30 WeakPolarHBondContact O-CD 3.44Å; H27-K30 PolarHBondContact O-N 3.35Å; K28-K30 PolarHBondContact O-N 3.01Å; K30-I34 WeakPolarHBondContact O-CD1 3.35Å; K30-I34 WeakPolarHBondContact O-CG1 3.49Å; K30-I34 PolarHBondContact O-N 2.88Å; K30-E81 VanDerWaalsContact CE-OE1 3.23Å; K30-E81 WeakPolarHBondContact CE-OE1 3.35Å; K30-E81 IonicContact NZ-OE1 3.98Å; K30-E81 PolarHBondContact NZ-OE1 3.36Å
31H90.1Very high85.9Confident17 Ų1756.3 Ų56.38%0.07929%0.287CS..Hα-helixtrans-78.9-30.5168.8-61.9-59.6000112.3K18 H27 K28 I34 L35K18-H31 HydrophobicContact CB-CB 4.25Å; K18-H31 VanDerWaalsContact CD-CE1 3.45Å; K18-H31 WeakPolarHBondContact CD-CE1 3.42Å; H27-H31 AromaticContact CD2-CD2 3.5Å; H27-H31 PolarHBondContact CD2-CD2 3.12Å; H27-H31 VanDerWaalsContact CD2-CD2 3.5Å; H27-H31 AromaticContact CD2-NE2 3.18Å; H27-H31 PolarHBondContact CD2-NE2 3.5Å; H27-H31 AromaticContact CE1-NE2 3.86Å; H27-H31 AromaticContact NE2-CD2 3.81Å; H27-H31 AromaticContact NE2-NE2 3.01Å; H27-H31 PolarHBondContact NE2-NE2 2.99Å; H27-H31 PolarHBondContact O-CD2 2.94Å; H27-H31 PolarHBondContact O-N 3.46Å; K28-H31 PolarHBondContact O-N 3.08Å; H31-I34 PolarHBondContact O-N 3.42Å; H31-L35 WeakPolarHBondContact O-CG 3.47Å; H31-L35 PolarHBondContact O-N 3.23Å
32L90.9Very high85.6Confident0 Ų060.9 Ų60.90%031%0.309CS..Hα-helixtrans-64.5-42.2173-17361.5000111.7F19 K28 I29 I34 L35 I36 F47 F48 I55 V88F19-L32 HydrophobicContact CD2-CB 3.79Å; F19-L32 HydrophobicContact CD2-CD1 4.31Å; F19-L32 HydrophobicContact CD2-CG 4.44Å; F19-L32 HydrophobicContact CE2-CB 3.95Å; F19-L32 HydrophobicContact CE2-CD1 4.21Å; F19-L32 HydrophobicContact CE2-CD2 3.89Å; F19-L32 HydrophobicContact CE2-CG 4.24Å; F19-L32 HydrophobicContact CZ-CD1 4.47Å; F19-L32 HydrophobicContact CZ-CD2 4.35Å; K28-L32 PolarHBondContact O-N 3.48Å; I29-L32 PolarHBondContact O-N 3.31Å; L32-I34 VanDerWaalsContact C-N 3.3Å; L32-I34 PolarHBondContact O-N 3.14Å; L32-L35 HydrophobicContact CD1-CD1 4.33Å; L32-L35 WeakPolarHBondContact O-CA 3.49Å; L32-L35 WeakPolarHBondContact O-CB 3.4Å; L32-L35 PolarHBondContact O-N 2.88Å; L32-I36 HydrophobicContact CG-CD1 4.35Å; L32-I36 WeakPolarHBondContact O-CG1 3.25Å; L32-I36 PolarHBondContact O-N 3.04Å; L32-F47 HydrophobicContact CD1-CE1 4Å; L32-F48 HydrophobicContact CD1-CE2 4.09Å; L32-F48 HydrophobicContact CD1-CZ 4.25Å; L32-I55 HydrophobicContact CD1-CD1 4.47Å; L32-I55 HydrophobicContact CD1-CG1 4.37Å; L32-I55 HydrophobicContact CD2-CG1 4.26Å; L32-I55 HydrophobicContact CD2-CG2 3.91Å; L32-V88 HydrophobicContact CD2-CB 4.49Å; L32-V88 HydrophobicContact CD2-CG1 3.6Å; L32-V88 HydrophobicContact CD2-CG2 4.03Å; L32-V88 HydrophobicContact CG-CG2 4.26Å
33K90.3Very high85.8Confident37 Ų3756 Ų5616%0.16129%0.286CS..Hα-helixtrans-59.5-40.2171.9-171.867.9171.875.30112.1I29 L35 I36 D37 V84 T87I29-K33 PolarHBondContact O-N 2.78Å; K33-L35 VanDerWaalsContact C-N 3.29Å; K33-L35 PolarHBondContact O-N 3.11Å; K33-I36 PolarHBondContact O-N 3.24Å; K33-D37 IonicContact NZ-OD1 3.78Å; K33-D37 PolarHBondContact NZ-OD1 3.37Å; K33-D37 IonicContact NZ-OD2 3.56Å; K33-D37 PolarHBondContact NZ-OD2 2.97Å; K33-D37 WeakPolarHBondContact O-CB 3.4Å; K33-D37 PolarHBondContact O-N 3.34Å; K33-V84 HydrophobicContact CB-CG1 3.96Å; K33-V84 HydrophobicContact CD-CG1 4.38Å; K33-V84 HydrophobicContact CD-CG2 4.4Å; K33-V84 HydrophobicContact CG-CG1 4.17Å; K33-V84 HydrophobicContact CG-CG2 4.13Å; K33-T87 HydrophobicContact CD-CG2 4Å
34I86.7Confident86Confident67 Ų6751.4 Ų51.434%0.34427%0.266SS..Hα-helixtrans-63.7-34.5174.4-65.8164.8000111.2S15 K30 H31 L32 D37 S38S15-I34 VanDerWaalsContact OG-CG2 3.3Å; S15-I34 WeakPolarHBondContact OG-CG2 3.5Å; K30-I34 WeakPolarHBondContact O-CD1 3.35Å; K30-I34 WeakPolarHBondContact O-CG1 3.49Å; K30-I34 PolarHBondContact O-N 2.88Å; H31-I34 PolarHBondContact O-N 3.42Å; L32-I34 VanDerWaalsContact C-N 3.3Å; L32-I34 PolarHBondContact O-N 3.14Å; I34-D37 PolarHBondContact O-N 2.95Å; I34-S38 WeakPolarHBondContact O-CB 3.23Å; I34-S38 PolarHBondContact O-N 2.81Å; I34-S38 PolarHBondContact O-OG 3.32Å
35L89Confident86.2Confident0 Ų046.3 Ų46.30%024%0.242CC..Hα-helixtrans-67.1-47.8174-68.2166.3000111.7A12 R16 F19 H31 L32 K33 D37 S38 L39 F47A12-L35 WeakPolarHBondContact O-CD2 3.48Å; R16-L35 HydrophobicContact CB-CD1 4.39Å; R16-L35 HydrophobicContact CB-CD2 3.95Å; F19-L35 HydrophobicContact CB-CD1 4.31Å; H31-L35 WeakPolarHBondContact O-CG 3.47Å; H31-L35 PolarHBondContact O-N 3.23Å; L32-L35 HydrophobicContact CD1-CD1 4.33Å; L32-L35 WeakPolarHBondContact O-CA 3.49Å; L32-L35 WeakPolarHBondContact O-CB 3.4Å; L32-L35 PolarHBondContact O-N 2.88Å; K33-L35 VanDerWaalsContact C-N 3.29Å; K33-L35 PolarHBondContact O-N 3.11Å; L35-D37 PolarHBondContact O-N 3.4Å; L35-S38 PolarHBondContact O-N 3.19Å; L35-S38 VanDerWaalsContact O-N 3.11Å; L35-L39 HydrophobicContact CB-CD1 4.31Å; L35-L39 HydrophobicContact CD2-CD1 4.02Å; L35-L39 HydrophobicContact CD2-CG 4.5Å; L35-L39 PolarHBondContact O-N 3.36Å; L35-F47 HydrophobicContact CD1-CE1 3.74Å; L35-F47 HydrophobicContact CD1-CZ 3.89Å
36I89Confident86.2Confident22 Ų2248.3 Ų48.311%0.11326%0.255CS..Hα-helixtrans-56.3-37.1174.1-63.7164.7000111.1L32 K33 L44 F48 T87 V88 K91L32-I36 HydrophobicContact CG-CD1 4.35Å; L32-I36 WeakPolarHBondContact O-CG1 3.25Å; L32-I36 PolarHBondContact O-N 3.04Å; K33-I36 PolarHBondContact O-N 3.24Å; I36-L44 HydrophobicContact CB-CD2 4.37Å; I36-L44 HydrophobicContact CG1-CD1 4.44Å; I36-L44 HydrophobicContact CG1-CD2 4.13Å; I36-L44 HydrophobicContact CG2-CD2 4.4Å; I36-F48 HydrophobicContact CD1-CZ 4.17Å; I36-F48 HydrophobicContact CG1-CE2 4.35Å; I36-F48 HydrophobicContact CG1-CZ 4.15Å; I36-T87 HydrophobicContact CG2-CG2 4.37Å; I36-V88 HydrophobicContact CD1-CB 4.39Å; I36-V88 HydrophobicContact CD1-CG2 3.71Å; I36-K91 HydrophobicContact CD1-CB 4.4Å; I36-K91 HydrophobicContact CG2-CG 4.08Å
37D85.8Confident86.6Confident96 Ų9645.5 Ų45.551%0.51324%0.237SC..THydrogen-bonded Turntrans-87.55.1-178.7-64-13.8000114.2K33 I34 L35K33-D37 IonicContact NZ-OD1 3.78Å; K33-D37 PolarHBondContact NZ-OD1 3.37Å; K33-D37 IonicContact NZ-OD2 3.56Å; K33-D37 PolarHBondContact NZ-OD2 2.97Å; K33-D37 WeakPolarHBondContact O-CB 3.4Å; K33-D37 PolarHBondContact O-N 3.34Å; I34-D37 PolarHBondContact O-N 2.95Å; L35-D37 PolarHBondContact O-N 3.4Å
38S84.1Confident86.9Confident38 Ų3842.1 Ų42.127%0.26622%0.222SC..THydrogen-bonded Turntrans-140-17.9-176.961.90000117.6I34 L35I34-S38 WeakPolarHBondContact O-CB 3.23Å; I34-S38 PolarHBondContact O-N 2.81Å; I34-S38 PolarHBondContact O-OG 3.32Å; L35-S38 PolarHBondContact O-N 3.19Å; L35-S38 VanDerWaalsContact O-N 3.11Å
39L84.6Confident86.7Confident29 Ų2943.8 Ų43.815%0.15223%0.234CC..SBendtrans-91.6157.7171.7-63.8175.9000110.5A12 L35 E43 L44A12-L39 HydrophobicContact CB-CD2 4Å; L35-L39 HydrophobicContact CB-CD1 4.31Å; L35-L39 HydrophobicContact CD2-CD1 4.02Å; L35-L39 HydrophobicContact CD2-CG 4.5Å; L35-L39 PolarHBondContact O-N 3.36Å; L39-E43 HydrophobicContact CB-CB 4.14Å; L39-E43 HydrophobicContact CD2-CB 4.41Å; L39-E43 WeakPolarHBondContact CD2-OE2 3.36Å; L39-L44 HydrophobicContact CB-CD1 4.3Å; L39-L44 HydrophobicContact CD1-CD1 3.97Å
40S82.3Confident86.6Confident52 Ų5250.8 Ų50.836%0.36427%0.266SS..  trans-75.516016376.20000110.2D42 E43 L44S40-D42 VanDerWaalsContact C-N 3.26Å; S40-D42 PolarHBondContact O-N 3.17Å; S40-D42 PolarHBondContact OG-OD2 3.15Å; S40-E43 PolarHBondContact N-OE2 2.74Å; S40-E43 WeakPolarHBondContact O-CB 3.35Å; S40-E43 PolarHBondContact O-N 2.89Å; S40-L44 WeakPolarHBondContact O-CB 3.17Å; S40-L44 PolarHBondContact O-N 2.66Å
41D77.9Confident86.8Confident59 Ų5947.6 Ų47.632%0.31625%0.254SS..Hα-helixtrans-64.9-31.6-179.4-81.7-44.2000112.5E43 L44 Q45 K91 E245D41-E43 PolarHBondContact O-N 3.19Å; D41-L44 PolarHBondContact O-N 2.98Å; D41-L44 WeakPolarHBondContact OD1-CD2 3.49Å; D41-Q45 PolarHBondContact O-N 3.41Å; D41-K91 WeakPolarHBondContact OD1-CE 3.37Å; D41-K91 IonicContact OD1-NZ 2.72Å; D41-K91 PolarHBondContact OD1-NZ 3.28Å; D41-K91 IonicContact OD2-NZ 3.22Å; D41-K91 PolarHBondContact OD2-NZ 3.01Å; D41-E245 WeakPolarHBondContact CB-OE2 3.11Å
42D77.9Confident86.9Confident134 Ų13447.4 Ų47.472%0.71725%0.254SS*.Hα-helixtrans-58.7-31.2169.4-38.2-82.7000113.6S40 P46S40-D42 VanDerWaalsContact C-N 3.26Å; S40-D42 PolarHBondContact O-N 3.17Å; S40-D42 PolarHBondContact OG-OD2 3.15Å; D42-P46 WeakPolarHBondContact O-CD 3.47Å; D42-P46 WeakPolarHBondContact O-CG 3.29Å
43E83.2Confident86.8Confident100 Ų10050.9 Ų50.947%0.46728%0.279SS..Hα-helixtrans-88.6-18.7175.8-64.9-177124.500112.7L39 S40 D41L39-E43 HydrophobicContact CB-CB 4.14Å; L39-E43 HydrophobicContact CD2-CB 4.41Å; L39-E43 WeakPolarHBondContact CD2-OE2 3.36Å; S40-E43 PolarHBondContact N-OE2 2.74Å; S40-E43 WeakPolarHBondContact O-CB 3.35Å; S40-E43 PolarHBondContact O-N 2.89Å; D41-E43 PolarHBondContact O-N 3.19Å
44L86.6Confident86.9Confident0 Ų052 Ų520%029%0.286CS..Hα-helixtrans-90.4-42.9-174.3-160.467.5000111.1I36 L39 S40 D41 F47 F48 K91 L95I36-L44 HydrophobicContact CB-CD2 4.37Å; I36-L44 HydrophobicContact CG1-CD1 4.44Å; I36-L44 HydrophobicContact CG1-CD2 4.13Å; I36-L44 HydrophobicContact CG2-CD2 4.4Å; L39-L44 HydrophobicContact CB-CD1 4.3Å; L39-L44 HydrophobicContact CD1-CD1 3.97Å; S40-L44 WeakPolarHBondContact O-CB 3.17Å; S40-L44 PolarHBondContact O-N 2.66Å; D41-L44 PolarHBondContact O-N 2.98Å; D41-L44 WeakPolarHBondContact OD1-CD2 3.49Å; L44-F47 PolarHBondContact O-N 2.92Å; L44-F48 HydrophobicContact CD1-CD2 4.13Å; L44-F48 HydrophobicContact CD1-CE2 3.77Å; L44-F48 HydrophobicContact CD2-CE2 4.33Å; L44-F48 HydrophobicContact CG-CD2 3.89Å; L44-F48 HydrophobicContact CG-CE2 3.77Å; L44-F48 WeakPolarHBondContact O-CB 3.09Å; L44-F48 WeakPolarHBondContact O-CD2 3.4Å; L44-F48 PolarHBondContact O-N 3.48Å; L44-K91 HydrophobicContact CD2-CD 4.31Å; L44-L95 HydrophobicContact CB-CD1 4.09Å; L44-L95 HydrophobicContact CD2-CD1 3.78Å; L44-L95 HydrophobicContact CG-CD1 3.72Å
45Q87.4Confident87.2Confident43 Ų4348.9 Ų48.920%0.20127%0.27CS..Hα-helixtrans-53.5-54.9176.7-166.4-159.947.500112.9D41 F47 F48 V49 L95 E245D41-Q45 PolarHBondContact O-N 3.41Å; Q45-F47 VanDerWaalsContact C-N 3.32Å; Q45-F47 PolarHBondContact O-N 2.97Å; Q45-F48 PolarHBondContact O-N 3.28Å; Q45-F48 VanDerWaalsContact O-N 3.15Å; Q45-V49 WeakPolarHBondContact O-CG2 3.48Å; Q45-V49 PolarHBondContact O-N 3.13Å; Q45-L95 HydrophobicContact CB-CD2 4.23Å; Q45-L95 HydrophobicContact CG-CB 4.46Å; Q45-L95 HydrophobicContact CG-CD2 4.47Å; Q45-E245 PolarHBondContact NE2-O 2.67Å
46P86.1Confident87.4Confident60 Ų6049.2 Ų49.239%0.3927%0.272SS..Hα-helixtrans-63.5-36.8178.324.6-34.6000112.5D42 F48 V49 E50D42-P46 WeakPolarHBondContact O-CD 3.47Å; D42-P46 WeakPolarHBondContact O-CG 3.29Å; P46-F48 VanDerWaalsContact C-N 3.33Å; P46-F48 PolarHBondContact O-N 3.32Å; P46-V49 PolarHBondContact O-N 3.21Å; P46-E50 WeakPolarHBondContact O-CB 3.47Å; P46-E50 WeakPolarHBondContact O-CG 3.18Å; P46-E50 PolarHBondContact O-N 2.81Å
47F90.7Very high87.5Confident3 Ų353.1 Ų53.11%0.01329%0.29CS..Hα-helixtrans-64.9-37.1175.4174.9-106.2000112.1R16 F19 L32 L35 L44 Q45 N51 I55R16-F47 HydrophobicContact CG-CD2 4.24Å; R16-F47 HydrophobicContact CG-CE2 3.65Å; R16-F47 HydrophobicContact CG-CZ 4.11Å; F19-F47 AromaticContact CD1-CZ 3.83Å; F19-F47 HydrophobicContact CD1-CZ 3.83Å; F19-F47 HydrophobicContact CE1-CZ 4.26Å; L32-F47 HydrophobicContact CD1-CE1 4Å; L35-F47 HydrophobicContact CD1-CE1 3.74Å; L35-F47 HydrophobicContact CD1-CZ 3.89Å; L44-F47 PolarHBondContact O-N 2.92Å; Q45-F47 VanDerWaalsContact C-N 3.32Å; Q45-F47 PolarHBondContact O-N 2.97Å; F47-N51 WeakPolarHBondContact CD2-ND2 3.32Å; F47-N51 WeakPolarHBondContact CE2-ND2 3.4Å; F47-N51 WeakPolarHBondContact O-CB 3.39Å; F47-N51 PolarHBondContact O-N 3.1Å; F47-N51 PolarHBondContact O-ND2 3.28Å; F47-I55 HydrophobicContact CE1-CD1 4.34Å
48F93.2Very high87.8Confident0 Ų048.6 Ų48.60%027%0.265CS..Hα-helixtrans-67.6-42.5173.4-92.7-119.6000111.6L32 I36 L44 Q45 P46 N51 S52 I55 K91 V92 L95 L96L32-F48 HydrophobicContact CD1-CE2 4.09Å; L32-F48 HydrophobicContact CD1-CZ 4.25Å; I36-F48 HydrophobicContact CD1-CZ 4.17Å; I36-F48 HydrophobicContact CG1-CE2 4.35Å; I36-F48 HydrophobicContact CG1-CZ 4.15Å; L44-F48 HydrophobicContact CD1-CD2 4.13Å; L44-F48 HydrophobicContact CD1-CE2 3.77Å; L44-F48 HydrophobicContact CD2-CE2 4.33Å; L44-F48 HydrophobicContact CG-CD2 3.89Å; L44-F48 HydrophobicContact CG-CE2 3.77Å; L44-F48 WeakPolarHBondContact O-CB 3.09Å; L44-F48 WeakPolarHBondContact O-CD2 3.4Å; L44-F48 PolarHBondContact O-N 3.48Å; Q45-F48 PolarHBondContact O-N 3.28Å; Q45-F48 VanDerWaalsContact O-N 3.15Å; P46-F48 VanDerWaalsContact C-N 3.33Å; P46-F48 PolarHBondContact O-N 3.32Å; F48-N51 CarbonylContact O-C 3.56Å; F48-N51 PolarHBondContact O-N 3.13Å; F48-S52 WeakPolarHBondContact O-CA 3.43Å; F48-S52 WeakPolarHBondContact O-CB 3.21Å; F48-S52 PolarHBondContact O-N 3.48Å; F48-I55 HydrophobicContact CB-CD1 4.34Å; F48-I55 HydrophobicContact CD1-CD1 4.14Å; F48-I55 HydrophobicContact CD1-CG2 4.26Å; F48-I55 HydrophobicContact CD2-CD1 3.93Å; F48-I55 HydrophobicContact CE1-CD1 4.43Å; F48-I55 HydrophobicContact CE1-CG2 3.93Å; F48-I55 HydrophobicContact CE2-CD1 4.24Å; F48-I55 HydrophobicContact CG-CD1 3.88Å; F48-I55 HydrophobicContact CZ-CD1 4.48Å; F48-I55 HydrophobicContact CZ-CG2 4.42Å; F48-K91 HydrophobicContact CE1-CB 4.02Å; F48-K91 HydrophobicContact CZ-CB 4.06Å; F48-V92 HydrophobicContact CD1-CG2 4.39Å; F48-V92 HydrophobicContact CE1-CG2 3.96Å; F48-L95 HydrophobicContact CB-CB 4.18Å; F48-L95 HydrophobicContact CB-CD1 4.25Å; F48-L95 HydrophobicContact CD1-CB 4.27Å; F48-L95 HydrophobicContact CD1-CD1 4.04Å; F48-L95 HydrophobicContact CD2-CD1 3.93Å; F48-L95 HydrophobicContact CE1-CD1 4.38Å; F48-L95 HydrophobicContact CE2-CD1 4.28Å; F48-L95 HydrophobicContact CG-CB 4.33Å; F48-L95 HydrophobicContact CG-CD1 3.81Å; F48-L95 HydrophobicContact CZ-CD1 4.49Å; F48-L96 HydrophobicContact CB-CD2 4.25Å; F48-L96 HydrophobicContact CB-CG 4.41Å
49V87.8Confident88.2Confident62 Ų6246.8 Ų46.838%0.37625%0.253SS..Hα-helixtrans-62.4-48.9177.3169.90000111.4Q45 P46 N51 S52 L96Q45-V49 WeakPolarHBondContact O-CG2 3.48Å; Q45-V49 PolarHBondContact O-N 3.13Å; P46-V49 PolarHBondContact O-N 3.21Å; V49-N51 VanDerWaalsContact C-N 3.27Å; V49-N51 PolarHBondContact O-N 3.49Å; V49-S52 PolarHBondContact O-OG 3.02Å; V49-L96 HydrophobicContact CB-CD2 4.37Å; V49-L96 HydrophobicContact CG2-CD2 3.78Å
50E88.7Confident88.4Confident152 Ų15246.2 Ų46.271%0.7125%0.251SS*.Hα-helixtrans-59.2-35.4177.2-76.9179.8168.400113.3P46P46-E50 WeakPolarHBondContact O-CB 3.47Å; P46-E50 WeakPolarHBondContact O-CG 3.18Å; P46-E50 PolarHBondContact O-N 2.81Å
51N91.4Very high88.8Confident28 Ų2846.4 Ų46.415%0.1525%0.248CC..THydrogen-bonded Turntrans-114.317.5-169.5-61.3-90.3000112.9L20 F47 F48 V49 S53 L54 I55L20-N51 VanDerWaalsContact CD2-OD1 3.27Å; L20-N51 WeakPolarHBondContact CD2-OD1 3.37Å; F47-N51 WeakPolarHBondContact CD2-ND2 3.32Å; F47-N51 WeakPolarHBondContact CE2-ND2 3.4Å; F47-N51 WeakPolarHBondContact O-CB 3.39Å; F47-N51 PolarHBondContact O-N 3.1Å; F47-N51 PolarHBondContact O-ND2 3.28Å; F48-N51 CarbonylContact O-C 3.56Å; F48-N51 PolarHBondContact O-N 3.13Å; V49-N51 VanDerWaalsContact C-N 3.27Å; V49-N51 PolarHBondContact O-N 3.49Å; N51-S53 PolarHBondContact O-N 3.24Å; N51-L54 PolarHBondContact O-N 3.47Å; N51-I55 HydrophobicContact CB-CD1 3.83Å; N51-I55 HydrophobicContact CB-CG1 4.19Å; N51-I55 WeakPolarHBondContact O-CG1 3.33Å; N51-I55 PolarHBondContact O-N 2.96Å
52S91.1Very high89.4Confident13 Ų1344 Ų449%0.09124%0.236CC..Hα-helixtrans-50.6-54.4-167.258.30000113.3F48 V49 L54 I55 F56 W104F48-S52 WeakPolarHBondContact O-CA 3.43Å; F48-S52 WeakPolarHBondContact O-CB 3.21Å; F48-S52 PolarHBondContact O-N 3.48Å; V49-S52 PolarHBondContact O-OG 3.02Å; S52-L54 PolarHBondContact O-N 3.36Å; S52-I55 PolarHBondContact O-N 3.04Å; S52-F56 WeakPolarHBondContact O-CB 3.2Å; S52-F56 PolarHBondContact O-N 2.7Å; S52-W104 WeakPolarHBondContact O-CH2 3.5Å
53S89.5Confident89.9Confident73 Ų7337.7 Ų37.751%0.5120%0.202SC..Hα-helixtrans-63-35.9178.7-61.30000113.6N51 Q57N51-S53 PolarHBondContact O-N 3.24Å; S53-Q57 WeakPolarHBondContact O-CB 3.34Å; S53-Q57 PolarHBondContact O-N 2.98Å
54L91.8Very high90Very high62 Ų6235 Ų3533%0.32519%0.189SC..Hα-helixtrans-72.2-41.2177.7175.761.5000111.3F19 L20 N51 S52 V58F19-L54 HydrophobicContact CD1-CD2 4.49Å; F19-L54 HydrophobicContact CE1-CD2 3.81Å; F19-L54 HydrophobicContact CE1-CG 4Å; F19-L54 HydrophobicContact CZ-CD2 4.32Å; F19-L54 HydrophobicContact CZ-CG 4.03Å; L20-L54 HydrophobicContact CD2-CD2 3.97Å; N51-L54 PolarHBondContact O-N 3.47Å; S52-L54 PolarHBondContact O-N 3.36Å; L54-V58 HydrophobicContact CD1-CG2 4.25Å; L54-V58 WeakPolarHBondContact O-CB 3.08Å; L54-V58 VanDerWaalsContact O-CG2 3.27Å; L54-V58 WeakPolarHBondContact O-CG2 3.34Å; L54-V58 PolarHBondContact O-N 3.4Å
55I93.9Very high89.7Confident0 Ų037.9 Ų37.90%021%0.209CC..Hα-helixtrans-63.3-45.7175.5-72.1165.5000110.3F19 L32 F47 F48 N51 S52 V58 F59 V92F19-I55 HydrophobicContact CE1-CG1 3.81Å; F19-I55 HydrophobicContact CE2-CG1 4.46Å; F19-I55 HydrophobicContact CZ-CB 4.38Å; F19-I55 HydrophobicContact CZ-CG1 3.49Å; F19-I55 VanDerWaalsContact CZ-CG1 3.49Å; L32-I55 HydrophobicContact CD1-CD1 4.47Å; L32-I55 HydrophobicContact CD1-CG1 4.37Å; L32-I55 HydrophobicContact CD2-CG1 4.26Å; L32-I55 HydrophobicContact CD2-CG2 3.91Å; F47-I55 HydrophobicContact CE1-CD1 4.34Å; F48-I55 HydrophobicContact CB-CD1 4.34Å; F48-I55 HydrophobicContact CD1-CD1 4.14Å; F48-I55 HydrophobicContact CD1-CG2 4.26Å; F48-I55 HydrophobicContact CD2-CD1 3.93Å; F48-I55 HydrophobicContact CE1-CD1 4.43Å; F48-I55 HydrophobicContact CE1-CG2 3.93Å; F48-I55 HydrophobicContact CE2-CD1 4.24Å; F48-I55 HydrophobicContact CG-CD1 3.88Å; F48-I55 HydrophobicContact CZ-CD1 4.48Å; F48-I55 HydrophobicContact CZ-CG2 4.42Å; N51-I55 HydrophobicContact CB-CD1 3.83Å; N51-I55 HydrophobicContact CB-CG1 4.19Å; N51-I55 WeakPolarHBondContact O-CG1 3.33Å; N51-I55 PolarHBondContact O-N 2.96Å; S52-I55 PolarHBondContact O-N 3.04Å; I55-V58 PolarHBondContact O-N 2.95Å; I55-F59 WeakPolarHBondContact O-CB 3.37Å; I55-F59 PolarHBondContact O-N 3.41Å; I55-V92 HydrophobicContact CG2-CG2 3.59Å
56F92.6Very high89.1Confident7 Ų736.4 Ų36.43%0.03120%0.202CC..Hα-helixtrans-65.3-41.6178.3-165.2-84.7000112.3S52 F59 S60 V92 W104 Q105 C108 I109S52-F56 WeakPolarHBondContact O-CB 3.2Å; S52-F56 PolarHBondContact O-N 2.7Å; F56-F59 HydrophobicContact CD2-CD1 4.39Å; F56-F59 HydrophobicContact CE2-CD1 4.23Å; F56-F59 HydrophobicContact CE2-CE1 4.38Å; F56-F59 HydrophobicContact CZ-CD1 4.4Å; F56-F59 HydrophobicContact CZ-CE1 4.38Å; F56-F59 PolarHBondContact O-N 3.15Å; F56-S60 WeakPolarHBondContact O-CB 3.28Å; F56-S60 PolarHBondContact O-N 3.26Å; F56-V92 HydrophobicContact CD2-CG1 4.05Å; F56-W104 HydrophobicContact CB-CH2 3.77Å; F56-W104 HydrophobicContact CB-CZ2 4.23Å; F56-W104 HydrophobicContact CD2-CH2 4.25Å; F56-W104 HydrophobicContact CD2-CZ3 4.16Å; F56-W104 HydrophobicContact CG-CH2 4.25Å; F56-Q105 HydrophobicContact CD1-CB 4.11Å; F56-Q105 HydrophobicContact CD1-CG 3.65Å; F56-Q105 HydrophobicContact CD2-CB 4.2Å; F56-Q105 HydrophobicContact CD2-CG 4.05Å; F56-Q105 HydrophobicContact CE1-CB 3.67Å; F56-Q105 HydrophobicContact CE1-CG 3.74Å; F56-Q105 HydrophobicContact CE2-CB 3.77Å; F56-Q105 HydrophobicContact CE2-CG 4.13Å; F56-Q105 HydrophobicContact CG-CB 4.37Å; F56-Q105 HydrophobicContact CG-CG 3.83Å; F56-Q105 HydrophobicContact CZ-CB 3.49Å; F56-Q105 VanDerWaalsContact CZ-CB 3.49Å; F56-Q105 HydrophobicContact CZ-CG 4Å; F56-C108 HydrophobicContact CE1-CB 3.96Å; F56-C108 HydrophobicContact CZ-CB 3.99Å; F56-I109 HydrophobicContact CE2-CD1 4.21Å; F56-I109 HydrophobicContact CE2-CG1 3.85Å; F56-I109 HydrophobicContact CZ-CG1 3.94Å
57Q90.5Very high88.1Confident105 Ų10534.1 Ų34.149%0.49119%0.186SC..Hα-helixtrans-60.4-49174.8-171.866.648.400111.3S53 F59 S60 D61S53-Q57 WeakPolarHBondContact O-CB 3.34Å; S53-Q57 PolarHBondContact O-N 2.98Å; Q57-F59 VanDerWaalsContact C-N 3.29Å; Q57-F59 PolarHBondContact O-N 3.5Å; Q57-S60 PolarHBondContact O-N 2.63Å; Q57-D61 PolarHBondContact NE2-OD1 2.92Å; Q57-D61 WeakPolarHBondContact O-CB 3.37Å; Q57-D61 PolarHBondContact O-N 3.24Å
58V92.1Very high87Confident1 Ų141.8 Ų41.81%0.00622%0.215CC..Hα-helixtrans-60.8-38.6178.7167.60000111.9F19 K28 I29 L54 I55 C62F19-V58 HydrophobicContact CE2-CB 4.35Å; F19-V58 HydrophobicContact CE2-CG1 4.18Å; F19-V58 HydrophobicContact CE2-CG2 4.18Å; F19-V58 HydrophobicContact CZ-CG2 4.41Å; K28-V58 HydrophobicContact CB-CG1 3.82Å; K28-V58 HydrophobicContact CB-CG2 4.05Å; K28-V58 HydrophobicContact CD-CG2 3.56Å; K28-V58 HydrophobicContact CG-CG2 4.47Å; I29-V58 HydrophobicContact CB-CG1 3.85Å; I29-V58 HydrophobicContact CG1-CG1 4.36Å; L54-V58 HydrophobicContact CD1-CG2 4.25Å; L54-V58 WeakPolarHBondContact O-CB 3.08Å; L54-V58 VanDerWaalsContact O-CG2 3.27Å; L54-V58 WeakPolarHBondContact O-CG2 3.34Å; L54-V58 PolarHBondContact O-N 3.4Å; I55-V58 PolarHBondContact O-N 2.95Å; V58-C62 WeakPolarHBondContact O-CB 3.1Å; V58-C62 PolarHBondContact O-N 3.35Å; V58-C62 PolarHBondContact O-SG 2.88Å; V58-C62 VanDerWaalsContact O-SG 3.36Å
59F93.8Very high85.8Confident0 Ų044.6 Ų44.60%023%0.23CC..Hα-helixtrans-62.6-52.6172.3157.6-103.8000111.7I55 F56 Q57 C62 F63 V85 V88 F89 V112I55-F59 WeakPolarHBondContact O-CB 3.37Å; I55-F59 PolarHBondContact O-N 3.41Å; F56-F59 HydrophobicContact CD2-CD1 4.39Å; F56-F59 HydrophobicContact CE2-CD1 4.23Å; F56-F59 HydrophobicContact CE2-CE1 4.38Å; F56-F59 HydrophobicContact CZ-CD1 4.4Å; F56-F59 HydrophobicContact CZ-CE1 4.38Å; F56-F59 PolarHBondContact O-N 3.15Å; Q57-F59 VanDerWaalsContact C-N 3.29Å; Q57-F59 PolarHBondContact O-N 3.5Å; F59-C62 PolarHBondContact O-N 3.44Å; F59-F63 HydrophobicContact CE2-CB 3.86Å; F59-F63 HydrophobicContact CE2-CD2 4.18Å; F59-F63 HydrophobicContact CE2-CG 4.23Å; F59-F63 HydrophobicContact CZ-CB 4.01Å; F59-F63 HydrophobicContact CZ-CD2 4.33Å; F59-F63 HydrophobicContact CZ-CG 4.16Å; F59-F63 WeakPolarHBondContact O-CB 3.18Å; F59-F63 PolarHBondContact O-N 3.43Å; F59-V85 HydrophobicContact CD2-CG1 3.87Å; F59-V85 HydrophobicContact CE2-CG1 3.65Å; F59-V88 HydrophobicContact CB-CG1 4.18Å; F59-F89 HydrophobicContact CD1-CD2 4.1Å; F59-F89 HydrophobicContact CD2-CB 3.93Å; F59-F89 HydrophobicContact CD2-CD2 4.39Å; F59-F89 AromaticContact CE1-CD2 3.51Å; F59-F89 HydrophobicContact CE1-CD2 3.51Å; F59-F89 AromaticContact CE1-CE2 3.94Å; F59-F89 HydrophobicContact CE1-CE2 3.94Å; F59-F89 HydrophobicContact CE1-CG 4.34Å; F59-F89 HydrophobicContact CE2-CB 3.57Å; F59-F89 AromaticContact CE2-CD2 3.86Å; F59-F89 HydrophobicContact CE2-CD2 3.86Å; F59-F89 AromaticContact CE2-CG 3.87Å; F59-F89 HydrophobicContact CE2-CG 3.87Å; F59-F89 HydrophobicContact CZ-CB 4.02Å; F59-F89 AromaticContact CZ-CD2 3.39Å; F59-F89 HydrophobicContact CZ-CD2 3.39Å; F59-F89 AromaticContact CZ-CE2 4Å; F59-F89 HydrophobicContact CZ-CE2 4Å; F59-F89 AromaticContact CZ-CG 3.77Å; F59-F89 HydrophobicContact CZ-CG 3.77Å; F59-V112 HydrophobicContact CE1-CG2 3.99Å; F59-V112 HydrophobicContact CZ-CB 4.5Å; F59-V112 HydrophobicContact CZ-CG1 3.89Å; F59-V112 HydrophobicContact CZ-CG2 3.8Å
60S88.8Confident84.6Confident17 Ų1743.3 Ų43.312%0.11922%0.222CC..Hα-helixtrans-60.6-47.3-177.3179.40000111.9F56 Q57 C62 F63 F64F56-S60 WeakPolarHBondContact O-CB 3.28Å; F56-S60 PolarHBondContact O-N 3.26Å; Q57-S60 PolarHBondContact O-N 2.63Å; S60-C62 VanDerWaalsContact C-N 3.29Å; S60-C62 PolarHBondContact O-N 3.49Å; S60-F63 PolarHBondContact O-N 3.09Å; S60-F64 WeakPolarHBondContact O-CD2 3.44Å; S60-F64 PolarHBondContact O-N 3.39Å; S60-F64 WeakPolarHBondContact OG-CE2 3.42Å
61D89.4Confident83.2Confident55 Ų5540.5 Ų40.529%0.29421%0.208SC..Hα-helixtrans-52.1-48.9174.1-67.2-17.9000110.7S25 Q57 S65S25-D61 WeakPolarHBondContact CB-OD2 3.3Å; S25-D61 PolarHBondContact OG-OD2 3.28Å; Q57-D61 PolarHBondContact NE2-OD1 2.92Å; Q57-D61 WeakPolarHBondContact O-CB 3.37Å; Q57-D61 PolarHBondContact O-N 3.24Å; D61-S65 WeakPolarHBondContact O-CB 3.4Å; D61-S65 PolarHBondContact O-N 3.23Å; D61-S65 PolarHBondContact O-OG 3.16Å
62C90.5Very high81.7Confident9 Ų945 Ų456%0.06123%0.231CC..Hα-helixtrans-72.7-39.9-177.6-73.10000113.2S25 T26 I29 V58 F59 S60 F66 V85S25-C62 PolarHBondContact O-SG 3.29Å; T26-C62 PolarHBondContact N-SG 2.99Å; I29-C62 HydrophobicContact CD1-CB 3.79Å; V58-C62 WeakPolarHBondContact O-CB 3.1Å; V58-C62 PolarHBondContact O-N 3.35Å; V58-C62 PolarHBondContact O-SG 2.88Å; V58-C62 VanDerWaalsContact O-SG 3.36Å; F59-C62 PolarHBondContact O-N 3.44Å; S60-C62 VanDerWaalsContact C-N 3.29Å; S60-C62 PolarHBondContact O-N 3.49Å; C62-F66 WeakPolarHBondContact O-CB 3.42Å; C62-F66 PolarHBondContact O-N 3.15Å; C62-V85 HydrophobicContact CB-CG2 4.06Å
63F89.4Confident79.8Confident1 Ų150.4 Ų50.40%0.00425%0.253CS..Hα-helixtrans-65.5-46.3179.4-176.3-91.6000111.5F59 S60 F66 E67 V85 L86 V112 D115 L116 L210F59-F63 HydrophobicContact CE2-CB 3.86Å; F59-F63 HydrophobicContact CE2-CD2 4.18Å; F59-F63 HydrophobicContact CE2-CG 4.23Å; F59-F63 HydrophobicContact CZ-CB 4.01Å; F59-F63 HydrophobicContact CZ-CD2 4.33Å; F59-F63 HydrophobicContact CZ-CG 4.16Å; F59-F63 WeakPolarHBondContact O-CB 3.18Å; F59-F63 PolarHBondContact O-N 3.43Å; S60-F63 PolarHBondContact O-N 3.09Å; F63-F66 WeakPolarHBondContact O-CB 3.48Å; F63-F66 PolarHBondContact O-N 3.33Å; F63-E67 PolarHBondContact O-N 3.47Å; F63-V85 HydrophobicContact CB-CG1 3.89Å; F63-V85 HydrophobicContact CD2-CG1 3.82Å; F63-V85 HydrophobicContact CG-CG1 4.36Å; F63-L86 HydrophobicContact CE2-CD2 4.24Å; F63-V112 HydrophobicContact CD1-CG2 3.82Å; F63-V112 HydrophobicContact CE1-CB 4.2Å; F63-V112 HydrophobicContact CE1-CG1 4.26Å; F63-V112 HydrophobicContact CE1-CG2 3.88Å; F63-V112 HydrophobicContact CE2-CG1 4.15Å; F63-V112 HydrophobicContact CG-CG2 4.36Å; F63-V112 HydrophobicContact CZ-CB 4.37Å; F63-V112 HydrophobicContact CZ-CG1 4Å; F63-V112 HydrophobicContact CZ-CG2 4.45Å; F63-D115 HydrophobicContact CE1-CB 4.36Å; F63-D115 HydrophobicContact CZ-CB 4.31Å; F63-L116 HydrophobicContact CE2-CD2 4.42Å; F63-L116 HydrophobicContact CE2-CG 4.34Å; F63-L116 HydrophobicContact CZ-CG 4.31Å; F63-L210 HydrophobicContact CE2-CD1 4.24Å; F63-L210 HydrophobicContact CZ-CD1 3.91Å
64F85.2Confident78.1Confident44 Ų4450.9 Ų50.919%0.19327%0.27CS..Hα-helixtrans-78.3-26.1179.5-61.6-49.1000113.6S60 F66 E111 V112S60-F64 WeakPolarHBondContact O-CD2 3.44Å; S60-F64 PolarHBondContact O-N 3.39Å; S60-F64 WeakPolarHBondContact OG-CE2 3.42Å; F64-F66 VanDerWaalsContact C-N 3.31Å; F64-E111 HydrophobicContact CE1-CB 4.46Å; F64-E111 HydrophobicContact CZ-CB 4.17Å; F64-V112 HydrophobicContact CE1-CG2 4.43Å; F64-V112 HydrophobicContact CZ-CG2 4.07Å
65S80.8Confident76.4Confident60 Ų6051.2 Ų51.242%0.4228%0.277SS..Hα-helixtrans-65.6-35.6165.6-60.80000111.8D61 E67 W68 D69D61-S65 WeakPolarHBondContact O-CB 3.4Å; D61-S65 PolarHBondContact O-N 3.23Å; D61-S65 PolarHBondContact O-OG 3.16Å; S65-E67 PolarHBondContact O-N 2.85Å; S65-W68 WeakPolarHBondContact O-CA 3.48Å; S65-W68 VanDerWaalsContact O-CB 3.32Å; S65-W68 WeakPolarHBondContact O-CB 3.48Å; S65-W68 PolarHBondContact O-N 2.83Å; S65-D69 PolarHBondContact O-N 2.92Å
66F74.3Confident74.7Confident12 Ų1255.3 Ų55.35%0.05331%0.305CS..Hα-helixtrans-65-38.5-179.1-175.4-92.8000112.8C62 F63 F64 W68 D69 V70 C78 E81 L82C62-F66 WeakPolarHBondContact O-CB 3.42Å; C62-F66 PolarHBondContact O-N 3.15Å; F63-F66 WeakPolarHBondContact O-CB 3.48Å; F63-F66 PolarHBondContact O-N 3.33Å; F64-F66 VanDerWaalsContact C-N 3.31Å; F66-W68 PolarHBondContact O-N 3.4Å; F66-D69 PolarHBondContact O-N 3.39Å; F66-V70 HydrophobicContact CD1-CG2 3.82Å; F66-V70 HydrophobicContact CE1-CG2 3.31Å; F66-V70 HydrophobicContact CE2-CG2 4.28Å; F66-V70 HydrophobicContact CG-CG2 4.48Å; F66-V70 HydrophobicContact CZ-CG2 3.58Å; F66-V70 WeakPolarHBondContact O-CG2 3.44Å; F66-V70 PolarHBondContact O-N 3.02Å; F66-C78 HydrophobicContact CE2-CB 3.74Å; F66-C78 WeakPolarHBondContact CE2-O 3.5Å; F66-C78 HydrophobicContact CZ-CB 3.71Å; F66-C78 WeakPolarHBondContact CZ-O 3.33Å; F66-E81 HydrophobicContact CE2-CB 4.33Å; F66-L82 HydrophobicContact CD1-CD1 4.01Å; F66-L82 HydrophobicContact CE1-CB 3.86Å; F66-L82 HydrophobicContact CE1-CD1 3.93Å; F66-L82 HydrophobicContact CE1-CD2 4.02Å; F66-L82 HydrophobicContact CE1-CG 4.15Å; F66-L82 HydrophobicContact CE2-CB 4.15Å; F66-L82 HydrophobicContact CZ-CB 3.64Å; F66-L82 HydrophobicContact CZ-CD2 4.43Å; F66-L82 HydrophobicContact CZ-CG 4.42Å
67E65.2Low73.6Confident12 Ų1259.7 Ų59.76%0.05633%0.329CS..Hα-helixtrans-56.2-34171.5-159.6-140.2129.100111.6F63 S65 K71 R205 L210F63-E67 PolarHBondContact O-N 3.47Å; S65-E67 PolarHBondContact O-N 2.85Å; E67-K71 WeakPolarHBondContact O-CD 3.28Å; E67-K71 WeakPolarHBondContact O-CG 3.05Å; E67-K71 PolarHBondContact O-N 3.29Å; E67-K71 WeakPolarHBondContact OE1-CE 3.43Å; E67-K71 IonicContact OE1-NZ 3.33Å; E67-K71 PolarHBondContact OE1-NZ 3.4Å; E67-R205 IonicContact OE2-CZ 3.9Å; E67-R205 IonicContact OE2-NE 2.68Å; E67-R205 PolarHBondContact OE2-NE 2.81Å; E67-R205 IonicContact OE2-NH2 3.34Å; E67-R205 PolarHBondContact OE2-NH2 2.85Å; E67-L210 HydrophobicContact CB-CD2 4.4Å; E67-L210 HydrophobicContact CG-CD2 4.26Å
68W66.7Low72.6Confident164 Ų16455.3 Ų55.362%0.62131%0.31SS*.Hα-helixtrans-79.6-38.1178.3-140.8-99.5000113.2S65 F66 K71 L72S65-W68 WeakPolarHBondContact O-CA 3.48Å; S65-W68 VanDerWaalsContact O-CB 3.32Å; S65-W68 WeakPolarHBondContact O-CB 3.48Å; S65-W68 PolarHBondContact O-N 2.83Å; F66-W68 PolarHBondContact O-N 3.4Å; W68-K71 HydrophobicContact CE3-CD 4.47Å; W68-K71 WeakPolarHBondContact O-CB 3.23Å; W68-K71 PolarHBondContact O-N 3.15Å; W68-L72 WeakPolarHBondContact O-CG 3.46Å; W68-L72 PolarHBondContact O-N 3.3Å
69D67.5Low71.6Confident59 Ų5957.3 Ų57.332%0.31632%0.32SS..Hα-helixtrans-69.3-35.7175.1-98.3-44.2000112.3S65 F66 K71 L72 K73S65-D69 PolarHBondContact O-N 2.92Å; F66-D69 PolarHBondContact O-N 3.39Å; D69-K71 VanDerWaalsContact C-N 3.33Å; D69-K71 PolarHBondContact O-N 2.95Å; D69-L72 PolarHBondContact O-N 2.88Å; D69-K73 PolarHBondContact O-N 2.71Å; D69-K73 IonicContact OD1-NZ 2.62Å; D69-K73 PolarHBondContact OD1-NZ 3.08Å
70V63Low70.8Confident35 Ų3563.4 Ų63.421%0.21235%0.347CS..Hα-helixtrans-60.6-41.8172.11680000111.3F66 L72F66-V70 HydrophobicContact CD1-CG2 3.82Å; F66-V70 HydrophobicContact CE1-CG2 3.31Å; F66-V70 HydrophobicContact CE2-CG2 4.28Å; F66-V70 HydrophobicContact CG-CG2 4.48Å; F66-V70 HydrophobicContact CZ-CG2 3.58Å; F66-V70 WeakPolarHBondContact O-CG2 3.44Å; F66-V70 PolarHBondContact O-N 3.02Å; V70-L72 PolarHBondContact O-N 3.08Å
71K59.5Low70.3Confident94 Ų9466.2 Ų66.241%0.40936%0.358SS..THydrogen-bonded Turntrans-62.1-17.5174.3-77.8167.8168.9169.30114.1E67 W68 D69 V208E67-K71 WeakPolarHBondContact O-CD 3.28Å; E67-K71 WeakPolarHBondContact O-CG 3.05Å; E67-K71 PolarHBondContact O-N 3.29Å; E67-K71 WeakPolarHBondContact OE1-CE 3.43Å; E67-K71 IonicContact OE1-NZ 3.33Å; E67-K71 PolarHBondContact OE1-NZ 3.4Å; W68-K71 HydrophobicContact CE3-CD 4.47Å; W68-K71 WeakPolarHBondContact O-CB 3.23Å; W68-K71 PolarHBondContact O-N 3.15Å; D69-K71 VanDerWaalsContact C-N 3.33Å; D69-K71 PolarHBondContact O-N 2.95Å; K71-V208 HydrophobicContact CG-CG1 4.42Å
72L61.1Low70.1Confident121 Ų12163.7 Ų63.763%0.63435%0.345SS*.THydrogen-bonded Turntrans-116.3-28.5-172.8-70170.1000114.8W68 D69 V70W68-L72 WeakPolarHBondContact O-CG 3.46Å; W68-L72 PolarHBondContact O-N 3.3Å; D69-L72 PolarHBondContact O-N 2.88Å; V70-L72 PolarHBondContact O-N 3.08Å
73K50.5Low69.8Low127 Ų12769 Ų6955%0.55237%0.368SS*.  trans-143.563.2-165.4-58178.9-166.3127.70112.6D69 S75 C78D69-K73 PolarHBondContact O-N 2.71Å; D69-K73 IonicContact OD1-NZ 2.62Å; D69-K73 PolarHBondContact OD1-NZ 3.08Å; K73-S75 PolarHBondContact O-N 3.15Å; K73-C78 PolarHBondContact O-SG 2.98Å
74G53.6Low69.7Low84 Ų8470.5 Ų70.587%0.86638%0.378SS*.  trans-57.397.3176.200000113.1
75S56Low69.9Low68 Ų6868.7 Ų68.748%0.47637%0.37SS..  trans-151.7149.8-173.9-172.60000111.6K73 N77 C78K73-S75 PolarHBondContact O-N 3.15Å; S75-N77 PolarHBondContact O-N 3.42Å; S75-N77 VanDerWaalsContact O-N 3.08Å; S75-C78 VanDerWaalsContact O-CB 3.29Å; S75-C78 WeakPolarHBondContact O-CB 3.35Å; S75-C78 PolarHBondContact O-N 2.97Å; S75-C78 PolarHBondContact O-SG 3.17Å; S75-C78 VanDerWaalsContact O-SG 3.35Å
76S59.2Low70.4Confident86 Ų8666.1 Ų66.160%0.60135%0.352SS*.THydrogen-bonded Turntrans-65.2-13.2-174.858.30000115.1C78S76-C78 VanDerWaalsContact C-N 3.27Å; S76-C78 PolarHBondContact O-N 2.91Å
77N68.2Low71.2Confident100 Ų10067.2 Ų67.254%0.53536%0.359SS..Hα-helixtrans-64.8-32.1169-79.9-20.5000112.3S75 I79 K80 E81S75-N77 PolarHBondContact O-N 3.42Å; S75-N77 VanDerWaalsContact O-N 3.08Å; N77-I79 VanDerWaalsContact C-N 3.28Å; N77-I79 PolarHBondContact O-N 2.8Å; N77-K80 PolarHBondContact O-N 3.42Å; N77-K80 VanDerWaalsContact O-N 3.14Å; N77-E81 PolarHBondContact O-N 2.96Å
78C70.1Confident72.4Confident13 Ų1366.6 Ų66.69%0.08836%0.357CS..Hα-helixtrans-60-38.2-177.1-59.50000111.9F66 K73 S75 S76 K80 E81 L82F66-C78 HydrophobicContact CE2-CB 3.74Å; F66-C78 WeakPolarHBondContact CE2-O 3.5Å; F66-C78 HydrophobicContact CZ-CB 3.71Å; F66-C78 WeakPolarHBondContact CZ-O 3.33Å; K73-C78 PolarHBondContact O-SG 2.98Å; S75-C78 VanDerWaalsContact O-CB 3.29Å; S75-C78 WeakPolarHBondContact O-CB 3.35Å; S75-C78 PolarHBondContact O-N 2.97Å; S75-C78 PolarHBondContact O-SG 3.17Å; S75-C78 VanDerWaalsContact O-SG 3.35Å; S76-C78 VanDerWaalsContact C-N 3.27Å; S76-C78 PolarHBondContact O-N 2.91Å; C78-K80 VanDerWaalsContact C-N 3.32Å; C78-K80 PolarHBondContact O-N 3.13Å; C78-E81 PolarHBondContact O-N 2.97Å; C78-L82 PolarHBondContact O-N 2.99Å
79I71.8Confident73.8Confident43 Ų4358.8 Ų58.822%0.22133%0.327CS..Hα-helixtrans-55.8-47.6177.2-59.3165.4000110.8N77 E81 L82 E83 L211 L216N77-I79 VanDerWaalsContact C-N 3.28Å; N77-I79 PolarHBondContact O-N 2.8Å; I79-E81 VanDerWaalsContact C-N 3.35Å; I79-E81 PolarHBondContact O-N 2.97Å; I79-L82 PolarHBondContact O-N 3.48Å; I79-E83 WeakPolarHBondContact O-CG 3.43Å; I79-E83 PolarHBondContact O-N 2.97Å; I79-L211 HydrophobicContact CG1-CD1 3.9Å; I79-L211 HydrophobicContact CG1-CD2 4.32Å; I79-L216 HydrophobicContact CD1-CD2 3.88Å; I79-L216 HydrophobicContact CG1-CD2 4.14Å; I79-L216 HydrophobicContact CG2-CD2 4.08Å
80K76.5Confident75Confident127 Ų12757.4 Ų57.455%0.55232%0.319SS*.Hα-helixtrans-69.5-31.8-178.8-66.3172.4-176.7164.80112.8N77 C78 V84N77-K80 PolarHBondContact O-N 3.42Å; N77-K80 VanDerWaalsContact O-N 3.14Å; C78-K80 VanDerWaalsContact C-N 3.32Å; C78-K80 PolarHBondContact O-N 3.13Å; K80-V84 WeakPolarHBondContact O-CG2 3.37Å; K80-V84 PolarHBondContact O-N 3.1Å; K80-V84 VanDerWaalsContact O-N 3.14Å
81E78.8Confident76.5Confident77 Ų7757.1 Ų57.136%0.3632%0.315SS..Hα-helixtrans-75.2-36176.5-62.9-165.8136.600111.2K30 F66 N77 C78 I79 V84 V85K30-E81 VanDerWaalsContact CE-OE1 3.23Å; K30-E81 WeakPolarHBondContact CE-OE1 3.35Å; K30-E81 IonicContact NZ-OE1 3.98Å; K30-E81 PolarHBondContact NZ-OE1 3.36Å; F66-E81 HydrophobicContact CE2-CB 4.33Å; N77-E81 PolarHBondContact O-N 2.96Å; C78-E81 PolarHBondContact O-N 2.97Å; I79-E81 VanDerWaalsContact C-N 3.35Å; I79-E81 PolarHBondContact O-N 2.97Å; E81-V84 PolarHBondContact O-N 3.11Å; E81-V85 VanDerWaalsContact O-CG2 3.28Å; E81-V85 WeakPolarHBondContact O-CG2 3.42Å; E81-V85 PolarHBondContact O-N 3.27Å
82L84.4Confident78.1Confident2 Ų252.7 Ų52.71%0.0130%0.295CS..Hα-helixtrans-64.1-43.2169-173.461.1000112.2F66 C78 I79 V84 V85 L86 I125 L211F66-L82 HydrophobicContact CD1-CD1 4.01Å; F66-L82 HydrophobicContact CE1-CB 3.86Å; F66-L82 HydrophobicContact CE1-CD1 3.93Å; F66-L82 HydrophobicContact CE1-CD2 4.02Å; F66-L82 HydrophobicContact CE1-CG 4.15Å; F66-L82 HydrophobicContact CE2-CB 4.15Å; F66-L82 HydrophobicContact CZ-CB 3.64Å; F66-L82 HydrophobicContact CZ-CD2 4.43Å; F66-L82 HydrophobicContact CZ-CG 4.42Å; C78-L82 PolarHBondContact O-N 2.99Å; I79-L82 PolarHBondContact O-N 3.48Å; L82-V84 VanDerWaalsContact C-N 3.28Å; L82-V84 PolarHBondContact O-N 3.44Å; L82-V85 PolarHBondContact O-N 3.01Å; L82-L86 HydrophobicContact CD1-CD1 3.98Å; L82-L86 HydrophobicContact CD1-CD2 4.48Å; L82-L86 HydrophobicContact CD1-CG 3.94Å; L82-L86 HydrophobicContact CD2-CD1 4.41Å; L82-L86 HydrophobicContact CG-CD1 3.84Å; L82-L86 HydrophobicContact CG-CG 4.17Å; L82-L86 WeakPolarHBondContact O-CB 3.45Å; L82-L86 WeakPolarHBondContact O-CG 3.45Å; L82-L86 PolarHBondContact O-N 3.05Å; L82-I125 HydrophobicContact CD2-CD1 3.95Å; L82-L211 HydrophobicContact CD2-CD1 3.86Å; L82-L211 HydrophobicContact CD2-CG 4.22Å
83E84.1Confident79.6Confident119 Ų11946.9 Ų46.956%0.55627%0.265SS*.Hα-helixtrans-55.9-42.6173.2-76.5-179.1142.800111.8I79 T87I79-E83 WeakPolarHBondContact O-CG 3.43Å; I79-E83 PolarHBondContact O-N 2.97Å; E83-T87 WeakPolarHBondContact O-CB 3.26Å; E83-T87 PolarHBondContact O-N 3.12Å; E83-T87 PolarHBondContact O-OG1 3.27Å
84V87.3Confident81.6Confident34 Ų3441.1 Ų41.121%0.20624%0.24CC..Hα-helixtrans-63.8-48176.1166.50000111.3I29 K33 K80 E81 L82 L86 T87 V88I29-V84 HydrophobicContact CG1-CG1 4.47Å; K33-V84 HydrophobicContact CB-CG1 3.96Å; K33-V84 HydrophobicContact CD-CG1 4.38Å; K33-V84 HydrophobicContact CD-CG2 4.4Å; K33-V84 HydrophobicContact CG-CG1 4.17Å; K33-V84 HydrophobicContact CG-CG2 4.13Å; K80-V84 WeakPolarHBondContact O-CG2 3.37Å; K80-V84 PolarHBondContact O-N 3.1Å; K80-V84 VanDerWaalsContact O-N 3.14Å; E81-V84 PolarHBondContact O-N 3.11Å; L82-V84 VanDerWaalsContact C-N 3.28Å; L82-V84 PolarHBondContact O-N 3.44Å; V84-L86 PolarHBondContact O-N 3.44Å; V84-T87 PolarHBondContact O-N 2.78Å; V84-V88 WeakPolarHBondContact O-CG2 3.36Å; V84-V88 PolarHBondContact O-N 2.89Å
85V89.9Confident83.4Confident6 Ų637.1 Ų37.14%0.03620%0.199CC..Hα-helixtrans-58.9-46177170.70000111.1I29 F59 C62 F63 E81 L82 T87 V88 F89I29-V85 HydrophobicContact CD1-CB 4.4Å; I29-V85 HydrophobicContact CD1-CG2 3.79Å; F59-V85 HydrophobicContact CD2-CG1 3.87Å; F59-V85 HydrophobicContact CE2-CG1 3.65Å; C62-V85 HydrophobicContact CB-CG2 4.06Å; F63-V85 HydrophobicContact CB-CG1 3.89Å; F63-V85 HydrophobicContact CD2-CG1 3.82Å; F63-V85 HydrophobicContact CG-CG1 4.36Å; E81-V85 VanDerWaalsContact O-CG2 3.28Å; E81-V85 WeakPolarHBondContact O-CG2 3.42Å; E81-V85 PolarHBondContact O-N 3.27Å; L82-V85 PolarHBondContact O-N 3.01Å; V85-T87 VanDerWaalsContact C-N 3.34Å; V85-T87 PolarHBondContact O-N 3.04Å; V85-V88 PolarHBondContact O-N 2.78Å; V85-F89 PolarHBondContact O-N 3.23Å
86L91.3Very high85.1Confident6 Ų633.9 Ų33.93%0.03118%0.176CC..Hα-helixtrans-77-15.6-179.5-63.9-178.6000114.2F63 L82 V84 E90 L116 R128 L132F63-L86 HydrophobicContact CE2-CD2 4.24Å; L82-L86 HydrophobicContact CD1-CD1 3.98Å; L82-L86 HydrophobicContact CD1-CD2 4.48Å; L82-L86 HydrophobicContact CD1-CG 3.94Å; L82-L86 HydrophobicContact CD2-CD1 4.41Å; L82-L86 HydrophobicContact CG-CD1 3.84Å; L82-L86 HydrophobicContact CG-CG 4.17Å; L82-L86 WeakPolarHBondContact O-CB 3.45Å; L82-L86 WeakPolarHBondContact O-CG 3.45Å; L82-L86 PolarHBondContact O-N 3.05Å; V84-L86 PolarHBondContact O-N 3.44Å; L86-E90 WeakPolarHBondContact O-CB 3.33Å; L86-E90 PolarHBondContact O-N 3.44Å; L86-L116 HydrophobicContact CD1-CD2 3.9Å; L86-L116 HydrophobicContact CD2-CD1 3.84Å; L86-L116 HydrophobicContact CD2-CD2 3.96Å; L86-L116 HydrophobicContact CD2-CG 4.48Å; L86-R128 HydrophobicContact CD1-CG 4.2Å; L86-R128 PolarHBondContact O-NH2 3.43Å; L86-L132 HydrophobicContact CD2-CD1 4.24Å
87T89.5Confident86.5Confident34 Ų3429.8 Ų29.821%0.20915%0.147CC..Hα-helixtrans-78.2-41.3167.5-53.30000110.7K33 I36 E83 V84 V85 E90 K91K33-T87 HydrophobicContact CD-CG2 4Å; I36-T87 HydrophobicContact CG2-CG2 4.37Å; E83-T87 WeakPolarHBondContact O-CB 3.26Å; E83-T87 PolarHBondContact O-N 3.12Å; E83-T87 PolarHBondContact O-OG1 3.27Å; V84-T87 PolarHBondContact O-N 2.78Å; V85-T87 VanDerWaalsContact C-N 3.34Å; V85-T87 PolarHBondContact O-N 3.04Å; T87-E90 PolarHBondContact O-N 2.92Å; T87-K91 PolarHBondContact O-N 2.99Å; T87-K91 VanDerWaalsContact O-N 3.08Å
88V91.8Very high87.5Confident0 Ų027.1 Ų27.10%013%0.132CC..Hα-helixtrans-62.1-45.2173.5168.80000110.4I29 L32 I36 F59 V84 V85 E90 K91 V92I29-V88 HydrophobicContact CD1-CB 4.46Å; I29-V88 HydrophobicContact CD1-CG2 4.34Å; I29-V88 HydrophobicContact CG1-CB 4.43Å; I29-V88 HydrophobicContact CG1-CG2 3.84Å; L32-V88 HydrophobicContact CD2-CB 4.49Å; L32-V88 HydrophobicContact CD2-CG1 3.6Å; L32-V88 HydrophobicContact CD2-CG2 4.03Å; L32-V88 HydrophobicContact CG-CG2 4.26Å; I36-V88 HydrophobicContact CD1-CB 4.39Å; I36-V88 HydrophobicContact CD1-CG2 3.71Å; F59-V88 HydrophobicContact CB-CG1 4.18Å; V84-V88 WeakPolarHBondContact O-CG2 3.36Å; V84-V88 PolarHBondContact O-N 2.89Å; V85-V88 PolarHBondContact O-N 2.78Å; V88-E90 PolarHBondContact O-N 3.22Å; V88-K91 PolarHBondContact O-N 2.93Å; V88-V92 WeakPolarHBondContact O-CG2 3.23Å; V88-V92 PolarHBondContact O-N 3.33Å
89F94.9Very high88.4Confident0 Ų029.2 Ų29.20%014%0.14CC..Hα-helixtrans-62.3-40.7176.2-174.4-120.8000112.9F59 V85 K91 V92 L93 I109 V112 I113 L132F59-F89 HydrophobicContact CD1-CD2 4.1Å; F59-F89 HydrophobicContact CD2-CB 3.93Å; F59-F89 HydrophobicContact CD2-CD2 4.39Å; F59-F89 AromaticContact CE1-CD2 3.51Å; F59-F89 HydrophobicContact CE1-CD2 3.51Å; F59-F89 AromaticContact CE1-CE2 3.94Å; F59-F89 HydrophobicContact CE1-CE2 3.94Å; F59-F89 HydrophobicContact CE1-CG 4.34Å; F59-F89 HydrophobicContact CE2-CB 3.57Å; F59-F89 AromaticContact CE2-CD2 3.86Å; F59-F89 HydrophobicContact CE2-CD2 3.86Å; F59-F89 AromaticContact CE2-CG 3.87Å; F59-F89 HydrophobicContact CE2-CG 3.87Å; F59-F89 HydrophobicContact CZ-CB 4.02Å; F59-F89 AromaticContact CZ-CD2 3.39Å; F59-F89 HydrophobicContact CZ-CD2 3.39Å; F59-F89 AromaticContact CZ-CE2 4Å; F59-F89 HydrophobicContact CZ-CE2 4Å; F59-F89 AromaticContact CZ-CG 3.77Å; F59-F89 HydrophobicContact CZ-CG 3.77Å; V85-F89 PolarHBondContact O-N 3.23Å; F89-K91 PolarHBondContact O-N 2.82Å; F89-V92 WeakPolarHBondContact O-CB 3.01Å; F89-V92 PolarHBondContact O-N 2.94Å; F89-L93 HydrophobicContact CD1-CD1 4.28Å; F89-L93 HydrophobicContact CE1-CD1 3.81Å; F89-L93 HydrophobicContact CE1-CG 4.39Å; F89-L93 HydrophobicContact CE2-CD2 4.29Å; F89-L93 HydrophobicContact CE2-CG 4.34Å; F89-L93 HydrophobicContact CZ-CD1 3.97Å; F89-L93 HydrophobicContact CZ-CD2 4.2Å; F89-L93 HydrophobicContact CZ-CG 4.19Å; F89-L93 WeakPolarHBondContact O-CG 3.37Å; F89-L93 PolarHBondContact O-N 2.88Å; F89-I109 HydrophobicContact CE2-CG1 4.48Å; F89-I109 HydrophobicContact CZ-CG2 4.09Å; F89-V112 HydrophobicContact CD1-CG1 4.27Å; F89-V112 HydrophobicContact CE1-CG1 3.82Å; F89-V112 HydrophobicContact CE2-CG1 4.15Å; F89-V112 HydrophobicContact CZ-CG1 3.76Å; F89-I113 HydrophobicContact CE1-CD1 4.04Å; F89-I113 HydrophobicContact CZ-CD1 4.32Å; F89-L132 HydrophobicContact CD1-CD1 3.98Å; F89-L132 HydrophobicContact CD1-CD2 4.02Å; F89-L132 HydrophobicContact CD1-CG 4.42Å; F89-L132 HydrophobicContact CE1-CB 4.22Å; F89-L132 HydrophobicContact CE1-CD1 4.31Å; F89-L132 HydrophobicContact CE1-CD2 4.42Å
90E94.3Very high89.3Confident30 Ų3027.2 Ų27.214%0.1413%0.13CC..Hα-helixtrans-56.8-50172.6178.3171.9-177.200111.5L86 T87 V88 V92 L93 L94 R128 R131 L132L86-E90 WeakPolarHBondContact O-CB 3.33Å; L86-E90 PolarHBondContact O-N 3.44Å; T87-E90 PolarHBondContact O-N 2.92Å; V88-E90 PolarHBondContact O-N 3.22Å; E90-V92 VanDerWaalsContact C-N 3.33Å; E90-V92 PolarHBondContact O-N 3.19Å; E90-L93 PolarHBondContact O-N 3.45Å; E90-L93 VanDerWaalsContact O-N 3.08Å; E90-L94 HydrophobicContact CG-CD1 3.83Å; E90-L94 HydrophobicContact CG-CG 4.25Å; E90-L94 WeakPolarHBondContact O-CG 3.38Å; E90-L94 PolarHBondContact O-N 3.01Å; E90-R128 IonicContact OE2-CZ 2.81Å; E90-R128 VanDerWaalsContact OE2-CZ 3.31Å; E90-R128 IonicContact OE2-NH1 2.69Å; E90-R128 PolarHBondContact OE2-NH1 2.93Å; E90-R128 IonicContact OE2-NH2 3.16Å; E90-R128 PolarHBondContact OE2-NH2 2.92Å; E90-R131 IonicContact OE1-CZ 2.71Å; E90-R131 IonicContact OE1-NH1 2.62Å; E90-R131 PolarHBondContact OE1-NH1 3.09Å; E90-R131 IonicContact OE1-NH2 3.22Å; E90-R131 PolarHBondContact OE1-NH2 3.36Å; E90-R131 IonicContact OE2-CZ 2.87Å; E90-R131 IonicContact OE2-NH1 2.67Å; E90-R131 PolarHBondContact OE2-NH1 3.34Å; E90-L132 HydrophobicContact CB-CD2 3.92Å; E90-L132 HydrophobicContact CG-CD2 4.46Å
91K93.4Very high89.9Confident29 Ų2924.6 Ų24.613%0.12612%0.119CC..Hα-helixtrans-70.3-26.3179-77.5-71.6-179.9176.30113.4I36 D41 L44 F48 T87 V88 F89 L95 E245I36-K91 HydrophobicContact CD1-CB 4.4Å; I36-K91 HydrophobicContact CG2-CG 4.08Å; D41-K91 WeakPolarHBondContact OD1-CE 3.37Å; D41-K91 IonicContact OD1-NZ 2.72Å; D41-K91 PolarHBondContact OD1-NZ 3.28Å; D41-K91 IonicContact OD2-NZ 3.22Å; D41-K91 PolarHBondContact OD2-NZ 3.01Å; L44-K91 HydrophobicContact CD2-CD 4.31Å; F48-K91 HydrophobicContact CE1-CB 4.02Å; F48-K91 HydrophobicContact CZ-CB 4.06Å; T87-K91 PolarHBondContact O-N 2.99Å; T87-K91 VanDerWaalsContact O-N 3.08Å; V88-K91 PolarHBondContact O-N 2.93Å; F89-K91 PolarHBondContact O-N 2.82Å; K91-L95 HydrophobicContact CB-CD1 4.22Å; K91-L95 HydrophobicContact CB-CG 4.49Å; K91-L95 HydrophobicContact CD-CD1 3.94Å; K91-L95 HydrophobicContact CD-CD2 4.33Å; K91-L95 HydrophobicContact CD-CG 3.97Å; K91-L95 WeakPolarHBondContact O-CB 3.24Å; K91-L95 VanDerWaalsContact O-CG 3.25Å; K91-L95 WeakPolarHBondContact O-CG 3.33Å; K91-L95 PolarHBondContact O-N 2.86Å; K91-E245 IonicContact NZ-OE1 3.81Å; K91-E245 PolarHBondContact NZ-OE1 3.4Å
92V93.2Very high90.4Very high0 Ų028.3 Ų28.30%014%0.137CC..Hα-helixtrans-60.6-44.4165.7163.90000111.1F48 I55 F56 V88 F89 E90 L96F48-V92 HydrophobicContact CD1-CG2 4.39Å; F48-V92 HydrophobicContact CE1-CG2 3.96Å; I55-V92 HydrophobicContact CG2-CG2 3.59Å; F56-V92 HydrophobicContact CD2-CG1 4.05Å; V88-V92 WeakPolarHBondContact O-CG2 3.23Å; V88-V92 PolarHBondContact O-N 3.33Å; F89-V92 WeakPolarHBondContact O-CB 3.01Å; F89-V92 PolarHBondContact O-N 2.94Å; E90-V92 VanDerWaalsContact C-N 3.33Å; E90-V92 PolarHBondContact O-N 3.19Å; V92-L96 HydrophobicContact CG1-CD1 4.43Å; V92-L96 WeakPolarHBondContact O-CB 3.5Å; V92-L96 PolarHBondContact O-N 2.95Å
93L93.5Very high90.6Very high0 Ų034 Ų340%016%0.158CC..Hα-helixtrans-68.7-42.1178.7-66.1179.8000112.7F89 E90 I100 L132 I135 W136 I139F89-L93 HydrophobicContact CD1-CD1 4.28Å; F89-L93 HydrophobicContact CE1-CD1 3.81Å; F89-L93 HydrophobicContact CE1-CG 4.39Å; F89-L93 HydrophobicContact CE2-CD2 4.29Å; F89-L93 HydrophobicContact CE2-CG 4.34Å; F89-L93 HydrophobicContact CZ-CD1 3.97Å; F89-L93 HydrophobicContact CZ-CD2 4.2Å; F89-L93 HydrophobicContact CZ-CG 4.19Å; F89-L93 WeakPolarHBondContact O-CG 3.37Å; F89-L93 PolarHBondContact O-N 2.88Å; E90-L93 PolarHBondContact O-N 3.45Å; E90-L93 VanDerWaalsContact O-N 3.08Å; L93-I100 HydrophobicContact CD2-CD1 3.85Å; L93-L132 HydrophobicContact CD1-CB 4.26Å; L93-L132 HydrophobicContact CD1-CD2 4.07Å; L93-L132 WeakPolarHBondContact CD1-O 3.17Å; L93-I135 HydrophobicContact CB-CG2 3.76Å; L93-I135 HydrophobicContact CD1-CB 4.46Å; L93-I135 HydrophobicContact CD1-CG2 4.36Å; L93-W136 HydrophobicContact CD1-CB 4.2Å; L93-W136 HydrophobicContact CD2-CB 3.92Å; L93-W136 HydrophobicContact CD2-CG 4.12Å; L93-I139 WeakPolarHBondContact O-CD1 3.37Å
94L91.8Very high91Very high5 Ų530.7 Ų30.73%0.02614%0.141CC..Hα-helixtrans-76.7-32.4-175.9-61.5179.1000113.9E90 I135 K243 I244 E245E90-L94 HydrophobicContact CG-CD1 3.83Å; E90-L94 HydrophobicContact CG-CG 4.25Å; E90-L94 WeakPolarHBondContact O-CG 3.38Å; E90-L94 PolarHBondContact O-N 3.01Å; L94-I135 HydrophobicContact CD2-CD1 4.16Å; L94-I135 HydrophobicContact CD2-CG1 4.33Å; L94-I135 HydrophobicContact CD2-CG2 3.54Å; L94-I135 HydrophobicContact CG-CG2 4.47Å; L94-K243 HydrophobicContact CD1-CB 4.27Å; L94-K243 HydrophobicContact CD2-CB 3.95Å; L94-K243 WeakPolarHBondContact CD2-O 3.32Å; L94-I244 HydrophobicContact CD2-CG1 3.98Å; L94-E245 PolarHBondContact O-N 3.38Å
95L91Very high91.1Very high0 Ų032.8 Ų32.80%015%0.148CC..Hα-helixtrans-101.9-5.5-171.9-56.2-177.8000115.3L44 Q45 F48 K91 E245L44-L95 HydrophobicContact CB-CD1 4.09Å; L44-L95 HydrophobicContact CD2-CD1 3.78Å; L44-L95 HydrophobicContact CG-CD1 3.72Å; Q45-L95 HydrophobicContact CB-CD2 4.23Å; Q45-L95 HydrophobicContact CG-CB 4.46Å; Q45-L95 HydrophobicContact CG-CD2 4.47Å; F48-L95 HydrophobicContact CB-CB 4.18Å; F48-L95 HydrophobicContact CB-CD1 4.25Å; F48-L95 HydrophobicContact CD1-CB 4.27Å; F48-L95 HydrophobicContact CD1-CD1 4.04Å; F48-L95 HydrophobicContact CD2-CD1 3.93Å; F48-L95 HydrophobicContact CE1-CD1 4.38Å; F48-L95 HydrophobicContact CE2-CD1 4.28Å; F48-L95 HydrophobicContact CG-CB 4.33Å; F48-L95 HydrophobicContact CG-CD1 3.81Å; F48-L95 HydrophobicContact CZ-CD1 4.49Å; K91-L95 HydrophobicContact CB-CD1 4.22Å; K91-L95 HydrophobicContact CB-CG 4.49Å; K91-L95 HydrophobicContact CD-CD1 3.94Å; K91-L95 HydrophobicContact CD-CD2 4.33Å; K91-L95 HydrophobicContact CD-CG 3.97Å; K91-L95 WeakPolarHBondContact O-CB 3.24Å; K91-L95 VanDerWaalsContact O-CG 3.25Å; K91-L95 WeakPolarHBondContact O-CG 3.33Å; K91-L95 PolarHBondContact O-N 2.86Å; L95-E245 HydrophobicContact CD2-CB 4.08Å; L95-E245 HydrophobicContact CD2-CG 4.24Å; L95-E245 WeakPolarHBondContact CD2-OE2 3.32Å
96L91.6Very high91.2Very high0 Ų033.3 Ų33.30%015%0.15CC..  trans-123.239.9178.7-61.6173.1000113.9F48 V49 V92 E98 H99 I100 W104F48-L96 HydrophobicContact CB-CD2 4.25Å; F48-L96 HydrophobicContact CB-CG 4.41Å; V49-L96 HydrophobicContact CB-CD2 4.37Å; V49-L96 HydrophobicContact CG2-CD2 3.78Å; V92-L96 HydrophobicContact CG1-CD1 4.43Å; V92-L96 WeakPolarHBondContact O-CB 3.5Å; V92-L96 PolarHBondContact O-N 2.95Å; L96-E98 VanDerWaalsContact C-N 3.34Å; L96-E98 PolarHBondContact O-N 3.49Å; L96-H99 PolarHBondContact O-N 3.39Å; L96-I100 HydrophobicContact CB-CD1 4.41Å; L96-I100 WeakPolarHBondContact O-CG1 3.47Å; L96-I100 PolarHBondContact O-N 3.28Å; L96-I100 VanDerWaalsContact O-N 3.15Å; L96-W104 HydrophobicContact CD1-CH2 3.89Å; L96-W104 HydrophobicContact CD1-CZ3 3.76Å
97P90Very high91.1Very high0 Ų038.6 Ų38.60%018%0.179CC..Hα-helixtrans-64.8-33-169.728.9-35.8000113.5H99 I100 H101 I139 I244 E245 W246P97-H99 PolarHBondContact O-N 3.02Å; P97-I100 PolarHBondContact O-N 2.81Å; P97-H101 WeakPolarHBondContact O-CB 3.28Å; P97-H101 PolarHBondContact O-N 2.82Å; P97-I139 HydrophobicContact CB-CD1 4.13Å; P97-I139 HydrophobicContact CB-CG1 4.16Å; P97-I139 HydrophobicContact CB-CG2 3.83Å; P97-I139 WeakPolarHBondContact O-CG2 3.37Å; P97-I244 HydrophobicContact CB-CG2 3.61Å; P97-I244 HydrophobicContact CG-CG2 3.86Å; P97-E245 WeakPolarHBondContact CG-O 2.95Å; P97-W246 HydrophobicContact CB-CD2 3.81Å; P97-W246 HydrophobicContact CB-CE3 3.7Å; P97-W246 HydrophobicContact CB-CH2 3.93Å; P97-W246 HydrophobicContact CB-CZ2 4.02Å; P97-W246 HydrophobicContact CB-CZ3 3.77Å; P97-W246 HydrophobicContact CG-CD2 3.73Å; P97-W246 HydrophobicContact CG-CE3 3.63Å; P97-W246 HydrophobicContact CG-CG 4.11Å; P97-W246 HydrophobicContact CG-CZ3 4.17Å
98E88.1Confident91.1Very high45 Ų4538 Ų3821%0.2118%0.176CC..Hα-helixtrans-63.7-41.4178.2-61.278.6-175.200112.3L96 Q102 W246 S247L96-E98 VanDerWaalsContact C-N 3.34Å; L96-E98 PolarHBondContact O-N 3.49Å; E98-Q102 WeakPolarHBondContact O-CG 3.2Å; E98-Q102 PolarHBondContact O-N 3.38Å; E98-W246 HydrophobicContact CG-CE3 4.1Å; E98-W246 HydrophobicContact CG-CZ3 4.16Å; E98-S247 VanDerWaalsContact OE1-CB 3.22Å; E98-S247 WeakPolarHBondContact OE1-CB 3.27Å; E98-S247 PolarHBondContact OE1-N 3.41Å; E98-S247 PolarHBondContact OE1-OG 3.33Å
99H90Very high91.2Very high57 Ų5738 Ų3826%0.26418%0.176SC..Hα-helixtrans-66.2-48.3177.1-6880.6000109.9L96 P97 H101 Q102 W104L96-H99 PolarHBondContact O-N 3.39Å; P97-H99 PolarHBondContact O-N 3.02Å; H99-H101 VanDerWaalsContact C-N 3.33Å; H99-H101 PolarHBondContact O-N 3.44Å; H99-Q102 CarbonylContact O-C 3.55Å; H99-Q102 WeakPolarHBondContact O-CA 3.16Å; H99-Q102 WeakPolarHBondContact O-CB 3.28Å; H99-Q102 PolarHBondContact O-N 3.42Å; H99-Q102 VanDerWaalsContact O-N 3.11Å; H99-W104 HydrophobicContact CB-CB 3.9Å; H99-W104 HydrophobicContact CB-CD2 3.93Å; H99-W104 HydrophobicContact CB-CE3 3.83Å; H99-W104 HydrophobicContact CB-CG 4.01Å; H99-W104 WeakPolarHBondContact O-CB 3.45Å; H99-W104 PolarHBondContact O-N 3.2Å
100I90.8Very high91Very high1 Ų138.9 Ų38.91%0.00518%0.18CC..Hα-helixtrans-62.5-40.1-179.3-70.3166.4000111.3L93 L96 P97 Q102 R103 I139 L140L93-I100 HydrophobicContact CD2-CD1 3.85Å; L96-I100 HydrophobicContact CB-CD1 4.41Å; L96-I100 WeakPolarHBondContact O-CG1 3.47Å; L96-I100 PolarHBondContact O-N 3.28Å; L96-I100 VanDerWaalsContact O-N 3.15Å; P97-I100 PolarHBondContact O-N 2.81Å; I100-Q102 PolarHBondContact O-N 2.91Å; I100-R103 WeakPolarHBondContact O-CA 3.27Å; I100-R103 PolarHBondContact O-N 3.48Å; I100-I139 HydrophobicContact CB-CG2 3.82Å; I100-I139 HydrophobicContact CG2-CB 3.99Å; I100-I139 HydrophobicContact CG2-CD1 4.48Å; I100-I139 HydrophobicContact CG2-CG2 3.53Å; I100-L140 WeakPolarHBondContact O-CD2 3.5Å
101H88.5Confident90.8Very high71 Ų7141.2 Ų41.233%0.32919%0.191SC..Hα-helixtrans-60.7-33175.6-175.476.2000112.4P97 H99 R103 I139 N143 W246P97-H101 WeakPolarHBondContact O-CB 3.28Å; P97-H101 PolarHBondContact O-N 2.82Å; H99-H101 VanDerWaalsContact C-N 3.33Å; H99-H101 PolarHBondContact O-N 3.44Å; H101-R103 PolarHBondContact O-N 3.12Å; H101-I139 HydrophobicContact CB-CG2 4.15Å; H101-I139 PolarHBondContact ND1-O 2.95Å; H101-N143 PolarHBondContact CD2-ND2 2.78Å; H101-N143 PolarHBondContact CE1-ND2 3.45Å; H101-N143 VanDerWaalsContact CE1-ND2 3.34Å; H101-N143 PolarHBondContact NE2-ND2 3.26Å; H101-N143 VanDerWaalsContact NE2-ND2 3.1Å; H101-N143 PolarHBondContact O-ND2 2.82Å; H101-W246 HydrophobicContact CB-CH2 4.06Å; H101-W246 HydrophobicContact CB-CZ3 4.46Å
102Q89.1Confident90.7Very high156 Ų15639.8 Ų39.873%0.72919%0.185SC*.THydrogen-bonded Turntrans-80.112.9171.5-64.1177.220.600113.7E98 H99 I100 W104E98-Q102 WeakPolarHBondContact O-CG 3.2Å; E98-Q102 PolarHBondContact O-N 3.38Å; H99-Q102 CarbonylContact O-C 3.55Å; H99-Q102 WeakPolarHBondContact O-CA 3.16Å; H99-Q102 WeakPolarHBondContact O-CB 3.28Å; H99-Q102 PolarHBondContact O-N 3.42Å; H99-Q102 VanDerWaalsContact O-N 3.11Å; I100-Q102 PolarHBondContact O-N 2.91Å; Q102-W104 VanDerWaalsContact C-N 3.27Å; Q102-W104 PolarHBondContact O-N 2.84Å
103R89.2Confident90.7Very high122 Ų12239.8 Ų39.846%0.4619%0.185SC..THydrogen-bonded Turntrans6225.1-176.3-57.2179176.5164.7-0.5114.6I100 H101 Q105 H106 L140 N143I100-R103 WeakPolarHBondContact O-CA 3.27Å; I100-R103 PolarHBondContact O-N 3.48Å; H101-R103 PolarHBondContact O-N 3.12Å; R103-Q105 PolarHBondContact O-N 2.85Å; R103-H106 HydrophobicContact CB-CB 3.89Å; R103-H106 WeakPolarHBondContact O-CB 3.41Å; R103-H106 PolarHBondContact O-N 3.04Å; R103-H106 VanDerWaalsContact O-N 3.16Å; R103-L140 HydrophobicContact CG-CD2 4.11Å; R103-N143 PolarHBondContact NE-O 2.89Å; R103-N143 PolarHBondContact NH2-O 3.46Å
104W91.8Very high90.7Very high48 Ų4841.9 Ų41.918%0.18220%0.195CC..THydrogen-bonded Turntrans-56.3130.3171.9-179.475.8000110.9S52 F56 L96 H99 Q102 H106S52-W104 WeakPolarHBondContact O-CH2 3.5Å; F56-W104 HydrophobicContact CB-CH2 3.77Å; F56-W104 HydrophobicContact CB-CZ2 4.23Å; F56-W104 HydrophobicContact CD2-CH2 4.25Å; F56-W104 HydrophobicContact CD2-CZ3 4.16Å; F56-W104 HydrophobicContact CG-CH2 4.25Å; L96-W104 HydrophobicContact CD1-CH2 3.89Å; L96-W104 HydrophobicContact CD1-CZ3 3.76Å; H99-W104 HydrophobicContact CB-CB 3.9Å; H99-W104 HydrophobicContact CB-CD2 3.93Å; H99-W104 HydrophobicContact CB-CE3 3.83Å; H99-W104 HydrophobicContact CB-CG 4.01Å; H99-W104 WeakPolarHBondContact O-CB 3.45Å; H99-W104 PolarHBondContact O-N 3.2Å; Q102-W104 VanDerWaalsContact C-N 3.27Å; Q102-W104 PolarHBondContact O-N 2.84Å; W104-H106 PolarHBondContact O-N 3.28Å
105Q90.4Very high90.6Very high79 Ų7942 Ų4237%0.36920%0.195SC..THydrogen-bonded Turntrans54.815.5-176.7-52.3-62.8-6.700116.3F56 R103 N107 C108 I109F56-Q105 HydrophobicContact CD1-CB 4.11Å; F56-Q105 HydrophobicContact CD1-CG 3.65Å; F56-Q105 HydrophobicContact CD2-CB 4.2Å; F56-Q105 HydrophobicContact CD2-CG 4.05Å; F56-Q105 HydrophobicContact CE1-CB 3.67Å; F56-Q105 HydrophobicContact CE1-CG 3.74Å; F56-Q105 HydrophobicContact CE2-CB 3.77Å; F56-Q105 HydrophobicContact CE2-CG 4.13Å; F56-Q105 HydrophobicContact CG-CB 4.37Å; F56-Q105 HydrophobicContact CG-CG 3.83Å; F56-Q105 HydrophobicContact CZ-CB 3.49Å; F56-Q105 VanDerWaalsContact CZ-CB 3.49Å; F56-Q105 HydrophobicContact CZ-CG 4Å; R103-Q105 PolarHBondContact O-N 2.85Å; Q105-N107 VanDerWaalsContact C-N 3.31Å; Q105-N107 PolarHBondContact O-N 3.36Å; Q105-N107 VanDerWaalsContact O-N 3.07Å; Q105-C108 PolarHBondContact O-N 3.49Å; Q105-I109 HydrophobicContact CB-CD1 4.25Å; Q105-I109 HydrophobicContact CB-CG1 4.43Å; Q105-I109 WeakPolarHBondContact O-CG1 3.42Å; Q105-I109 PolarHBondContact O-N 2.87Å
106H90.6Very high90.7Very high16 Ų1642 Ų427%0.07420%0.195CC..Hα-helixtrans-47.3-43.8-171.6168.2-86.2000114.8R103 W104 I109 I110 W136 T145R103-H106 HydrophobicContact CB-CB 3.89Å; R103-H106 WeakPolarHBondContact O-CB 3.41Å; R103-H106 PolarHBondContact O-N 3.04Å; R103-H106 VanDerWaalsContact O-N 3.16Å; W104-H106 PolarHBondContact O-N 3.28Å; H106-I109 PolarHBondContact O-N 3.32Å; H106-I110 WeakPolarHBondContact CE1-CD1 3.37Å; H106-I110 WeakPolarHBondContact O-CG1 3.34Å; H106-I110 PolarHBondContact O-N 3.3Å; H106-W136 AromaticContact CD2-CZ2 3.65Å; H106-T145 PolarHBondContact CE1-OG1 3.31Å; H106-T145 VanDerWaalsContact NE2-CG2 3.26Å; H106-T145 WeakPolarHBondContact NE2-CG2 3.32Å; H106-T145 PolarHBondContact NE2-OG1 2.76Å; H106-T145 VanDerWaalsContact NE2-OG1 3.08Å
107N89.1Confident90.7Very high117 Ų11743.1 Ų43.163%0.62620%0.201SC*.Hα-helixtrans-71.6-37.2-177-64.31.4000112.8Q105 I109 I110 E111Q105-N107 VanDerWaalsContact C-N 3.31Å; Q105-N107 PolarHBondContact O-N 3.36Å; Q105-N107 VanDerWaalsContact O-N 3.07Å; N107-I109 VanDerWaalsContact C-N 3.33Å; N107-I110 WeakPolarHBondContact O-CB 3.33Å; N107-I110 PolarHBondContact O-N 2.82Å; N107-E111 PolarHBondContact O-N 2.55Å
108C89.9Confident90.6Very high23 Ų2345 Ų4516%0.15521%0.209CC..Hα-helixtrans-67.6-37.1173.7-178.90000111F56 Q105 I110 E111 V112F56-C108 HydrophobicContact CE1-CB 3.96Å; F56-C108 HydrophobicContact CZ-CB 3.99Å; Q105-C108 PolarHBondContact O-N 3.49Å; C108-I110 VanDerWaalsContact C-N 3.34Å; C108-I110 PolarHBondContact O-N 2.85Å; C108-E111 PolarHBondContact O-N 3Å; C108-V112 WeakPolarHBondContact O-CG2 3.31Å; C108-V112 PolarHBondContact O-N 3.35Å; C108-V112 VanDerWaalsContact O-N 3.09Å
109I93.3Very high90.4Very high0 Ų049.2 Ų49.20%023%0.228CC..Hα-helixtrans-65.4-36.9174.6-61.4168.6000111.3F56 F89 Q105 H106 N107 V112 I113 W136F56-I109 HydrophobicContact CE2-CD1 4.21Å; F56-I109 HydrophobicContact CE2-CG1 3.85Å; F56-I109 HydrophobicContact CZ-CG1 3.94Å; F89-I109 HydrophobicContact CE2-CG1 4.48Å; F89-I109 HydrophobicContact CZ-CG2 4.09Å; Q105-I109 HydrophobicContact CB-CD1 4.25Å; Q105-I109 HydrophobicContact CB-CG1 4.43Å; Q105-I109 WeakPolarHBondContact O-CG1 3.42Å; Q105-I109 PolarHBondContact O-N 2.87Å; H106-I109 PolarHBondContact O-N 3.32Å; N107-I109 VanDerWaalsContact C-N 3.33Å; I109-V112 PolarHBondContact O-N 2.79Å; I109-I113 HydrophobicContact CG2-CG1 4.14Å; I109-I113 WeakPolarHBondContact O-CB 3.4Å; I109-I113 VanDerWaalsContact O-CG1 3.29Å; I109-I113 WeakPolarHBondContact O-CG1 3.5Å; I109-I113 PolarHBondContact O-N 2.69Å; I109-W136 HydrophobicContact CB-CZ2 4Å; I109-W136 HydrophobicContact CG2-CD2 3.55Å; I109-W136 HydrophobicContact CG2-CE3 4.12Å; I109-W136 HydrophobicContact CG2-CG 3.85Å; I109-W136 HydrophobicContact CG2-CH2 4.3Å; I109-W136 HydrophobicContact CG2-CZ2 3.73Å; I109-W136 HydrophobicContact CG2-CZ3 4.46Å
110I91.2Very high90Very high18 Ų1852.1 Ų52.19%0.09224%0.24CC..Hα-helixtrans-57.4-51.9171.6-74.4173.1000110.9H106 N107 C108 V112 I113 E114 W136 V147 I151H106-I110 WeakPolarHBondContact CE1-CD1 3.37Å; H106-I110 WeakPolarHBondContact O-CG1 3.34Å; H106-I110 PolarHBondContact O-N 3.3Å; N107-I110 WeakPolarHBondContact O-CB 3.33Å; N107-I110 PolarHBondContact O-N 2.82Å; C108-I110 VanDerWaalsContact C-N 3.34Å; C108-I110 PolarHBondContact O-N 2.85Å; I110-V112 PolarHBondContact O-N 3.29Å; I110-I113 PolarHBondContact O-N 2.89Å; I110-E114 HydrophobicContact CG2-CG 4.16Å; I110-E114 VanDerWaalsContact CG2-OE2 3.31Å; I110-E114 WeakPolarHBondContact CG2-OE2 3.45Å; I110-E114 WeakPolarHBondContact O-CB 3.44Å; I110-E114 WeakPolarHBondContact O-CG 3.46Å; I110-E114 PolarHBondContact O-N 3.11Å; I110-W136 HydrophobicContact CD1-CH2 4.34Å; I110-W136 HydrophobicContact CG1-CH2 3.56Å; I110-W136 HydrophobicContact CG1-CZ2 4.42Å; I110-W136 HydrophobicContact CG1-CZ3 4.27Å; I110-V147 HydrophobicContact CD1-CB 4.11Å; I110-V147 HydrophobicContact CD1-CG1 3.85Å; I110-V147 HydrophobicContact CG1-CG1 4.47Å; I110-V147 HydrophobicContact CG2-CG1 4.09Å; I110-I151 HydrophobicContact CG2-CD1 4.39Å
111E90.1Very high89.9Confident78 Ų7852.5 Ų52.536%0.36424%0.242SC..Hα-helixtrans-57.1-49.2179.6-73.4-174.6-13400111.7F64 N107 C108 I113 E114 D115 R205F64-E111 HydrophobicContact CE1-CB 4.46Å; F64-E111 HydrophobicContact CZ-CB 4.17Å; N107-E111 PolarHBondContact O-N 2.55Å; C108-E111 PolarHBondContact O-N 3Å; E111-I113 PolarHBondContact O-N 3.38Å; E111-E114 PolarHBondContact O-N 2.81Å; E111-D115 WeakPolarHBondContact O-CB 3.44Å; E111-D115 VanDerWaalsContact O-CG 3.22Å; E111-D115 PolarHBondContact O-N 3.43Å; E111-R205 IonicContact OE2-CZ 3.3Å; E111-R205 IonicContact OE2-NH1 2.63Å; E111-R205 PolarHBondContact OE2-NH1 2.95Å
112V91.4Very high89.8Confident0 Ų049.2 Ų49.20%023%0.227CC..Hα-helixtrans-56.5-46.9177.4169.50000112.3F59 F63 F64 F89 C108 I109 I110 L116F59-V112 HydrophobicContact CE1-CG2 3.99Å; F59-V112 HydrophobicContact CZ-CB 4.5Å; F59-V112 HydrophobicContact CZ-CG1 3.89Å; F59-V112 HydrophobicContact CZ-CG2 3.8Å; F63-V112 HydrophobicContact CD1-CG2 3.82Å; F63-V112 HydrophobicContact CE1-CB 4.2Å; F63-V112 HydrophobicContact CE1-CG1 4.26Å; F63-V112 HydrophobicContact CE1-CG2 3.88Å; F63-V112 HydrophobicContact CE2-CG1 4.15Å; F63-V112 HydrophobicContact CG-CG2 4.36Å; F63-V112 HydrophobicContact CZ-CB 4.37Å; F63-V112 HydrophobicContact CZ-CG1 4Å; F63-V112 HydrophobicContact CZ-CG2 4.45Å; F64-V112 HydrophobicContact CE1-CG2 4.43Å; F64-V112 HydrophobicContact CZ-CG2 4.07Å; F89-V112 HydrophobicContact CD1-CG1 4.27Å; F89-V112 HydrophobicContact CE1-CG1 3.82Å; F89-V112 HydrophobicContact CE2-CG1 4.15Å; F89-V112 HydrophobicContact CZ-CG1 3.76Å; C108-V112 WeakPolarHBondContact O-CG2 3.31Å; C108-V112 PolarHBondContact O-N 3.35Å; C108-V112 VanDerWaalsContact O-N 3.09Å; I109-V112 PolarHBondContact O-N 2.79Å; I110-V112 PolarHBondContact O-N 3.29Å; V112-L116 HydrophobicContact CG1-CD1 4.04Å; V112-L116 WeakPolarHBondContact O-CB 3.43Å; V112-L116 WeakPolarHBondContact O-CD1 3.32Å; V112-L116 VanDerWaalsContact O-CG 3.27Å; V112-L116 WeakPolarHBondContact O-CG 3.41Å; V112-L116 PolarHBondContact O-N 2.87Å; V112-L116 VanDerWaalsContact O-N 3.08Å
113I94Very high89.6Confident0 Ų042.9 Ų42.90%020%0.198CC..Hα-helixtrans-67.7-43.2-179.6-72.8-60.6000111.2F89 I109 I110 E111 L116 L117 L132 F133 W136 I151F89-I113 HydrophobicContact CE1-CD1 4.04Å; F89-I113 HydrophobicContact CZ-CD1 4.32Å; I109-I113 HydrophobicContact CG2-CG1 4.14Å; I109-I113 WeakPolarHBondContact O-CB 3.4Å; I109-I113 VanDerWaalsContact O-CG1 3.29Å; I109-I113 WeakPolarHBondContact O-CG1 3.5Å; I109-I113 PolarHBondContact O-N 2.69Å; I110-I113 PolarHBondContact O-N 2.89Å; E111-I113 PolarHBondContact O-N 3.38Å; I113-L116 PolarHBondContact O-N 3Å; I113-L117 HydrophobicContact CG2-CD1 3.65Å; I113-L117 HydrophobicContact CG2-CG 4.41Å; I113-L117 WeakPolarHBondContact O-CB 3.43Å; I113-L117 WeakPolarHBondContact O-CG 3.3Å; I113-L117 PolarHBondContact O-N 3.29Å; I113-L132 HydrophobicContact CD1-CB 4.09Å; I113-F133 HydrophobicContact CD1-CB 4.11Å; I113-F133 HydrophobicContact CG2-CB 3.98Å; I113-F133 HydrophobicContact CG2-CD2 3.71Å; I113-F133 HydrophobicContact CG2-CG 4.13Å; I113-W136 HydrophobicContact CG1-CE3 4.43Å; I113-I151 HydrophobicContact CG2-CG2 4.07Å
114E92Very high89.3Confident43 Ų4340.6 Ų40.620%0.20120%0.198CC..Hα-helixtrans-68.5-35179.4-73.2-163.586.100112.7I110 E111 Y118 I151 R207I110-E114 HydrophobicContact CG2-CG 4.16Å; I110-E114 VanDerWaalsContact CG2-OE2 3.31Å; I110-E114 WeakPolarHBondContact CG2-OE2 3.45Å; I110-E114 WeakPolarHBondContact O-CB 3.44Å; I110-E114 WeakPolarHBondContact O-CG 3.46Å; I110-E114 PolarHBondContact O-N 3.11Å; E111-E114 PolarHBondContact O-N 2.81Å; E114-Y118 PolarHBondContact O-N 2.76Å; E114-Y118 VanDerWaalsContact O-N 3.14Å; E114-I151 HydrophobicContact CG-CD1 3.79Å; E114-I151 HydrophobicContact CG-CG1 4.18Å; E114-R207 IonicContact OE1-CZ 3.09Å; E114-R207 IonicContact OE1-NH1 3.44Å; E114-R207 PolarHBondContact OE1-NH1 3.44Å; E114-R207 IonicContact OE1-NH2 3.23Å; E114-R207 PolarHBondContact OE1-NH2 2.92Å; E114-R207 VanDerWaalsContact OE1-NH2 3.15Å; E114-R207 IonicContact OE2-CZ 2.85Å; E114-R207 IonicContact OE2-NH1 2.71Å; E114-R207 IonicContact OE2-NH2 3.42Å; E114-R207 PolarHBondContact OE2-NH2 2.9Å
115D90.3Very high89.1Confident8 Ų839.1 Ų39.14%0.04319%0.194CC..Hα-helixtrans-68.6-34.3173.7-71-14.3000111.6F63 E111 Y118 N121 R207 L210F63-D115 HydrophobicContact CE1-CB 4.36Å; F63-D115 HydrophobicContact CZ-CB 4.31Å; E111-D115 WeakPolarHBondContact O-CB 3.44Å; E111-D115 VanDerWaalsContact O-CG 3.22Å; E111-D115 PolarHBondContact O-N 3.43Å; D115-Y118 WeakPolarHBondContact O-CB 3.15Å; D115-N121 PolarHBondContact O-ND2 3.36Å; D115-R207 WeakPolarHBondContact OD1-CD 3.48Å; D115-R207 WeakPolarHBondContact OD1-CG 3.21Å; D115-R207 IonicContact OD1-NE 3.66Å; D115-R207 PolarHBondContact OD1-NE 2.69Å; D115-R207 VanDerWaalsContact OD1-NE 3.12Å; D115-L210 HydrophobicContact CB-CD1 4.42Å
116L92.3Very high89.2Confident0 Ų036.5 Ų36.50%018%0.18CC..Hα-helixtrans-72-38.3174-75.9167.4000113.2F63 L86 V112 I113 Y118 N121 I125 L132 L210F63-L116 HydrophobicContact CE2-CD2 4.42Å; F63-L116 HydrophobicContact CE2-CG 4.34Å; F63-L116 HydrophobicContact CZ-CG 4.31Å; L86-L116 HydrophobicContact CD1-CD2 3.9Å; L86-L116 HydrophobicContact CD2-CD1 3.84Å; L86-L116 HydrophobicContact CD2-CD2 3.96Å; L86-L116 HydrophobicContact CD2-CG 4.48Å; V112-L116 HydrophobicContact CG1-CD1 4.04Å; V112-L116 WeakPolarHBondContact O-CB 3.43Å; V112-L116 WeakPolarHBondContact O-CD1 3.32Å; V112-L116 VanDerWaalsContact O-CG 3.27Å; V112-L116 WeakPolarHBondContact O-CG 3.41Å; V112-L116 PolarHBondContact O-N 2.87Å; V112-L116 VanDerWaalsContact O-N 3.08Å; I113-L116 PolarHBondContact O-N 3Å; L116-Y118 VanDerWaalsContact C-N 3.33Å; L116-N121 PolarHBondContact O-ND2 3.34Å; L116-I125 HydrophobicContact CD2-CG2 3.89Å; L116-L132 HydrophobicContact CD1-CD1 4.04Å; L116-L210 HydrophobicContact CD2-CD1 3.84Å; L116-L210 HydrophobicContact CG-CD1 4.27Å
117L91.8Very high89.2Confident24 Ų2439 Ų3913%0.12619%0.191CC..Hα-helixtrans-80.2-12.4-179-71.8171.8000113.9I113 E119 R126 I130 I151 L155I113-L117 HydrophobicContact CG2-CD1 3.65Å; I113-L117 HydrophobicContact CG2-CG 4.41Å; I113-L117 WeakPolarHBondContact O-CB 3.43Å; I113-L117 WeakPolarHBondContact O-CG 3.3Å; I113-L117 PolarHBondContact O-N 3.29Å; L117-E119 PolarHBondContact O-N 2.71Å; L117-R126 PolarHBondContact O-NE 3.36Å; L117-I130 HydrophobicContact CD2-CG1 3.73Å; L117-I151 HydrophobicContact CD1-CG2 3.55Å; L117-L155 HydrophobicContact CD1-CD2 3.65Å; L117-L155 HydrophobicContact CD2-CD2 4.02Å
118Y89.4Confident89.2Confident39 Ų3936.5 Ų36.515%0.15317%0.173CC..  trans-46.9133.2-177.8-177.2-145.1000113E114 D115 L116 K120 N121 R126 R207E114-Y118 PolarHBondContact O-N 2.76Å; E114-Y118 VanDerWaalsContact O-N 3.14Å; D115-Y118 WeakPolarHBondContact O-CB 3.15Å; L116-Y118 VanDerWaalsContact C-N 3.33Å; Y118-K120 HydrophobicContact CD1-CB 4.26Å; Y118-K120 HydrophobicContact CE1-CB 4.01Å; Y118-K120 HydrophobicContact CE1-CD 4.03Å; Y118-K120 HydrophobicContact CE1-CG 4.2Å; Y118-K120 HydrophobicContact CE2-CD 4.38Å; Y118-K120 HydrophobicContact CE2-CG 4.33Å; Y118-K120 PolarHBondContact O-N 3.47Å; Y118-K120 VanDerWaalsContact O-N 3.08Å; Y118-K120 WeakPolarHBondContact OH-CD 3.2Å; Y118-K120 WeakPolarHBondContact OH-CE 3.39Å; Y118-K120 PolarHBondContact OH-NZ 2.77Å; Y118-N121 WeakPolarHBondContact O-CB 3.38Å; Y118-N121 PolarHBondContact O-N 2.94Å; Y118-R126 WeakPolarHBondContact O-CD 3.34Å; Y118-R207 HydrophobicContact CD1-CB 4.01Å; Y118-R207 HydrophobicContact CD2-CB 4.4Å; Y118-R207 HydrophobicContact CE1-CB 3.84Å; Y118-R207 WeakPolarHBondContact CE1-O 3.28Å; Y118-R207 HydrophobicContact CE2-CB 4.28Å; Y118-R207 HydrophobicContact CG-CB 4.27Å; Y118-R207 PolarHBondContact OH-O 3.22Å
119E82.6Confident89.4Confident134 Ų13435.4 Ų35.463%0.62617%0.165SC*.THydrogen-bonded Turntrans-57.3-28.4-169.670.4-168173.300114.8L117 N121L117-E119 PolarHBondContact O-N 2.71Å; E119-N121 VanDerWaalsContact C-N 3.33Å
120K82.6Confident89.5Confident118 Ų11835.4 Ų35.451%0.51317%0.165SC..THydrogen-bonded Turntrans-84.4-4.8-178-57.5-178.7-170.7153.10113.6Y118 A209Y118-K120 HydrophobicContact CD1-CB 4.26Å; Y118-K120 HydrophobicContact CE1-CB 4.01Å; Y118-K120 HydrophobicContact CE1-CD 4.03Å; Y118-K120 HydrophobicContact CE1-CG 4.2Å; Y118-K120 HydrophobicContact CE2-CD 4.38Å; Y118-K120 HydrophobicContact CE2-CG 4.33Å; Y118-K120 PolarHBondContact O-N 3.47Å; Y118-K120 VanDerWaalsContact O-N 3.08Å; Y118-K120 WeakPolarHBondContact OH-CD 3.2Å; Y118-K120 WeakPolarHBondContact OH-CE 3.39Å; Y118-K120 PolarHBondContact OH-NZ 2.77Å; K120-A209 HydrophobicContact CB-CB 3.95Å; K120-A209 WeakPolarHBondContact O-CB 3.09Å
121N87.8Confident89.6Confident9 Ų935.7 Ų35.75%0.04817%0.165CC..SBendtrans-74.9150.1172.7-70.8-18.6000111.4D115 L116 Y118 E119 I125 R126 A209 L210 L211D115-N121 PolarHBondContact O-ND2 3.36Å; L116-N121 PolarHBondContact O-ND2 3.34Å; Y118-N121 WeakPolarHBondContact O-CB 3.38Å; Y118-N121 PolarHBondContact O-N 2.94Å; E119-N121 VanDerWaalsContact C-N 3.33Å; N121-I125 HydrophobicContact CB-CB 4.28Å; N121-I125 HydrophobicContact CB-CG2 4.12Å; N121-R126 HydrophobicContact CB-CG 3.8Å; N121-R126 WeakPolarHBondContact O-CD 3.21Å; N121-A209 VanDerWaalsContact OD1-CA 3.27Å; N121-A209 WeakPolarHBondContact OD1-CA 3.18Å; N121-L210 PolarHBondContact OD1-N 2.79Å; N121-L211 CarbonylContact C-O 3.55Å; N121-L211 WeakPolarHBondContact CA-O 3.46Å
122A86.1Confident89.9Confident1 Ų132 Ų321%0.00815%0.148CC..  trans-50.9149.1167.400000112.5T124 I125 R126 L211 L216A122-T124 VanDerWaalsContact C-N 3.33Å; A122-T124 PolarHBondContact O-N 3.32Å; A122-I125 HydrophobicContact CB-CG1 4.25Å; A122-I125 WeakPolarHBondContact O-CB 3.5Å; A122-I125 PolarHBondContact O-N 3.21Å; A122-I125 VanDerWaalsContact O-N 3.09Å; A122-R126 PolarHBondContact O-N 2.88Å; A122-L211 PolarHBondContact N-O 3.12Å; A122-L216 HydrophobicContact CB-CD1 3.39Å
123L85.2Confident90.1Very high24 Ų2432 Ų3213%0.12615%0.148CC..Hα-helixtrans-65.2-36.7-173-165.963000111.6I125 R126 K127 E218 K225 V228 L229L123-I125 PolarHBondContact O-N 3.2Å; L123-R126 PolarHBondContact O-N 3.45Å; L123-K127 WeakPolarHBondContact O-CB 3.21Å; L123-K127 VanDerWaalsContact O-CG 3.3Å; L123-K127 WeakPolarHBondContact O-CG 3.29Å; L123-K127 PolarHBondContact O-N 2.86Å; L123-E218 WeakPolarHBondContact CB-OE2 3.22Å; L123-E218 PolarHBondContact N-OE1 2.63Å; L123-E218 PolarHBondContact N-OE2 3.19Å; L123-K225 HydrophobicContact CD1-CB 4.47Å; L123-V228 HydrophobicContact CD2-CB 4.23Å; L123-V228 HydrophobicContact CD2-CG1 3.72Å; L123-V228 HydrophobicContact CG-CG1 4.42Å; L123-L229 HydrophobicContact CD1-CD1 4.39Å; L123-L229 HydrophobicContact CD1-CD2 3.86Å; L123-L229 HydrophobicContact CD1-CG 3.97Å
124T84.1Confident90.1Very high74 Ų7432 Ų3245%0.45415%0.148SC..Hα-helixtrans-59.2-42.6171.447.80000112.8A122 K127 R128 E218A122-T124 VanDerWaalsContact C-N 3.33Å; A122-T124 PolarHBondContact O-N 3.32Å; T124-K127 PolarHBondContact O-N 2.83Å; T124-R128 WeakPolarHBondContact O-CB 3.42Å; T124-R128 PolarHBondContact O-N 3.23Å; T124-E218 VanDerWaalsContact CB-OE1 3.22Å; T124-E218 WeakPolarHBondContact CB-OE1 3.06Å; T124-E218 WeakPolarHBondContact CG2-OE1 3.21Å; T124-E218 PolarHBondContact N-OE1 2.98Å; T124-E218 PolarHBondContact OG1-OE1 3.32Å
125I87.3Confident90.2Very high17 Ų1729.9 Ų29.99%0.08714%0.138CC..Hα-helixtrans-66.4-41.1176.8-59.4-58.7000110.6L82 L116 N121 A122 L123 R128 G129 L211 L216L82-I125 HydrophobicContact CD2-CD1 3.95Å; L116-I125 HydrophobicContact CD2-CG2 3.89Å; N121-I125 HydrophobicContact CB-CB 4.28Å; N121-I125 HydrophobicContact CB-CG2 4.12Å; A122-I125 HydrophobicContact CB-CG1 4.25Å; A122-I125 WeakPolarHBondContact O-CB 3.5Å; A122-I125 PolarHBondContact O-N 3.21Å; A122-I125 VanDerWaalsContact O-N 3.09Å; L123-I125 PolarHBondContact O-N 3.2Å; I125-R128 WeakPolarHBondContact O-CB 3.34Å; I125-R128 PolarHBondContact O-N 2.94Å; I125-G129 PolarHBondContact O-N 2.9Å; I125-L211 HydrophobicContact CD1-CD1 4.24Å; I125-L211 HydrophobicContact CG1-CB 4.36Å; I125-L211 HydrophobicContact CG1-CD1 4.45Å; I125-L216 HydrophobicContact CD1-CD1 4.45Å; I125-L216 HydrophobicContact CG1-CD1 3.98Å
126R91.9Very high90.4Very high23 Ų2329.6 Ų29.69%0.08714%0.136CC..Hα-helixtrans-67.2-40.1176.2-63.7-175.268.8-142.1-14.3112.3L117 Y118 N121 A122 L123 R128 G129 I130 P157 L229L117-R126 PolarHBondContact O-NE 3.36Å; Y118-R126 WeakPolarHBondContact O-CD 3.34Å; N121-R126 HydrophobicContact CB-CG 3.8Å; N121-R126 WeakPolarHBondContact O-CD 3.21Å; A122-R126 PolarHBondContact O-N 2.88Å; L123-R126 PolarHBondContact O-N 3.45Å; R126-R128 PolarHBondContact O-N 3.49Å; R126-G129 PolarHBondContact O-N 3.19Å; R126-I130 WeakPolarHBondContact O-CG1 3.37Å; R126-I130 PolarHBondContact O-N 2.98Å; R126-P157 VanDerWaalsContact NH2-CG 3.28Å; R126-L229 HydrophobicContact CB-CD2 4.18Å
127K91.1Very high90.5Very high68 Ų6829.6 Ų29.630%0.29614%0.136SC..Hα-helixtrans-58-45.3169.6-72.8-173.5-179.5-169.90111.9L123 T124 G129 I130 R131 V228 S232 F236L123-K127 WeakPolarHBondContact O-CB 3.21Å; L123-K127 VanDerWaalsContact O-CG 3.3Å; L123-K127 WeakPolarHBondContact O-CG 3.29Å; L123-K127 PolarHBondContact O-N 2.86Å; T124-K127 PolarHBondContact O-N 2.83Å; K127-G129 VanDerWaalsContact C-N 3.32Å; K127-G129 PolarHBondContact O-N 2.87Å; K127-I130 PolarHBondContact O-N 2.84Å; K127-R131 PolarHBondContact O-N 2.62Å; K127-V228 VanDerWaalsContact NZ-CG1 3.33Å; K127-S232 WeakPolarHBondContact CD-OG 3.4Å; K127-S232 VanDerWaalsContact CE-OG 3.24Å; K127-S232 WeakPolarHBondContact CE-OG 3.43Å; K127-S232 WeakPolarHBondContact CG-OG 3.39Å; K127-F236 HydrophobicContact CB-CE2 4.5Å; K127-F236 WeakPolarHBondContact O-CE2 3.33Å
128R89.6Confident90.5Very high65 Ų6528.5 Ų28.525%0.24513%0.131CC..Hα-helixtrans-63.1-38.6176.3-174.269.9179.2177.910111.4L86 E90 T124 I125 R126 R131 L132L86-R128 HydrophobicContact CD1-CG 4.2Å; L86-R128 PolarHBondContact O-NH2 3.43Å; E90-R128 IonicContact OE2-CZ 2.81Å; E90-R128 VanDerWaalsContact OE2-CZ 3.31Å; E90-R128 IonicContact OE2-NH1 2.69Å; E90-R128 PolarHBondContact OE2-NH1 2.93Å; E90-R128 IonicContact OE2-NH2 3.16Å; E90-R128 PolarHBondContact OE2-NH2 2.92Å; T124-R128 WeakPolarHBondContact O-CB 3.42Å; T124-R128 PolarHBondContact O-N 3.23Å; I125-R128 WeakPolarHBondContact O-CB 3.34Å; I125-R128 PolarHBondContact O-N 2.94Å; R126-R128 PolarHBondContact O-N 3.49Å; R128-R131 PolarHBondContact O-N 2.95Å; R128-L132 HydrophobicContact CG-CD1 4.02Å; R128-L132 WeakPolarHBondContact O-CB 3.43Å; R128-L132 WeakPolarHBondContact O-CD1 3.32Å; R128-L132 VanDerWaalsContact O-CG 3.28Å; R128-L132 WeakPolarHBondContact O-CG 3.36Å; R128-L132 PolarHBondContact O-N 3.49Å
129G93.4Very high90.6Very high0 Ų026.7 Ų26.70%012%0.124CC..Hα-helixtrans-61.2-46.8171.800000113I125 R126 K127 R131 L132 F133I125-G129 PolarHBondContact O-N 2.9Å; R126-G129 PolarHBondContact O-N 3.19Å; K127-G129 VanDerWaalsContact C-N 3.32Å; K127-G129 PolarHBondContact O-N 2.87Å; G129-R131 PolarHBondContact O-N 2.93Å; G129-L132 PolarHBondContact O-N 2.94Å; G129-F133 VanDerWaalsContact O-CB 3.25Å; G129-F133 WeakPolarHBondContact O-CB 3.35Å; G129-F133 PolarHBondContact O-N 3.09Å
130I94.5Very high91.1Very high0 Ų020.3 Ų20.30%09%0.094CC..Hα-helixtrans-57.4-48.6174.4-69.4175.7000110.4L117 R126 K127 F133 L134 L155 L229 L233 F236L117-I130 HydrophobicContact CD2-CG1 3.73Å; R126-I130 WeakPolarHBondContact O-CG1 3.37Å; R126-I130 PolarHBondContact O-N 2.98Å; K127-I130 PolarHBondContact O-N 2.84Å; I130-F133 PolarHBondContact O-N 3.48Å; I130-L134 HydrophobicContact CG2-CD1 3.71Å; I130-L134 HydrophobicContact CG2-CG 4.41Å; I130-L134 WeakPolarHBondContact O-CG 3.49Å; I130-L134 PolarHBondContact O-N 3.09Å; I130-L155 HydrophobicContact CD1-CB 4.25Å; I130-L155 HydrophobicContact CG1-CB 4.19Å; I130-L155 HydrophobicContact CG1-CD2 4.19Å; I130-L229 HydrophobicContact CD1-CB 4.19Å; I130-L229 HydrophobicContact CD1-CD2 3.65Å; I130-L229 HydrophobicContact CD1-CG 4.49Å; I130-L233 HydrophobicContact CG2-CB 4.34Å; I130-F236 HydrophobicContact CG2-CD2 4.24Å
131R94.7Very high91.4Very high24 Ų2415.2 Ų15.29%0.0917%0.074CC..Hα-helixtrans-56.5-52.7178.5-171.8-176.4175.2-109.2-21.7112.2E90 K127 R128 G129 F133 L134 I135 F236 E240E90-R131 IonicContact OE1-CZ 2.71Å; E90-R131 IonicContact OE1-NH1 2.62Å; E90-R131 PolarHBondContact OE1-NH1 3.09Å; E90-R131 IonicContact OE1-NH2 3.22Å; E90-R131 PolarHBondContact OE1-NH2 3.36Å; E90-R131 IonicContact OE2-CZ 2.87Å; E90-R131 IonicContact OE2-NH1 2.67Å; E90-R131 PolarHBondContact OE2-NH1 3.34Å; K127-R131 PolarHBondContact O-N 2.62Å; R128-R131 PolarHBondContact O-N 2.95Å; G129-R131 PolarHBondContact O-N 2.93Å; R131-F133 PolarHBondContact O-N 3.49Å; R131-L134 PolarHBondContact O-N 3.19Å; R131-I135 HydrophobicContact CG-CD1 4.44Å; R131-I135 WeakPolarHBondContact O-CG1 3.38Å; R131-I135 PolarHBondContact O-N 3.49Å; R131-I135 VanDerWaalsContact O-N 3.17Å; R131-F236 HydrophobicContact CB-CD1 4.05Å; R131-F236 HydrophobicContact CB-CD2 3.68Å; R131-F236 HydrophobicContact CB-CE1 4.17Å; R131-F236 HydrophobicContact CB-CE2 3.81Å; R131-F236 HydrophobicContact CB-CG 3.84Å; R131-F236 HydrophobicContact CB-CZ 4.06Å; R131-F236 HydrophobicContact CG-CB 4.49Å; R131-F236 HydrophobicContact CG-CD1 3.67Å; R131-F236 HydrophobicContact CG-CD2 4.23Å; R131-F236 HydrophobicContact CG-CE1 3.88Å; R131-F236 HydrophobicContact CG-CE2 4.42Å; R131-F236 HydrophobicContact CG-CG 3.88Å; R131-F236 HydrophobicContact CG-CZ 4.26Å; R131-E240 HydrophobicContact CG-CG 3.78Å; R131-E240 IonicContact CZ-OE1 3.97Å; R131-E240 IonicContact CZ-OE2 2.79Å; R131-E240 VanDerWaalsContact CZ-OE2 3.27Å; R131-E240 IonicContact NE-OE1 2.75Å; R131-E240 PolarHBondContact NE-OE1 2.92Å; R131-E240 IonicContact NE-OE2 3.1Å; R131-E240 PolarHBondContact NE-OE2 2.97Å; R131-E240 VanDerWaalsContact NE-OE2 3.14Å; R131-E240 IonicContact NH2-OE1 2.79Å; R131-E240 PolarHBondContact NH2-OE1 3.45Å; R131-E240 IonicContact NH2-OE2 2.83Å; R131-E240 PolarHBondContact NH2-OE2 3.48Å
132L95.2Very high91.2Very high0 Ų021.4 Ų21.40%011%0.107CC..Hα-helixtrans-64.7-38.8-179.8-69.5164000111.9L86 F89 E90 L93 I113 L116 R128 G129 I135 W136L86-L132 HydrophobicContact CD2-CD1 4.24Å; F89-L132 HydrophobicContact CD1-CD1 3.98Å; F89-L132 HydrophobicContact CD1-CD2 4.02Å; F89-L132 HydrophobicContact CD1-CG 4.42Å; F89-L132 HydrophobicContact CE1-CB 4.22Å; F89-L132 HydrophobicContact CE1-CD1 4.31Å; F89-L132 HydrophobicContact CE1-CD2 4.42Å; E90-L132 HydrophobicContact CB-CD2 3.92Å; E90-L132 HydrophobicContact CG-CD2 4.46Å; L93-L132 HydrophobicContact CD1-CB 4.26Å; L93-L132 HydrophobicContact CD1-CD2 4.07Å; L93-L132 WeakPolarHBondContact CD1-O 3.17Å; I113-L132 HydrophobicContact CD1-CB 4.09Å; L116-L132 HydrophobicContact CD1-CD1 4.04Å; R128-L132 HydrophobicContact CG-CD1 4.02Å; R128-L132 WeakPolarHBondContact O-CB 3.43Å; R128-L132 WeakPolarHBondContact O-CD1 3.32Å; R128-L132 VanDerWaalsContact O-CG 3.28Å; R128-L132 WeakPolarHBondContact O-CG 3.36Å; R128-L132 PolarHBondContact O-N 3.49Å; G129-L132 PolarHBondContact O-N 2.94Å; L132-I135 PolarHBondContact O-N 3.04Å; L132-W136 PolarHBondContact O-N 2.83Å; L132-W136 VanDerWaalsContact O-N 3.09Å
133F95.9Very high91.2Very high0 Ų024.2 Ų24.20%012%0.122CC..Hα-helixtrans-62.9-44.7175.2173.9-109000112I113 G129 I130 R131 I135 W136 Y137 C148 I151 F152 L155I113-F133 HydrophobicContact CD1-CB 4.11Å; I113-F133 HydrophobicContact CG2-CB 3.98Å; I113-F133 HydrophobicContact CG2-CD2 3.71Å; I113-F133 HydrophobicContact CG2-CG 4.13Å; G129-F133 VanDerWaalsContact O-CB 3.25Å; G129-F133 WeakPolarHBondContact O-CB 3.35Å; G129-F133 PolarHBondContact O-N 3.09Å; I130-F133 PolarHBondContact O-N 3.48Å; R131-F133 PolarHBondContact O-N 3.49Å; F133-I135 PolarHBondContact O-N 3.22Å; F133-W136 AromaticContact CD2-CE3 3.82Å; F133-W136 HydrophobicContact CD2-CE3 3.82Å; F133-W136 HydrophobicContact CD2-CZ3 4.2Å; F133-W136 AromaticContact CE2-CE3 3.91Å; F133-W136 HydrophobicContact CE2-CE3 3.91Å; F133-W136 AromaticContact CE2-CZ3 3.98Å; F133-W136 HydrophobicContact CE2-CZ3 3.98Å; F133-W136 PolarHBondContact O-N 3Å; F133-Y137 HydrophobicContact CE1-CD1 4.1Å; F133-Y137 HydrophobicContact CE1-CG 4.05Å; F133-Y137 HydrophobicContact CE2-CD2 4.34Å; F133-Y137 HydrophobicContact CE2-CG 4.3Å; F133-Y137 HydrophobicContact CZ-CD1 4.15Å; F133-Y137 AromaticContact CZ-CD2 3.84Å; F133-Y137 HydrophobicContact CZ-CD2 3.84Å; F133-Y137 HydrophobicContact CZ-CE2 4.37Å; F133-Y137 AromaticContact CZ-CG 3.7Å; F133-Y137 HydrophobicContact CZ-CG 3.7Å; F133-Y137 WeakPolarHBondContact O-CB 3.23Å; F133-Y137 PolarHBondContact O-N 2.9Å; F133-C148 WeakPolarHBondContact CZ-O 3.29Å; F133-I151 HydrophobicContact CD1-CG2 4.28Å; F133-I151 HydrophobicContact CD2-CG2 3.82Å; F133-I151 HydrophobicContact CE1-CG2 4.12Å; F133-I151 HydrophobicContact CE2-CB 4.04Å; F133-I151 HydrophobicContact CE2-CG2 3.64Å; F133-I151 HydrophobicContact CG-CG2 4.13Å; F133-I151 HydrophobicContact CZ-CB 4.07Å; F133-I151 HydrophobicContact CZ-CG2 3.81Å; F133-F152 HydrophobicContact CE1-CB 3.75Å; F133-F152 HydrophobicContact CE1-CD2 4.06Å; F133-F152 HydrophobicContact CE1-CG 4.42Å; F133-F152 HydrophobicContact CZ-CB 3.93Å; F133-L155 HydrophobicContact CD1-CD1 3.84Å; F133-L155 HydrophobicContact CD1-CD2 3.63Å; F133-L155 HydrophobicContact CD1-CG 4.29Å; F133-L155 HydrophobicContact CE1-CD1 3.98Å; F133-L155 HydrophobicContact CE1-CD2 4.1Å; F133-L155 HydrophobicContact CE1-CG 4.43Å; F133-L155 HydrophobicContact CG-CD2 4.32Å
134L95Very high91.4Very high0 Ų023.5 Ų23.50%012%0.119CC..Hα-helixtrans-64.4-39.7179.9-70.7165.5000111.9I130 R131 Y137 Q138 F152 L233 F236 L261I130-L134 HydrophobicContact CG2-CD1 3.71Å; I130-L134 HydrophobicContact CG2-CG 4.41Å; I130-L134 WeakPolarHBondContact O-CG 3.49Å; I130-L134 PolarHBondContact O-N 3.09Å; R131-L134 PolarHBondContact O-N 3.19Å; L134-Y137 PolarHBondContact O-N 3.17Å; L134-Q138 WeakPolarHBondContact O-CG 3.26Å; L134-Q138 PolarHBondContact O-N 3.16Å; L134-F152 HydrophobicContact CD2-CD2 4.36Å; L134-F152 HydrophobicContact CD2-CE2 4.18Å; L134-L233 HydrophobicContact CD1-CD1 3.92Å; L134-L233 HydrophobicContact CD2-CD1 4.05Å; L134-F236 HydrophobicContact CD1-CB 3.67Å; L134-L261 HydrophobicContact CD2-CD2 4.13Å
135I93.2Very high91.7Very high0 Ų021.1 Ų21.10%011%0.105CC..Hα-helixtrans-56-51.4170.9-64.6162.8000110.5L93 L94 R131 L132 F133 Q138 I139 E240 I244L93-I135 HydrophobicContact CB-CG2 3.76Å; L93-I135 HydrophobicContact CD1-CB 4.46Å; L93-I135 HydrophobicContact CD1-CG2 4.36Å; L94-I135 HydrophobicContact CD2-CD1 4.16Å; L94-I135 HydrophobicContact CD2-CG1 4.33Å; L94-I135 HydrophobicContact CD2-CG2 3.54Å; L94-I135 HydrophobicContact CG-CG2 4.47Å; R131-I135 HydrophobicContact CG-CD1 4.44Å; R131-I135 WeakPolarHBondContact O-CG1 3.38Å; R131-I135 PolarHBondContact O-N 3.49Å; R131-I135 VanDerWaalsContact O-N 3.17Å; L132-I135 PolarHBondContact O-N 3.04Å; F133-I135 PolarHBondContact O-N 3.22Å; I135-Q138 WeakPolarHBondContact O-CG 3.44Å; I135-I139 HydrophobicContact CG2-CD1 4.17Å; I135-I139 WeakPolarHBondContact O-CD1 3.44Å; I135-I139 VanDerWaalsContact O-CG1 3.27Å; I135-I139 WeakPolarHBondContact O-CG1 3.33Å; I135-I139 PolarHBondContact O-N 2.94Å; I135-E240 HydrophobicContact CD1-CG 4.47Å; I135-E240 HydrophobicContact CG1-CB 3.79Å; I135-E240 HydrophobicContact CG1-CG 4.14Å; I135-I244 HydrophobicContact CG2-CG1 4.28Å
136W94.5Very high91.6Very high1 Ų124.9 Ų24.90%0.00413%0.132CC..Hα-helixtrans-65.7-42.1-179.4179.861.4000112.9L93 H106 I109 I110 I113 L132 F133 I139 L140 C148L93-W136 HydrophobicContact CD1-CB 4.2Å; L93-W136 HydrophobicContact CD2-CB 3.92Å; L93-W136 HydrophobicContact CD2-CG 4.12Å; H106-W136 AromaticContact CD2-CZ2 3.65Å; I109-W136 HydrophobicContact CB-CZ2 4Å; I109-W136 HydrophobicContact CG2-CD2 3.55Å; I109-W136 HydrophobicContact CG2-CE3 4.12Å; I109-W136 HydrophobicContact CG2-CG 3.85Å; I109-W136 HydrophobicContact CG2-CH2 4.3Å; I109-W136 HydrophobicContact CG2-CZ2 3.73Å; I109-W136 HydrophobicContact CG2-CZ3 4.46Å; I110-W136 HydrophobicContact CD1-CH2 4.34Å; I110-W136 HydrophobicContact CG1-CH2 3.56Å; I110-W136 HydrophobicContact CG1-CZ2 4.42Å; I110-W136 HydrophobicContact CG1-CZ3 4.27Å; I113-W136 HydrophobicContact CG1-CE3 4.43Å; L132-W136 PolarHBondContact O-N 2.83Å; L132-W136 VanDerWaalsContact O-N 3.09Å; F133-W136 AromaticContact CD2-CE3 3.82Å; F133-W136 HydrophobicContact CD2-CE3 3.82Å; F133-W136 HydrophobicContact CD2-CZ3 4.2Å; F133-W136 AromaticContact CE2-CE3 3.91Å; F133-W136 HydrophobicContact CE2-CE3 3.91Å; F133-W136 AromaticContact CE2-CZ3 3.98Å; F133-W136 HydrophobicContact CE2-CZ3 3.98Å; F133-W136 PolarHBondContact O-N 3Å; W136-I139 PolarHBondContact O-N 3.45Å; W136-L140 HydrophobicContact CD2-CD1 3.89Å; W136-L140 HydrophobicContact CE3-CD1 4.2Å; W136-L140 HydrophobicContact CH2-CD1 3.94Å; W136-L140 HydrophobicContact CZ2-CD1 3.62Å; W136-L140 HydrophobicContact CZ3-CD1 4.23Å; W136-L140 PolarHBondContact O-N 3.15Å; W136-L140 VanDerWaalsContact O-N 3.08Å; W136-C148 WeakPolarHBondContact CH2-SG 3.33Å
137Y95Very high91.5Very high0 Ų025.4 Ų25.40%014%0.138CC..Hα-helixtrans-68.5-37.7-175.3-175.7-128.9000112.5F133 L134 L140 G141 A144 C148 H149 F152 F260 L261 K264F133-Y137 HydrophobicContact CE1-CD1 4.1Å; F133-Y137 HydrophobicContact CE1-CG 4.05Å; F133-Y137 HydrophobicContact CE2-CD2 4.34Å; F133-Y137 HydrophobicContact CE2-CG 4.3Å; F133-Y137 HydrophobicContact CZ-CD1 4.15Å; F133-Y137 AromaticContact CZ-CD2 3.84Å; F133-Y137 HydrophobicContact CZ-CD2 3.84Å; F133-Y137 HydrophobicContact CZ-CE2 4.37Å; F133-Y137 AromaticContact CZ-CG 3.7Å; F133-Y137 HydrophobicContact CZ-CG 3.7Å; F133-Y137 WeakPolarHBondContact O-CB 3.23Å; F133-Y137 PolarHBondContact O-N 2.9Å; L134-Y137 PolarHBondContact O-N 3.17Å; Y137-L140 PolarHBondContact O-N 3.11Å; Y137-G141 PolarHBondContact O-N 3.38Å; Y137-A144 HydrophobicContact CD2-CB 4.01Å; Y137-A144 HydrophobicContact CE2-CB 3.76Å; Y137-C148 HydrophobicContact CD2-CB 4Å; Y137-C148 HydrophobicContact CE2-CB 3.99Å; Y137-H149 AromaticContact CE2-ND1 3.54Å; Y137-H149 AromaticContact CZ-ND1 3.65Å; Y137-H149 PolarHBondContact OH-ND1 3.17Å; Y137-F152 AromaticContact CD1-CD2 3.87Å; Y137-F152 HydrophobicContact CD1-CD2 3.87Å; Y137-F152 HydrophobicContact CD1-CE2 4.49Å; Y137-F152 HydrophobicContact CD1-CG 4.4Å; Y137-F152 HydrophobicContact CE1-CB 3.9Å; Y137-F152 HydrophobicContact CE1-CD1 4.34Å; Y137-F152 AromaticContact CE1-CD2 3.41Å; Y137-F152 HydrophobicContact CE1-CD2 3.41Å; Y137-F152 VanDerWaalsContact CE1-CD2 3.41Å; Y137-F152 HydrophobicContact CE1-CE2 4.01Å; Y137-F152 AromaticContact CE1-CG 3.61Å; Y137-F152 HydrophobicContact CE1-CG 3.61Å; Y137-F152 AromaticContact CZ-CG 3.99Å; Y137-F260 AromaticContact CD1-CE1 3.92Å; Y137-F260 HydrophobicContact CD1-CE1 3.92Å; Y137-F260 HydrophobicContact CD2-CE1 4.16Å; Y137-F260 HydrophobicContact CD2-CZ 4.35Å; Y137-F260 AromaticContact CE1-CE1 3.74Å; Y137-F260 HydrophobicContact CE1-CE1 3.74Å; Y137-F260 HydrophobicContact CE1-CZ 4.16Å; Y137-F260 AromaticContact CE2-CE1 3.99Å; Y137-F260 HydrophobicContact CE2-CE1 3.99Å; Y137-F260 AromaticContact CE2-CZ 3.83Å; Y137-F260 HydrophobicContact CE2-CZ 3.83Å; Y137-F260 HydrophobicContact CG-CE1 4.13Å; Y137-F260 AromaticContact CZ-CE1 3.79Å; Y137-F260 AromaticContact CZ-CZ 3.73Å; Y137-F260 WeakPolarHBondContact O-CE1 3.12Å; Y137-L261 HydrophobicContact CD1-CD2 3.55Å; Y137-L261 HydrophobicContact CE1-CD2 4.1Å; Y137-K264 HydrophobicContact CE1-CB 4.4Å; Y137-K264 HydrophobicContact CE1-CG 4.36Å; Y137-K264 WeakPolarHBondContact OH-CG 3.4Å
138Q92Very high91.5Very high2 Ų222.1 Ų22.11%0.00912%0.124CC..Hα-helixtrans-74.1-26.7174.976.3-172.7-2500113L134 I135 E240 I244 Q257 L261L134-Q138 WeakPolarHBondContact O-CG 3.26Å; L134-Q138 PolarHBondContact O-N 3.16Å; I135-Q138 WeakPolarHBondContact O-CG 3.44Å; Q138-E240 PolarHBondContact NE2-O 3.46Å; Q138-I244 HydrophobicContact CG-CD1 3.55Å; Q138-Q257 HydrophobicContact CB-CB 4.11Å; Q138-Q257 HydrophobicContact CG-CB 4.37Å; Q138-Q257 WeakPolarHBondContact O-CG 3.36Å; Q138-Q257 PolarHBondContact O-NE2 3.01Å; Q138-L261 HydrophobicContact CB-CD1 3.89Å; Q138-L261 HydrophobicContact CB-CD2 3.99Å; Q138-L261 HydrophobicContact CB-CG 3.81Å
139I91.4Very high91.6Very high1 Ų120.9 Ų20.91%0.00512%0.121CC..Hα-helixtrans-68.4-42.3170.8-64.5164.3000110.7L93 P97 I100 H101 I135 W136 I244 W246L93-I139 WeakPolarHBondContact O-CD1 3.37Å; P97-I139 HydrophobicContact CB-CD1 4.13Å; P97-I139 HydrophobicContact CB-CG1 4.16Å; P97-I139 HydrophobicContact CB-CG2 3.83Å; P97-I139 WeakPolarHBondContact O-CG2 3.37Å; I100-I139 HydrophobicContact CB-CG2 3.82Å; I100-I139 HydrophobicContact CG2-CB 3.99Å; I100-I139 HydrophobicContact CG2-CD1 4.48Å; I100-I139 HydrophobicContact CG2-CG2 3.53Å; H101-I139 HydrophobicContact CB-CG2 4.15Å; H101-I139 PolarHBondContact ND1-O 2.95Å; I135-I139 HydrophobicContact CG2-CD1 4.17Å; I135-I139 WeakPolarHBondContact O-CD1 3.44Å; I135-I139 VanDerWaalsContact O-CG1 3.27Å; I135-I139 WeakPolarHBondContact O-CG1 3.33Å; I135-I139 PolarHBondContact O-N 2.94Å; W136-I139 PolarHBondContact O-N 3.45Å; I139-I244 HydrophobicContact CD1-CD1 4.02Å; I139-I244 HydrophobicContact CD1-CG1 4.17Å; I139-I244 HydrophobicContact CD1-CG2 4.22Å; I139-I244 HydrophobicContact CG1-CD1 3.54Å; I139-I244 HydrophobicContact CG1-CG1 4.17Å; I139-I244 HydrophobicContact CG1-CG2 4.11Å; I139-W246 HydrophobicContact CG2-CH2 4.18Å; I139-W246 HydrophobicContact CG2-CZ2 4.37Å
140L91.9Very high91.4Very high0 Ų027.2 Ų27.20%015%0.145CC..Hα-helixtrans-62.2-46.7173.3-72.7171000111.7I100 R103 W136 Y137 L142 N143 A144I100-L140 WeakPolarHBondContact O-CD2 3.5Å; R103-L140 HydrophobicContact CG-CD2 4.11Å; W136-L140 HydrophobicContact CD2-CD1 3.89Å; W136-L140 HydrophobicContact CE3-CD1 4.2Å; W136-L140 HydrophobicContact CH2-CD1 3.94Å; W136-L140 HydrophobicContact CZ2-CD1 3.62Å; W136-L140 HydrophobicContact CZ3-CD1 4.23Å; W136-L140 PolarHBondContact O-N 3.15Å; W136-L140 VanDerWaalsContact O-N 3.08Å; Y137-L140 PolarHBondContact O-N 3.11Å; L140-L142 PolarHBondContact O-N 2.97Å; L140-N143 WeakPolarHBondContact O-CA 3.46Å; L140-N143 WeakPolarHBondContact O-CB 3.44Å; L140-N143 PolarHBondContact O-N 2.69Å; L140-A144 HydrophobicContact CB-CB 4.01Å; L140-A144 HydrophobicContact CD1-CB 4.47Å
141G88.7Confident91.3Very high10 Ų1027.8 Ų27.810%0.10315%0.148CC..G310 helixtrans54.2-127.3-178.800000111.6Y137 N143 A144 F260Y137-G141 PolarHBondContact O-N 3.38Å; G141-N143 PolarHBondContact O-N 3.44Å; G141-N143 VanDerWaalsContact O-N 3.15Å; G141-A144 WeakPolarHBondContact O-CB 3.48Å; G141-A144 PolarHBondContact O-N 3.16Å; G141-F260 WeakPolarHBondContact O-CE2 3.34Å; G141-F260 WeakPolarHBondContact O-CZ 3.33Å
142L83.7Confident91.3Very high140 Ų14026.6 Ų26.673%0.73314%0.143SC*.G310 helixtrans-60.9-20176-59.4-179.5000114L140 A144 F260L140-L142 PolarHBondContact O-N 2.97Å; L142-A144 VanDerWaalsContact C-N 3.28Å; L142-A144 PolarHBondContact O-N 3.21Å; L142-F260 HydrophobicContact CD2-CD2 4.35Å
143N86.9Confident91.2Very high59 Ų5928.5 Ų28.532%0.31615%0.151SC..G310 helixtrans-82.1-0.8174.8-62.5-15.4000113.2H101 R103 L140 G141H101-N143 PolarHBondContact CD2-ND2 2.78Å; H101-N143 PolarHBondContact CE1-ND2 3.45Å; H101-N143 VanDerWaalsContact CE1-ND2 3.34Å; H101-N143 PolarHBondContact NE2-ND2 3.26Å; H101-N143 VanDerWaalsContact NE2-ND2 3.1Å; H101-N143 PolarHBondContact O-ND2 2.82Å; R103-N143 PolarHBondContact NE-O 2.89Å; R103-N143 PolarHBondContact NH2-O 3.46Å; L140-N143 WeakPolarHBondContact O-CA 3.46Å; L140-N143 WeakPolarHBondContact O-CB 3.44Å; L140-N143 PolarHBondContact O-N 2.69Å; G141-N143 PolarHBondContact O-N 3.44Å; G141-N143 VanDerWaalsContact O-N 3.15Å
144A90.1Very high90.9Very high9 Ų932 Ų327%0.07417%0.17CC..  trans-59.1147.5175.400000111.9Y137 L140 G141 L142 C148 F260Y137-A144 HydrophobicContact CD2-CB 4.01Å; Y137-A144 HydrophobicContact CE2-CB 3.76Å; L140-A144 HydrophobicContact CB-CB 4.01Å; L140-A144 HydrophobicContact CD1-CB 4.47Å; G141-A144 WeakPolarHBondContact O-CB 3.48Å; G141-A144 PolarHBondContact O-N 3.16Å; L142-A144 VanDerWaalsContact C-N 3.28Å; L142-A144 PolarHBondContact O-N 3.21Å; A144-C148 HydrophobicContact CB-CB 4.03Å; A144-F260 HydrophobicContact CB-CZ 4.21Å
145T90.7Very high90.8Very high25 Ų2532.1 Ų32.115%0.15317%0.17CC..  trans-92.7167.1178.660.90000112.2H106 V147 C148 H149H106-T145 PolarHBondContact CE1-OG1 3.31Å; H106-T145 VanDerWaalsContact NE2-CG2 3.26Å; H106-T145 WeakPolarHBondContact NE2-CG2 3.32Å; H106-T145 PolarHBondContact NE2-OG1 2.76Å; H106-T145 VanDerWaalsContact NE2-OG1 3.08Å; T145-V147 PolarHBondContact O-N 3.5Å; T145-C148 WeakPolarHBondContact O-CB 3.27Å; T145-C148 PolarHBondContact O-N 2.94Å; T145-C148 PolarHBondContact OG1-SG 2.61Å; T145-H149 PolarHBondContact O-N 2.84Å
146S84.8Confident90.7Very high95 Ų9532.1 Ų32.166%0.66417%0.17SC*.Hα-helixtrans-57-28.5172.254.30000112.9R150S146-R150 WeakPolarHBondContact O-CB 3.31Å; S146-R150 PolarHBondContact O-N 2.94Å
147V88.8Confident90.1Very high34 Ų3434.6 Ų34.621%0.20619%0.186CC..Hα-helixtrans-69.4-45.4172.4-178.50000111I110 T145 H149 R150 I151I110-V147 HydrophobicContact CD1-CB 4.11Å; I110-V147 HydrophobicContact CD1-CG1 3.85Å; I110-V147 HydrophobicContact CG1-CG1 4.47Å; I110-V147 HydrophobicContact CG2-CG1 4.09Å; T145-V147 PolarHBondContact O-N 3.5Å; V147-H149 VanDerWaalsContact C-N 3.31Å; V147-H149 PolarHBondContact O-N 2.92Å; V147-R150 PolarHBondContact O-N 2.87Å; V147-R150 VanDerWaalsContact O-N 3.15Å; V147-I151 HydrophobicContact CG1-CD1 4.1Å; V147-I151 WeakPolarHBondContact O-CG1 3.43Å; V147-I151 PolarHBondContact O-N 3.12Å
148C92.4Very high89.5Confident0 Ų036.8 Ų36.80%020%0.197CC..Hα-helixtrans-57.2-43.9173.4-54.50000111.7F133 W136 Y137 A144 T145 I151 F152F133-C148 WeakPolarHBondContact CZ-O 3.29Å; W136-C148 WeakPolarHBondContact CH2-SG 3.33Å; Y137-C148 HydrophobicContact CD2-CB 4Å; Y137-C148 HydrophobicContact CE2-CB 3.99Å; A144-C148 HydrophobicContact CB-CB 4.03Å; T145-C148 WeakPolarHBondContact O-CB 3.27Å; T145-C148 PolarHBondContact O-N 2.94Å; T145-C148 PolarHBondContact OG1-SG 2.61Å; C148-I151 PolarHBondContact O-N 2.82Å; C148-F152 PolarHBondContact O-N 2.84Å
149H92.1Very high89.5Confident38 Ų3836.7 Ų36.718%0.17620%0.196CC..Hα-helixtrans-62.6-42.9175.5-64.5-22000112.1Y137 T145 V147 I151 F152 Y153 K264Y137-H149 AromaticContact CE2-ND1 3.54Å; Y137-H149 AromaticContact CZ-ND1 3.65Å; Y137-H149 PolarHBondContact OH-ND1 3.17Å; T145-H149 PolarHBondContact O-N 2.84Å; V147-H149 VanDerWaalsContact C-N 3.31Å; V147-H149 PolarHBondContact O-N 2.92Å; H149-I151 VanDerWaalsContact C-N 3.32Å; H149-I151 PolarHBondContact O-N 3.19Å; H149-F152 WeakPolarHBondContact O-CB 3.47Å; H149-F152 PolarHBondContact O-N 3.14Å; H149-Y153 HydrophobicContact CB-CE1 4.46Å; H149-Y153 HydrophobicContact CB-CE2 4.27Å; H149-Y153 VanDerWaalsContact O-CD1 3.3Å; H149-Y153 WeakPolarHBondContact O-CD1 3.13Å; H149-Y153 WeakPolarHBondContact O-CD2 3.34Å; H149-Y153 PolarHBondContact O-N 2.86Å; H149-K264 VanDerWaalsContact CE1-CE 3.44Å; H149-K264 WeakPolarHBondContact CE1-CE 3.49Å; H149-K264 PolarHBondContact CE1-NZ 2.82Å; H149-K264 PolarHBondContact NE2-NZ 3.06Å
150R88.7Confident89.2Confident133 Ų13336.9 Ų36.950%0.50220%0.198SC..Hα-helixtrans-61-38.8174.5-173.4178.168.7-1342.6112.3S146 V147 Y153 N154S146-R150 WeakPolarHBondContact O-CB 3.31Å; S146-R150 PolarHBondContact O-N 2.94Å; V147-R150 PolarHBondContact O-N 2.87Å; V147-R150 VanDerWaalsContact O-N 3.15Å; R150-Y153 PolarHBondContact O-N 2.82Å; R150-N154 PolarHBondContact O-N 3.5Å; R150-N154 PolarHBondContact O-ND2 2.81Å
151I92.7Very high88.8Confident12 Ų1240.9 Ų40.96%0.06222%0.224CC..Hα-helixtrans-64-47.2174.1-66.8165.8000110I110 I113 E114 L117 F133 V147 C148 H149 Y153 N154 L155I110-I151 HydrophobicContact CG2-CD1 4.39Å; I113-I151 HydrophobicContact CG2-CG2 4.07Å; E114-I151 HydrophobicContact CG-CD1 3.79Å; E114-I151 HydrophobicContact CG-CG1 4.18Å; L117-I151 HydrophobicContact CD1-CG2 3.55Å; F133-I151 HydrophobicContact CD1-CG2 4.28Å; F133-I151 HydrophobicContact CD2-CG2 3.82Å; F133-I151 HydrophobicContact CE1-CG2 4.12Å; F133-I151 HydrophobicContact CE2-CB 4.04Å; F133-I151 HydrophobicContact CE2-CG2 3.64Å; F133-I151 HydrophobicContact CG-CG2 4.13Å; F133-I151 HydrophobicContact CZ-CB 4.07Å; F133-I151 HydrophobicContact CZ-CG2 3.81Å; V147-I151 HydrophobicContact CG1-CD1 4.1Å; V147-I151 WeakPolarHBondContact O-CG1 3.43Å; V147-I151 PolarHBondContact O-N 3.12Å; C148-I151 PolarHBondContact O-N 2.82Å; H149-I151 VanDerWaalsContact C-N 3.32Å; H149-I151 PolarHBondContact O-N 3.19Å; I151-Y153 VanDerWaalsContact C-N 3.29Å; I151-Y153 PolarHBondContact O-N 2.89Å; I151-N154 PolarHBondContact O-N 3.3Å; I151-L155 HydrophobicContact CG2-CD2 4.24Å; I151-L155 PolarHBondContact O-N 2.84Å
152F94.6Very high88.7Confident0 Ų041.5 Ų41.50%023%0.225CC..Hα-helixtrans-56.6-39.1176.9-180-99.1000112.8F133 L134 Y137 C148 H149 N154 L155 L233 K264 L265 Y269F133-F152 HydrophobicContact CE1-CB 3.75Å; F133-F152 HydrophobicContact CE1-CD2 4.06Å; F133-F152 HydrophobicContact CE1-CG 4.42Å; F133-F152 HydrophobicContact CZ-CB 3.93Å; L134-F152 HydrophobicContact CD2-CD2 4.36Å; L134-F152 HydrophobicContact CD2-CE2 4.18Å; Y137-F152 AromaticContact CD1-CD2 3.87Å; Y137-F152 HydrophobicContact CD1-CD2 3.87Å; Y137-F152 HydrophobicContact CD1-CE2 4.49Å; Y137-F152 HydrophobicContact CD1-CG 4.4Å; Y137-F152 HydrophobicContact CE1-CB 3.9Å; Y137-F152 HydrophobicContact CE1-CD1 4.34Å; Y137-F152 AromaticContact CE1-CD2 3.41Å; Y137-F152 HydrophobicContact CE1-CD2 3.41Å; Y137-F152 VanDerWaalsContact CE1-CD2 3.41Å; Y137-F152 HydrophobicContact CE1-CE2 4.01Å; Y137-F152 AromaticContact CE1-CG 3.61Å; Y137-F152 HydrophobicContact CE1-CG 3.61Å; Y137-F152 AromaticContact CZ-CG 3.99Å; C148-F152 PolarHBondContact O-N 2.84Å; H149-F152 WeakPolarHBondContact O-CB 3.47Å; H149-F152 PolarHBondContact O-N 3.14Å; F152-N154 VanDerWaalsContact C-N 3.26Å; F152-N154 PolarHBondContact O-N 3.47Å; F152-L155 HydrophobicContact CD2-CD1 3.93Å; F152-L155 HydrophobicContact CE2-CD1 4.47Å; F152-L155 WeakPolarHBondContact O-CG 3.27Å; F152-L233 HydrophobicContact CE2-CD1 4.38Å; F152-K264 HydrophobicContact CD1-CB 4.29Å; F152-K264 HydrophobicContact CE1-CB 3.78Å; F152-K264 WeakPolarHBondContact CE1-O 3.38Å; F152-K264 HydrophobicContact CZ-CB 4.01Å; F152-L265 HydrophobicContact CZ-CB 4.47Å; F152-Y269 HydrophobicContact CD1-CE2 4.19Å; F152-Y269 AromaticContact CE1-CD2 3.87Å; F152-Y269 HydrophobicContact CE1-CD2 3.87Å; F152-Y269 AromaticContact CE1-CE2 3.73Å; F152-Y269 HydrophobicContact CE1-CE2 3.73Å; F152-Y269 HydrophobicContact CZ-CD2 4.07Å; F152-Y269 AromaticContact CZ-CE2 3.96Å; F152-Y269 HydrophobicContact CZ-CE2 3.96Å; F152-Y269 WeakPolarHBondContact O-CE2 3.33Å; F152-Y269 PolarHBondContact O-OH 2.96Å
153Y92.4Very high88.9Confident40 Ų4034.9 Ų34.916%0.15719%0.19CC..Hα-helixtrans-70.3-19.2177.6-51.5-26000113.7H149 R150 I151 G160 I163 Q167 S268H149-Y153 HydrophobicContact CB-CE1 4.46Å; H149-Y153 HydrophobicContact CB-CE2 4.27Å; H149-Y153 VanDerWaalsContact O-CD1 3.3Å; H149-Y153 WeakPolarHBondContact O-CD1 3.13Å; H149-Y153 WeakPolarHBondContact O-CD2 3.34Å; H149-Y153 PolarHBondContact O-N 2.86Å; R150-Y153 PolarHBondContact O-N 2.82Å; I151-Y153 VanDerWaalsContact C-N 3.29Å; I151-Y153 PolarHBondContact O-N 2.89Å; Y153-G160 VanDerWaalsContact O-CA 3.27Å; Y153-G160 WeakPolarHBondContact O-CA 3.5Å; Y153-I163 HydrophobicContact CD1-CG2 3.91Å; Y153-I163 HydrophobicContact CD2-CG2 4.09Å; Y153-I163 HydrophobicContact CG-CG2 3.72Å; Y153-Q167 VanDerWaalsContact CE2-OE1 3.22Å; Y153-Q167 PolarHBondContact OH-NE2 2.95Å; Y153-S268 VanDerWaalsContact CE1-OG 3.23Å; Y153-S268 WeakPolarHBondContact CE1-OG 3.37Å
154N89.9Confident88.7Confident74 Ų7434.7 Ų34.740%0.39620%0.197SC..THydrogen-bonded Turntrans-108.38.6-174.2-72.6-83.2000113.9R150 I151 F152 V156R150-N154 PolarHBondContact O-N 3.5Å; R150-N154 PolarHBondContact O-ND2 2.81Å; I151-N154 PolarHBondContact O-N 3.3Å; F152-N154 VanDerWaalsContact C-N 3.26Å; F152-N154 PolarHBondContact O-N 3.47Å; N154-V156 PolarHBondContact O-N 3.18Å
155L93.5Very high88.3Confident1 Ų138.2 Ų38.21%0.00521%0.212CC..SBendtrans-60.9-31.1176.3-56.4175000112L117 I130 F133 I151 F152 L233L117-L155 HydrophobicContact CD1-CD2 3.65Å; L117-L155 HydrophobicContact CD2-CD2 4.02Å; I130-L155 HydrophobicContact CD1-CB 4.25Å; I130-L155 HydrophobicContact CG1-CB 4.19Å; I130-L155 HydrophobicContact CG1-CD2 4.19Å; F133-L155 HydrophobicContact CD1-CD1 3.84Å; F133-L155 HydrophobicContact CD1-CD2 3.63Å; F133-L155 HydrophobicContact CD1-CG 4.29Å; F133-L155 HydrophobicContact CE1-CD1 3.98Å; F133-L155 HydrophobicContact CE1-CD2 4.1Å; F133-L155 HydrophobicContact CE1-CG 4.43Å; F133-L155 HydrophobicContact CG-CD2 4.32Å; I151-L155 HydrophobicContact CG2-CD2 4.24Å; I151-L155 PolarHBondContact O-N 2.84Å; F152-L155 HydrophobicContact CD2-CD1 3.93Å; F152-L155 HydrophobicContact CE2-CD1 4.47Å; F152-L155 WeakPolarHBondContact O-CG 3.27Å; L155-L233 HydrophobicContact CD1-CD1 3.89Å
156V90.6Very high87.8Confident0 Ų041.1 Ų41.10%022%0.22CC..SBendtrans-112.4101.3166.2-176.90000106.3N154 E158 F159 L229 L230 L233 Y269N154-V156 PolarHBondContact O-N 3.18Å; V156-E158 PolarHBondContact O-N 3.49Å; V156-E158 VanDerWaalsContact O-N 3.13Å; V156-F159 HydrophobicContact CB-CD2 3.88Å; V156-F159 HydrophobicContact CB-CE2 4.28Å; V156-F159 HydrophobicContact CB-CG 4.31Å; V156-F159 HydrophobicContact CG1-CD1 4.39Å; V156-F159 HydrophobicContact CG1-CD2 3.8Å; V156-F159 HydrophobicContact CG1-CE1 4.44Å; V156-F159 HydrophobicContact CG1-CE2 3.89Å; V156-F159 HydrophobicContact CG1-CG 4.05Å; V156-F159 HydrophobicContact CG1-CZ 4.2Å; V156-F159 HydrophobicContact CG2-CD2 4.44Å; V156-F159 PolarHBondContact O-N 2.82Å; V156-L229 HydrophobicContact CG2-CB 4.17Å; V156-L230 HydrophobicContact CG2-CB 4.21Å; V156-L233 HydrophobicContact CG2-CD2 4.37Å; V156-Y269 HydrophobicContact CB-CE1 4.19Å; V156-Y269 HydrophobicContact CG2-CE1 3.99Å
157P82.2Confident87.6Confident54 Ų5438.6 Ų38.635%0.35120%0.198SC..THydrogen-bonded Turntrans-58.2-33.2-167.2-29.135.9000114.6R126 F159 G160 P161R126-P157 VanDerWaalsContact NH2-CG 3.28Å; P157-F159 PolarHBondContact O-N 3.24Å; P157-G160 PolarHBondContact O-N 3.36Å; P157-P161 VanDerWaalsContact O-CD 3.22Å; P157-P161 WeakPolarHBondContact O-CD 3.41Å
158E82.8Confident87.2Confident46 Ų4643.5 Ų43.522%0.21522%0.217CC..THydrogen-bonded Turntrans-63.5-27.8179.4-168.6170.1137.800113.4V156 S226 R312 Y316V156-E158 PolarHBondContact O-N 3.49Å; V156-E158 VanDerWaalsContact O-N 3.13Å; E158-S226 WeakPolarHBondContact OE2-CB 3.46Å; E158-S226 PolarHBondContact OE2-OG 3.26Å; E158-R312 IonicContact OE1-CZ 3.45Å; E158-R312 VanDerWaalsContact OE1-CZ 3.27Å; E158-R312 IonicContact OE1-NE 3.12Å; E158-R312 IonicContact OE1-NH1 2.9Å; E158-R312 PolarHBondContact OE1-NH1 2.87Å; E158-R312 IonicContact OE1-NH2 3.15Å; E158-R312 IonicContact OE2-CZ 3.09Å; E158-R312 IonicContact OE2-NH1 3.46Å; E158-R312 PolarHBondContact OE2-NH1 2.9Å; E158-R312 IonicContact OE2-NH2 3.3Å; E158-R312 PolarHBondContact OE2-NH2 2.93Å; E158-Y316 PolarHBondContact OE1-OH 2.7Å; E158-Y316 PolarHBondContact OE2-OH 3.05Å
159F90.1Very high86.4Confident0 Ų050.6 Ų50.60%024%0.243CC..THydrogen-bonded Turntrans-89.7-24.3179-57.8-15.8000112.5V156 P157 L162 I163 L230 Y269 V272 I273 I308 Y316V156-F159 HydrophobicContact CB-CD2 3.88Å; V156-F159 HydrophobicContact CB-CE2 4.28Å; V156-F159 HydrophobicContact CB-CG 4.31Å; V156-F159 HydrophobicContact CG1-CD1 4.39Å; V156-F159 HydrophobicContact CG1-CD2 3.8Å; V156-F159 HydrophobicContact CG1-CE1 4.44Å; V156-F159 HydrophobicContact CG1-CE2 3.89Å; V156-F159 HydrophobicContact CG1-CG 4.05Å; V156-F159 HydrophobicContact CG1-CZ 4.2Å; V156-F159 HydrophobicContact CG2-CD2 4.44Å; V156-F159 PolarHBondContact O-N 2.82Å; P157-F159 PolarHBondContact O-N 3.24Å; F159-L162 CarbonylContact O-C 3.59Å; F159-L162 WeakPolarHBondContact O-CA 3.45Å; F159-L162 WeakPolarHBondContact O-CB 3.06Å; F159-L162 PolarHBondContact O-N 2.79Å; F159-I163 HydrophobicContact CB-CD1 4.05Å; F159-I163 HydrophobicContact CB-CG1 4.34Å; F159-I163 VanDerWaalsContact O-CG1 3.29Å; F159-I163 WeakPolarHBondContact O-CG1 3.44Å; F159-I163 PolarHBondContact O-N 2.94Å; F159-L230 HydrophobicContact CE2-CD1 4.27Å; F159-L230 HydrophobicContact CE2-CD2 4.2Å; F159-L230 HydrophobicContact CZ-CD2 4.34Å; F159-Y269 AromaticContact CD2-CD1 3.64Å; F159-Y269 HydrophobicContact CD2-CD1 3.64Å; F159-Y269 AromaticContact CD2-CE1 3.63Å; F159-Y269 HydrophobicContact CD2-CE1 3.63Å; F159-Y269 HydrophobicContact CE2-CD1 4.15Å; F159-Y269 HydrophobicContact CE2-CE1 4.33Å; F159-V272 HydrophobicContact CB-CG1 4.2Å; F159-V272 HydrophobicContact CD1-CG1 3.98Å; F159-V272 HydrophobicContact CG-CG1 4.08Å; F159-I273 HydrophobicContact CE2-CD1 4.25Å; F159-I273 HydrophobicContact CE2-CG1 4.08Å; F159-I273 HydrophobicContact CZ-CG1 4.34Å; F159-I308 HydrophobicContact CD1-CD1 3.93Å; F159-I308 HydrophobicContact CE1-CD1 3.68Å; F159-Y316 AromaticContact CE1-CD2 3.7Å; F159-Y316 HydrophobicContact CE1-CD2 3.7Å; F159-Y316 AromaticContact CE1-CE2 3.57Å; F159-Y316 HydrophobicContact CE1-CE2 3.57Å; F159-Y316 HydrophobicContact CE1-CG 4.26Å; F159-Y316 AromaticContact CZ-CD1 4Å; F159-Y316 HydrophobicContact CZ-CD1 4Å; F159-Y316 AromaticContact CZ-CD2 3.64Å; F159-Y316 HydrophobicContact CZ-CD2 3.64Å; F159-Y316 HydrophobicContact CZ-CE1 4.19Å; F159-Y316 AromaticContact CZ-CE2 3.85Å; F159-Y316 HydrophobicContact CZ-CE2 3.85Å; F159-Y316 AromaticContact CZ-CG 3.72Å; F159-Y316 HydrophobicContact CZ-CG 3.72Å
160G86.4Confident85.4Confident4 Ų450.8 Ų50.84%0.04124%0.244CC..Hα-helixtrans-49.5-49.7-177.400000114.8Y153 P157 A164Y153-G160 VanDerWaalsContact O-CA 3.27Å; Y153-G160 WeakPolarHBondContact O-CA 3.5Å; P157-G160 PolarHBondContact O-N 3.36Å; G160-A164 WeakPolarHBondContact O-CB 3.36Å; G160-A164 PolarHBondContact O-N 2.79Å; G160-A164 VanDerWaalsContact O-N 3.08Å
161P83.8Confident84.7Confident84 Ų8448.5 Ų48.555%0.54524%0.242SC..Hα-helixtrans-62.6-39.5174.4-24.234.9000113.4P157 A164 E165P157-P161 VanDerWaalsContact O-CD 3.22Å; P157-P161 WeakPolarHBondContact O-CD 3.41Å; P161-A164 PolarHBondContact O-N 3.05Å; P161-E165 PolarHBondContact O-N 3.1Å
162L85.6Confident83.7Confident24 Ų2450.9 Ų50.913%0.12626%0.255CS..Hα-helixtrans-70.8-38.7-177.8-54.5177.5000111.7F159 E165 Y166 V272 P307 I308F159-L162 CarbonylContact O-C 3.59Å; F159-L162 WeakPolarHBondContact O-CA 3.45Å; F159-L162 WeakPolarHBondContact O-CB 3.06Å; F159-L162 PolarHBondContact O-N 2.79Å; L162-E165 PolarHBondContact O-N 2.94Å; L162-Y166 VanDerWaalsContact O-CB 3.3Å; L162-Y166 WeakPolarHBondContact O-CB 3.41Å; L162-Y166 PolarHBondContact O-N 3.36Å; L162-V272 HydrophobicContact CB-CG1 3.77Å; L162-V272 HydrophobicContact CB-CG2 3.91Å; L162-V272 HydrophobicContact CD1-CG1 3.69Å; L162-V272 HydrophobicContact CG-CG1 4.38Å; L162-P307 HydrophobicContact CD2-CB 3.74Å; L162-P307 HydrophobicContact CD2-CG 3.76Å; L162-I308 HydrophobicContact CD1-CD1 3.58Å; L162-I308 HydrophobicContact CD1-CG1 3.76Å
163I89.1Confident82.1Confident0 Ų057.2 Ų57.20%029%0.285CS..Hα-helixtrans-63.9-44.5172.9-64.3175.1000109.8Y153 F159 E165 Y166 Q167 S268 Y269 V272Y153-I163 HydrophobicContact CD1-CG2 3.91Å; Y153-I163 HydrophobicContact CD2-CG2 4.09Å; Y153-I163 HydrophobicContact CG-CG2 3.72Å; F159-I163 HydrophobicContact CB-CD1 4.05Å; F159-I163 HydrophobicContact CB-CG1 4.34Å; F159-I163 VanDerWaalsContact O-CG1 3.29Å; F159-I163 WeakPolarHBondContact O-CG1 3.44Å; F159-I163 PolarHBondContact O-N 2.94Å; I163-E165 PolarHBondContact O-N 3.36Å; I163-Y166 PolarHBondContact O-N 2.92Å; I163-Q167 HydrophobicContact CG2-CG 4.47Å; I163-Q167 WeakPolarHBondContact O-CB 2.93Å; I163-Q167 VanDerWaalsContact O-CG 3.28Å; I163-Q167 WeakPolarHBondContact O-CG 3.19Å; I163-Q167 PolarHBondContact O-N 2.81Å; I163-S268 WeakPolarHBondContact CG1-O 3.29Å; I163-Y269 HydrophobicContact CD1-CD2 4.22Å; I163-Y269 HydrophobicContact CD1-CE2 4.11Å; I163-Y269 HydrophobicContact CD1-CG 4.46Å; I163-V272 HydrophobicContact CG1-CG2 3.8Å
164A82.6Confident80.3Confident56 Ų5662.5 Ų62.546%0.46331%0.305SS..Hα-helixtrans-64.5-38.4176.700000112.4G160 P161 K168G160-A164 WeakPolarHBondContact O-CB 3.36Å; G160-A164 PolarHBondContact O-N 2.79Å; G160-A164 VanDerWaalsContact O-N 3.08Å; P161-A164 PolarHBondContact O-N 3.05Å; A164-K168 WeakPolarHBondContact O-CB 3.2Å; A164-K168 PolarHBondContact O-N 3.3Å
165E81.5Confident78.9Confident82 Ų8265.7 Ų65.738%0.38332%0.315SS..Hα-helixtrans-69.9-43.9175.3-154.1-155.9148.600112P161 L162 I163 Q167 K168 R169P161-E165 PolarHBondContact O-N 3.1Å; L162-E165 PolarHBondContact O-N 2.94Å; I163-E165 PolarHBondContact O-N 3.36Å; E165-Q167 PolarHBondContact O-N 3.2Å; E165-K168 WeakPolarHBondContact O-CB 3.39Å; E165-K168 PolarHBondContact O-N 3.33Å; E165-K168 VanDerWaalsContact O-N 3.15Å; E165-R169 WeakPolarHBondContact O-CG 2.91Å; E165-R169 PolarHBondContact O-N 3.46Å; E165-R169 IonicContact OE1-CZ 3.59Å; E165-R169 IonicContact OE1-NE 2.72Å; E165-R169 PolarHBondContact OE1-NE 3.34Å; E165-R169 IonicContact OE1-NH2 3.72Å; E165-R169 PolarHBondContact OE1-NH2 3.3Å; E165-R169 IonicContact OE2-NH2 3.41Å
166Y80.3Confident76.9Confident86 Ų8675.9 Ų75.934%0.33735%0.353SS..Hα-helixtrans-57.3-50.5174.8176.4-94.3000111.2L162 I163 K168 R169 E170 P271L162-Y166 VanDerWaalsContact O-CB 3.3Å; L162-Y166 WeakPolarHBondContact O-CB 3.41Å; L162-Y166 PolarHBondContact O-N 3.36Å; I163-Y166 PolarHBondContact O-N 2.92Å; Y166-K168 PolarHBondContact O-N 2.78Å; Y166-R169 PolarHBondContact O-N 2.99Å; Y166-R169 VanDerWaalsContact O-N 3.13Å; Y166-E170 WeakPolarHBondContact O-CB 3.21Å; Y166-E170 PolarHBondContact O-N 3Å; Y166-P271 HydrophobicContact CD1-CB 4.05Å; Y166-P271 HydrophobicContact CD1-CG 4.24Å; Y166-P271 HydrophobicContact CD2-CB 3.72Å; Y166-P271 HydrophobicContact CE1-CB 3.78Å; Y166-P271 HydrophobicContact CE1-CG 3.68Å; Y166-P271 HydrophobicContact CE2-CB 3.42Å; Y166-P271 VanDerWaalsContact CE2-CB 3.42Å; Y166-P271 HydrophobicContact CE2-CG 4.15Å; Y166-P271 HydrophobicContact CG-CB 4.03Å; Y166-P271 VanDerWaalsContact CZ-CB 3.44Å
167Q80.6Confident74.9Confident43 Ų4379.5 Ų79.520%0.20138%0.379CS..Hα-helixtrans-61.7-32.9177.2-72.3174.68.900112.1Y153 I163 E165 N171Y153-Q167 VanDerWaalsContact CE2-OE1 3.22Å; Y153-Q167 PolarHBondContact OH-NE2 2.95Å; I163-Q167 HydrophobicContact CG2-CG 4.47Å; I163-Q167 WeakPolarHBondContact O-CB 2.93Å; I163-Q167 VanDerWaalsContact O-CG 3.28Å; I163-Q167 WeakPolarHBondContact O-CG 3.19Å; I163-Q167 PolarHBondContact O-N 2.81Å; E165-Q167 PolarHBondContact O-N 3.2Å; Q167-N171 WeakPolarHBondContact O-CB 3.24Å; Q167-N171 PolarHBondContact O-N 3.47Å; Q167-N171 PolarHBondContact O-ND2 3.14Å
168K79.6Confident72.8Confident137 Ų13783.9 Ų83.960%0.59639%0.394SS*.Hα-helixtrans-66.9-49.7171.9-175.8-174.5174.1-169.60111.5A164 E165 Y166 E170 N171 D172A164-K168 WeakPolarHBondContact O-CB 3.2Å; A164-K168 PolarHBondContact O-N 3.3Å; E165-K168 WeakPolarHBondContact O-CB 3.39Å; E165-K168 PolarHBondContact O-N 3.33Å; E165-K168 VanDerWaalsContact O-N 3.15Å; Y166-K168 PolarHBondContact O-N 2.78Å; K168-E170 VanDerWaalsContact C-N 3.32Å; K168-E170 PolarHBondContact O-N 3.12Å; K168-N171 PolarHBondContact O-N 3.38Å; K168-D172 WeakPolarHBondContact O-CB 3.44Å; K168-D172 PolarHBondContact O-N 3.03Å
169R74.8Confident70.9Confident148 Ų14886.9 Ų86.956%0.55842%0.418SS*.Hα-helixtrans-56.8-44.8176.9-68.9176.9-174.5-1666.4111.2E165 Y166 D172 Q173E165-R169 WeakPolarHBondContact O-CG 2.91Å; E165-R169 PolarHBondContact O-N 3.46Å; E165-R169 IonicContact OE1-CZ 3.59Å; E165-R169 IonicContact OE1-NE 2.72Å; E165-R169 PolarHBondContact OE1-NE 3.34Å; E165-R169 IonicContact OE1-NH2 3.72Å; E165-R169 PolarHBondContact OE1-NH2 3.3Å; E165-R169 IonicContact OE2-NH2 3.41Å; Y166-R169 PolarHBondContact O-N 2.99Å; Y166-R169 VanDerWaalsContact O-N 3.13Å; R169-D172 PolarHBondContact O-N 3.41Å; R169-Q173 WeakPolarHBondContact O-CG 3.47Å; R169-Q173 PolarHBondContact O-N 3.34Å
170E72.2Confident68.3Low42 Ų4295.7 Ų95.720%0.19646%0.458CS..Hα-helixtrans-63.8-46.8178.3-161.3-157.1157.300111.9Y166 K168 D172 Q173 R174Y166-E170 WeakPolarHBondContact O-CB 3.21Å; Y166-E170 PolarHBondContact O-N 3Å; K168-E170 VanDerWaalsContact C-N 3.32Å; K168-E170 PolarHBondContact O-N 3.12Å; E170-D172 VanDerWaalsContact C-N 3.31Å; E170-D172 PolarHBondContact O-N 2.73Å; E170-Q173 PolarHBondContact O-N 3.39Å; E170-R174 WeakPolarHBondContact O-CG 3.33Å; E170-R174 PolarHBondContact O-N 3.29Å; E170-R174 IonicContact OE1-CZ 3.42Å; E170-R174 IonicContact OE1-NE 3.01Å; E170-R174 PolarHBondContact OE1-NE 2.69Å; E170-R174 IonicContact OE1-NH2 3.2Å; E170-R174 PolarHBondContact OE1-NH2 3.07Å
171N73.5Confident65.9Low85 Ų8599.9 Ų99.946%0.45549%0.493SS..Hα-helixtrans-63.4-35.1176.1-83.6-70.7000112.6Q167 K168 K175Q167-N171 WeakPolarHBondContact O-CB 3.24Å; Q167-N171 PolarHBondContact O-N 3.47Å; Q167-N171 PolarHBondContact O-ND2 3.14Å; K168-N171 PolarHBondContact O-N 3.38Å; N171-K175 VanDerWaalsContact O-CG 3.29Å; N171-K175 WeakPolarHBondContact O-CG 3.27Å; N171-K175 PolarHBondContact O-N 3.01Å; N171-K175 VanDerWaalsContact O-N 3.15Å
172D70.8Confident63.3Low62 Ų62107.1 Ų107.133%0.33251%0.509SS..Hα-helixtrans-76.1-27176.5-70.7-23000112.5K168 R169 E170 K175 R176K168-D172 WeakPolarHBondContact O-CB 3.44Å; K168-D172 PolarHBondContact O-N 3.03Å; R169-D172 PolarHBondContact O-N 3.41Å; E170-D172 VanDerWaalsContact C-N 3.31Å; E170-D172 PolarHBondContact O-N 2.73Å; D172-K175 IonicContact OD1-NZ 2.77Å; D172-K175 PolarHBondContact OD1-NZ 2.83Å; D172-R176 WeakPolarHBondContact O-CG 3.4Å; D172-R176 PolarHBondContact O-N 3.11Å
173Q61.1Low60.7Low134 Ų134113 Ų11363%0.62654%0.541SS*.Hα-helixtrans-68.1-47.7166.4-75179.9100111.8R169 E170 K175 R176 S177R169-Q173 WeakPolarHBondContact O-CG 3.47Å; R169-Q173 PolarHBondContact O-N 3.34Å; E170-Q173 PolarHBondContact O-N 3.39Å; Q173-K175 PolarHBondContact O-N 2.92Å; Q173-R176 PolarHBondContact O-N 3.15Å; Q173-S177 PolarHBondContact O-N 2.84Å; Q173-S177 VanDerWaalsContact O-N 3.16Å
174R55.7Low57.8Low151 Ų151121.5 Ų121.557%0.5759%0.585SS**Hα-helixtrans-57.9-28.8176-70.2174.7-179-131.87.7112.9E170 S177E170-R174 WeakPolarHBondContact O-CG 3.33Å; E170-R174 PolarHBondContact O-N 3.29Å; E170-R174 IonicContact OE1-CZ 3.42Å; E170-R174 IonicContact OE1-NE 3.01Å; E170-R174 PolarHBondContact OE1-NE 2.69Å; E170-R174 IonicContact OE1-NH2 3.2Å; E170-R174 PolarHBondContact OE1-NH2 3.07Å; R174-S177 PolarHBondContact O-OG 3.37Å; R174-S177 VanDerWaalsContact O-OG 3.12Å
175K59.5Low55.1Low141 Ų141124.1 Ų124.161%0.61360%0.6SS**Hα-helixtrans-75.1-30.8171.5-69.9166.9-156162.10113.6N171 D172 Q173N171-K175 VanDerWaalsContact O-CG 3.29Å; N171-K175 WeakPolarHBondContact O-CG 3.27Å; N171-K175 PolarHBondContact O-N 3.01Å; N171-K175 VanDerWaalsContact O-N 3.15Å; D172-K175 IonicContact OD1-NZ 2.77Å; D172-K175 PolarHBondContact OD1-NZ 2.83Å; Q173-K175 PolarHBondContact O-N 2.92Å
176R52.1Low52.5Low214 Ų214126.5 Ų126.581%0.80862%0.621SS**Hα-helixtrans-77.5-27.2179.6-75.9179.6177.9-165.40.1112.9D172 Q173 H178D172-R176 WeakPolarHBondContact O-CG 3.4Å; D172-R176 PolarHBondContact O-N 3.11Å; Q173-R176 PolarHBondContact O-N 3.15Å; R176-H178 VanDerWaalsContact C-N 3.33Å; R176-H178 PolarHBondContact O-N 3.35Å
177S47.5Very low50Low77 Ų77129.9 Ų129.954%0.53865%0.645SS.*SBendtrans-76.6-10.3-179.252.70000115.2Q173 R174Q173-S177 PolarHBondContact O-N 2.84Å; Q173-S177 VanDerWaalsContact O-N 3.16Å; R174-S177 PolarHBondContact O-OG 3.37Å; R174-S177 VanDerWaalsContact O-OG 3.12Å
178H38.5Very low47.7Very low145 Ų145134 Ų13467%0.67167%0.672SS**  trans-131.481.5178.2-67-62.2000113.9R176 H180R176-H178 VanDerWaalsContact C-N 3.33Å; R176-H178 PolarHBondContact O-N 3.35Å; H178-H180 VanDerWaalsContact C-N 3.3Å; H178-H180 PolarHBondContact O-N 2.86Å
179P43.2Very low45.3Very low110 Ų110139.1 Ų139.171%0.71469%0.688SS**SBendtrans-72.4-16.3174.1-19.233.7000114.9
180H36.7Very low43Very low184 Ų184135.4 Ų135.485%0.85270%0.696SS**  trans-129.272.3-167.9-70-15.6000113.1H178H178-H180 VanDerWaalsContact C-N 3.3Å; H178-H180 PolarHBondContact O-N 2.86Å
181A34.4Very low40.8Very low92 Ų92143 Ų14376%0.7673%0.731SS**  trans-148.868163.500000110.1
182R30.6Very low38.4Very low236 Ų236146.8 Ų146.889%0.89175%0.748SS**  trans-94138.9166.1-95.3-172.5175.4174.9-0.6109.5
183N31.1Very low36.3Very low149 Ų149152.5 Ų152.580%0.79778%0.775SS**  trans6674.4166.6-50.7-1.8000115.5
184L27.7Very low34.5Very low177 Ų177154.4 Ų154.493%0.92778%0.784SS**  trans-98.9142.7133.4-128.374000108.2
185S26.5Very low33.2Very low111 Ų111156 Ų15678%0.77680%0.798SS**  trans-74146.4-169.7440000113.4D187S185-D187 PolarHBondContact O-N 3.19Å; S185-D187 VanDerWaalsContact O-N 3.14Å
186T26.8Very low31.7Very low133 Ų133153.7 Ų153.782%0.81680%0.8SS**  trans-65.8105.7166.548.60000110.2T188T186-T188 PolarHBondContact O-OG1 3.42Å
187D27.9Very low30.6Very low157 Ų157153.3 Ų153.384%0.8480%0.804SS**  trans-84.1137.8172.9-156.3-8.7000111.4S185 R189S185-D187 PolarHBondContact O-N 3.19Å; S185-D187 VanDerWaalsContact O-N 3.14Å; D187-R189 PolarHBondContact O-N 3.12Å
188T32.5Very low29.7Very low128 Ų128154 Ų15479%0.78581%0.809SS**SBendtrans-10563-150.6-51.10000112.1T186T186-T188 PolarHBondContact O-OG1 3.42Å
189R27.5Very low29.2Very low246 Ų246151.9 Ų151.993%0.92881%0.81SS**  trans-142.720.7172.2-136.3171.4-177.6169.30.1118.1D187D187-R189 PolarHBondContact O-N 3.12Å
190G27Very low28.7Very low70 Ų70153.6 Ų153.672%0.72281%0.814SS**  trans-86.2104.3156.400000110.6M192G190-M192 PolarHBondContact O-N 2.76Å
191Q25.7Very low28.5Very low200 Ų200151 Ų15194%0.93581%0.811SS**  trans-70.581.7157.9-83.5-172-16.400108.1M193Q191-M193 PolarHBondContact O-N 3.27Å
192M23.9Very low28.6Very low165 Ų165152.7 Ų152.781%0.81381%0.811SS**  trans-57.1112.8158.2-76.1-17867.800106.7G190 Q194G190-M192 PolarHBondContact O-N 2.76Å; M192-Q194 VanDerWaalsContact C-N 3.29Å; M192-Q194 PolarHBondContact O-N 3.41Å
193M25.7Very low29Very low182 Ų182145 Ų14590%0.89780%0.798SS**  trans-56.8105.4152.3-83.1-171.416500106Q191 E195Q191-M193 PolarHBondContact O-N 3.27Å; M193-E195 PolarHBondContact O-N 2.78Å
194Q23.8Very low29.6Very low175 Ų175143.9 Ų143.982%0.81880%0.799SS**  trans-57.4114.2159-80-175.3-17.400105.7M192 S196M192-Q194 VanDerWaalsContact C-N 3.29Å; M192-Q194 PolarHBondContact O-N 3.41Å; Q194-S196 VanDerWaalsContact C-N 3.33Å; Q194-S196 PolarHBondContact O-N 2.8Å
195E28.1Very low31.1Very low184 Ų184140.1 Ų140.186%0.8677%0.772SS**  trans-54.3106163.6-69.6-176.4140.600106.4M193 K197M193-E195 PolarHBondContact O-N 2.78Å; E195-K197 PolarHBondContact O-N 3.26Å; E195-K197 VanDerWaalsContact O-N 3.09Å
196S27.8Very low32.8Very low93 Ų93142.6 Ų142.665%0.6577%0.772SS**  trans-62.3118.2-169.349.90000108.3Q194 S198Q194-S196 VanDerWaalsContact C-N 3.33Å; Q194-S196 PolarHBondContact O-N 2.8Å; S196-S198 PolarHBondContact O-N 2.96Å; S196-S198 PolarHBondContact O-OG 3.26Å
197K30.2Very low35.1Very low205 Ų205139.7 Ų139.789%0.89175%0.746SS**  trans-71.953.9-179.5-67.3-175.51771800112.4E195 S199E195-K197 PolarHBondContact O-N 3.26Å; E195-K197 VanDerWaalsContact O-N 3.09Å; K197-S199 PolarHBondContact O-N 2.88Å
198S27.5Very low37.2Very low92 Ų92135 Ų13564%0.64372%0.723SS**  trans-71.280.9160.253.10000107.9S196 N200S196-S198 PolarHBondContact O-N 2.96Å; S196-S198 PolarHBondContact O-OG 3.26Å; S198-N200 PolarHBondContact O-N 3.09Å
199S28.4Very low39.2Very low100 Ų100129.7 Ų129.770%0.69969%0.691SS**  trans-73.766.1-176.9600000112K197 V201K197-S199 PolarHBondContact O-N 2.88Å; S199-V201 VanDerWaalsContact C-N 3.3Å; S199-V201 PolarHBondContact O-N 3.27Å
200N32.8Very low41.6Very low147 Ų147118 Ų11879%0.78665%0.648SS**  trans-69.994.5159.5-76.3-4000107S198 V202S198-N200 PolarHBondContact O-N 3.09Å; N200-V202 PolarHBondContact O-N 2.79Å
201V33.6Very low44.1Very low130 Ų130115.4 Ų115.479%0.78862%0.617SS**  trans-71.580.7175.8-175.90000108.4S199 A203S199-V201 VanDerWaalsContact C-N 3.3Å; S199-V201 PolarHBondContact O-N 3.27Å; V201-A203 PolarHBondContact O-N 2.92Å
202V36.2Very low46.6Very low126 Ų126108.3 Ų108.376%0.76459%0.587SS**PPolyproline II helixtrans-62.8116.3160.1-178.10000105.9N200N200-V202 PolarHBondContact O-N 2.79Å
203A37.9Very low48.9Very low75 Ų75101 Ų10162%0.6255%0.553SS**PPolyproline II helixtrans-57.6138175.900000109.1V201 R205V201-A203 PolarHBondContact O-N 2.92Å; A203-R205 PolarHBondContact O-N 3.47Å
204P44.2Very low51.2Low126 Ų12697.5 Ų97.582%0.81854%0.542SS*.PPolyproline II helixtrans-53.5125.1-179.1-2735000111.3E206P204-E206 PolarHBondContact O-N 3.4Å; P204-E206 VanDerWaalsContact O-N 3.1Å
205R58.9Low53.3Low97 Ų9791.7 Ų91.737%0.36652%0.524SS..  trans-54.6114.4175.3-178.8-174.9-173.21571.6108.9E67 E111 A203 R207E67-R205 IonicContact OE2-CZ 3.9Å; E67-R205 IonicContact OE2-NE 2.68Å; E67-R205 PolarHBondContact OE2-NE 2.81Å; E67-R205 IonicContact OE2-NH2 3.34Å; E67-R205 PolarHBondContact OE2-NH2 2.85Å; E111-R205 IonicContact OE2-CZ 3.3Å; E111-R205 IonicContact OE2-NH1 2.63Å; E111-R205 PolarHBondContact OE2-NH1 2.95Å; A203-R205 PolarHBondContact O-N 3.47Å; R205-R207 PolarHBondContact O-N 3.1Å
206E63.2Low55.3Low164 Ų16485.5 Ų85.577%0.76650%0.496SS*.  trans-69102.9178-172.1179-178.100109.3P204 V208P204-E206 PolarHBondContact O-N 3.4Å; P204-E206 VanDerWaalsContact O-N 3.1Å; E206-V208 PolarHBondContact O-N 2.8Å
207R73.5Confident57.2Low72 Ų7284.3 Ų84.327%0.27250%0.499SS..  trans-65.5131.3-177.4-63.9-174177133.711.8110.6E114 D115 Y118 R205E114-R207 IonicContact OE1-CZ 3.09Å; E114-R207 IonicContact OE1-NH1 3.44Å; E114-R207 PolarHBondContact OE1-NH1 3.44Å; E114-R207 IonicContact OE1-NH2 3.23Å; E114-R207 PolarHBondContact OE1-NH2 2.92Å; E114-R207 VanDerWaalsContact OE1-NH2 3.15Å; E114-R207 IonicContact OE2-CZ 2.85Å; E114-R207 IonicContact OE2-NH1 2.71Å; E114-R207 IonicContact OE2-NH2 3.42Å; E114-R207 PolarHBondContact OE2-NH2 2.9Å; D115-R207 WeakPolarHBondContact OD1-CD 3.48Å; D115-R207 WeakPolarHBondContact OD1-CG 3.21Å; D115-R207 IonicContact OD1-NE 3.66Å; D115-R207 PolarHBondContact OD1-NE 2.69Å; D115-R207 VanDerWaalsContact OD1-NE 3.12Å; Y118-R207 HydrophobicContact CD1-CB 4.01Å; Y118-R207 HydrophobicContact CD2-CB 4.4Å; Y118-R207 HydrophobicContact CE1-CB 3.84Å; Y118-R207 WeakPolarHBondContact CE1-O 3.28Å; Y118-R207 HydrophobicContact CE2-CB 4.28Å; Y118-R207 HydrophobicContact CG-CB 4.27Å; Y118-R207 PolarHBondContact OH-O 3.22Å; R205-R207 PolarHBondContact O-N 3.1Å
208V72Confident59.1Low59 Ų5976.8 Ų76.836%0.35847%0.467SS..  trans-113.4147.3174.4175.70000108.8K71 E206 L210K71-V208 HydrophobicContact CG-CG1 4.42Å; E206-V208 PolarHBondContact O-N 2.8Å; V208-L210 PolarHBondContact O-N 2.98Å
209A74.6Confident60.9Low15 Ų1578.1 Ų78.112%0.12447%0.467CS..  trans-63.7127.8-178.900000110.6K120 N121 T212K120-A209 HydrophobicContact CB-CB 3.95Å; K120-A209 WeakPolarHBondContact O-CB 3.09Å; N121-A209 VanDerWaalsContact OD1-CA 3.27Å; N121-A209 WeakPolarHBondContact OD1-CA 3.18Å; A209-T212 HydrophobicContact CB-CG2 3.89Å
210L78.7Confident62.5Low2 Ų278.8 Ų78.81%0.0146%0.459CS..SBendtrans-68.1-40.3178.6-65.7170.1000110.9F63 E67 D115 L116 N121 V208F63-L210 HydrophobicContact CE2-CD1 4.24Å; F63-L210 HydrophobicContact CZ-CD1 3.91Å; E67-L210 HydrophobicContact CB-CD2 4.4Å; E67-L210 HydrophobicContact CG-CD2 4.26Å; D115-L210 HydrophobicContact CB-CD1 4.42Å; L116-L210 HydrophobicContact CD2-CD1 3.84Å; L116-L210 HydrophobicContact CG-CD1 4.27Å; N121-L210 PolarHBondContact OD1-N 2.79Å; V208-L210 PolarHBondContact O-N 2.98Å
211L79.5Confident63.6Low14 Ų1475.8 Ų75.87%0.07345%0.45CS..SBendtrans-151128.5167.1-69.2174.3000108I79 L82 N121 A122 I125 A215 L216I79-L211 HydrophobicContact CG1-CD1 3.9Å; I79-L211 HydrophobicContact CG1-CD2 4.32Å; L82-L211 HydrophobicContact CD2-CD1 3.86Å; L82-L211 HydrophobicContact CD2-CG 4.22Å; N121-L211 CarbonylContact C-O 3.55Å; N121-L211 WeakPolarHBondContact CA-O 3.46Å; A122-L211 PolarHBondContact N-O 3.12Å; I125-L211 HydrophobicContact CD1-CD1 4.24Å; I125-L211 HydrophobicContact CG1-CB 4.36Å; I125-L211 HydrophobicContact CG1-CD1 4.45Å; L211-A215 HydrophobicContact CD2-CB 4.41Å; L211-L216 HydrophobicContact CB-CD1 3.84Å; L211-L216 HydrophobicContact CB-CG 4.42Å; L211-L216 HydrophobicContact CD1-CD1 3.77Å; L211-L216 HydrophobicContact CD1-CD2 4.29Å; L211-L216 HydrophobicContact CD1-CG 4.06Å; L211-L216 HydrophobicContact CG-CD1 4.45Å
212T78.5Confident64.5Low52 Ų5275.4 Ų75.432%0.31944%0.438SS..  trans-79.8160.6171.455.70000111A209 T214 A215 L216A209-T212 HydrophobicContact CB-CG2 3.89Å; T212-T214 WeakPolarHBondContact CB-OG1 3.32Å; T212-T214 PolarHBondContact O-N 3.36Å; T212-T214 PolarHBondContact OG1-OG1 3.08Å; T212-A215 WeakPolarHBondContact O-CB 3.41Å; T212-A215 PolarHBondContact O-N 3.21Å; T212-A215 PolarHBondContact OG1-N 2.75Å; T212-L216 PolarHBondContact O-N 3.47Å
213A72.8Confident65.6Low11 Ų1174.3 Ų74.39%0.09143%0.427CS..Hα-helixtrans-54.2-43.8174.200000111.7A215 L216 G217 E218 E220A213-A215 VanDerWaalsContact C-N 3.26Å; A213-A215 PolarHBondContact O-N 2.94Å; A213-L216 PolarHBondContact O-N 3.12Å; A213-G217 PolarHBondContact O-N 3.37Å; A213-E218 HydrophobicContact CB-CB 3.95Å; A213-E218 PolarHBondContact O-N 3.14Å; A213-E220 HydrophobicContact CB-CG 3.77Å
214T72.8Confident67.3Low108 Ų10871.7 Ų71.766%0.66340%0.403SS*.Hα-helixtrans-57.3-28.4172.747.10000115.1T212T212-T214 WeakPolarHBondContact CB-OG1 3.32Å; T212-T214 PolarHBondContact O-N 3.36Å; T212-T214 PolarHBondContact OG1-OG1 3.08Å
215A68.7Low69.1Low53 Ų5370 Ų7044%0.43838%0.383SS..Hα-helixtrans-81.8-20177.200000113.3L211 T212 A213L211-A215 HydrophobicContact CD2-CB 4.41Å; T212-A215 WeakPolarHBondContact O-CB 3.41Å; T212-A215 PolarHBondContact O-N 3.21Å; T212-A215 PolarHBondContact OG1-N 2.75Å; A213-A215 VanDerWaalsContact C-N 3.26Å; A213-A215 PolarHBondContact O-N 2.94Å
216L69.1Low70.4Confident54 Ų5466 Ų6628%0.28337%0.37SS..Hα-helixtrans-102-9178.3-85.6158.1000113.6I79 A122 I125 L211 T212 A213 E218I79-L216 HydrophobicContact CD1-CD2 3.88Å; I79-L216 HydrophobicContact CG1-CD2 4.14Å; I79-L216 HydrophobicContact CG2-CD2 4.08Å; A122-L216 HydrophobicContact CB-CD1 3.39Å; I125-L216 HydrophobicContact CD1-CD1 4.45Å; I125-L216 HydrophobicContact CG1-CD1 3.98Å; L211-L216 HydrophobicContact CB-CD1 3.84Å; L211-L216 HydrophobicContact CB-CG 4.42Å; L211-L216 HydrophobicContact CD1-CD1 3.77Å; L211-L216 HydrophobicContact CD1-CD2 4.29Å; L211-L216 HydrophobicContact CD1-CG 4.06Å; L211-L216 HydrophobicContact CG-CD1 4.45Å; T212-L216 PolarHBondContact O-N 3.47Å; A213-L216 PolarHBondContact O-N 3.12Å; L216-E218 VanDerWaalsContact C-N 3.32Å; L216-E218 HydrophobicContact CB-CG 4.32Å
217G68.2Low71.5Confident69 Ų6959 Ų5971%0.71134%0.338SS*.THydrogen-bonded Turntrans73.923.8-174.100000113.1A213A213-G217 PolarHBondContact O-N 3.37Å
218E71Confident72Confident46 Ų4656.6 Ų56.622%0.21533%0.331CS..  trans-74.9125.7169.9-69.7-179-177.900109.7L123 T124 A213 L216 E220L123-E218 WeakPolarHBondContact CB-OE2 3.22Å; L123-E218 PolarHBondContact N-OE1 2.63Å; L123-E218 PolarHBondContact N-OE2 3.19Å; T124-E218 VanDerWaalsContact CB-OE1 3.22Å; T124-E218 WeakPolarHBondContact CB-OE1 3.06Å; T124-E218 WeakPolarHBondContact CG2-OE1 3.21Å; T124-E218 PolarHBondContact N-OE1 2.98Å; T124-E218 PolarHBondContact OG1-OE1 3.32Å; A213-E218 HydrophobicContact CB-CB 3.95Å; A213-E218 PolarHBondContact O-N 3.14Å; L216-E218 VanDerWaalsContact C-N 3.32Å; L216-E218 HydrophobicContact CB-CG 4.32Å; E218-E220 PolarHBondContact O-N 2.96Å
219D64.6Low72.9Confident121 Ų12153.9 Ų53.965%0.64731%0.314SS*.  trans-59.6117.3169.6-94.4-37.7000110.1S221 F222D219-S221 PolarHBondContact O-N 3Å; D219-S221 VanDerWaalsContact O-N 3.15Å; D219-F222 WeakPolarHBondContact O-CD2 3.37Å
220E61Low73.7Confident113 Ų11353.1 Ų53.153%0.52831%0.308SS..THydrogen-bonded Turntrans-70.6-7.9177.7-68.2-161.416700113.5A213 E218 F222 K225A213-E220 HydrophobicContact CB-CG 3.77Å; E218-E220 PolarHBondContact O-N 2.96Å; E220-F222 PolarHBondContact O-N 3.18Å; E220-K225 WeakPolarHBondContact O-CE 3.46Å; E220-K225 PolarHBondContact O-NZ 3.28Å; E220-K225 VanDerWaalsContact O-NZ 3.13Å
221S56.6Low74.2Confident85 Ų8555.9 Ų55.959%0.59432%0.321SS*.THydrogen-bonded Turntrans-77.511.4-178.958.40000115.4D219 D223D219-S221 PolarHBondContact O-N 3Å; D219-S221 VanDerWaalsContact O-N 3.15Å; S221-D223 PolarHBondContact O-N 2.91Å
222F53.6Low74.7Confident122 Ų12255.7 Ų55.754%0.53532%0.321SS..  trans-68.295.1161.7-83.6-82.3000109.8D219 E220 D224D219-F222 WeakPolarHBondContact O-CD2 3.37Å; E220-F222 PolarHBondContact O-N 3.18Å; F222-D224 PolarHBondContact O-N 2.88Å; F222-D224 VanDerWaalsContact O-N 3.15Å
223D59.2Low75.4Confident102 Ų10253.2 Ų53.255%0.54531%0.306SS..SBendtrans-55.4-29.2-175.6-73.8-34.9000114.2S221 L467S221-D223 PolarHBondContact O-N 2.91Å; D223-L467 HydrophobicContact CB-CD2 3.72Å
224D73.1Confident76.3Confident21 Ų2152.8 Ų52.811%0.11230%0.302CS..  trans-123.782.8178-157.1-31.6000113.5F222 S226 L227 R312F222-D224 PolarHBondContact O-N 2.88Å; F222-D224 VanDerWaalsContact O-N 3.15Å; D224-S226 PolarHBondContact O-N 2.89Å; D224-S226 WeakPolarHBondContact OD1-CA 3.26Å; D224-S226 WeakPolarHBondContact OD1-CB 3.38Å; D224-S226 PolarHBondContact OD1-N 2.86Å; D224-L227 HydrophobicContact CB-CB 4.15Å; D224-L227 PolarHBondContact OD1-N 3.42Å; D224-R312 IonicContact OD1-CZ 3.31Å; D224-R312 IonicContact OD1-NE 3.99Å; D224-R312 IonicContact OD1-NH2 2.77Å; D224-R312 PolarHBondContact OD1-NH2 2.9Å; D224-R312 IonicContact OD2-CZ 2.71Å; D224-R312 IonicContact OD2-NE 3.14Å; D224-R312 PolarHBondContact OD2-NE 2.9Å; D224-R312 IonicContact OD2-NH2 3.49Å; D224-R312 PolarHBondContact OD2-NH2 2.91Å; D224-R312 VanDerWaalsContact OD2-NH2 3.1Å
225K82.2Confident77.1Confident89 Ų8949.6 Ų49.639%0.38728%0.279SS..Hα-helixtrans-67.2-22.8173.6-62.7173.9-173.3170.10112.3L123 E220 L229L123-K225 HydrophobicContact CD1-CB 4.47Å; E220-K225 WeakPolarHBondContact O-CE 3.46Å; E220-K225 PolarHBondContact O-NZ 3.28Å; E220-K225 VanDerWaalsContact O-NZ 3.13Å; K225-L229 WeakPolarHBondContact O-CD1 3.15Å; K225-L229 VanDerWaalsContact O-CG 3.24Å; K225-L229 WeakPolarHBondContact O-CG 3.41Å; K225-L229 PolarHBondContact O-N 3.06Å
226S85.4Confident78.2Confident14 Ų1448.6 Ų48.610%0.09827%0.265CS..Hα-helixtrans-72.5-46.5179-65.60000111.5E158 D224 V228 L229 L230 Y316E158-S226 WeakPolarHBondContact OE2-CB 3.46Å; E158-S226 PolarHBondContact OE2-OG 3.26Å; D224-S226 PolarHBondContact O-N 2.89Å; D224-S226 WeakPolarHBondContact OD1-CA 3.26Å; D224-S226 WeakPolarHBondContact OD1-CB 3.38Å; D224-S226 PolarHBondContact OD1-N 2.86Å; S226-V228 VanDerWaalsContact C-N 3.32Å; S226-V228 PolarHBondContact O-N 2.8Å; S226-L229 PolarHBondContact O-N 3.03Å; S226-L229 VanDerWaalsContact O-N 3.16Å; S226-L230 PolarHBondContact O-N 3.4Å; S226-Y316 VanDerWaalsContact CB-OH 3.26Å; S226-Y316 WeakPolarHBondContact CB-OH 3.48Å
227L85.6Confident79.2Confident17 Ų1746 Ų469%0.08925%0.252CS..Hα-helixtrans-58.3-44177.9-179.362.5000111.7D224 L229 L230 Q231 Y316 E319D224-L227 HydrophobicContact CB-CB 4.15Å; D224-L227 PolarHBondContact OD1-N 3.42Å; L227-L229 VanDerWaalsContact C-N 3.3Å; L227-L229 PolarHBondContact O-N 2.94Å; L227-L230 WeakPolarHBondContact O-CB 3.45Å; L227-L230 PolarHBondContact O-N 3.27Å; L227-Q231 WeakPolarHBondContact O-CG 3.38Å; L227-Q231 PolarHBondContact O-N 3.37Å; L227-Y316 HydrophobicContact CB-CD1 4.47Å; L227-Y316 HydrophobicContact CB-CE1 4.02Å; L227-Y316 HydrophobicContact CD1-CD1 3.89Å; L227-Y316 HydrophobicContact CD1-CE1 4.29Å; L227-E319 HydrophobicContact CD1-CB 4.13Å; L227-E319 HydrophobicContact CD1-CG 4.38Å
228V85.1Confident80.2Confident21 Ų2142.9 Ų42.913%0.12722%0.219CC..Hα-helixtrans-68.2-28.1179.9177.50000112.6L123 K127 S226 S232L123-V228 HydrophobicContact CD2-CB 4.23Å; L123-V228 HydrophobicContact CD2-CG1 3.72Å; L123-V228 HydrophobicContact CG-CG1 4.42Å; K127-V228 VanDerWaalsContact NZ-CG1 3.33Å; S226-V228 VanDerWaalsContact C-N 3.32Å; S226-V228 PolarHBondContact O-N 2.8Å; V228-S232 PolarHBondContact O-N 2.84Å; V228-S232 PolarHBondContact O-OG 2.69Å
229L90.1Very high80.8Confident2 Ų241.7 Ų41.71%0.0122%0.215CC..Hα-helixtrans-76.4-36.7171.5-68.5167.6000111.7L123 R126 I130 V156 K225 S226 L227 S232 L233L123-L229 HydrophobicContact CD1-CD1 4.39Å; L123-L229 HydrophobicContact CD1-CD2 3.86Å; L123-L229 HydrophobicContact CD1-CG 3.97Å; R126-L229 HydrophobicContact CB-CD2 4.18Å; I130-L229 HydrophobicContact CD1-CB 4.19Å; I130-L229 HydrophobicContact CD1-CD2 3.65Å; I130-L229 HydrophobicContact CD1-CG 4.49Å; V156-L229 HydrophobicContact CG2-CB 4.17Å; K225-L229 WeakPolarHBondContact O-CD1 3.15Å; K225-L229 VanDerWaalsContact O-CG 3.24Å; K225-L229 WeakPolarHBondContact O-CG 3.41Å; K225-L229 PolarHBondContact O-N 3.06Å; S226-L229 PolarHBondContact O-N 3.03Å; S226-L229 VanDerWaalsContact O-N 3.16Å; L227-L229 VanDerWaalsContact C-N 3.3Å; L227-L229 PolarHBondContact O-N 2.94Å; L229-S232 PolarHBondContact O-N 2.98Å; L229-L233 WeakPolarHBondContact O-CB 3.32Å; L229-L233 PolarHBondContact O-N 3.32Å
230L91.7Very high81.8Confident0 Ų036 Ų360%019%0.185CC..Hα-helixtrans-62.5-48.1173.5177.760.4000111.6V156 F159 S226 L227 S232 L233 L234 Y269 I273 Y316V156-L230 HydrophobicContact CG2-CB 4.21Å; F159-L230 HydrophobicContact CE2-CD1 4.27Å; F159-L230 HydrophobicContact CE2-CD2 4.2Å; F159-L230 HydrophobicContact CZ-CD2 4.34Å; S226-L230 PolarHBondContact O-N 3.4Å; L227-L230 WeakPolarHBondContact O-CB 3.45Å; L227-L230 PolarHBondContact O-N 3.27Å; L230-S232 PolarHBondContact O-N 2.86Å; L230-L233 PolarHBondContact O-N 2.71Å; L230-L234 HydrophobicContact CD1-CD1 4.05Å; L230-L234 HydrophobicContact CD1-CG 4.03Å; L230-L234 HydrophobicContact CG-CD1 4.09Å; L230-L234 HydrophobicContact CG-CG 4.46Å; L230-L234 WeakPolarHBondContact O-CG 3.42Å; L230-L234 PolarHBondContact O-N 3.14Å; L230-Y269 HydrophobicContact CD1-CD1 4.49Å; L230-I273 HydrophobicContact CD1-CD1 4.07Å; L230-I273 HydrophobicContact CD2-CD1 4.2Å; L230-Y316 HydrophobicContact CD2-CD1 3.86Å; L230-Y316 HydrophobicContact CD2-CG 4.23Å
231Q89.5Confident82.7Confident60 Ų6030.6 Ų30.628%0.2816%0.16SC..Hα-helixtrans-50.6-45.5171.9-77173.2-15.400112L227 H235 E319L227-Q231 WeakPolarHBondContact O-CG 3.38Å; L227-Q231 PolarHBondContact O-N 3.37Å; Q231-H235 WeakPolarHBondContact O-CB 3.35Å; Q231-H235 PolarHBondContact O-N 3.28Å; Q231-E319 HydrophobicContact CG-CG 3.62Å; Q231-E319 WeakPolarHBondContact CG-OE2 3.31Å; Q231-E319 PolarHBondContact NE2-OE2 3.13Å
232S89.2Confident83.7Confident9 Ų929.7 Ų29.76%0.06315%0.145CC..Hα-helixtrans-69.9-41.9-178-55.50000112K127 V228 L229 L230 F236K127-S232 WeakPolarHBondContact CD-OG 3.4Å; K127-S232 VanDerWaalsContact CE-OG 3.24Å; K127-S232 WeakPolarHBondContact CE-OG 3.43Å; K127-S232 WeakPolarHBondContact CG-OG 3.39Å; V228-S232 PolarHBondContact O-N 2.84Å; V228-S232 PolarHBondContact O-OG 2.69Å; L229-S232 PolarHBondContact O-N 2.98Å; L230-S232 PolarHBondContact O-N 2.86Å; S232-F236 WeakPolarHBondContact O-CB 3.48Å; S232-F236 WeakPolarHBondContact O-CD2 3.35Å; S232-F236 WeakPolarHBondContact O-CG 3.48Å; S232-F236 PolarHBondContact O-N 3.3Å
233L93.4Very high85.2Confident0 Ų027.7 Ų27.70%014%0.136CC..Hα-helixtrans-57.9-51.7173166.859000111.3I130 L134 F152 L155 V156 L229 L230 H235 F236 L237 Y269I130-L233 HydrophobicContact CG2-CB 4.34Å; L134-L233 HydrophobicContact CD1-CD1 3.92Å; L134-L233 HydrophobicContact CD2-CD1 4.05Å; F152-L233 HydrophobicContact CE2-CD1 4.38Å; L155-L233 HydrophobicContact CD1-CD1 3.89Å; V156-L233 HydrophobicContact CG2-CD2 4.37Å; L229-L233 WeakPolarHBondContact O-CB 3.32Å; L229-L233 PolarHBondContact O-N 3.32Å; L230-L233 PolarHBondContact O-N 2.71Å; L233-H235 PolarHBondContact O-N 2.91Å; L233-F236 PolarHBondContact O-N 3.34Å; L233-L237 VanDerWaalsContact O-CB 3.25Å; L233-L237 WeakPolarHBondContact O-CB 3.41Å; L233-L237 PolarHBondContact O-N 2.92Å; L233-Y269 HydrophobicContact CD2-CD1 3.95Å; L233-Y269 HydrophobicContact CD2-CD2 4.44Å; L233-Y269 HydrophobicContact CD2-CE1 3.38Å; L233-Y269 HydrophobicContact CD2-CE2 3.95Å; L233-Y269 HydrophobicContact CD2-CG 4.46Å; L233-Y269 VanDerWaalsContact CD2-CZ 3.41Å
234L92.1Very high86.4Confident2 Ų222.9 Ų22.91%0.0111%0.111CC..Hα-helixtrans-62.5-42.2-178.6-68.4176.8000111.8L230 L265 E319 F320 W323L230-L234 HydrophobicContact CD1-CD1 4.05Å; L230-L234 HydrophobicContact CD1-CG 4.03Å; L230-L234 HydrophobicContact CG-CD1 4.09Å; L230-L234 HydrophobicContact CG-CG 4.46Å; L230-L234 WeakPolarHBondContact O-CG 3.42Å; L230-L234 PolarHBondContact O-N 3.14Å; L234-L265 HydrophobicContact CD2-CD1 4.25Å; L234-L265 HydrophobicContact CD2-CD2 4.2Å; L234-E319 HydrophobicContact CD1-CG 4.47Å; L234-F320 HydrophobicContact CD1-CB 4.45Å; L234-F320 HydrophobicContact CD1-CD2 4.16Å; L234-F320 HydrophobicContact CD2-CD2 3.79Å; L234-F320 HydrophobicContact CD2-CE2 3.76Å; L234-W323 VanDerWaalsContact C-NE1 3.32Å; L234-W323 HydrophobicContact CB-CD2 4.03Å; L234-W323 HydrophobicContact CB-CG 3.86Å; L234-W323 HydrophobicContact CD1-CB 4.14Å; L234-W323 HydrophobicContact CD1-CD2 4.43Å; L234-W323 HydrophobicContact CD1-CG 4.21Å; L234-W323 HydrophobicContact CD2-CD2 4.03Å; L234-W323 HydrophobicContact CD2-CE3 4.02Å; L234-W323 HydrophobicContact CD2-CH2 4.35Å; L234-W323 HydrophobicContact CD2-CZ2 4.34Å; L234-W323 HydrophobicContact CD2-CZ3 4.2Å; L234-W323 HydrophobicContact CG-CD2 4.39Å; L234-W323 HydrophobicContact CG-CG 4.44Å; L234-W323 PolarHBondContact O-NE1 3.31Å
235H90.4Very high86.8Confident41 Ų4123.9 Ų23.919%0.1911%0.114CC..Hα-helixtrans-62.9-54.6175.417760000112.5Q231 L233 L237 V238 S239 F478 Y480Q231-H235 WeakPolarHBondContact O-CB 3.35Å; Q231-H235 PolarHBondContact O-N 3.28Å; L233-H235 PolarHBondContact O-N 2.91Å; H235-L237 VanDerWaalsContact C-N 3.29Å; H235-L237 PolarHBondContact O-N 3.33Å; H235-V238 PolarHBondContact O-N 3.03Å; H235-S239 PolarHBondContact CD2-OG 3.09Å; H235-S239 VanDerWaalsContact CE1-CB 3.49Å; H235-S239 WeakPolarHBondContact CE1-CB 3.32Å; H235-S239 PolarHBondContact CE1-OG 2.7Å; H235-S239 PolarHBondContact NE2-OG 3.5Å; H235-S239 PolarHBondContact O-N 3.48Å; H235-S239 PolarHBondContact O-OG 2.98Å; H235-S239 VanDerWaalsContact O-OG 3.12Å; H235-F478 HydrophobicContact CB-CD2 4.39Å; H235-F478 HydrophobicContact CB-CE1 4.11Å; H235-F478 HydrophobicContact CB-CE2 3.95Å; H235-F478 HydrophobicContact CB-CZ 3.79Å; H235-F478 AromaticContact CE1-CD1 3.64Å; H235-F478 AromaticContact CG-CD1 3.88Å; H235-F478 AromaticContact CG-CE1 3.69Å; H235-F478 AromaticContact CG-CZ 3.92Å; H235-F478 AromaticContact ND1-CD1 3.27Å; H235-F478 VanDerWaalsContact ND1-CD1 3.27Å; H235-F478 WeakPolarHBondContact ND1-CD1 3.21Å; H235-F478 AromaticContact ND1-CD2 3.99Å; H235-F478 AromaticContact ND1-CE1 3.59Å; H235-F478 AromaticContact ND1-CG 3.49Å; H235-F478 WeakPolarHBondContact ND1-CG 3.25Å; H235-Y480 AromaticContact ND1-CE1 3.93Å; H235-Y480 AromaticContact ND1-CZ 3.86Å; H235-Y480 PolarHBondContact ND1-OH 2.87Å; H235-Y480 VanDerWaalsContact ND1-OH 3.14Å
236F91.6Very high86.8Confident32 Ų3220.8 Ų20.814%0.1410%0.1CC..Hα-helixtrans-69-24.6-174.9-64.3-45000113.4K127 I130 R131 L134 S232 L233 V238 E240K127-F236 HydrophobicContact CB-CE2 4.5Å; K127-F236 WeakPolarHBondContact O-CE2 3.33Å; I130-F236 HydrophobicContact CG2-CD2 4.24Å; R131-F236 HydrophobicContact CB-CD1 4.05Å; R131-F236 HydrophobicContact CB-CD2 3.68Å; R131-F236 HydrophobicContact CB-CE1 4.17Å; R131-F236 HydrophobicContact CB-CE2 3.81Å; R131-F236 HydrophobicContact CB-CG 3.84Å; R131-F236 HydrophobicContact CB-CZ 4.06Å; R131-F236 HydrophobicContact CG-CB 4.49Å; R131-F236 HydrophobicContact CG-CD1 3.67Å; R131-F236 HydrophobicContact CG-CD2 4.23Å; R131-F236 HydrophobicContact CG-CE1 3.88Å; R131-F236 HydrophobicContact CG-CE2 4.42Å; R131-F236 HydrophobicContact CG-CG 3.88Å; R131-F236 HydrophobicContact CG-CZ 4.26Å; L134-F236 HydrophobicContact CD1-CB 3.67Å; S232-F236 WeakPolarHBondContact O-CB 3.48Å; S232-F236 WeakPolarHBondContact O-CD2 3.35Å; S232-F236 WeakPolarHBondContact O-CG 3.48Å; S232-F236 PolarHBondContact O-N 3.3Å; L233-F236 PolarHBondContact O-N 3.34Å; F236-V238 PolarHBondContact O-N 3.37Å; F236-E240 HydrophobicContact CB-CG 3.93Å; F236-E240 HydrophobicContact CD1-CG 4.13Å; F236-E240 HydrophobicContact CG-CG 4.4Å; F236-E240 VanDerWaalsContact O-CB 3.3Å; F236-E240 WeakPolarHBondContact O-CB 3.47Å; F236-E240 VanDerWaalsContact O-CG 3.3Å; F236-E240 WeakPolarHBondContact O-CG 3.34Å; F236-E240 PolarHBondContact O-N 2.88Å
237L89.8Confident86.2Confident1 Ų124 Ų241%0.00512%0.123CC..Hα-helixtrans-58-29.8174-175.1144.5000112.5L233 H235 L258 L261 L265 W323L233-L237 VanDerWaalsContact O-CB 3.25Å; L233-L237 WeakPolarHBondContact O-CB 3.41Å; L233-L237 PolarHBondContact O-N 2.92Å; H235-L237 VanDerWaalsContact C-N 3.29Å; H235-L237 PolarHBondContact O-N 3.33Å; L237-L258 HydrophobicContact CD2-CD1 4.24Å; L237-L261 HydrophobicContact CD1-CB 4.11Å; L237-L261 HydrophobicContact CD2-CB 4.38Å; L237-L261 HydrophobicContact CG-CB 3.92Å; L237-L261 HydrophobicContact CG-CD1 4.15Å; L237-L265 HydrophobicContact CD1-CB 4.04Å; L237-L265 HydrophobicContact CD1-CD1 4.1Å; L237-L265 HydrophobicContact CD1-CD2 3.96Å; L237-L265 HydrophobicContact CD1-CG 4.27Å; L237-W323 HydrophobicContact CD2-CH2 4.38Å; L237-W323 HydrophobicContact CD2-CZ2 4.15Å
238V88.3Confident85.5Confident2 Ų228.8 Ų28.81%0.01215%0.145CC..Hα-helixtrans-102.2-50.51771770000111.4H235 F236 E240 S241 L258 W323 F327 Y480 V484 V488H235-V238 PolarHBondContact O-N 3.03Å; F236-V238 PolarHBondContact O-N 3.37Å; V238-E240 PolarHBondContact O-N 2.69Å; V238-E240 VanDerWaalsContact O-N 3.11Å; V238-S241 PolarHBondContact O-N 3.03Å; V238-S241 VanDerWaalsContact O-N 3.14Å; V238-S241 PolarHBondContact O-OG 3.13Å; V238-L258 HydrophobicContact CG2-CD1 4.35Å; V238-W323 HydrophobicContact CG2-CZ2 3.86Å; V238-F327 HydrophobicContact CB-CZ 4.13Å; V238-F327 HydrophobicContact CG1-CE1 3.89Å; V238-F327 HydrophobicContact CG1-CZ 3.93Å; V238-F327 HydrophobicContact CG2-CE1 4.4Å; V238-F327 HydrophobicContact CG2-CE2 4.34Å; V238-F327 HydrophobicContact CG2-CZ 3.78Å; V238-Y480 HydrophobicContact CB-CE1 4.13Å; V238-Y480 HydrophobicContact CG1-CD1 3.98Å; V238-Y480 HydrophobicContact CG1-CE1 3.9Å; V238-V484 HydrophobicContact CG1-CG1 3.33Å; V238-V488 HydrophobicContact CG1-CG2 3.82Å; V238-V488 HydrophobicContact CG2-CG2 4.15Å
239S84.6Confident84.4Confident21 Ų2133.9 Ų33.915%0.14717%0.171CC..Hα-helixtrans-68.5-13.3-171660000114.9H235 K243H235-S239 PolarHBondContact CD2-OG 3.09Å; H235-S239 VanDerWaalsContact CE1-CB 3.49Å; H235-S239 WeakPolarHBondContact CE1-CB 3.32Å; H235-S239 PolarHBondContact CE1-OG 2.7Å; H235-S239 PolarHBondContact NE2-OG 3.5Å; H235-S239 PolarHBondContact O-N 3.48Å; H235-S239 PolarHBondContact O-OG 2.98Å; H235-S239 VanDerWaalsContact O-OG 3.12Å; S239-K243 WeakPolarHBondContact O-CE 3.37Å; S239-K243 PolarHBondContact O-NZ 3.01Å
240E85.2Confident83.5Confident1 Ų139.5 Ų39.51%0.00519%0.192CC..THydrogen-bonded Turntrans-98.9-11.4176.1-54.6-51.2139.600114.2R131 I135 Q138 F236 V238 F242 K243R131-E240 HydrophobicContact CG-CG 3.78Å; R131-E240 IonicContact CZ-OE1 3.97Å; R131-E240 IonicContact CZ-OE2 2.79Å; R131-E240 VanDerWaalsContact CZ-OE2 3.27Å; R131-E240 IonicContact NE-OE1 2.75Å; R131-E240 PolarHBondContact NE-OE1 2.92Å; R131-E240 IonicContact NE-OE2 3.1Å; R131-E240 PolarHBondContact NE-OE2 2.97Å; R131-E240 VanDerWaalsContact NE-OE2 3.14Å; R131-E240 IonicContact NH2-OE1 2.79Å; R131-E240 PolarHBondContact NH2-OE1 3.45Å; R131-E240 IonicContact NH2-OE2 2.83Å; R131-E240 PolarHBondContact NH2-OE2 3.48Å; I135-E240 HydrophobicContact CD1-CG 4.47Å; I135-E240 HydrophobicContact CG1-CB 3.79Å; I135-E240 HydrophobicContact CG1-CG 4.14Å; Q138-E240 PolarHBondContact NE2-O 3.46Å; F236-E240 HydrophobicContact CB-CG 3.93Å; F236-E240 HydrophobicContact CD1-CG 4.13Å; F236-E240 HydrophobicContact CG-CG 4.4Å; F236-E240 VanDerWaalsContact O-CB 3.3Å; F236-E240 WeakPolarHBondContact O-CB 3.47Å; F236-E240 VanDerWaalsContact O-CG 3.3Å; F236-E240 WeakPolarHBondContact O-CG 3.34Å; F236-E240 PolarHBondContact O-N 2.88Å; V238-E240 PolarHBondContact O-N 2.69Å; V238-E240 VanDerWaalsContact O-N 3.11Å; E240-F242 VanDerWaalsContact C-N 3.26Å; E240-F242 PolarHBondContact O-N 3.44Å; E240-K243 PolarHBondContact O-N 3.07Å; E240-K243 IonicContact OE1-NZ 2.84Å; E240-K243 PolarHBondContact OE1-NZ 3.22Å; E240-K243 VanDerWaalsContact OE2-CD 3.32Å; E240-K243 WeakPolarHBondContact OE2-CD 3.29Å; E240-K243 IonicContact OE2-NZ 3.3Å; E240-K243 PolarHBondContact OE2-NZ 3.04Å
241S79.1Confident82.7Confident0 Ų043.5 Ų43.50%021%0.208CC..THydrogen-bonded Turntrans-67.5-22.4-175.861.60000114.4V238 H254V238-S241 PolarHBondContact O-N 3.03Å; V238-S241 VanDerWaalsContact O-N 3.14Å; V238-S241 PolarHBondContact O-OG 3.13Å; S241-H254 PolarHBondContact O-ND1 2.96Å
242F79.4Confident82.1Confident66 Ų6643.9 Ų43.929%0.28921%0.209SC..THydrogen-bonded Turntrans-97.4-4.5-176.7-74.5-94000115.3E240 V484 M487E240-F242 VanDerWaalsContact C-N 3.26Å; E240-F242 PolarHBondContact O-N 3.44Å; F242-V484 HydrophobicContact CD2-CB 4.33Å; F242-V484 HydrophobicContact CD2-CG1 4.14Å; F242-V484 HydrophobicContact CD2-CG2 3.74Å; F242-V484 HydrophobicContact CE1-CG2 4.49Å; F242-V484 HydrophobicContact CE2-CB 3.88Å; F242-V484 HydrophobicContact CE2-CG1 3.74Å; F242-V484 HydrophobicContact CE2-CG2 3.74Å; F242-V484 HydrophobicContact CG-CG2 4.14Å; F242-V484 HydrophobicContact CZ-CB 4.25Å; F242-V484 HydrophobicContact CZ-CG2 4.11Å; F242-M487 HydrophobicContact CD2-CE 4.25Å; F242-M487 HydrophobicContact CE1-CE 4.14Å; F242-M487 HydrophobicContact CE1-SD 3.92Å; F242-M487 HydrophobicContact CE2-CB 4.43Å; F242-M487 HydrophobicContact CE2-CE 3.42Å; F242-M487 VanDerWaalsContact CE2-CE 3.42Å; F242-M487 HydrophobicContact CE2-SD 4.21Å; F242-M487 HydrophobicContact CZ-CB 3.66Å; F242-M487 HydrophobicContact CZ-CE 3.37Å; F242-M487 HydrophobicContact CZ-CG 4.21Å; F242-M487 HydrophobicContact CZ-SD 3.51Å; F242-M487 VanDerWaalsContact CZ-SD 3.51Å
243K83.4Confident81.6Confident81 Ų8146 Ų4635%0.35222%0.218SC..  trans-94.7-4.7-170.9-63.2178.6-168.4156.40114.5L94 S239 E240L94-K243 HydrophobicContact CD1-CB 4.27Å; L94-K243 HydrophobicContact CD2-CB 3.95Å; L94-K243 WeakPolarHBondContact CD2-O 3.32Å; S239-K243 WeakPolarHBondContact O-CE 3.37Å; S239-K243 PolarHBondContact O-NZ 3.01Å; E240-K243 PolarHBondContact O-N 3.07Å; E240-K243 IonicContact OE1-NZ 2.84Å; E240-K243 PolarHBondContact OE1-NZ 3.22Å; E240-K243 VanDerWaalsContact OE2-CD 3.32Å; E240-K243 WeakPolarHBondContact OE2-CD 3.29Å; E240-K243 IonicContact OE2-NZ 3.3Å; E240-K243 PolarHBondContact OE2-NZ 3.04Å
244I86.1Confident81.1Confident1 Ų146.7 Ų46.71%0.00522%0.221CC..  trans-83.6124.1-175.6-64.7162.3000109.2L94 P97 I135 Q138 I139 W246 H254L94-I244 HydrophobicContact CD2-CG1 3.98Å; P97-I244 HydrophobicContact CB-CG2 3.61Å; P97-I244 HydrophobicContact CG-CG2 3.86Å; I135-I244 HydrophobicContact CG2-CG1 4.28Å; Q138-I244 HydrophobicContact CG-CD1 3.55Å; I139-I244 HydrophobicContact CD1-CD1 4.02Å; I139-I244 HydrophobicContact CD1-CG1 4.17Å; I139-I244 HydrophobicContact CD1-CG2 4.22Å; I139-I244 HydrophobicContact CG1-CD1 3.54Å; I139-I244 HydrophobicContact CG1-CG1 4.17Å; I139-I244 HydrophobicContact CG1-CG2 4.11Å; I244-W246 HydrophobicContact CG2-CD2 4.49Å; I244-W246 HydrophobicContact CG2-CG 4.34Å; I244-W246 PolarHBondContact O-N 2.93Å; I244-H254 PolarHBondContact O-CE1 3.38Å
245E80.7Confident80.7Confident41 Ų4146.8 Ų46.819%0.19222%0.222CC..  trans-98.585.9-175.8-65.6169.5-135.700108.9D41 Q45 K91 L94 L95 P97D41-E245 WeakPolarHBondContact CB-OE2 3.11Å; Q45-E245 PolarHBondContact NE2-O 2.67Å; K91-E245 IonicContact NZ-OE1 3.81Å; K91-E245 PolarHBondContact NZ-OE1 3.4Å; L94-E245 PolarHBondContact O-N 3.38Å; L95-E245 HydrophobicContact CD2-CB 4.08Å; L95-E245 HydrophobicContact CD2-CG 4.24Å; L95-E245 WeakPolarHBondContact CD2-OE2 3.32Å; P97-E245 WeakPolarHBondContact CG-O 2.95Å
246W82.1Confident80.3Confident24 Ų2449.1 Ų49.19%0.09123%0.234CC..  trans-69.8139.1169.8-67.5101.4000110.7P97 E98 H101 I139 I244 Q248 L249P97-W246 HydrophobicContact CB-CD2 3.81Å; P97-W246 HydrophobicContact CB-CE3 3.7Å; P97-W246 HydrophobicContact CB-CH2 3.93Å; P97-W246 HydrophobicContact CB-CZ2 4.02Å; P97-W246 HydrophobicContact CB-CZ3 3.77Å; P97-W246 HydrophobicContact CG-CD2 3.73Å; P97-W246 HydrophobicContact CG-CE3 3.63Å; P97-W246 HydrophobicContact CG-CG 4.11Å; P97-W246 HydrophobicContact CG-CZ3 4.17Å; E98-W246 HydrophobicContact CG-CE3 4.1Å; E98-W246 HydrophobicContact CG-CZ3 4.16Å; H101-W246 HydrophobicContact CB-CH2 4.06Å; H101-W246 HydrophobicContact CB-CZ3 4.46Å; I139-W246 HydrophobicContact CG2-CH2 4.18Å; I139-W246 HydrophobicContact CG2-CZ2 4.37Å; I244-W246 HydrophobicContact CG2-CD2 4.49Å; I244-W246 HydrophobicContact CG2-CG 4.34Å; I244-W246 PolarHBondContact O-N 2.93Å; W246-Q248 PolarHBondContact O-N 2.86Å; W246-Q248 VanDerWaalsContact O-N 3.09Å; W246-L249 PolarHBondContact O-N 2.64Å
247S71.9Confident80.1Confident83 Ų8348.1 Ų48.158%0.5823%0.23SC*.SBendtrans-61.1-17.4178.659.30000114.5E98E98-S247 VanDerWaalsContact OE1-CB 3.22Å; E98-S247 WeakPolarHBondContact OE1-CB 3.27Å; E98-S247 PolarHBondContact OE1-N 3.41Å; E98-S247 PolarHBondContact OE1-OG 3.33Å
248Q72.4Confident80Confident117 Ų11748.2 Ų48.255%0.54723%0.23SC..SBendtrans-125.494.1162.1-66.2-173.510.900108.3W246 R250 Q253W246-Q248 PolarHBondContact O-N 2.86Å; W246-Q248 VanDerWaalsContact O-N 3.09Å; Q248-R250 PolarHBondContact O-N 3.21Å; Q248-Q253 PolarHBondContact O-OE1 3.46Å
249L60.7Low80.1Confident128 Ų12851.1 Ų51.167%0.6724%0.241SC*.  trans-66.495.4-176.2-153.688.9000111.2W246W246-L249 PolarHBondContact O-N 2.64Å
250R71.7Confident80.4Confident120 Ų12050.7 Ų50.745%0.45324%0.237SC..  trans-111.7128.3177.6-61.5-172.9-166.3-157.84.8110.8Q248 E252 Q253Q248-R250 PolarHBondContact O-N 3.21Å; R250-E252 IonicContact NH1-OE2 2.71Å; R250-E252 PolarHBondContact O-N 3.11Å; R250-Q253 HydrophobicContact CB-CG 4.28Å; R250-Q253 WeakPolarHBondContact O-CB 3.04Å; R250-Q253 PolarHBondContact O-N 2.88Å
251Y75.9Confident80.8Confident84 Ų8450.6 Ų50.633%0.32924%0.236SC..Hα-helixtrans-52-40173.6-177.1-103.1000112.3Q253 H254 L255 M487 E490Y251-Q253 PolarHBondContact O-N 2.96Å; Y251-H254 PolarHBondContact O-N 3.14Å; Y251-L255 HydrophobicContact CE1-CD2 4.4Å; Y251-L255 WeakPolarHBondContact O-CB 3.37Å; Y251-L255 PolarHBondContact O-N 2.95Å; Y251-M487 HydrophobicContact CD2-SD 4.43Å; Y251-M487 HydrophobicContact CE2-CB 4.22Å; Y251-M487 HydrophobicContact CE2-CG 4.03Å; Y251-M487 HydrophobicContact CE2-SD 4.01Å; Y251-M487 WeakPolarHBondContact OH-CA 3.17Å; Y251-E490 VanDerWaalsContact CE1-OE1 3.29Å; Y251-E490 WeakPolarHBondContact CE1-OE1 3.1Å; Y251-E490 PolarHBondContact OH-OE1 3.29Å
252E75.7Confident81.4Confident67 Ų6751.2 Ų51.231%0.31324%0.239SC..Hα-helixtrans-52-36.8175.5-55174.3131.500113.7R250 M256R250-E252 IonicContact NH1-OE2 2.71Å; R250-E252 PolarHBondContact O-N 3.11Å; E252-M256 WeakPolarHBondContact O-CB 3.42Å; E252-M256 PolarHBondContact O-N 3.49Å; E252-M256 VanDerWaalsContact O-N 3.08Å
253Q79.3Confident81.9Confident55 Ų5549.4 Ų49.426%0.25723%0.231SC..Hα-helixtrans-71.7-51.7179.8-71.7176.8-33.400110.5Q248 R250 Y251 L255 M256 Q257Q248-Q253 PolarHBondContact O-OE1 3.46Å; R250-Q253 HydrophobicContact CB-CG 4.28Å; R250-Q253 WeakPolarHBondContact O-CB 3.04Å; R250-Q253 PolarHBondContact O-N 2.88Å; Y251-Q253 PolarHBondContact O-N 2.96Å; Q253-L255 VanDerWaalsContact C-N 3.27Å; Q253-L255 PolarHBondContact O-N 2.77Å; Q253-M256 PolarHBondContact O-N 3.22Å; Q253-M256 VanDerWaalsContact O-N 3.12Å; Q253-Q257 VanDerWaalsContact O-CG 3.26Å; Q253-Q257 WeakPolarHBondContact O-CG 3.49Å; Q253-Q257 PolarHBondContact O-N 3.01Å
254H83.1Confident82.3Confident13 Ų1347.9 Ų47.96%0.0623%0.225CC..Hα-helixtrans-57.9-40.5177.1-67-83.2000112.2S241 I244 Y251 Q257 L258 M487S241-H254 PolarHBondContact O-ND1 2.96Å; I244-H254 PolarHBondContact O-CE1 3.38Å; Y251-H254 PolarHBondContact O-N 3.14Å; H254-Q257 PolarHBondContact O-N 3.11Å; H254-L258 PolarHBondContact O-N 3.31Å; H254-M487 HydrophobicContact CB-CE 3.9Å; H254-M487 HydrophobicContact CB-SD 3.67Å; H254-M487 VanDerWaalsContact O-CE 3.32Å; H254-M487 WeakPolarHBondContact O-CE 3.36Å
255L83.6Confident82.6Confident4 Ų447.9 Ų47.92%0.02123%0.225CC..Hα-helixtrans-61.1-46.3175.2179.163.3000111.6Y251 Q253 Q257 L258 W259 F386 M487 E490 V491Y251-L255 HydrophobicContact CE1-CD2 4.4Å; Y251-L255 WeakPolarHBondContact O-CB 3.37Å; Y251-L255 PolarHBondContact O-N 2.95Å; Q253-L255 VanDerWaalsContact C-N 3.27Å; Q253-L255 PolarHBondContact O-N 2.77Å; L255-Q257 VanDerWaalsContact C-N 3.34Å; L255-Q257 PolarHBondContact O-N 2.78Å; L255-L258 PolarHBondContact O-N 3.04Å; L255-W259 VanDerWaalsContact O-CB 3.29Å; L255-W259 WeakPolarHBondContact O-CB 3.18Å; L255-W259 PolarHBondContact O-N 2.75Å; L255-F386 HydrophobicContact CD1-CE1 4.46Å; L255-F386 HydrophobicContact CD2-CB 4.01Å; L255-F386 HydrophobicContact CD2-CD1 3.67Å; L255-F386 HydrophobicContact CD2-CD2 3.71Å; L255-F386 HydrophobicContact CD2-CE1 3.99Å; L255-F386 HydrophobicContact CD2-CE2 4.03Å; L255-F386 HydrophobicContact CD2-CG 3.52Å; L255-F386 HydrophobicContact CD2-CZ 4.16Å; L255-F386 HydrophobicContact CG-CD1 4.21Å; L255-F386 HydrophobicContact CG-CD2 4.1Å; L255-F386 HydrophobicContact CG-CE1 3.99Å; L255-F386 HydrophobicContact CG-CE2 3.89Å; L255-F386 HydrophobicContact CG-CG 4.26Å; L255-F386 HydrophobicContact CG-CZ 3.83Å; L255-M487 HydrophobicContact CB-CG 4.04Å; L255-M487 HydrophobicContact CB-SD 4.15Å; L255-M487 HydrophobicContact CD1-CG 3.64Å; L255-M487 HydrophobicContact CG-CG 4.44Å; L255-M487 PolarHBondContact N-SD 3.4Å; L255-M487 VanDerWaalsContact N-SD 3.43Å; L255-E490 HydrophobicContact CD1-CB 3.71Å; L255-E490 WeakPolarHBondContact CD2-OE2 3.34Å; L255-V491 HydrophobicContact CD1-CG2 3.77Å
256M82.3Confident83Confident90 Ų9047.4 Ų47.444%0.44322%0.222SC..Hα-helixtrans-67.2-32.5177-172.6161.751.800112.9E252 Q253 F260 F386E252-M256 WeakPolarHBondContact O-CB 3.42Å; E252-M256 PolarHBondContact O-N 3.49Å; E252-M256 VanDerWaalsContact O-N 3.08Å; Q253-M256 PolarHBondContact O-N 3.22Å; Q253-M256 VanDerWaalsContact O-N 3.12Å; M256-F260 WeakPolarHBondContact O-CB 3.33Å; M256-F260 PolarHBondContact O-N 3.23Å; M256-F386 HydrophobicContact CB-CE2 4.07Å
257Q86.1Confident83.1Confident11 Ų1150.8 Ų50.85%0.05124%0.239CC..Hα-helixtrans-66.8-47.6174.1-70.4-173.9-7200111.8Q138 Q253 H254 L255 F260 L261Q138-Q257 HydrophobicContact CB-CB 4.11Å; Q138-Q257 HydrophobicContact CG-CB 4.37Å; Q138-Q257 WeakPolarHBondContact O-CG 3.36Å; Q138-Q257 PolarHBondContact O-NE2 3.01Å; Q253-Q257 VanDerWaalsContact O-CG 3.26Å; Q253-Q257 WeakPolarHBondContact O-CG 3.49Å; Q253-Q257 PolarHBondContact O-N 3.01Å; H254-Q257 PolarHBondContact O-N 3.11Å; L255-Q257 VanDerWaalsContact C-N 3.34Å; L255-Q257 PolarHBondContact O-N 2.78Å; Q257-F260 PolarHBondContact O-N 3.48Å; Q257-L261 PolarHBondContact O-N 3.04Å; Q257-L261 VanDerWaalsContact O-N 3.1Å
258L89.5Confident83.9Confident4 Ų447 Ų472%0.02121%0.212CC..Hα-helixtrans-65-41.7175.9179.564.4000111.8L237 V238 H254 L255 F260 L261 F262 M487 V488 V491L237-L258 HydrophobicContact CD2-CD1 4.24Å; V238-L258 HydrophobicContact CG2-CD1 4.35Å; H254-L258 PolarHBondContact O-N 3.31Å; L255-L258 PolarHBondContact O-N 3.04Å; L258-F260 VanDerWaalsContact C-N 3.35Å; L258-F260 PolarHBondContact O-N 2.85Å; L258-L261 PolarHBondContact O-N 3.39Å; L258-F262 WeakPolarHBondContact O-CB 3.42Å; L258-F262 PolarHBondContact O-N 3.27Å; L258-M487 HydrophobicContact CB-CE 3.74Å; L258-M487 HydrophobicContact CD2-CB 4.44Å; L258-M487 HydrophobicContact CD2-CE 3.6Å; L258-M487 HydrophobicContact CD2-CG 4.33Å; L258-M487 HydrophobicContact CG-CE 4.3Å; L258-V488 HydrophobicContact CD2-CB 4.48Å; L258-V488 HydrophobicContact CD2-CG2 3.76Å; L258-V491 HydrophobicContact CD2-CG2 4.17Å; L258-V491 HydrophobicContact CG-CG2 4.17Å
259W89.6Confident84.9Confident63 Ų6341.4 Ų41.424%0.23919%0.186CC..Hα-helixtrans-57.5-45.8173.4172.982.5000111.8L255 L261 F262 E263 F386 I390 V491L255-W259 VanDerWaalsContact O-CB 3.29Å; L255-W259 WeakPolarHBondContact O-CB 3.18Å; L255-W259 PolarHBondContact O-N 2.75Å; W259-L261 PolarHBondContact O-N 3.43Å; W259-F262 PolarHBondContact O-N 2.88Å; W259-E263 HydrophobicContact CD2-CG 4.2Å; W259-E263 HydrophobicContact CZ2-CG 3.83Å; W259-E263 PolarHBondContact O-N 3.26Å; W259-F386 HydrophobicContact CB-CZ 4Å; W259-F386 HydrophobicContact CG-CZ 4.09Å; W259-I390 HydrophobicContact CZ2-CD1 4.47Å; W259-V491 HydrophobicContact CB-CG1 4.48Å; W259-V491 HydrophobicContact CB-CG2 4.1Å
260F91.2Very high86.3Confident11 Ų1135.4 Ų35.45%0.04816%0.155CC..Hα-helixtrans-60.3-44.8176.6167.8-95.1000112.2Y137 G141 L142 A144 M256 Q257 L258 K264Y137-F260 AromaticContact CD1-CE1 3.92Å; Y137-F260 HydrophobicContact CD1-CE1 3.92Å; Y137-F260 HydrophobicContact CD2-CE1 4.16Å; Y137-F260 HydrophobicContact CD2-CZ 4.35Å; Y137-F260 AromaticContact CE1-CE1 3.74Å; Y137-F260 HydrophobicContact CE1-CE1 3.74Å; Y137-F260 HydrophobicContact CE1-CZ 4.16Å; Y137-F260 AromaticContact CE2-CE1 3.99Å; Y137-F260 HydrophobicContact CE2-CE1 3.99Å; Y137-F260 AromaticContact CE2-CZ 3.83Å; Y137-F260 HydrophobicContact CE2-CZ 3.83Å; Y137-F260 HydrophobicContact CG-CE1 4.13Å; Y137-F260 AromaticContact CZ-CE1 3.79Å; Y137-F260 AromaticContact CZ-CZ 3.73Å; Y137-F260 WeakPolarHBondContact O-CE1 3.12Å; G141-F260 WeakPolarHBondContact O-CE2 3.34Å; G141-F260 WeakPolarHBondContact O-CZ 3.33Å; L142-F260 HydrophobicContact CD2-CD2 4.35Å; A144-F260 HydrophobicContact CB-CZ 4.21Å; M256-F260 WeakPolarHBondContact O-CB 3.33Å; M256-F260 PolarHBondContact O-N 3.23Å; Q257-F260 PolarHBondContact O-N 3.48Å; L258-F260 VanDerWaalsContact C-N 3.35Å; L258-F260 PolarHBondContact O-N 2.85Å; F260-K264 HydrophobicContact CD2-CG 4.41Å; F260-K264 HydrophobicContact CE1-CG 4.38Å; F260-K264 HydrophobicContact CE2-CD 4.45Å; F260-K264 HydrophobicContact CE2-CG 4.06Å; F260-K264 HydrophobicContact CZ-CG 4.05Å; F260-K264 VanDerWaalsContact O-CG 3.26Å; F260-K264 WeakPolarHBondContact O-CG 3.16Å; F260-K264 PolarHBondContact O-N 3.45Å; F260-K264 VanDerWaalsContact O-N 3.11Å
261L93Very high87Confident0 Ų030.6 Ų30.60%014%0.139CC..Hα-helixtrans-62.7-42.8175.7-69.5-174.7000111.8L134 Y137 Q138 L237 Q257 L258 W259 K264 L265L134-L261 HydrophobicContact CD2-CD2 4.13Å; Y137-L261 HydrophobicContact CD1-CD2 3.55Å; Y137-L261 HydrophobicContact CE1-CD2 4.1Å; Q138-L261 HydrophobicContact CB-CD1 3.89Å; Q138-L261 HydrophobicContact CB-CD2 3.99Å; Q138-L261 HydrophobicContact CB-CG 3.81Å; L237-L261 HydrophobicContact CD1-CB 4.11Å; L237-L261 HydrophobicContact CD2-CB 4.38Å; L237-L261 HydrophobicContact CG-CB 3.92Å; L237-L261 HydrophobicContact CG-CD1 4.15Å; Q257-L261 PolarHBondContact O-N 3.04Å; Q257-L261 VanDerWaalsContact O-N 3.1Å; L258-L261 PolarHBondContact O-N 3.39Å; W259-L261 PolarHBondContact O-N 3.43Å; L261-K264 PolarHBondContact O-N 2.6Å; L261-L265 WeakPolarHBondContact O-CB 3.21Å; L261-L265 PolarHBondContact O-N 3.45Å
262F91.6Very high87.5Confident13 Ų1326.7 Ų26.76%0.05712%0.124CC..Hα-helixtrans-65.3-45.2179.6-176.8-98.2000112.5L258 W259 K264 L265 K266 V491 L492L258-F262 WeakPolarHBondContact O-CB 3.42Å; L258-F262 PolarHBondContact O-N 3.27Å; W259-F262 PolarHBondContact O-N 2.88Å; F262-K264 VanDerWaalsContact C-N 3.3Å; F262-K264 PolarHBondContact O-N 2.78Å; F262-L265 WeakPolarHBondContact O-CB 3.48Å; F262-L265 PolarHBondContact O-N 3.05Å; F262-K266 HydrophobicContact CE1-CD 4.12Å; F262-K266 VanDerWaalsContact O-CB 3.22Å; F262-K266 WeakPolarHBondContact O-CB 3.33Å; F262-K266 PolarHBondContact O-N 3.25Å; F262-V491 HydrophobicContact CB-CG1 3.68Å; F262-V491 HydrophobicContact CD1-CG1 3.7Å; F262-V491 HydrophobicContact CG-CG1 3.71Å; F262-L492 HydrophobicContact CD2-CD2 4.27Å; F262-L492 HydrophobicContact CE1-CD2 4.46Å; F262-L492 HydrophobicContact CE2-CD2 3.48Å; F262-L492 VanDerWaalsContact CE2-CD2 3.48Å; F262-L492 HydrophobicContact CZ-CD2 3.6Å
263E89.4Confident88.2Confident28 Ų2823.5 Ų23.513%0.13111%0.109CC..Hα-helixtrans-63.8-35.5176.1-72.9-60149.900112W259 K266 H267W259-E263 HydrophobicContact CD2-CG 4.2Å; W259-E263 HydrophobicContact CZ2-CG 3.83Å; W259-E263 PolarHBondContact O-N 3.26Å; E263-K266 PolarHBondContact O-N 3.34Å; E263-K266 IonicContact OE1-NZ 3.37Å; E263-K266 PolarHBondContact OE1-NZ 2.78Å; E263-K266 WeakPolarHBondContact OE2-CD 3.44Å; E263-K266 WeakPolarHBondContact OE2-CE 3.2Å; E263-K266 IonicContact OE2-NZ 3.21Å; E263-K266 PolarHBondContact OE2-NZ 3.48Å; E263-H267 WeakPolarHBondContact O-CB 3.09Å; E263-H267 PolarHBondContact O-CD2 2.87Å; E263-H267 PolarHBondContact O-N 2.72Å; E263-H267 IonicContact OE2-CD2 2.81Å; E263-H267 IonicContact OE2-NE2 2.69Å
264K91.9Very high88.7Confident49 Ų4921 Ų2121%0.21310%0.097CC..Hα-helixtrans-68.7-39.5173.3-67.3-67.5-178177.70112.3Y137 H149 F152 F260 L261 F262 S268Y137-K264 HydrophobicContact CE1-CB 4.4Å; Y137-K264 HydrophobicContact CE1-CG 4.36Å; Y137-K264 WeakPolarHBondContact OH-CG 3.4Å; H149-K264 VanDerWaalsContact CE1-CE 3.44Å; H149-K264 WeakPolarHBondContact CE1-CE 3.49Å; H149-K264 PolarHBondContact CE1-NZ 2.82Å; H149-K264 PolarHBondContact NE2-NZ 3.06Å; F152-K264 HydrophobicContact CD1-CB 4.29Å; F152-K264 HydrophobicContact CE1-CB 3.78Å; F152-K264 WeakPolarHBondContact CE1-O 3.38Å; F152-K264 HydrophobicContact CZ-CB 4.01Å; F260-K264 HydrophobicContact CD2-CG 4.41Å; F260-K264 HydrophobicContact CE1-CG 4.38Å; F260-K264 HydrophobicContact CE2-CD 4.45Å; F260-K264 HydrophobicContact CE2-CG 4.06Å; F260-K264 HydrophobicContact CZ-CG 4.05Å; F260-K264 VanDerWaalsContact O-CG 3.26Å; F260-K264 WeakPolarHBondContact O-CG 3.16Å; F260-K264 PolarHBondContact O-N 3.45Å; F260-K264 VanDerWaalsContact O-N 3.11Å; L261-K264 PolarHBondContact O-N 2.6Å; F262-K264 VanDerWaalsContact C-N 3.3Å; F262-K264 PolarHBondContact O-N 2.78Å; K264-S268 VanDerWaalsContact O-CB 3.25Å; K264-S268 WeakPolarHBondContact O-CB 3.43Å; K264-S268 PolarHBondContact O-N 3.4Å; K264-S268 PolarHBondContact O-OG 3.47Å
265L92.2Very high88.5Confident0 Ų022 Ų220%010%0.104CC..Hα-helixtrans-60.1-47.5171.7-173.676.4000110.8F152 L234 L237 L261 F262 S268 Y269 L270 F320 W323F152-L265 HydrophobicContact CZ-CB 4.47Å; L234-L265 HydrophobicContact CD2-CD1 4.25Å; L234-L265 HydrophobicContact CD2-CD2 4.2Å; L237-L265 HydrophobicContact CD1-CB 4.04Å; L237-L265 HydrophobicContact CD1-CD1 4.1Å; L237-L265 HydrophobicContact CD1-CD2 3.96Å; L237-L265 HydrophobicContact CD1-CG 4.27Å; L261-L265 WeakPolarHBondContact O-CB 3.21Å; L261-L265 PolarHBondContact O-N 3.45Å; F262-L265 WeakPolarHBondContact O-CB 3.48Å; F262-L265 PolarHBondContact O-N 3.05Å; L265-S268 PolarHBondContact O-N 2.83Å; L265-Y269 HydrophobicContact CD1-CD2 4.1Å; L265-Y269 HydrophobicContact CD1-CG 3.98Å; L265-Y269 PolarHBondContact O-N 3.39Å; L265-L270 PolarHBondContact O-N 3.49Å; L265-F320 HydrophobicContact CD2-CE2 3.8Å; L265-F320 HydrophobicContact CD2-CZ 3.95Å; L265-F320 HydrophobicContact CG-CE2 4.2Å; L265-W323 HydrophobicContact CD2-CH2 3.96Å; L265-W323 HydrophobicContact CD2-CZ3 4.25Å
266K89.7Confident88.2Confident31 Ų3123.3 Ų23.314%0.13511%0.114CC..Hα-helixtrans-62.4-42.2-179.6165.9178.7154.3-162.80113.7F262 E263 L270 P271 N498 L501F262-K266 HydrophobicContact CE1-CD 4.12Å; F262-K266 VanDerWaalsContact O-CB 3.22Å; F262-K266 WeakPolarHBondContact O-CB 3.33Å; F262-K266 PolarHBondContact O-N 3.25Å; E263-K266 PolarHBondContact O-N 3.34Å; E263-K266 IonicContact OE1-NZ 3.37Å; E263-K266 PolarHBondContact OE1-NZ 2.78Å; E263-K266 WeakPolarHBondContact OE2-CD 3.44Å; E263-K266 WeakPolarHBondContact OE2-CE 3.2Å; E263-K266 IonicContact OE2-NZ 3.21Å; E263-K266 PolarHBondContact OE2-NZ 3.48Å; K266-L270 HydrophobicContact CB-CD1 4.28Å; K266-P271 WeakPolarHBondContact O-CD 3.43Å; K266-N498 PolarHBondContact NZ-OD1 3.18Å; K266-L501 HydrophobicContact CD-CD2 3.72Å; K266-L501 HydrophobicContact CG-CD2 3.8Å
267H84.7Confident88.1Confident96 Ų9620.9 Ų20.944%0.44410%0.103SC..Hα-helixtrans-85-3.6178.2-80-72.6000115.1E263E263-H267 WeakPolarHBondContact O-CB 3.09Å; E263-H267 PolarHBondContact O-CD2 2.87Å; E263-H267 PolarHBondContact O-N 2.72Å; E263-H267 IonicContact OE2-CD2 2.81Å; E263-H267 IonicContact OE2-NE2 2.69Å
268S88.7Confident87.4Confident2 Ų222.9 Ų22.91%0.01412%0.118CC..Hα-helixtrans-124.1-59.2-176.5-38.70000112.5Y153 I163 K264 L265Y153-S268 VanDerWaalsContact CE1-OG 3.23Å; Y153-S268 WeakPolarHBondContact CE1-OG 3.37Å; I163-S268 WeakPolarHBondContact CG1-O 3.29Å; K264-S268 VanDerWaalsContact O-CB 3.25Å; K264-S268 WeakPolarHBondContact O-CB 3.43Å; K264-S268 PolarHBondContact O-N 3.4Å; K264-S268 PolarHBondContact O-OG 3.47Å; L265-S268 PolarHBondContact O-N 2.83Å
269Y92.8Very high86.3Confident0 Ų029 Ų290%016%0.157CC..THydrogen-bonded Turntrans-82.7-41.5-172-79.6-99.9000112.6F152 V156 F159 I163 L230 L233 L265 V272 I273F152-Y269 HydrophobicContact CD1-CE2 4.19Å; F152-Y269 AromaticContact CE1-CD2 3.87Å; F152-Y269 HydrophobicContact CE1-CD2 3.87Å; F152-Y269 AromaticContact CE1-CE2 3.73Å; F152-Y269 HydrophobicContact CE1-CE2 3.73Å; F152-Y269 HydrophobicContact CZ-CD2 4.07Å; F152-Y269 AromaticContact CZ-CE2 3.96Å; F152-Y269 HydrophobicContact CZ-CE2 3.96Å; F152-Y269 WeakPolarHBondContact O-CE2 3.33Å; F152-Y269 PolarHBondContact O-OH 2.96Å; V156-Y269 HydrophobicContact CB-CE1 4.19Å; V156-Y269 HydrophobicContact CG2-CE1 3.99Å; F159-Y269 AromaticContact CD2-CD1 3.64Å; F159-Y269 HydrophobicContact CD2-CD1 3.64Å; F159-Y269 AromaticContact CD2-CE1 3.63Å; F159-Y269 HydrophobicContact CD2-CE1 3.63Å; F159-Y269 HydrophobicContact CE2-CD1 4.15Å; F159-Y269 HydrophobicContact CE2-CE1 4.33Å; I163-Y269 HydrophobicContact CD1-CD2 4.22Å; I163-Y269 HydrophobicContact CD1-CE2 4.11Å; I163-Y269 HydrophobicContact CD1-CG 4.46Å; L230-Y269 HydrophobicContact CD1-CD1 4.49Å; L233-Y269 HydrophobicContact CD2-CD1 3.95Å; L233-Y269 HydrophobicContact CD2-CD2 4.44Å; L233-Y269 HydrophobicContact CD2-CE1 3.38Å; L233-Y269 HydrophobicContact CD2-CE2 3.95Å; L233-Y269 HydrophobicContact CD2-CG 4.46Å; L233-Y269 VanDerWaalsContact CD2-CZ 3.41Å; L265-Y269 HydrophobicContact CD1-CD2 4.1Å; L265-Y269 HydrophobicContact CD1-CG 3.98Å; L265-Y269 PolarHBondContact O-N 3.39Å; Y269-V272 PolarHBondContact O-N 2.83Å; Y269-V272 VanDerWaalsContact O-N 3.1Å; Y269-I273 WeakPolarHBondContact O-CG1 3.01Å; Y269-I273 PolarHBondContact O-N 3Å
270L90.6Very high85.2Confident3 Ų332.8 Ų32.82%0.01618%0.182CC..Hα-helixtrans-59-42.4-177-81-178.3000114.6L265 K266 V272 I273 F274 L277 F320 L501 I505L265-L270 PolarHBondContact O-N 3.49Å; K266-L270 HydrophobicContact CB-CD1 4.28Å; L270-V272 PolarHBondContact O-N 2.75Å; L270-I273 PolarHBondContact O-N 3.48Å; L270-F274 HydrophobicContact CD2-CD2 3.68Å; L270-F274 HydrophobicContact CD2-CE2 3.95Å; L270-F274 WeakPolarHBondContact O-CA 3.26Å; L270-F274 PolarHBondContact O-N 3.12Å; L270-L277 HydrophobicContact CB-CD1 4Å; L270-F320 HydrophobicContact CD1-CZ 4.39Å; L270-F320 HydrophobicContact CD2-CD1 4.09Å; L270-F320 HydrophobicContact CD2-CD2 4.24Å; L270-F320 HydrophobicContact CD2-CE1 3.63Å; L270-F320 HydrophobicContact CD2-CE2 3.76Å; L270-F320 HydrophobicContact CD2-CG 4.4Å; L270-F320 HydrophobicContact CD2-CZ 3.45Å; L270-F320 VanDerWaalsContact CD2-CZ 3.45Å; L270-F320 HydrophobicContact CG-CE2 4.31Å; L270-F320 HydrophobicContact CG-CZ 4.02Å; L270-L501 HydrophobicContact CD1-CD1 4.07Å; L270-L501 HydrophobicContact CD1-CD2 3.77Å; L270-L501 HydrophobicContact CD1-CG 4.14Å; L270-I505 HydrophobicContact CD1-CD1 3.93Å; L270-I505 HydrophobicContact CD2-CD1 3.77Å; L270-I505 HydrophobicContact CD2-CG1 4.43Å
271P85.4Confident84.4Confident19 Ų1934 Ų3412%0.12319%0.186CC..Hα-helixtrans-68.3-13.6177.9-20.433.6000114.6Y166 K266 P275Y166-P271 HydrophobicContact CD1-CB 4.05Å; Y166-P271 HydrophobicContact CD1-CG 4.24Å; Y166-P271 HydrophobicContact CD2-CB 3.72Å; Y166-P271 HydrophobicContact CE1-CB 3.78Å; Y166-P271 HydrophobicContact CE1-CG 3.68Å; Y166-P271 HydrophobicContact CE2-CB 3.42Å; Y166-P271 VanDerWaalsContact CE2-CB 3.42Å; Y166-P271 HydrophobicContact CE2-CG 4.15Å; Y166-P271 HydrophobicContact CG-CB 4.03Å; Y166-P271 VanDerWaalsContact CZ-CB 3.44Å; K266-P271 WeakPolarHBondContact O-CD 3.43Å; P271-P275 WeakPolarHBondContact O-CA 3.44Å
272V87.1Confident83.7Confident2 Ų235.1 Ų35.11%0.01219%0.194CC..Hα-helixtrans-96.2-36.4176.6176.40000111.3F159 L162 I163 Y269 L270 Y306 I308F159-V272 HydrophobicContact CB-CG1 4.2Å; F159-V272 HydrophobicContact CD1-CG1 3.98Å; F159-V272 HydrophobicContact CG-CG1 4.08Å; L162-V272 HydrophobicContact CB-CG1 3.77Å; L162-V272 HydrophobicContact CB-CG2 3.91Å; L162-V272 HydrophobicContact CD1-CG1 3.69Å; L162-V272 HydrophobicContact CG-CG1 4.38Å; I163-V272 HydrophobicContact CG1-CG2 3.8Å; Y269-V272 PolarHBondContact O-N 2.83Å; Y269-V272 VanDerWaalsContact O-N 3.1Å; L270-V272 PolarHBondContact O-N 2.75Å; V272-Y306 WeakPolarHBondContact CA-OH 3.37Å; V272-Y306 PolarHBondContact O-OH 3.32Å; V272-I308 HydrophobicContact CG1-CD1 4.48Å
273I90.5Very high83.1Confident0 Ų034.5 Ų34.50%019%0.191CC..Hα-helixtrans-76.7-40.7175.8-60.4169.6000110.5F159 L230 Y269 L270 P275 L313 Q317 F320F159-I273 HydrophobicContact CE2-CD1 4.25Å; F159-I273 HydrophobicContact CE2-CG1 4.08Å; F159-I273 HydrophobicContact CZ-CG1 4.34Å; L230-I273 HydrophobicContact CD1-CD1 4.07Å; L230-I273 HydrophobicContact CD2-CD1 4.2Å; Y269-I273 WeakPolarHBondContact O-CG1 3.01Å; Y269-I273 PolarHBondContact O-N 3Å; L270-I273 PolarHBondContact O-N 3.48Å; I273-P275 WeakPolarHBondContact O-CD 3.42Å; I273-L313 WeakPolarHBondContact O-CD1 3.38Å; I273-Q317 HydrophobicContact CG2-CB 4.39Å; I273-Q317 HydrophobicContact CG2-CG 3.82Å; I273-Q317 WeakPolarHBondContact O-CG 3.44Å; I273-Q317 PolarHBondContact O-NE2 3.23Å; I273-F320 HydrophobicContact CD1-CD2 3.93Å; I273-F320 HydrophobicContact CG2-CB 4.42Å
274F88.8Confident82.5Confident1 Ų135.4 Ų35.40%0.00419%0.194CC..  trans-123.474.6-179.5-59.2-90000110.4L270 C276 L277 Q317 F320 I505 Q508L270-F274 HydrophobicContact CD2-CD2 3.68Å; L270-F274 HydrophobicContact CD2-CE2 3.95Å; L270-F274 WeakPolarHBondContact O-CA 3.26Å; L270-F274 PolarHBondContact O-N 3.12Å; F274-C276 PolarHBondContact O-N 2.85Å; F274-L277 HydrophobicContact CB-CD1 3.74Å; F274-L277 HydrophobicContact CB-CD2 4.33Å; F274-L277 HydrophobicContact CB-CG 3.61Å; F274-L277 WeakPolarHBondContact O-CG 3.21Å; F274-L277 PolarHBondContact O-N 2.67Å; F274-L277 VanDerWaalsContact O-N 3.17Å; F274-Q317 HydrophobicContact CD1-CB 4.4Å; F274-Q317 HydrophobicContact CD1-CG 3.86Å; F274-Q317 HydrophobicContact CE1-CB 3.75Å; F274-Q317 HydrophobicContact CE1-CG 3.71Å; F274-Q317 HydrophobicContact CG-CG 4.4Å; F274-Q317 HydrophobicContact CZ-CB 3.98Å; F274-Q317 HydrophobicContact CZ-CG 4.13Å; F274-F320 HydrophobicContact CE2-CB 3.93Å; F274-F320 AromaticContact CE2-CD1 3.87Å; F274-F320 HydrophobicContact CE2-CD1 3.87Å; F274-F320 AromaticContact CE2-CG 3.91Å; F274-F320 HydrophobicContact CE2-CG 3.91Å; F274-F320 HydrophobicContact CZ-CB 4.23Å; F274-F320 HydrophobicContact CZ-CD1 4.42Å; F274-I505 HydrophobicContact CE1-CG2 4.24Å; F274-I505 HydrophobicContact CE2-CG1 4.47Å; F274-I505 HydrophobicContact CE2-CG2 4.12Å; F274-I505 HydrophobicContact CZ-CG2 3.77Å; F274-Q508 HydrophobicContact CD1-CB 4.16Å; F274-Q508 HydrophobicContact CE1-CB 4.46Å
275P80.3Confident81.3Confident34 Ų3436.2 Ų36.222%0.22121%0.205CC..THydrogen-bonded Turntrans-65.8-4.2-178.928.2-36.3000114.3P271 I273 L303 Y306 L313P271-P275 WeakPolarHBondContact O-CA 3.44Å; I273-P275 WeakPolarHBondContact O-CD 3.42Å; P275-L303 HydrophobicContact CG-CD2 4.04Å; P275-Y306 HydrophobicContact CB-CD2 4.42Å; P275-Y306 HydrophobicContact CB-CE2 3.84Å; P275-Y306 HydrophobicContact CG-CD2 4.31Å; P275-Y306 HydrophobicContact CG-CE2 3.97Å; P275-L313 HydrophobicContact CG-CD2 4.24Å
276C76.9Confident79.5Confident33 Ų3340.1 Ų40.122%0.22323%0.231CC..THydrogen-bonded Turntrans-102.31.9179-60.10000113.8F274 S278 T299 Q508F274-C276 PolarHBondContact O-N 2.85Å; C276-S278 PolarHBondContact O-N 3.07Å; C276-T299 HydrophobicContact CB-CG2 4.03Å; C276-Q508 PolarHBondContact O-NE2 3.15Å
277L79.3Confident77.2Confident39 Ų3942.1 Ų42.120%0.20425%0.249CC..  trans-54.7129.1174.4-76.1169.9000111.7L270 F274 L501 D504 I505L270-L277 HydrophobicContact CB-CD1 4Å; F274-L277 HydrophobicContact CB-CD1 3.74Å; F274-L277 HydrophobicContact CB-CD2 4.33Å; F274-L277 HydrophobicContact CB-CG 3.61Å; F274-L277 WeakPolarHBondContact O-CG 3.21Å; F274-L277 PolarHBondContact O-N 2.67Å; F274-L277 VanDerWaalsContact O-N 3.17Å; L277-L501 HydrophobicContact CD1-CD1 3.9Å; L277-L501 HydrophobicContact CD2-CD1 3.94Å; L277-D504 WeakPolarHBondContact CA-OD2 3.24Å; L277-D504 HydrophobicContact CD2-CB 3.87Å; L277-D504 WeakPolarHBondContact CD2-OD2 3.48Å; L277-I505 HydrophobicContact CD2-CG1 4Å
278S71.5Confident74.9Confident53 Ų5342.1 Ų42.137%0.37126%0.256SS..  trans-105.2118.9-178.8-179.20000110.7C276 L280 Y281 D504C276-S278 PolarHBondContact O-N 3.07Å; S278-L280 PolarHBondContact O-N 3.04Å; S278-L280 PolarHBondContact OG-N 2.8Å; S278-Y281 VanDerWaalsContact O-CB 3.27Å; S278-Y281 WeakPolarHBondContact O-CB 3.33Å; S278-Y281 PolarHBondContact O-N 2.97Å; S278-D504 PolarHBondContact N-OD2 2.88Å
279P66.2Low72.6Confident131 Ų13144.5 Ų44.585%0.85127%0.273SS*.THydrogen-bonded Turntrans-66.8-6.417229.7-35.3000112.9
280L66.7Low70Confident143 Ų14348.2 Ų48.275%0.74930%0.298SS*.THydrogen-bonded Turntrans-93.4-5.2172-56.5176.8000112.9S278 S282S278-L280 PolarHBondContact O-N 3.04Å; S278-L280 PolarHBondContact OG-N 2.8Å; L280-S282 PolarHBondContact O-N 3.14Å
281Y75.1Confident67.4Low37 Ų3754.6 Ų54.615%0.14533%0.328CS..  trans-67.2122.2174.8-167.5-82.8000109.6S278 I283 N500 Q503 D504 H507 I619S278-Y281 VanDerWaalsContact O-CB 3.27Å; S278-Y281 WeakPolarHBondContact O-CB 3.33Å; S278-Y281 PolarHBondContact O-N 2.97Å; Y281-I283 HydrophobicContact CE1-CG2 4.33Å; Y281-N500 WeakPolarHBondContact O-CB 3.47Å; Y281-N500 PolarHBondContact O-ND2 3.19Å; Y281-Q503 HydrophobicContact CE1-CB 3.75Å; Y281-D504 HydrophobicContact CD1-CB 3.78Å; Y281-D504 HydrophobicContact CD2-CB 4.09Å; Y281-D504 HydrophobicContact CE1-CB 4.16Å; Y281-D504 HydrophobicContact CE2-CB 4.43Å; Y281-D504 HydrophobicContact CG-CB 3.75Å; Y281-H507 AromaticContact CE2-ND1 3.83Å; Y281-I619 VanDerWaalsContact OH-CG2 3.28Å; Y281-I619 WeakPolarHBondContact OH-CG2 3.17Å
282S78.4Confident65.2Low23 Ų2356.6 Ų56.616%0.16134%0.34CS..  trans-151.9119.2-175.4-177.30000113.2L280 Y284 S285 N500L280-S282 PolarHBondContact O-N 3.14Å; S282-Y284 PolarHBondContact O-N 2.82Å; S282-Y284 PolarHBondContact OG-N 3.07Å; S282-S285 WeakPolarHBondContact CB-OG 3.41Å; S282-S285 CarbonylContact O-C 3.53Å; S282-S285 PolarHBondContact O-N 3.37Å; S282-S285 PolarHBondContact OG-N 3.26Å; S282-S285 PolarHBondContact OG-OG 2.69Å; S282-N500 WeakPolarHBondContact CA-ND2 3.43Å; S282-N500 PolarHBondContact OG-ND2 3.43Å
283I79.4Confident62.8Low0 Ų061.5 Ų61.50%037%0.366CS..SBendtrans-72.6-22.9174.172.7173.8000112Y281 I499 N500 Q503 F540 C612 N615 I619Y281-I283 HydrophobicContact CE1-CG2 4.33Å; I283-I499 HydrophobicContact CD1-CG2 3.64Å; I283-I499 HydrophobicContact CG1-CG2 4.47Å; I283-N500 PolarHBondContact N-OD1 3.07Å; I283-N500 VanDerWaalsContact N-OD1 3.09Å; I283-Q503 HydrophobicContact CG2-CB 4.05Å; I283-Q503 HydrophobicContact CG2-CG 3.9Å; I283-F540 HydrophobicContact CD1-CD2 3.62Å; I283-F540 HydrophobicContact CD1-CE2 4.14Å; I283-F540 HydrophobicContact CD1-CG 4.2Å; I283-C612 HydrophobicContact CD1-CB 3.94Å; I283-C612 HydrophobicContact CG1-CB 4.21Å; I283-N615 VanDerWaalsContact O-CB 3.24Å; I283-N615 WeakPolarHBondContact O-CB 3.4Å; I283-N615 PolarHBondContact O-ND2 2.8Å; I283-I619 HydrophobicContact CB-CD1 4.14Å; I283-I619 HydrophobicContact CG2-CD1 3.76Å
284Y75.6Confident60.2Low48 Ų4866.9 Ų66.919%0.18840%0.395CS..SBendtrans-79.9-20.6179.3-59.2-94.2000112.6S282 R496 I499 N500 L609 C612S282-Y284 PolarHBondContact O-N 2.82Å; S282-Y284 PolarHBondContact OG-N 3.07Å; Y284-R496 HydrophobicContact CD1-CG 4.2Å; Y284-R496 HydrophobicContact CD2-CB 4.03Å; Y284-R496 HydrophobicContact CD2-CG 4.16Å; Y284-R496 HydrophobicContact CE1-CG 3.79Å; Y284-R496 HydrophobicContact CE2-CB 3.66Å; Y284-R496 HydrophobicContact CE2-CG 3.76Å; Y284-R496 HydrophobicContact CG-CG 4.39Å; Y284-I499 HydrophobicContact CE2-CB 4.49Å; Y284-I499 HydrophobicContact CE2-CG2 4.17Å; Y284-I499 VanDerWaalsContact OH-CD1 3.28Å; Y284-I499 WeakPolarHBondContact OH-CD1 3.24Å; Y284-N500 WeakPolarHBondContact CD2-OD1 3.33Å; Y284-L609 PolarHBondContact OH-O 3.01Å; Y284-C612 WeakPolarHBondContact CD1-SG 3.4Å; Y284-C612 WeakPolarHBondContact CE1-SG 3.44Å
285S66.9Low57.7Low65 Ų6569.7 Ų69.746%0.45541%0.412SS..SBendtrans-145.475.9-175.760.60000109.9S282 S287S282-S285 WeakPolarHBondContact CB-OG 3.41Å; S282-S285 CarbonylContact O-C 3.53Å; S282-S285 PolarHBondContact O-N 3.37Å; S282-S285 PolarHBondContact OG-N 3.26Å; S282-S285 PolarHBondContact OG-OG 2.69Å; S285-S287 PolarHBondContact O-N 2.96Å
286P54.5Low55.8Low82 Ų8271.3 Ų71.353%0.53242%0.421SS..  trans-69.390-178.528.5-34.7000110.9T288P286-T288 PolarHBondContact O-N 3.49Å
287S41.3Very low53.8Low73 Ų7373.4 Ų73.451%0.5143%0.434SS..  trans-53.3132.7167.3-62.20000109.7S285 S289S285-S287 PolarHBondContact O-N 2.96Å; S287-S289 PolarHBondContact O-N 2.77Å
288T37.9Very low51.9Low97 Ų9776.5 Ų76.560%0.59545%0.451SS*.  trans-46.4121.9-171.552.90000112.1P286 S290 Q291P286-T288 PolarHBondContact O-N 3.49Å; T288-S290 PolarHBondContact O-N 2.88Å; T288-S290 PolarHBondContact O-OG 2.92Å; T288-S290 PolarHBondContact OG1-OG 2.99Å; T288-Q291 PolarHBondContact O-N 2.71Å
289S39.3Very low50.7Low52 Ų5275.8 Ų75.836%0.36444%0.444SS..THydrogen-bonded Turntrans-61.6-12.1-166.558.50000115.2S287 Q291 V292 N293S287-S289 PolarHBondContact O-N 2.77Å; S289-Q291 PolarHBondContact O-N 2.97Å; S289-V292 PolarHBondContact O-N 2.88Å; S289-N293 PolarHBondContact O-N 3.23Å
290S38.5Very low49.9Very low77 Ų7771.4 Ų71.454%0.53842%0.416SS..THydrogen-bonded Turntrans-54.1-28.2166520000113.8T288 N294T288-S290 PolarHBondContact O-N 2.88Å; T288-S290 PolarHBondContact O-OG 2.92Å; T288-S290 PolarHBondContact OG1-OG 2.99Å; S290-N294 PolarHBondContact O-ND2 2.86Å
291Q36.1Very low49.3Very low138 Ų13869.2 Ų69.265%0.64541%0.406SS*.THydrogen-bonded Turntrans-81.2-30.6172-68.7-166.8-6.100113.1T288 S289T288-Q291 PolarHBondContact O-N 2.71Å; S289-Q291 PolarHBondContact O-N 2.97Å
292V39.8Very low48.5Very low60 Ų6071.2 Ų71.236%0.36442%0.418SS..THydrogen-bonded Turntrans-76.6-37.8-178-175.90000111.7S289 N294 T295S289-V292 PolarHBondContact O-N 2.88Å; V292-N294 PolarHBondContact O-N 3.4Å; V292-T295 WeakPolarHBondContact O-CB 3.35Å; V292-T295 WeakPolarHBondContact O-CG2 3.38Å; V292-T295 PolarHBondContact O-N 2.84Å; V292-T295 PolarHBondContact O-OG1 3.01Å
293N35.3Very low47.8Very low106 Ų10670.8 Ų70.857%0.56741%0.414SS*.G310 helixtrans-65.6-19.8176.4-76.1-26.3000113.4S289 T295S289-N293 PolarHBondContact O-N 3.23Å; N293-T295 PolarHBondContact O-N 3.04Å
294N37Very low47Very low113 Ų11377.8 Ų77.860%0.60445%0.446SS*.G310 helixtrans-75.7-4.3170.5-72.6-20.8000113.5S290 V292S290-N294 PolarHBondContact O-ND2 2.86Å; V292-N294 PolarHBondContact O-N 3.4Å
295T36.3Very low46.6Very low60 Ų6082.8 Ų82.837%0.36848%0.476SS..G310 helixtrans-78.2-25.4174.968.30000112.9V292 N293 L298 T299V292-T295 WeakPolarHBondContact O-CB 3.35Å; V292-T295 WeakPolarHBondContact O-CG2 3.38Å; V292-T295 PolarHBondContact O-N 2.84Å; V292-T295 PolarHBondContact O-OG1 3.01Å; N293-T295 PolarHBondContact O-N 3.04Å; T295-L298 CarbonylContact O-C 3.56Å; T295-L298 WeakPolarHBondContact O-CA 3.47Å; T295-L298 VanDerWaalsContact O-CB 3.29Å; T295-L298 WeakPolarHBondContact O-CB 3.36Å; T295-L298 PolarHBondContact O-N 2.84Å; T295-T299 WeakPolarHBondContact O-CG2 3.39Å; T295-T299 PolarHBondContact O-N 3.23Å
296V39.4Very low47.2Very low68 Ų6881.7 Ų81.741%0.41246%0.463SS..Hα-helixtrans-57.6-47.1-176.7-176.10000112.2L298 T299 S300 L447V296-L298 VanDerWaalsContact C-N 3.26Å; V296-L298 PolarHBondContact O-N 2.92Å; V296-T299 PolarHBondContact O-N 3.37Å; V296-T299 PolarHBondContact O-OG1 3.42Å; V296-S300 PolarHBondContact O-N 3.3Å; V296-S300 VanDerWaalsContact O-N 3.13Å; V296-L447 HydrophobicContact CG1-CD1 4.34Å
297P36.2Very low48.2Very low76 Ų7682 Ų8249%0.49446%0.464SS..Hα-helixtrans-64.2-25172.4-21.734.5000114.7S300 N301P297-S300 PolarHBondContact O-OG 3.41Å; P297-N301 PolarHBondContact O-ND2 2.9Å; P297-N301 PolarHBondContact O-OD1 2.94Å; P297-N301 VanDerWaalsContact O-OD1 3.13Å
298L38.9Very low50.1Low105 Ų10578.8 Ų78.855%0.5544%0.441SS..Hα-helixtrans-74.5-42.5172.7-87.5152.3000110.9T295 V296 S300 N301 I302T295-L298 CarbonylContact O-C 3.56Å; T295-L298 WeakPolarHBondContact O-CA 3.47Å; T295-L298 VanDerWaalsContact O-CB 3.29Å; T295-L298 WeakPolarHBondContact O-CB 3.36Å; T295-L298 PolarHBondContact O-N 2.84Å; V296-L298 VanDerWaalsContact C-N 3.26Å; V296-L298 PolarHBondContact O-N 2.92Å; L298-S300 PolarHBondContact O-N 3.48Å; L298-N301 PolarHBondContact O-N 3.15Å; L298-I302 HydrophobicContact CB-CD1 4.47Å; L298-I302 WeakPolarHBondContact O-CB 3.43Å; L298-I302 WeakPolarHBondContact O-CD1 3.22Å; L298-I302 VanDerWaalsContact O-CG1 3.23Å; L298-I302 WeakPolarHBondContact O-CG1 3.5Å; L298-I302 PolarHBondContact O-N 3.45Å
299T46.8Very low51.9Low37 Ų3780.3 Ų80.323%0.22744%0.441CS..Hα-helixtrans-62.9-40.9178.363.50000112.2C276 T295 V296 N301 I302 L303C276-T299 HydrophobicContact CB-CG2 4.03Å; T295-T299 WeakPolarHBondContact O-CG2 3.39Å; T295-T299 PolarHBondContact O-N 3.23Å; V296-T299 PolarHBondContact O-N 3.37Å; V296-T299 PolarHBondContact O-OG1 3.42Å; T299-N301 VanDerWaalsContact C-N 3.3Å; T299-N301 PolarHBondContact O-N 3.07Å; T299-I302 PolarHBondContact O-N 2.67Å; T299-L303 VanDerWaalsContact O-CB 3.29Å; T299-L303 WeakPolarHBondContact O-CB 3.46Å; T299-L303 VanDerWaalsContact O-CG 3.24Å; T299-L303 WeakPolarHBondContact O-CG 3.14Å; T299-L303 PolarHBondContact O-N 3.12Å
300S49.6Very low53.4Low39 Ų3979.8 Ų79.827%0.27344%0.437SS..Hα-helixtrans-60.8-40.2175.654.80000112.3V296 P297 L298 Q304V296-S300 PolarHBondContact O-N 3.3Å; V296-S300 VanDerWaalsContact O-N 3.13Å; P297-S300 PolarHBondContact O-OG 3.41Å; L298-S300 PolarHBondContact O-N 3.48Å; S300-Q304 WeakPolarHBondContact O-CG 3.08Å; S300-Q304 PolarHBondContact O-N 3.39Å
301N53.2Low55Low98 Ų9879.2 Ų79.252%0.52443%0.433SS..Hα-helixtrans-76.2-38.1-177.8-62.25.8000111.5P297 L298 T299 L303P297-N301 PolarHBondContact O-ND2 2.9Å; P297-N301 PolarHBondContact O-OD1 2.94Å; P297-N301 VanDerWaalsContact O-OD1 3.13Å; L298-N301 PolarHBondContact O-N 3.15Å; T299-N301 VanDerWaalsContact C-N 3.3Å; T299-N301 PolarHBondContact O-N 3.07Å; N301-L303 VanDerWaalsContact C-N 3.3Å; N301-L303 PolarHBondContact O-N 2.9Å
302I58.5Low57.1Low78 Ų7876.4 Ų76.440%0.442%0.416SS..Hα-helixtrans-65.7-33.5175.3-69.8164.5000111.4L298 T299L298-I302 HydrophobicContact CB-CD1 4.47Å; L298-I302 WeakPolarHBondContact O-CB 3.43Å; L298-I302 WeakPolarHBondContact O-CD1 3.22Å; L298-I302 VanDerWaalsContact O-CG1 3.23Å; L298-I302 WeakPolarHBondContact O-CG1 3.5Å; L298-I302 PolarHBondContact O-N 3.45Å; T299-I302 PolarHBondContact O-N 2.67Å
303L63Low59.2Low15 Ų1573.7 Ų73.78%0.07940%0.4CS..Hα-helixtrans-87.2-17.4-177.3-68.5172.3000114.5P275 T299 N301 L313 Y450P275-L303 HydrophobicContact CG-CD2 4.04Å; T299-L303 VanDerWaalsContact O-CB 3.29Å; T299-L303 WeakPolarHBondContact O-CB 3.46Å; T299-L303 VanDerWaalsContact O-CG 3.24Å; T299-L303 WeakPolarHBondContact O-CG 3.14Å; T299-L303 PolarHBondContact O-N 3.12Å; N301-L303 VanDerWaalsContact C-N 3.3Å; N301-L303 PolarHBondContact O-N 2.9Å; L303-L313 HydrophobicContact CD2-CD2 3.62Å; L303-Y450 VanDerWaalsContact CD1-OH 3.3Å; L303-Y450 WeakPolarHBondContact CD1-OH 3.17Å
304Q63.7Low61.4Low147 Ų14769.2 Ų69.269%0.68738%0.377SS*.Hα-helixtrans-67.2-44174.7-86.7179.2-2000112.5S300 Y306S300-Q304 WeakPolarHBondContact O-CG 3.08Å; S300-Q304 PolarHBondContact O-N 3.39Å; Q304-Y306 VanDerWaalsContact C-N 3.32Å
305D65.8Low63.6Low153 Ų15368 Ų6882%0.81837%0.365SS*.THydrogen-bonded Turntrans-9113.7178.5-69.2-29.2000113.1
306Y79.3Confident66Low42 Ų4265.2 Ų65.217%0.16535%0.347CS..  trans-78.7131.9-174.5-159.2-104.3000112.2V272 P275 Q304 I308 L313V272-Y306 WeakPolarHBondContact CA-OH 3.37Å; V272-Y306 PolarHBondContact O-OH 3.32Å; P275-Y306 HydrophobicContact CB-CD2 4.42Å; P275-Y306 HydrophobicContact CB-CE2 3.84Å; P275-Y306 HydrophobicContact CG-CD2 4.31Å; P275-Y306 HydrophobicContact CG-CE2 3.97Å; Q304-Y306 VanDerWaalsContact C-N 3.32Å; Y306-I308 HydrophobicContact CD1-CB 3.97Å; Y306-I308 HydrophobicContact CE1-CB 3.97Å; Y306-I308 HydrophobicContact CE1-CD1 4.2Å; Y306-I308 HydrophobicContact CE1-CG1 4.12Å; Y306-I308 PolarHBondContact O-N 2.87Å; Y306-I308 VanDerWaalsContact O-N 3.1Å; Y306-L313 HydrophobicContact CD1-CD2 3.96Å; Y306-L313 HydrophobicContact CE1-CD1 4.09Å; Y306-L313 HydrophobicContact CE1-CD2 4.12Å
307P76.5Confident68.3Low87 Ų8763.1 Ų63.157%0.56533%0.333SS*.SBendtrans-62.9-21.5-174-27.737000115.8L162L162-P307 HydrophobicContact CD2-CB 3.74Å; L162-P307 HydrophobicContact CD2-CG 3.76Å
308I81Confident70.7Confident6 Ų660.2 Ų60.23%0.03131%0.313CS..SBendtrans-98.1119.1171.2-57173.6000107.7F159 L162 V272 Y306 R312 L313 Y316F159-I308 HydrophobicContact CD1-CD1 3.93Å; F159-I308 HydrophobicContact CE1-CD1 3.68Å; L162-I308 HydrophobicContact CD1-CD1 3.58Å; L162-I308 HydrophobicContact CD1-CG1 3.76Å; V272-I308 HydrophobicContact CG1-CD1 4.48Å; Y306-I308 HydrophobicContact CD1-CB 3.97Å; Y306-I308 HydrophobicContact CE1-CB 3.97Å; Y306-I308 HydrophobicContact CE1-CD1 4.2Å; Y306-I308 HydrophobicContact CE1-CG1 4.12Å; Y306-I308 PolarHBondContact O-N 2.87Å; Y306-I308 VanDerWaalsContact O-N 3.1Å; I308-R312 HydrophobicContact CG2-CB 4.09Å; I308-R312 HydrophobicContact CG2-CG 4.44Å; I308-L313 HydrophobicContact CB-CB 4.45Å; I308-L313 HydrophobicContact CD1-CD1 4.35Å; I308-L313 HydrophobicContact CG2-CB 3.95Å; I308-Y316 HydrophobicContact CD1-CD2 4.29Å; I308-Y316 HydrophobicContact CD1-CE2 4.07Å; I308-Y316 HydrophobicContact CG2-CD2 4.28Å; I308-Y316 HydrophobicContact CG2-CE2 3.89Å
309H75.1Confident73Confident129 Ų12956.7 Ų56.760%0.59729%0.294SS*.  trans-51.5134.1177.8-173.9-98.5000111.3S311 R312 L313H309-S311 VanDerWaalsContact C-N 3.27Å; H309-S311 PolarHBondContact CE1-OG 3.4Å; H309-S311 PolarHBondContact ND1-OG 3.32Å; H309-S311 PolarHBondContact O-N 3.38Å; H309-S311 VanDerWaalsContact O-N 3.08Å; H309-R312 WeakPolarHBondContact O-CA 3.49Å; H309-R312 PolarHBondContact O-N 2.9Å; H309-L313 PolarHBondContact O-N 2.88Å; H309-L313 VanDerWaalsContact O-N 3.07Å
310P72.2Confident75.1Confident41 Ų4155 Ų5527%0.26628%0.284SS..Hα-helixtrans-53.2-38-170.1-32.136.8000115.2R312 L313 S314P310-R312 PolarHBondContact O-N 3.44Å; P310-L313 PolarHBondContact O-N 2.88Å; P310-S314 PolarHBondContact O-N 2.79Å; P310-S314 PolarHBondContact O-OG 3.23Å
311S72.1Confident77Confident66 Ų6653.2 Ų53.246%0.46227%0.271SS..Hα-helixtrans-69.4-14.1177.870.20000114.8H309 S314 Y315H309-S311 VanDerWaalsContact C-N 3.27Å; H309-S311 PolarHBondContact CE1-OG 3.4Å; H309-S311 PolarHBondContact ND1-OG 3.32Å; H309-S311 PolarHBondContact O-N 3.38Å; H309-S311 VanDerWaalsContact O-N 3.08Å; S311-S314 VanDerWaalsContact C-OG 3.27Å; S311-S314 WeakPolarHBondContact CA-OG 3.48Å; S311-S314 PolarHBondContact O-OG 2.99Å; S311-Y315 WeakPolarHBondContact O-CD2 3.46Å; S311-Y315 VanDerWaalsContact O-CE2 3.23Å; S311-Y315 WeakPolarHBondContact O-CE2 3.5Å
312R79.3Confident78.6Confident78 Ų7849.2 Ų49.229%0.29425%0.25SS..Hα-helixtrans-96.5-39.1173.2-165172-175.7-140.9-10.5110.8E158 D224 I308 H309 P310 S314 Y315 Y316E158-R312 IonicContact OE1-CZ 3.45Å; E158-R312 VanDerWaalsContact OE1-CZ 3.27Å; E158-R312 IonicContact OE1-NE 3.12Å; E158-R312 IonicContact OE1-NH1 2.9Å; E158-R312 PolarHBondContact OE1-NH1 2.87Å; E158-R312 IonicContact OE1-NH2 3.15Å; E158-R312 IonicContact OE2-CZ 3.09Å; E158-R312 IonicContact OE2-NH1 3.46Å; E158-R312 PolarHBondContact OE2-NH1 2.9Å; E158-R312 IonicContact OE2-NH2 3.3Å; E158-R312 PolarHBondContact OE2-NH2 2.93Å; D224-R312 IonicContact OD1-CZ 3.31Å; D224-R312 IonicContact OD1-NE 3.99Å; D224-R312 IonicContact OD1-NH2 2.77Å; D224-R312 PolarHBondContact OD1-NH2 2.9Å; D224-R312 IonicContact OD2-CZ 2.71Å; D224-R312 IonicContact OD2-NE 3.14Å; D224-R312 PolarHBondContact OD2-NE 2.9Å; D224-R312 IonicContact OD2-NH2 3.49Å; D224-R312 PolarHBondContact OD2-NH2 2.91Å; D224-R312 VanDerWaalsContact OD2-NH2 3.1Å; I308-R312 HydrophobicContact CG2-CB 4.09Å; I308-R312 HydrophobicContact CG2-CG 4.44Å; H309-R312 WeakPolarHBondContact O-CA 3.49Å; H309-R312 PolarHBondContact O-N 2.9Å; P310-R312 PolarHBondContact O-N 3.44Å; R312-S314 PolarHBondContact O-N 2.91Å; R312-Y315 PolarHBondContact O-N 3.47Å; R312-Y315 VanDerWaalsContact O-N 3.08Å; R312-Y316 HydrophobicContact CG-CE2 4.16Å; R312-Y316 VanDerWaalsContact CZ-OH 3.22Å; R312-Y316 PolarHBondContact NE-OH 3.45Å; R312-Y316 PolarHBondContact NH2-OH 3.03Å; R312-Y316 PolarHBondContact O-N 3.25Å
313L83.6Confident80.2Confident3 Ų346 Ų462%0.01623%0.234CC..Hα-helixtrans-56.2-40.3171.5-173.564.7000111.6I273 P275 L303 Y306 I308 H309 P310 Y315 Y316 Q317I273-L313 WeakPolarHBondContact O-CD1 3.38Å; P275-L313 HydrophobicContact CG-CD2 4.24Å; L303-L313 HydrophobicContact CD2-CD2 3.62Å; Y306-L313 HydrophobicContact CD1-CD2 3.96Å; Y306-L313 HydrophobicContact CE1-CD1 4.09Å; Y306-L313 HydrophobicContact CE1-CD2 4.12Å; I308-L313 HydrophobicContact CB-CB 4.45Å; I308-L313 HydrophobicContact CD1-CD1 4.35Å; I308-L313 HydrophobicContact CG2-CB 3.95Å; H309-L313 PolarHBondContact O-N 2.88Å; H309-L313 VanDerWaalsContact O-N 3.07Å; P310-L313 PolarHBondContact O-N 2.88Å; L313-Y315 VanDerWaalsContact C-N 3.28Å; L313-Y315 PolarHBondContact O-N 3Å; L313-Y316 PolarHBondContact O-N 2.75Å; L313-Y316 VanDerWaalsContact O-N 3.1Å; L313-Q317 HydrophobicContact CG-CG 4.46Å; L313-Q317 WeakPolarHBondContact O-CG 3.35Å; L313-Q317 PolarHBondContact O-N 3.39Å
314S82Confident81.5Confident13 Ų1345.4 Ų45.49%0.09123%0.23CC..Hα-helixtrans-58.5-34.617653.70000113.5P310 S311 R312 L318P310-S314 PolarHBondContact O-N 2.79Å; P310-S314 PolarHBondContact O-OG 3.23Å; S311-S314 VanDerWaalsContact C-OG 3.27Å; S311-S314 WeakPolarHBondContact CA-OG 3.48Å; S311-S314 PolarHBondContact O-OG 2.99Å; R312-S314 PolarHBondContact O-N 2.91Å; S314-L318 WeakPolarHBondContact O-CB 3.5Å; S314-L318 PolarHBondContact O-N 3.4Å
315Y82.5Confident82.6Confident88 Ų8838.4 Ų38.435%0.34520%0.198SC..Hα-helixtrans-71.2-34.6175.4-71.8-72.9000112.6S311 R312 L313 L318 E319S311-Y315 WeakPolarHBondContact O-CD2 3.46Å; S311-Y315 VanDerWaalsContact O-CE2 3.23Å; S311-Y315 WeakPolarHBondContact O-CE2 3.5Å; R312-Y315 PolarHBondContact O-N 3.47Å; R312-Y315 VanDerWaalsContact O-N 3.08Å; L313-Y315 VanDerWaalsContact C-N 3.28Å; L313-Y315 PolarHBondContact O-N 3Å; Y315-L318 HydrophobicContact CD1-CD2 4.12Å; Y315-L318 WeakPolarHBondContact O-CB 3.46Å; Y315-E319 WeakPolarHBondContact O-CB 3.22Å; Y315-E319 PolarHBondContact O-N 3.23Å
316Y87.2Confident83.7Confident0 Ų031.8 Ų31.80%016%0.163CC..Hα-helixtrans-69.1-39.6174.2-56.4-42.8000111.8E158 F159 S226 L227 L230 I308 R312 L313 F320E158-Y316 PolarHBondContact OE1-OH 2.7Å; E158-Y316 PolarHBondContact OE2-OH 3.05Å; F159-Y316 AromaticContact CE1-CD2 3.7Å; F159-Y316 HydrophobicContact CE1-CD2 3.7Å; F159-Y316 AromaticContact CE1-CE2 3.57Å; F159-Y316 HydrophobicContact CE1-CE2 3.57Å; F159-Y316 HydrophobicContact CE1-CG 4.26Å; F159-Y316 AromaticContact CZ-CD1 4Å; F159-Y316 HydrophobicContact CZ-CD1 4Å; F159-Y316 AromaticContact CZ-CD2 3.64Å; F159-Y316 HydrophobicContact CZ-CD2 3.64Å; F159-Y316 HydrophobicContact CZ-CE1 4.19Å; F159-Y316 AromaticContact CZ-CE2 3.85Å; F159-Y316 HydrophobicContact CZ-CE2 3.85Å; F159-Y316 AromaticContact CZ-CG 3.72Å; F159-Y316 HydrophobicContact CZ-CG 3.72Å; S226-Y316 VanDerWaalsContact CB-OH 3.26Å; S226-Y316 WeakPolarHBondContact CB-OH 3.48Å; L227-Y316 HydrophobicContact CB-CD1 4.47Å; L227-Y316 HydrophobicContact CB-CE1 4.02Å; L227-Y316 HydrophobicContact CD1-CD1 3.89Å; L227-Y316 HydrophobicContact CD1-CE1 4.29Å; L230-Y316 HydrophobicContact CD2-CD1 3.86Å; L230-Y316 HydrophobicContact CD2-CG 4.23Å; I308-Y316 HydrophobicContact CD1-CD2 4.29Å; I308-Y316 HydrophobicContact CD1-CE2 4.07Å; I308-Y316 HydrophobicContact CG2-CD2 4.28Å; I308-Y316 HydrophobicContact CG2-CE2 3.89Å; R312-Y316 HydrophobicContact CG-CE2 4.16Å; R312-Y316 VanDerWaalsContact CZ-OH 3.22Å; R312-Y316 PolarHBondContact NE-OH 3.45Å; R312-Y316 PolarHBondContact NH2-OH 3.03Å; R312-Y316 PolarHBondContact O-N 3.25Å; L313-Y316 PolarHBondContact O-N 2.75Å; L313-Y316 VanDerWaalsContact O-N 3.1Å; Y316-F320 PolarHBondContact O-N 2.97Å; Y316-F320 VanDerWaalsContact O-N 3.14Å
317Q88.9Confident84.1Confident24 Ų2429.8 Ų29.811%0.11216%0.155CC..Hα-helixtrans-63.9-44.7173.8-70.5171.6-13.800111.4I273 F274 L313 F320 A321 L512I273-Q317 HydrophobicContact CG2-CB 4.39Å; I273-Q317 HydrophobicContact CG2-CG 3.82Å; I273-Q317 WeakPolarHBondContact O-CG 3.44Å; I273-Q317 PolarHBondContact O-NE2 3.23Å; F274-Q317 HydrophobicContact CD1-CB 4.4Å; F274-Q317 HydrophobicContact CD1-CG 3.86Å; F274-Q317 HydrophobicContact CE1-CB 3.75Å; F274-Q317 HydrophobicContact CE1-CG 3.71Å; F274-Q317 HydrophobicContact CG-CG 4.4Å; F274-Q317 HydrophobicContact CZ-CB 3.98Å; F274-Q317 HydrophobicContact CZ-CG 4.13Å; L313-Q317 HydrophobicContact CG-CG 4.46Å; L313-Q317 WeakPolarHBondContact O-CG 3.35Å; L313-Q317 PolarHBondContact O-N 3.39Å; Q317-F320 PolarHBondContact O-N 2.94Å; Q317-A321 VanDerWaalsContact O-CB 3.29Å; Q317-A321 WeakPolarHBondContact O-CB 3.39Å; Q317-A321 PolarHBondContact O-N 3.29Å; Q317-L512 HydrophobicContact CB-CD2 4.2Å
318L85.1Confident84.7Confident15 Ų1525.7 Ų25.78%0.07913%0.128CC..Hα-helixtrans-55.8-50.9175.8-172.874.3000112.1S314 Y315 A321 C322 L512 C516 A519S314-L318 WeakPolarHBondContact O-CB 3.5Å; S314-L318 PolarHBondContact O-N 3.4Å; Y315-L318 HydrophobicContact CD1-CD2 4.12Å; Y315-L318 WeakPolarHBondContact O-CB 3.46Å; L318-A321 PolarHBondContact O-N 3.27Å; L318-C322 WeakPolarHBondContact O-CB 3.27Å; L318-C322 PolarHBondContact O-N 3.33Å; L318-C322 PolarHBondContact O-SG 2.87Å; L318-C322 VanDerWaalsContact O-SG 3.38Å; L318-L512 HydrophobicContact CB-CD1 4.33Å; L318-L512 HydrophobicContact CD1-CD1 4.01Å; L318-C516 HydrophobicContact CD1-CB 3.58Å; L318-A519 HydrophobicContact CD1-CB 3.18Å; L318-A519 HydrophobicContact CG-CB 4.17Å
319E87.1Confident84.9Confident32 Ų3227.9 Ų27.915%0.1514%0.136CC..Hα-helixtrans-64-45.2-178.1-169.163.8-122.400111.3L227 Q231 L234 Y315 A321 C322 W323L227-E319 HydrophobicContact CD1-CB 4.13Å; L227-E319 HydrophobicContact CD1-CG 4.38Å; Q231-E319 HydrophobicContact CG-CG 3.62Å; Q231-E319 WeakPolarHBondContact CG-OE2 3.31Å; Q231-E319 PolarHBondContact NE2-OE2 3.13Å; L234-E319 HydrophobicContact CD1-CG 4.47Å; Y315-E319 WeakPolarHBondContact O-CB 3.22Å; Y315-E319 PolarHBondContact O-N 3.23Å; E319-A321 PolarHBondContact O-N 3.39Å; E319-C322 PolarHBondContact O-N 3.15Å; E319-W323 WeakPolarHBondContact O-CB 3.35Å; E319-W323 PolarHBondContact O-N 2.93Å
320F91.5Very high85.2Confident2 Ų222.5 Ų22.51%0.00911%0.113CC..Hα-helixtrans-62.2-43.7176.4-164-73000111.8L234 L265 L270 I273 F274 Y316 Q317 W323 L324 I505L234-F320 HydrophobicContact CD1-CB 4.45Å; L234-F320 HydrophobicContact CD1-CD2 4.16Å; L234-F320 HydrophobicContact CD2-CD2 3.79Å; L234-F320 HydrophobicContact CD2-CE2 3.76Å; L265-F320 HydrophobicContact CD2-CE2 3.8Å; L265-F320 HydrophobicContact CD2-CZ 3.95Å; L265-F320 HydrophobicContact CG-CE2 4.2Å; L270-F320 HydrophobicContact CD1-CZ 4.39Å; L270-F320 HydrophobicContact CD2-CD1 4.09Å; L270-F320 HydrophobicContact CD2-CD2 4.24Å; L270-F320 HydrophobicContact CD2-CE1 3.63Å; L270-F320 HydrophobicContact CD2-CE2 3.76Å; L270-F320 HydrophobicContact CD2-CG 4.4Å; L270-F320 HydrophobicContact CD2-CZ 3.45Å; L270-F320 VanDerWaalsContact CD2-CZ 3.45Å; L270-F320 HydrophobicContact CG-CE2 4.31Å; L270-F320 HydrophobicContact CG-CZ 4.02Å; I273-F320 HydrophobicContact CD1-CD2 3.93Å; I273-F320 HydrophobicContact CG2-CB 4.42Å; F274-F320 HydrophobicContact CE2-CB 3.93Å; F274-F320 AromaticContact CE2-CD1 3.87Å; F274-F320 HydrophobicContact CE2-CD1 3.87Å; F274-F320 AromaticContact CE2-CG 3.91Å; F274-F320 HydrophobicContact CE2-CG 3.91Å; F274-F320 HydrophobicContact CZ-CB 4.23Å; F274-F320 HydrophobicContact CZ-CD1 4.42Å; Y316-F320 PolarHBondContact O-N 2.97Å; Y316-F320 VanDerWaalsContact O-N 3.14Å; Q317-F320 PolarHBondContact O-N 2.94Å; F320-W323 HydrophobicContact CD1-CE3 4.46Å; F320-W323 HydrophobicContact CE1-CE3 4.15Å; F320-W323 AromaticContact CE1-CZ3 3.98Å; F320-W323 HydrophobicContact CE1-CZ3 3.98Å; F320-W323 HydrophobicContact CE2-CE3 4.47Å; F320-W323 HydrophobicContact CE2-CZ3 4.2Å; F320-W323 HydrophobicContact CZ-CE3 4.15Å; F320-W323 AromaticContact CZ-CZ3 3.69Å; F320-W323 HydrophobicContact CZ-CZ3 3.69Å; F320-W323 PolarHBondContact O-N 2.93Å; F320-L324 HydrophobicContact CE1-CB 4.5Å; F320-L324 HydrophobicContact CE1-CD2 4.48Å; F320-L324 WeakPolarHBondContact O-CB 3.35Å; F320-L324 PolarHBondContact O-N 2.93Å; F320-I505 HydrophobicContact CD1-CG2 4.32Å; F320-I505 HydrophobicContact CE1-CD1 4.04Å
321A88.5Confident85.3Confident0 Ų021 Ų210%010%0.104CC..Hα-helixtrans-65.3-41.7179.400000112.2Q317 L318 E319 L324 A325 A509 I523Q317-A321 VanDerWaalsContact O-CB 3.29Å; Q317-A321 WeakPolarHBondContact O-CB 3.39Å; Q317-A321 PolarHBondContact O-N 3.29Å; L318-A321 PolarHBondContact O-N 3.27Å; E319-A321 PolarHBondContact O-N 3.39Å; A321-L324 PolarHBondContact O-N 3.39Å; A321-A325 WeakPolarHBondContact O-CB 3.36Å; A321-A325 PolarHBondContact O-N 3.11Å; A321-A509 HydrophobicContact CB-CB 3.54Å; A321-I523 HydrophobicContact CB-CD1 4.35Å
322C88.8Confident85.2Confident14 Ų1423 Ų2310%0.09512%0.116CC..Hα-helixtrans-64-42.8174.2-76.40000112.6L318 E319 A325 T326 A519L318-C322 WeakPolarHBondContact O-CB 3.27Å; L318-C322 PolarHBondContact O-N 3.33Å; L318-C322 PolarHBondContact O-SG 2.87Å; L318-C322 VanDerWaalsContact O-SG 3.38Å; E319-C322 PolarHBondContact O-N 3.15Å; C322-A325 PolarHBondContact O-N 3.41Å; C322-T326 PolarHBondContact O-N 3.03Å; C322-T326 VanDerWaalsContact O-N 3.12Å; C322-T326 PolarHBondContact O-OG1 2.86Å; C322-A519 WeakPolarHBondContact SG-CB 3.28Å
323W90.5Very high84.5Confident12 Ų1223.9 Ų23.95%0.04512%0.119CC..Hα-helixtrans-60.7-47.7174.4170.985.5000111.4L234 L237 V238 L265 E319 F320 T326 F327L234-W323 VanDerWaalsContact C-NE1 3.32Å; L234-W323 HydrophobicContact CB-CD2 4.03Å; L234-W323 HydrophobicContact CB-CG 3.86Å; L234-W323 HydrophobicContact CD1-CB 4.14Å; L234-W323 HydrophobicContact CD1-CD2 4.43Å; L234-W323 HydrophobicContact CD1-CG 4.21Å; L234-W323 HydrophobicContact CD2-CD2 4.03Å; L234-W323 HydrophobicContact CD2-CE3 4.02Å; L234-W323 HydrophobicContact CD2-CH2 4.35Å; L234-W323 HydrophobicContact CD2-CZ2 4.34Å; L234-W323 HydrophobicContact CD2-CZ3 4.2Å; L234-W323 HydrophobicContact CG-CD2 4.39Å; L234-W323 HydrophobicContact CG-CG 4.44Å; L234-W323 PolarHBondContact O-NE1 3.31Å; L237-W323 HydrophobicContact CD2-CH2 4.38Å; L237-W323 HydrophobicContact CD2-CZ2 4.15Å; V238-W323 HydrophobicContact CG2-CZ2 3.86Å; L265-W323 HydrophobicContact CD2-CH2 3.96Å; L265-W323 HydrophobicContact CD2-CZ3 4.25Å; E319-W323 WeakPolarHBondContact O-CB 3.35Å; E319-W323 PolarHBondContact O-N 2.93Å; F320-W323 HydrophobicContact CD1-CE3 4.46Å; F320-W323 HydrophobicContact CE1-CE3 4.15Å; F320-W323 AromaticContact CE1-CZ3 3.98Å; F320-W323 HydrophobicContact CE1-CZ3 3.98Å; F320-W323 HydrophobicContact CE2-CE3 4.47Å; F320-W323 HydrophobicContact CE2-CZ3 4.2Å; F320-W323 HydrophobicContact CZ-CE3 4.15Å; F320-W323 AromaticContact CZ-CZ3 3.69Å; F320-W323 HydrophobicContact CZ-CZ3 3.69Å; F320-W323 PolarHBondContact O-N 2.93Å; W323-T326 VanDerWaalsContact O-CB 3.3Å; W323-T326 WeakPolarHBondContact O-CB 3.47Å; W323-T326 PolarHBondContact O-N 3.5Å; W323-F327 HydrophobicContact CD2-CE2 4.06Å; W323-F327 AromaticContact CE2-CE2 3.68Å; W323-F327 HydrophobicContact CG-CE2 4.31Å; W323-F327 HydrophobicContact CZ2-CE2 4.1Å; W323-F327 AromaticContact NE1-CE2 3.65Å; W323-F327 VanDerWaalsContact O-CD2 3.24Å; W323-F327 WeakPolarHBondContact O-CD2 3.46Å; W323-F327 WeakPolarHBondContact O-CE2 3.37Å
324L90.8Very high82.7Confident2 Ų232.5 Ų32.51%0.0116%0.16CC..Hα-helixtrans-62.7-44.9177.7-177.760.8000112F320 A321 T326 F327 V328 L492 V502 I505F320-L324 HydrophobicContact CE1-CB 4.5Å; F320-L324 HydrophobicContact CE1-CD2 4.48Å; F320-L324 WeakPolarHBondContact O-CB 3.35Å; F320-L324 PolarHBondContact O-N 2.93Å; A321-L324 PolarHBondContact O-N 3.39Å; L324-T326 PolarHBondContact O-N 3.46Å; L324-F327 PolarHBondContact O-N 2.86Å; L324-F327 VanDerWaalsContact O-N 3.09Å; L324-V328 HydrophobicContact CD1-CG2 4.11Å; L324-V328 HydrophobicContact CG-CG2 4.29Å; L324-V328 WeakPolarHBondContact O-CG2 3.27Å; L324-V328 PolarHBondContact O-N 3.38Å; L324-V328 VanDerWaalsContact O-N 3.14Å; L324-L492 HydrophobicContact CD1-CD1 3.81Å; L324-L492 HydrophobicContact CD1-CD2 3.95Å; L324-V502 HydrophobicContact CD1-CG2 4.23Å; L324-V502 HydrophobicContact CD2-CG1 4.26Å; L324-V502 HydrophobicContact CD2-CG2 4.3Å; L324-I505 HydrophobicContact CD2-CB 4.17Å; L324-I505 HydrophobicContact CD2-CD1 4.16Å; L324-I505 HydrophobicContact CD2-CG2 3.77Å
325A87.9Confident80.5Confident0 Ų036.7 Ų36.70%019%0.189CC..Hα-helixtrans-57.5-30175.900000113.1A321 C322 F327 V328 Y329 F522 V526A321-A325 WeakPolarHBondContact O-CB 3.36Å; A321-A325 PolarHBondContact O-N 3.11Å; C322-A325 PolarHBondContact O-N 3.41Å; A325-F327 VanDerWaalsContact C-N 3.27Å; A325-F327 PolarHBondContact O-N 3.29Å; A325-V328 PolarHBondContact O-N 3.44Å; A325-Y329 VanDerWaalsContact O-CB 3.3Å; A325-Y329 WeakPolarHBondContact O-CB 3.19Å; A325-Y329 PolarHBondContact O-N 2.9Å; A325-F522 HydrophobicContact CB-CD1 3.7Å; A325-F522 HydrophobicContact CB-CE1 3.41Å; A325-F522 VanDerWaalsContact CB-CE1 3.41Å; A325-F522 HydrophobicContact CB-CG 4.4Å; A325-F522 HydrophobicContact CB-CZ 3.88Å; A325-V526 HydrophobicContact CB-CG2 3.91Å
326T87.1Confident78.2Confident14 Ų1437 Ų379%0.08620%0.203CC..Hα-helixtrans-63.2-30.3177-560000112.9C322 W323 L324 R333 Y480C322-T326 PolarHBondContact O-N 3.03Å; C322-T326 VanDerWaalsContact O-N 3.12Å; C322-T326 PolarHBondContact O-OG1 2.86Å; W323-T326 VanDerWaalsContact O-CB 3.3Å; W323-T326 WeakPolarHBondContact O-CB 3.47Å; W323-T326 PolarHBondContact O-N 3.5Å; L324-T326 PolarHBondContact O-N 3.46Å; T326-R333 PolarHBondContact O-NH2 2.89Å; T326-Y480 HydrophobicContact CG2-CD2 4.21Å; T326-Y480 HydrophobicContact CG2-CE2 4.23Å
327F88.4Confident75.4Confident0 Ų044.8 Ų44.80%024%0.24CC..Hα-helixtrans-86.7-37.7173.2-56.4-73.8000112V238 W323 L324 A325 Y480 V488 H489 L492V238-F327 HydrophobicContact CB-CZ 4.13Å; V238-F327 HydrophobicContact CG1-CE1 3.89Å; V238-F327 HydrophobicContact CG1-CZ 3.93Å; V238-F327 HydrophobicContact CG2-CE1 4.4Å; V238-F327 HydrophobicContact CG2-CE2 4.34Å; V238-F327 HydrophobicContact CG2-CZ 3.78Å; W323-F327 HydrophobicContact CD2-CE2 4.06Å; W323-F327 AromaticContact CE2-CE2 3.68Å; W323-F327 HydrophobicContact CG-CE2 4.31Å; W323-F327 HydrophobicContact CZ2-CE2 4.1Å; W323-F327 AromaticContact NE1-CE2 3.65Å; W323-F327 VanDerWaalsContact O-CD2 3.24Å; W323-F327 WeakPolarHBondContact O-CD2 3.46Å; W323-F327 WeakPolarHBondContact O-CE2 3.37Å; L324-F327 PolarHBondContact O-N 2.86Å; L324-F327 VanDerWaalsContact O-N 3.09Å; A325-F327 VanDerWaalsContact C-N 3.27Å; A325-F327 PolarHBondContact O-N 3.29Å; F327-Y480 HydrophobicContact CD1-CD2 4.39Å; F327-Y480 HydrophobicContact CE1-CD1 4.47Å; F327-Y480 AromaticContact CE1-CD2 3.44Å; F327-Y480 HydrophobicContact CE1-CD2 3.44Å; F327-Y480 VanDerWaalsContact CE1-CD2 3.44Å; F327-Y480 AromaticContact CE1-CE2 3.63Å; F327-Y480 HydrophobicContact CE1-CE2 3.63Å; F327-Y480 AromaticContact CE1-CG 3.91Å; F327-Y480 HydrophobicContact CE1-CG 3.91Å; F327-Y480 HydrophobicContact CE2-CE2 4.23Å; F327-Y480 AromaticContact CZ-CD2 3.67Å; F327-Y480 HydrophobicContact CZ-CD2 3.67Å; F327-Y480 HydrophobicContact CZ-CE1 4.39Å; F327-Y480 AromaticContact CZ-CE2 3.3Å; F327-Y480 HydrophobicContact CZ-CE2 3.3Å; F327-Y480 HydrophobicContact CZ-CG 4.36Å; F327-Y480 AromaticContact CZ-CZ 3.73Å; F327-V488 HydrophobicContact CB-CG1 3.9Å; F327-V488 HydrophobicContact CD1-CB 4.03Å; F327-V488 HydrophobicContact CD1-CG1 3.72Å; F327-V488 HydrophobicContact CD1-CG2 4.07Å; F327-V488 HydrophobicContact CD2-CG1 4.19Å; F327-V488 HydrophobicContact CE1-CB 4.5Å; F327-V488 HydrophobicContact CE1-CG1 4.34Å; F327-V488 HydrophobicContact CE1-CG2 4.03Å; F327-V488 HydrophobicContact CG-CB 4.44Å; F327-V488 HydrophobicContact CG-CG1 3.64Å; F327-H489 PolarHBondContact O-NE2 3.44Å; F327-L492 HydrophobicContact CB-CD1 4.23Å
328V88.4Confident72.6Confident0 Ų048.7 Ų48.70%028%0.276CS..Hα-helixtrans-85.6-9.8-170.3178.90000113.2L324 A325 T330 L492 V502 V526 W530L324-V328 HydrophobicContact CD1-CG2 4.11Å; L324-V328 HydrophobicContact CG-CG2 4.29Å; L324-V328 WeakPolarHBondContact O-CG2 3.27Å; L324-V328 PolarHBondContact O-N 3.38Å; L324-V328 VanDerWaalsContact O-N 3.14Å; A325-V328 PolarHBondContact O-N 3.44Å; V328-T330 PolarHBondContact O-N 2.94Å; V328-L492 HydrophobicContact CG2-CD1 4.02Å; V328-V502 HydrophobicContact CG2-CG1 4.3Å; V328-V526 HydrophobicContact CG1-CG1 3.97Å; V328-W530 HydrophobicContact CG1-CZ2 3.37Å; V328-W530 PolarHBondContact O-NE1 2.96Å
329Y86.4Confident69.8Low53 Ų5355.8 Ų55.821%0.20831%0.312CS..  trans-68.9121.4169.3180-116.2000112.1A325 G331 R333 F522 T525 V526A325-Y329 VanDerWaalsContact O-CB 3.3Å; A325-Y329 WeakPolarHBondContact O-CB 3.19Å; A325-Y329 PolarHBondContact O-N 2.9Å; Y329-G331 WeakPolarHBondContact CE1-O 3.36Å; Y329-R333 PolarHBondContact O-NH2 3.12Å; Y329-R333 VanDerWaalsContact O-NH2 3.14Å; Y329-F522 HydrophobicContact CG-CE2 4.3Å; Y329-T525 HydrophobicContact CE2-CG2 3.91Å; Y329-V526 HydrophobicContact CD2-CG2 4.23Å
330T80.9Confident66.9Low16 Ų1659.6 Ų59.610%0.09834%0.342CS..  trans-105.43.9-177.261.40000113.6V328 S529 N533 N536 P538V328-T330 PolarHBondContact O-N 2.94Å; T330-S529 PolarHBondContact N-OG 3.17Å; T330-S529 VanDerWaalsContact OG1-C 3.26Å; T330-S529 WeakPolarHBondContact OG1-CB 3.39Å; T330-S529 PolarHBondContact OG1-O 2.99Å; T330-S529 PolarHBondContact OG1-OG 3.22Å; T330-N533 PolarHBondContact O-ND2 2.84Å; T330-N536 WeakPolarHBondContact CB-O 3.25Å; T330-N536 VanDerWaalsContact CG2-O 3.23Å; T330-N536 WeakPolarHBondContact CG2-O 3.35Å; T330-P538 HydrophobicContact CG2-CG 4.36Å
331G75.2Confident63.9Low9 Ų965 Ų659%0.09338%0.38CS..SBendtrans-77.5170.7178.200000113.7Y329 R333Y329-G331 WeakPolarHBondContact CE1-O 3.36Å; G331-R333 PolarHBondContact O-N 3.35Å
332P68.8Low60.7Low109 Ų10973.1 Ų73.171%0.70842%0.424SS*.PPolyproline II helixtrans-62.4128.2179.526.8-34.1000111.1
333R65Low57.6Low95 Ų9575.9 Ų75.936%0.35846%0.455SS..PPolyproline II helixtrans-94.6120.1175.3-59.4177.3-177-135.5-11.3108.1T326 Y329 G331 S335T326-R333 PolarHBondContact O-NH2 2.89Å; Y329-R333 PolarHBondContact O-NH2 3.12Å; Y329-R333 VanDerWaalsContact O-NH2 3.14Å; G331-R333 PolarHBondContact O-N 3.35Å; R333-S335 PolarHBondContact O-N 3.37Å; R333-S335 VanDerWaalsContact O-N 3.14Å
334E45.4Very low54.5Low185 Ų18579 Ų7986%0.86449%0.491SS*.PPolyproline II helixtrans-63.7116.5179.1-69.5-165.6153.500110.5S336E334-S336 PolarHBondContact O-N 3.5Å
335S37.1Very low51.2Low100 Ų10089 Ų8970%0.69954%0.535SS*.  trans-71.392.2178.158.30000110.1R333 H337R333-S335 PolarHBondContact O-N 3.37Å; R333-S335 VanDerWaalsContact O-N 3.14Å; S335-H337 VanDerWaalsContact C-N 3.33Å; S335-H337 PolarHBondContact O-N 2.98Å
336S33.6Very low48Very low94 Ų9496.7 Ų96.766%0.65758%0.575SS**  trans-66.982.4-176.261.40000112.4E334 A338E334-S336 PolarHBondContact O-N 3.5Å; S336-A338 PolarHBondContact O-N 3.04Å
337H28.7Very low45.1Very low165 Ų165101.4 Ų101.476%0.76461%0.609SS**  trans-57.1133.1168.5-82-75.5000110.1S335 I339S335-H337 VanDerWaalsContact C-N 3.33Å; S335-H337 PolarHBondContact O-N 2.98Å; H337-I339 PolarHBondContact O-N 2.76Å
338A29.2Very low41.9Very low105 Ų105108.3 Ų108.387%0.86865%0.646SS**  trans-59.1109.3-16700000113.3S336S336-A338 PolarHBondContact O-N 3.04Å
339I27.5Very low38.8Very low165 Ų165117.9 Ų117.985%0.84669%0.688SS**  trans-80.6120.4165.7-61.5178.6000107.5H337H337-I339 PolarHBondContact O-N 2.76Å
340S26.3Very low35.7Very low112 Ų112119.8 Ų119.878%0.78371%0.705SS**  trans-66.6130.5-178.953.10000111.9D342S340-D342 PolarHBondContact O-N 2.79Å
341S26.7Very low33Very low115 Ų115124.9 Ų124.980%0.80473%0.731SS**  trans-70.3115.2178.356.80000113
342D22.5Very low30.4Very low171 Ų171132 Ų13291%0.91476%0.761SS**  trans-163.5143.1145.1-122.1-31.3000110.7S340S340-D342 PolarHBondContact O-N 2.79Å
343G24.3Very low28.2Very low72 Ų72130.1 Ų130.174%0.74276%0.762SS**SBendtrans101.296.5168.300000118.5
344G24.2Very low26.2Very low78 Ų78129.5 Ų129.580%0.80477%0.772SS**  trans46.4109.9141.300000121.1
345F22.6Very low25.2Very low212 Ų212127.4 Ų127.493%0.9377%0.772SS**  trans-71.3126.6160.5-87.9-109.3000111.2
346D20.8Very low24.6Very low160 Ų160127 Ų12786%0.85677%0.765SS**  trans-118.5126.4160.3-120.8-33.5000109.3N348D346-N348 PolarHBondContact O-N 2.97Å
347S25.4Very low24.1Very low113 Ų113125.5 Ų125.579%0.7976%0.764SS**SBendtrans-87.280.8-162.155.10000113.8
348N21.6Very low23.9Very low146 Ų146123.8 Ų123.878%0.78177%0.766SS**  trans-146.257.1166.4-94.5-50.3000112.9D346 T350D346-N348 PolarHBondContact O-N 2.97Å; N348-T350 PolarHBondContact O-N 2.99Å
349F21.9Very low23.6Very low200 Ų200125.5 Ų125.588%0.87777%0.765SS**  trans-77.763.4172.5-145.6-84.1000111.6I351F349-I351 PolarHBondContact O-N 3.15Å
350T22.3Very low23.3Very low94 Ų94120.7 Ų120.758%0.57776%0.756SS**  trans-59111.3169.8-590000108.2N348 H352N348-T350 PolarHBondContact O-N 2.99Å; T350-H352 PolarHBondContact O-N 3.01Å
351I23Very low23.7Very low123 Ų123118.3 Ų118.363%0.63174%0.738SS**  trans-68.186.5170.8-56.8177.2000107.3F349 G353F349-I351 PolarHBondContact O-N 3.15Å; I351-G353 VanDerWaalsContact C-N 3.33Å; I351-G353 PolarHBondContact O-N 3.2Å
352H21Very low23.5Very low158 Ų158117.9 Ų117.973%0.73174%0.735SS**  trans-60.4103159.3-99-92.2000106.4T350 S354T350-H352 PolarHBondContact O-N 3.01Å; H352-S354 PolarHBondContact O-N 2.9Å
353G23.2Very low23.5Very low70 Ų70117.5 Ų117.572%0.72273%0.726SS**  trans-66.657.2167.200000110.8I351 V355I351-G353 VanDerWaalsContact C-N 3.33Å; I351-G353 PolarHBondContact O-N 3.2Å; G353-V355 VanDerWaalsContact C-N 3.29Å; G353-V355 PolarHBondContact O-N 3.33Å
354S21.9Very low23.4Very low82 Ų82121.3 Ų121.357%0.57373%0.729SS**  trans-87.178.2174.5-152.30000106.7H352 V356H352-S354 PolarHBondContact O-N 2.9Å; S354-V356 PolarHBondContact O-N 3.5Å; S354-V356 VanDerWaalsContact OG-CG2 3.24Å; S354-V356 WeakPolarHBondContact OG-CG2 3.35Å
355V25.2Very low23.4Very low141 Ų141126 Ų12686%0.85573%0.734SS**  trans-6979.9159.9-178.70000105.5G353 G357G353-V355 VanDerWaalsContact C-N 3.29Å; G353-V355 PolarHBondContact O-N 3.33Å; V355-G357 PolarHBondContact O-N 3.21Å
356V24.2Very low23.3Very low91 Ų91120.8 Ų120.855%0.55273%0.731SS**  trans-66.1125-170.3173.30000109.2S354 T358S354-V356 PolarHBondContact O-N 3.5Å; S354-V356 VanDerWaalsContact OG-CG2 3.24Å; S354-V356 WeakPolarHBondContact OG-CG2 3.35Å; V356-T358 HydrophobicContact CG1-CG2 4.18Å; V356-T358 PolarHBondContact O-N 3.14Å
357G23.5Very low23.4Very low63 Ų63116.3 Ų116.365%0.64972%0.723SS**  trans-66.199.2164.600000110V355 T359V355-G357 PolarHBondContact O-N 3.21Å; G357-T359 VanDerWaalsContact C-N 3.32Å; G357-T359 PolarHBondContact O-N 3.41Å
358T24.6Very low23.3Very low129 Ų129116.3 Ų116.379%0.79172%0.723SS**  trans-80.774.7-179.5400000111.3V356 G360V356-T358 HydrophobicContact CG1-CG2 4.18Å; V356-T358 PolarHBondContact O-N 3.14Å; T358-G360 VanDerWaalsContact C-N 3.28Å; T358-G360 PolarHBondContact O-N 2.63Å
359T22.7Very low23.3Very low141 Ų141118.9 Ų118.987%0.86573%0.727SS**  trans-73.174.6178.755.70000112.8G357G357-T359 VanDerWaalsContact C-N 3.32Å; G357-T359 PolarHBondContact O-N 3.41Å
360G21.8Very low23.5Very low63 Ų63113.3 Ų113.365%0.64971%0.711SS**  trans72.9-178.2168.400000116.6T358T358-G360 VanDerWaalsContact C-N 3.28Å; T358-G360 PolarHBondContact O-N 2.63Å
361P33.5Very low23.5Very low62 Ų62120.1 Ų120.140%0.40373%0.726SS.*  cis-105.6177-4.140.9-34.4000113.9Q2347P361-Q2347 HydrophobicContact CG-CB 4.2Å
362S22.7Very low23.4Very low107 Ų107120.7 Ų120.775%0.74873%0.731SS**  trans-66.2129.7-176.954.30000115.2
363F22.2Very low23.6Very low163 Ų163119 Ų11972%0.71573%0.732SS**  trans-98.2117.8161-89.5-94000110.6P2348F363-P2348 HydrophobicContact CE2-CG 4.37Å; F363-P2348 HydrophobicContact CZ-CG 4.15Å
364N22.2Very low23.6Very low152 Ų152124.4 Ų124.481%0.81374%0.738SS**  trans-83.6112171.1-80.7-29.5000110.2A366N364-A366 PolarHBondContact O-N 2.92Å
365L24.8Very low23.7Very low175 Ų175123.2 Ų123.292%0.91674%0.739SS**  trans-78.496.3164.8-94.176.6000109.9
366A21.5Very low23.7Very low104 Ų104121.6 Ų121.686%0.8673%0.725SS**  trans-121.673.9164.600000108.5N364N364-A366 PolarHBondContact O-N 2.92Å
367G21.6Very low24Very low66 Ų66122.5 Ų122.568%0.6873%0.733SS**  trans-150.977.1-172.200000111.7F369G367-F369 PolarHBondContact O-N 3.44Å
368S23.2Very low24.3Very low113 Ų113124.1 Ų124.179%0.7973%0.727SS**  trans-61.8118.7179175.50000111.8
369F21.9Very low24.5Very low200 Ų200124 Ų12488%0.87772%0.721SS**  trans-125.2119162.3-101.6-84.8000109G367G367-F369 PolarHBondContact O-N 3.44Å
370P25.9Very low24.9Very low82 Ų82125.5 Ų125.553%0.53272%0.716SS.*  trans-91.1137.8-166.134.1-34.6000113.2
371W22.5Very low25.4Very low237 Ų237127.7 Ų127.790%0.89871%0.712SS**  trans-138.767.2154.6-73.5108.7000108.5T373W371-T373 PolarHBondContact O-N 3.47Å
372D21.2Very low25.4Very low136 Ų136130 Ų13073%0.72772%0.721SS**  trans-7272175.3-70.4-41.3000111
373T24.4Very low26.1Very low123 Ų123126.4 Ų126.476%0.75570%0.696SS**  trans-95.392.5154.750.40000107.7W371 G375W371-T373 PolarHBondContact O-N 3.47Å; T373-G375 PolarHBondContact O-N 2.93Å
374H23.5Very low26.9Very low183 Ų183125.6 Ų125.685%0.84769%0.688SS**  trans-64.981.6170-83.9-82.1000110.4
375G24.5Very low27.6Very low57 Ų57123.6 Ų123.659%0.58867%0.673SS**  trans-72.1119.6158.400000108.4T373T373-G375 PolarHBondContact O-N 2.93Å
376D25.7Very low28.4Very low107 Ų107116.6 Ų116.657%0.57264%0.636SS**  trans-73.4138.7177.4-171.342.6000109.2N378 D379D376-N378 PolarHBondContact O-N 3.25Å; D376-N378 PolarHBondContact OD2-ND2 3.04Å; D376-D379 PolarHBondContact O-N 3.34Å
377P30.3Very low29.4Very low109 Ų109114.6 Ų114.671%0.70861%0.606SS**G310 helixtrans-60.6-5.8-173-2736.7000116.1D379P377-D379 VanDerWaalsContact C-N 3.27Å; P377-D379 PolarHBondContact O-N 3.17Å
378N29.7Very low30.4Very low98 Ų98115.3 Ų115.352%0.52460%0.6SS.*G310 helixtrans-70.3-11.1176.6-71-59.6000114.5D376 F380 L381D376-N378 PolarHBondContact O-N 3.25Å; D376-N378 PolarHBondContact OD2-ND2 3.04Å; N378-F380 PolarHBondContact O-N 3.42Å; N378-F380 VanDerWaalsContact O-N 3.08Å; N378-L381 HydrophobicContact CB-CD1 4.37Å; N378-L381 WeakPolarHBondContact O-CB 3.47Å; N378-L381 WeakPolarHBondContact O-CD1 3.33Å; N378-L381 WeakPolarHBondContact O-CG 3.26Å; N378-L381 PolarHBondContact O-N 3.28Å
379D29.5Very low31.1Very low127 Ų127117.4 Ų117.468%0.67960%0.595SS**G310 helixtrans-62.4-15176.4-86.4-17.8000114.1D376 P377 L381D376-D379 PolarHBondContact O-N 3.34Å; P377-D379 VanDerWaalsContact C-N 3.27Å; P377-D379 PolarHBondContact O-N 3.17Å; D379-L381 PolarHBondContact O-N 3.16Å; D379-L381 VanDerWaalsContact O-N 3.11Å
380F30.7Very low31.9Very low171 Ų171110.7 Ų110.775%0.7557%0.568SS**G310 helixtrans-64.1-8.5170.1-95.9-76.2000114.7N378 L382 S383N378-F380 PolarHBondContact O-N 3.42Å; N378-F380 VanDerWaalsContact O-N 3.08Å; F380-L382 PolarHBondContact O-N 3.46Å; F380-L382 VanDerWaalsContact O-N 3.13Å; F380-S383 PolarHBondContact O-N 3.26Å
381L31.6Very low32.2Very low109 Ų109109.7 Ų109.757%0.57157%0.573SS**G310 helixtrans-60.2-19.7178-75.9169.1000114.3N378 D379 S383 R384N378-L381 HydrophobicContact CB-CD1 4.37Å; N378-L381 WeakPolarHBondContact O-CB 3.47Å; N378-L381 WeakPolarHBondContact O-CD1 3.33Å; N378-L381 WeakPolarHBondContact O-CG 3.26Å; N378-L381 PolarHBondContact O-N 3.28Å; D379-L381 PolarHBondContact O-N 3.16Å; D379-L381 VanDerWaalsContact O-N 3.11Å; L381-S383 PolarHBondContact O-N 2.96Å; L381-R384 WeakPolarHBondContact O-CB 3.37Å; L381-R384 PolarHBondContact O-N 2.8Å; L381-R384 VanDerWaalsContact O-N 3.07Å
382L34.5Very low32.4Very low111 Ų111103.1 Ų103.158%0.58156%0.562SS**G310 helixtrans-56.1-31.9178.2-80.4161.6000113.8F380 R384 H385F380-L382 PolarHBondContact O-N 3.46Å; F380-L382 VanDerWaalsContact O-N 3.13Å; L382-R384 PolarHBondContact O-N 3.18Å; L382-R384 VanDerWaalsContact O-N 3.12Å; L382-H385 PolarHBondContact O-N 3.08Å
383S37Very low32.8Very low32 Ų32102.3 Ų102.322%0.22456%0.564CS.*Hα-helixtrans-60.7-24.2178-167.90000113.1F380 L381 H385 F386 R387F380-S383 PolarHBondContact O-N 3.26Å; L381-S383 PolarHBondContact O-N 2.96Å; S383-H385 VanDerWaalsContact C-N 3.34Å; S383-H385 PolarHBondContact O-N 2.87Å; S383-F386 PolarHBondContact O-N 2.76Å; S383-R387 PolarHBondContact O-N 2.73Å
384R38.8Very low32.8Very low146 Ų146100.1 Ų100.155%0.55157%0.566SS**Hα-helixtrans-69.4-28.9-176.4-143.7175.5-163.3-170.92.8112.8L381 L382 D605L381-R384 WeakPolarHBondContact O-CB 3.37Å; L381-R384 PolarHBondContact O-N 2.8Å; L381-R384 VanDerWaalsContact O-N 3.07Å; L382-R384 PolarHBondContact O-N 3.18Å; L382-R384 VanDerWaalsContact O-N 3.12Å; R384-D605 IonicContact CZ-OD1 2.65Å; R384-D605 IonicContact NE-OD1 3.27Å; R384-D605 PolarHBondContact NE-OD1 2.98Å; R384-D605 VanDerWaalsContact NH2-CG 3.34Å; R384-D605 IonicContact NH2-OD1 2.93Å; R384-D605 PolarHBondContact NH2-OD1 2.81Å; R384-D605 IonicContact NH2-OD2 3.19Å; R384-D605 PolarHBondContact NH2-OD2 3.17Å
385H37.8Very low32.9Very low110 Ų110100.6 Ų100.651%0.50957%0.568SS.*Hα-helixtrans-72.8-44.3176.2-73.8-35.4000112.3L382 S383 R387 S388 F389L382-H385 PolarHBondContact O-N 3.08Å; S383-H385 VanDerWaalsContact C-N 3.34Å; S383-H385 PolarHBondContact O-N 2.87Å; H385-R387 VanDerWaalsContact C-N 3.33Å; H385-R387 PolarHBondContact O-N 3.25Å; H385-S388 PolarHBondContact O-N 3.03Å; H385-S388 PolarHBondContact O-OG 2.99Å; H385-F389 PolarHBondContact O-N 2.78Å
386F41Very low32.9Very low28 Ų28100.8 Ų100.812%0.12357%0.57CS.*Hα-helixtrans-60.5-40.8-179.7-171.9-115000112.5L255 M256 W259 S383 S388 F389 I390L255-F386 HydrophobicContact CD1-CE1 4.46Å; L255-F386 HydrophobicContact CD2-CB 4.01Å; L255-F386 HydrophobicContact CD2-CD1 3.67Å; L255-F386 HydrophobicContact CD2-CD2 3.71Å; L255-F386 HydrophobicContact CD2-CE1 3.99Å; L255-F386 HydrophobicContact CD2-CE2 4.03Å; L255-F386 HydrophobicContact CD2-CG 3.52Å; L255-F386 HydrophobicContact CD2-CZ 4.16Å; L255-F386 HydrophobicContact CG-CD1 4.21Å; L255-F386 HydrophobicContact CG-CD2 4.1Å; L255-F386 HydrophobicContact CG-CE1 3.99Å; L255-F386 HydrophobicContact CG-CE2 3.89Å; L255-F386 HydrophobicContact CG-CG 4.26Å; L255-F386 HydrophobicContact CG-CZ 3.83Å; M256-F386 HydrophobicContact CB-CE2 4.07Å; W259-F386 HydrophobicContact CB-CZ 4Å; W259-F386 HydrophobicContact CG-CZ 4.09Å; S383-F386 PolarHBondContact O-N 2.76Å; F386-S388 VanDerWaalsContact C-N 3.26Å; F386-S388 PolarHBondContact O-N 2.87Å; F386-F389 PolarHBondContact O-N 2.91Å; F386-F389 VanDerWaalsContact O-N 3.08Å; F386-I390 HydrophobicContact CD1-CD1 4.16Å; F386-I390 HydrophobicContact CE1-CD1 3.55Å; F386-I390 HydrophobicContact CE1-CG1 4.42Å; F386-I390 HydrophobicContact CZ-CD1 3.75Å; F386-I390 HydrophobicContact CZ-CG1 4.4Å; F386-I390 PolarHBondContact O-N 3.3Å
387R41.2Very low32.8Very low62 Ų62104.6 Ų104.623%0.23458%0.584CS.*Hα-helixtrans-60.5-32.2175.3-67.5-178.3-173.7-129.5-5.1113.5S383 H385 L609S383-R387 PolarHBondContact O-N 2.73Å; H385-R387 VanDerWaalsContact C-N 3.33Å; H385-R387 PolarHBondContact O-N 3.25Å; R387-L609 VanDerWaalsContact NH2-CD1 3.28Å
388S42.6Very low32.5Very low80 Ų80109.6 Ų109.656%0.55960%0.595SS**Hα-helixtrans-74.8-24176.374.10000113.7H385 F386H385-S388 PolarHBondContact O-N 3.03Å; H385-S388 PolarHBondContact O-OG 2.99Å; F386-S388 VanDerWaalsContact C-N 3.26Å; F386-S388 PolarHBondContact O-N 2.87Å
389F39.2Very low32.2Very low158 Ų158113.1 Ų113.169%0.69361%0.609SS**Hα-helixtrans-79-31.3175.1-95.7-85.1000112.9H385 F386 G391H385-F389 PolarHBondContact O-N 2.78Å; F386-F389 PolarHBondContact O-N 2.91Å; F386-F389 VanDerWaalsContact O-N 3.08Å; F389-G391 PolarHBondContact O-N 3.44Å
390I38.1Very low32Very low58 Ų58113.1 Ų113.130%0.29762%0.619SS.*  trans-80.668.6172.5-51.2-177.1000109.7W259 F386 C392W259-I390 HydrophobicContact CZ2-CD1 4.47Å; F386-I390 HydrophobicContact CD1-CD1 4.16Å; F386-I390 HydrophobicContact CE1-CD1 3.55Å; F386-I390 HydrophobicContact CE1-CG1 4.42Å; F386-I390 HydrophobicContact CZ-CD1 3.75Å; F386-I390 HydrophobicContact CZ-CG1 4.4Å; F386-I390 PolarHBondContact O-N 3.3Å; I390-C392 VanDerWaalsContact C-N 3.27Å; I390-C392 PolarHBondContact O-N 3.44Å
391G31.4Very low31.6Very low62 Ų62107.3 Ų107.364%0.63961%0.607SS**  trans-69.582.7165.900000110.5F389 P393F389-G391 PolarHBondContact O-N 3.44Å; G391-P393 VanDerWaalsContact O-CD 3.25Å; G391-P393 WeakPolarHBondContact O-CD 3.47Å; G391-P393 VanDerWaalsContact O-N 3.16Å
392C28.7Very low31.2Very low99 Ų99107.3 Ų107.367%0.66962%0.616SS**  trans-54.7116.8170.3-74.80000109.4I390 G394I390-C392 VanDerWaalsContact C-N 3.27Å; I390-C392 PolarHBondContact O-N 3.44Å; C392-G394 PolarHBondContact O-N 3.27Å
393P28Very low30.7Very low119 Ų119112.4 Ų112.477%0.77363%0.63SS**  trans-61.2132.8-180-23.234.7000110.1G391 H395G391-P393 VanDerWaalsContact O-CD 3.25Å; G391-P393 WeakPolarHBondContact O-CD 3.47Å; G391-P393 VanDerWaalsContact O-N 3.16Å; P393-H395 PolarHBondContact O-N 2.9Å; P393-H395 VanDerWaalsContact O-N 3.09Å
394G25.2Very low30Very low77 Ų77115.4 Ų115.479%0.79465%0.651SS**  trans-58.9114.7-172.100000112.7C392 G396C392-G394 PolarHBondContact O-N 3.27Å; G394-G396 PolarHBondContact O-N 2.99Å
395H25Very low29.3Very low193 Ų193118.2 Ų118.289%0.89467%0.667SS**  trans-63.8125.6143.2-91.4-93.4000106.7P393P393-H395 PolarHBondContact O-N 2.9Å; P393-H395 VanDerWaalsContact O-N 3.09Å
396G24.8Very low28.6Very low61 Ų61116.8 Ų116.863%0.62967%0.674SS**  trans-55.7153.5-168.200000113.6G394 F398G394-G396 PolarHBondContact O-N 2.99Å; G396-F398 PolarHBondContact O-N 3.33Å
397E23.9Very low27.7Very low187 Ų187123.3 Ų123.387%0.87471%0.71SS**  trans-52.9101.6-175-67.6159.1136.100111.4E399E397-E399 PolarHBondContact O-N 3.17Å
398F24.5Very low26.8Very low213 Ų213124.8 Ų124.893%0.93473%0.73SS**  trans-69.881.8152.8-92.7-88.7000106.9G396 S400G396-F398 PolarHBondContact O-N 3.33Å; F398-S400 PolarHBondContact O-N 2.68Å
399E23.7Very low25.9Very low172 Ų172132.3 Ų132.380%0.80475%0.748SS**  trans-49.9130.6167-73.1-164.4127.900108.5E397 G401E397-E399 PolarHBondContact O-N 3.17Å; E399-G401 PolarHBondContact O-N 3Å
400S24.8Very low25.2Very low127 Ų127128.6 Ų128.689%0.88875%0.747SS**  trans-75.642.3-179.444.60000112.3F398 S402F398-S400 PolarHBondContact O-N 2.68Å; S400-S402 PolarHBondContact O-N 3.09Å; S400-S402 VanDerWaalsContact O-N 3.11Å
401G22.7Very low24.5Very low50 Ų50135.3 Ų135.352%0.51577%0.773SS.*  trans-56.5112.317000000109.9E399 Y403E399-G401 PolarHBondContact O-N 3Å; G401-Y403 WeakPolarHBondContact O-CD2 3.46Å; G401-Y403 PolarHBondContact O-N 3.32Å
402S23.1Very low24.2Very low109 Ų109140.1 Ų140.176%0.76278%0.784SS**  trans-7089.4-169.356.30000112.3S400 S404S400-S402 PolarHBondContact O-N 3.09Å; S400-S402 VanDerWaalsContact O-N 3.11Å; S402-S404 PolarHBondContact O-N 2.95Å
403Y22.9Very low23.9Very low218 Ų218139.5 Ų139.586%0.85578%0.78SS**  trans-7061.8172-88.1-81.9000112.6G401G401-Y403 WeakPolarHBondContact O-CD2 3.46Å; G401-Y403 PolarHBondContact O-N 3.32Å
404S23.4Very low23.7Very low95 Ų95139.6 Ų139.666%0.66478%0.784SS**  trans-66.1138161.676.90000109.5S402S402-S404 PolarHBondContact O-N 2.95Å
405K23.3Very low23.6Very low204 Ų204141.3 Ų141.389%0.88778%0.784SS**  trans64.373.6175.7-58179.6178.8176.20116.6
406A23.1Very low23.7Very low81 Ų81137.8 Ų137.867%0.66978%0.778SS**  trans-119.124.3149.300000112.6S408A406-S408 VanDerWaalsContact C-N 3.26Å; A406-S408 PolarHBondContact O-N 2.96Å
407N22.4Very low23.8Very low164 Ų164140.6 Ų140.688%0.87779%0.785SS**  trans-74.177.1174.7-102.20.9000110.9
408S23.2Very low23.8Very low94 Ų94138.1 Ų138.166%0.65778%0.782SS**  trans-144.477.6171.360.70000111A406 A410A406-S408 VanDerWaalsContact C-N 3.26Å; A406-S408 PolarHBondContact O-N 2.96Å; S408-A410 PolarHBondContact O-N 3.28Å
409Y21.8Very low23.7Very low238 Ų238136.7 Ų136.793%0.93378%0.779SS**  trans-67.270.1159.9-82-86.3000109.7
410A24.5Very low23.7Very low80 Ų80134.3 Ų134.366%0.66178%0.776SS**  trans-72.5132.1174.500000109.6S408 L412S408-A410 PolarHBondContact O-N 3.28Å; A410-L412 PolarHBondContact O-N 3.3Å
411K25.2Very low23.7Very low198 Ų198133.4 Ų133.486%0.86177%0.767SS**  trans-62.9117.4-177.3-65.4174.4179.7176.20111
412L23.9Very low23.9Very low163 Ų163138.4 Ų138.485%0.85378%0.78SS**  trans-128.288.1159.4-70.1171000106.3A410A410-L412 PolarHBondContact O-N 3.3Å
413S22.6Very low23.8Very low86 Ų86143.8 Ų143.860%0.60179%0.785SS**  56.378.163.789.20000113.3
414S23.5Very low23.9Very low122 Ų122141.2 Ų141.285%0.85379%0.785SS**  trans47.492.9147.959.40000118.5
415S23.1Very low23.9Very low113 Ų113148.1 Ų148.179%0.7980%0.797SS**  trans-133136.1146.157.70000108.6
416P28.5Very low23.9Very low119 Ų119145.7 Ų145.777%0.77379%0.794SS**  trans-74.6154.1-160.228.8-36.1000114.5
417P25.4Very low24Very low119 Ų119145.3 Ų145.377%0.77380%0.797SS**  trans-71.6137.9-178.829.9-35.2000112.3Q419P417-Q419 PolarHBondContact O-N 3.46Å
418V23.5Very low24.1Very low135 Ų135144 Ų14482%0.81879%0.79SS**  trans-72.4107.8175.2178.20000109.6V420V418-V420 PolarHBondContact O-N 3.47Å
419Q23.1Very low24.1Very low184 Ų184147.5 Ų147.586%0.8680%0.796SS**PPolyproline II helixtrans-69.4123.1171.9-71.3-179.4-27.600110.5P417P417-Q419 PolarHBondContact O-N 3.46Å
420V24.3Very low24.3Very low121 Ų121142.6 Ų142.673%0.73379%0.786SS**PPolyproline II helixtrans-99125.5164.9179.30000107.1V418V418-V420 PolarHBondContact O-N 3.47Å
421P23.9Very low24.3Very low108 Ų108147.6 Ų147.670%0.70179%0.793SS**PPolyproline II helixtrans-77.3130.6-164.829-35.3000113
422I26.8Very low24.2Very low156 Ų156143.9 Ų143.980%0.879%0.787SS**  trans-109.7122.6166.2-63.6177.7000107.6L424I422-L424 PolarHBondContact O-N 3.33Å
423Y21.1Very low24.2Very low221 Ų221145 Ų14587%0.86779%0.788SS**  trans-76.7105.2-179.7-77.9-94.8000111.3
424L25.6Very low24.2Very low164 Ų164149.9 Ų149.986%0.85980%0.801SS**  trans-124.7150.5157.1-75.4173.6000109.5I422I422-L424 PolarHBondContact O-N 3.33Å
425R23.7Very low25Very low240 Ų240149.5 Ų149.591%0.90680%0.796SS**  trans-113.3138.4-156.5-173.1176.9178.4-179.4-1.3111.6
426N22.8Very low25.1Very low154 Ų154150.9 Ų150.982%0.82480%0.799SS**  trans-42.7149.7-169.3-50.215.9000116.5
427G25.3Very low24.9Very low72 Ų72152.8 Ų152.874%0.74280%0.803SS**  trans-177.350.1177.500000113.9
428D25.6Very low24.8Very low136 Ų136155.5 Ų155.573%0.72781%0.81SS**  trans33.8104.9149.4-44.9-19.2000119
429E23Very low24.8Very low169 Ų169154 Ų15479%0.7981%0.812SS**  85109.898.2-75.2-156.3164.400116.4
430N24.4Very low24.9Very low134 Ų134149.8 Ų149.872%0.71781%0.809SS**  175.1166.2107.2-98.2-76.9000114.1
431F25.6Very low24.8Very low186 Ų186149.7 Ų149.782%0.81681%0.813SS**  trans66.685.1169.2-74.7-75.6000120.8
432V23.5Very low24.7Very low119 Ų119151.8 Ų151.872%0.72182%0.819SS**  15.6125.2101.4-1750000114.4
433Q23.3Very low24.5Very low188 Ų188152.9 Ų152.988%0.87983%0.825SS**  -158.917561.7-150.5152.517.800114.5
434E22.5Very low24.5Very low188 Ų188146.9 Ų146.988%0.87982%0.815SS**  trans-82.9164.5-169.3-90.2-173129.400116.7
435P40.2Very low24.5Very low113 Ų113144.9 Ų144.973%0.73481%0.812SS**  trans-95163.1-161.937.6-37.8000115.8
436T25.1Very low24.4Very low142 Ų142142.1 Ų142.187%0.87181%0.807SS**  trans-113.2141.5162.845.50000111.3
437N23.3Very low24.5Very low159 Ų159140.8 Ų140.885%0.8580%0.799SS**  trans-85.8138.4-178.7-65.2-80.4000111.5
438L24.1Very low24.4Very low177 Ų177143.1 Ų143.193%0.92780%0.795SS**  trans-154.7123144.6-115.1156.6000110
439A24.3Very low24.4Very low104 Ų104140.4 Ų140.486%0.8679%0.786SS**  trans-97.3117.2-175.700000110.6
440A23.5Very low24.5Very low95 Ų95139 Ų13979%0.78577%0.774SS**  trans-124.4119169.500000109.5N442A440-N442 PolarHBondContact O-N 2.77Å
441S23Very low24.4Very low118 Ų118135.9 Ų135.983%0.82576%0.763SS**  trans-81.8105.9-174.652.90000111.9
442N22.6Very low24.4Very low153 Ų153133.4 Ų133.482%0.81876%0.763SS**  trans-140.959170.6-97.3-38.1000112.3A440 S444A440-N442 PolarHBondContact O-N 2.77Å; N442-S444 VanDerWaalsContact C-N 3.28Å; N442-S444 PolarHBondContact O-N 2.85Å
443L22.6Very low24.4Very low179 Ų179135.4 Ų135.494%0.93776%0.762SS**  trans-77.177170.2-80.2167.9000110.7P445L443-P445 VanDerWaalsContact O-CD 3.32Å; L443-P445 WeakPolarHBondContact O-CD 3.37Å
444S20.4Very low24.4Very low94 Ų94131.5 Ų131.566%0.65775%0.747SS**  trans-85109.8162.753.20000109.1N442 K446N442-S444 VanDerWaalsContact C-N 3.28Å; N442-S444 PolarHBondContact O-N 2.85Å; S444-K446 PolarHBondContact O-N 2.81Å
445P25.3Very low24.5Very low122 Ų122129 Ų12979%0.79275%0.745SS**  trans-73101.1179.629.1-33.4000109.6L443 L447L443-P445 VanDerWaalsContact O-CD 3.32Å; L443-P445 WeakPolarHBondContact O-CD 3.37Å; P445-L447 PolarHBondContact O-N 2.57Å; P445-L447 VanDerWaalsContact O-N 3.08Å
446K22.4Very low23.8Very low182 Ų182128 Ų12879%0.79175%0.746SS**  trans-62.4110.4164.9-76.5-174.2175.8-179.70108.2S444 N448S444-K446 PolarHBondContact O-N 2.81Å; K446-N448 PolarHBondContact O-N 3.12Å
447L23.8Very low23.7Very low127 Ų127128.2 Ų128.267%0.66575%0.747SS**  trans-71.698.6176.8-169.371.8000108.5V296 P445 S449V296-L447 HydrophobicContact CG1-CD1 4.34Å; P445-L447 PolarHBondContact O-N 2.57Å; P445-L447 VanDerWaalsContact O-N 3.08Å; L447-S449 PolarHBondContact O-N 3.24Å
448N23.2Very low23.8Very low121 Ų121127.6 Ų127.665%0.64774%0.742SS**  trans-69.892.9-176.9-73.5-16.1000111.3K446 Y450K446-N448 PolarHBondContact O-N 3.12Å; N448-Y450 PolarHBondContact O-N 3.11Å; N448-Y450 VanDerWaalsContact O-N 3.09Å
449S25.7Very low23.9Very low78 Ų78125 Ų12555%0.54574%0.736SS.*  trans-64.4103.6157.8560000108.9L447 S451L447-S449 PolarHBondContact O-N 3.24Å; S449-S451 PolarHBondContact O-N 2.91Å
450Y24.7Very low23.8Very low139 Ų139125.1 Ų125.155%0.54573%0.73SS.*SBendtrans6.275.8177.1-70.5-86000116.5L303 N448L303-Y450 VanDerWaalsContact CD1-OH 3.3Å; L303-Y450 WeakPolarHBondContact CD1-OH 3.17Å; N448-Y450 PolarHBondContact O-N 3.11Å; N448-Y450 VanDerWaalsContact O-N 3.09Å
451S23.4Very low23.9Very low69 Ų69127.3 Ų127.348%0.48373%0.734SS.*  trans-101.1105.4171.262.20000109.7S449S449-S451 PolarHBondContact O-N 2.91Å
452V25.9Very low23.9Very low135 Ų135127.8 Ų127.882%0.81873%0.732SS**  trans-69.4136.1169.8-178.90000108.4
453K22.6Very low23.9Very low161 Ų161130 Ų13070%0.774%0.737SS**  trans-119.2127.2178.8-90.9-173.1151.8-900112.6
454D24.3Very low24Very low105 Ų105127.3 Ų127.356%0.56173%0.729SS**  trans56.984.9133.8-47.8-29.7000117.9
455T24.9Very low24.2Very low137 Ų137127.5 Ų127.584%0.8473%0.73SS**  trans55102.1137.858.30000120.1
456A24.5Very low24.3Very low91 Ų91127.4 Ų127.475%0.75273%0.729SS**  trans-129.7121.1145.900000109.3I458A456-I458 PolarHBondContact O-N 3.32Å
457V23.5Very low24.4Very low146 Ų146124.4 Ų124.489%0.88572%0.721SS**  trans-83.2104.3-174.7-179.90000110.5
458I24.9Very low24.6Very low147 Ų147122.1 Ų122.175%0.75471%0.714SS**  trans-128135.1172-62.8-176.6000107.4A456A456-I458 PolarHBondContact O-N 3.32Å
459P26.9Very low24.9Very low121 Ų121123 Ų12379%0.78671%0.714SS**  trans-76.5144.9-15226.9-35.6000115.6
460S22.3Very low24.9Very low107 Ų107128.2 Ų128.275%0.74873%0.727SS**  trans-57.2125.3177.453.10000114.8
461T24.4Very low25.1Very low141 Ų141126.8 Ų126.887%0.86572%0.724SS**  trans-169.162.9132.314.20000113.1
462V24.1Very low25.3Very low128 Ų128129 Ų12978%0.77673%0.729SS**  trans-129.4111.4157.7-176.80000108.1T464V462-T464 HydrophobicContact CG1-CG2 4.17Å; V462-T464 PolarHBondContact O-N 3.46Å
463Q23.3Very low25.5Very low199 Ų199128.2 Ų128.293%0.9372%0.715SS**  trans-85.386.9176.4-73.7-178-38.700109.9S465Q463-S465 PolarHBondContact O-N 3.22Å; Q463-S465 VanDerWaalsContact O-N 3.16Å
464T24.7Very low25.8Very low124 Ų124126 Ų12676%0.76172%0.715SS**  trans-73.699.5168.452.10000109.6V462V462-T464 HydrophobicContact CG1-CG2 4.17Å; V462-T464 PolarHBondContact O-N 3.46Å
465S23.5Very low26.4Very low98 Ų98129.3 Ų129.369%0.68573%0.727SS**PPolyproline II helixtrans-63.1137.3169.844.90000110.7Q463 L467Q463-S465 PolarHBondContact O-N 3.22Å; Q463-S465 VanDerWaalsContact O-N 3.16Å; S465-L467 PolarHBondContact O-N 2.63Å
466P27.2Very low27.3Very low119 Ų119127.5 Ų127.577%0.77372%0.718SS**PPolyproline II helixtrans-69.5119-177.627.4-33.9000111P468P466-P468 VanDerWaalsContact O-CD 3.28Å; P466-P468 WeakPolarHBondContact O-CD 3.46Å
467L26Very low28.9Very low119 Ų119129.2 Ų129.262%0.62371%0.708SS**PPolyproline II helixtrans-56.6116.8178.6-74.2163000111D223 S465D223-L467 HydrophobicContact CB-CD2 3.72Å; S465-L467 PolarHBondContact O-N 2.63Å
468P26.6Very low30.7Very low79 Ų79126.1 Ų126.151%0.51368%0.683SS.*PPolyproline II helixtrans-70.3153.5-178.5-20.534.1000113.1P466 K470P466-P468 VanDerWaalsContact O-CD 3.28Å; P466-P468 WeakPolarHBondContact O-CD 3.46Å; P468-K470 PolarHBondContact O-N 3.46Å
469Q29.1Very low32.7Very low141 Ų141124.7 Ų124.766%0.65968%0.677SS**SBendtrans-70.131.8-178-61.6178.5-47.600114.9T651Q469-T651 PolarHBondContact NE2-OG1 3.14Å
470K25.9Very low35.3Very low187 Ų187119.9 Ų119.981%0.81364%0.643SS**  trans-87.22.9-173.7-105.2-171.7175.4-173.20115.3P468 I472P468-K470 PolarHBondContact O-N 3.46Å; K470-I472 PolarHBondContact O-N 3.06Å
471F29.5Very low37.8Very low108 Ų108119.6 Ų119.647%0.47463%0.634SS.*  trans-73.657.2174.2-61.6-75.3000112.6
472I26.4Very low40.3Very low116 Ų116120.7 Ų120.760%0.59563%0.629SS**  trans-87.1118.3172-61.3177.8000107.6K470 T474K470-I472 PolarHBondContact O-N 3.06Å; I472-T474 PolarHBondContact O-N 3.28Å
473F30.2Very low42.9Very low118 Ų118121.9 Ų121.952%0.51862%0.623SS.*  trans-50.2100.5174.7-70.8-101.5000112.3K518F473-K518 HydrophobicContact CD2-CD 3.87Å; F473-K518 HydrophobicContact CE2-CD 3.99Å
474T29.1Very low45.6Very low116 Ų116113.2 Ų113.271%0.71258%0.584SS**  trans-120.183.3167.954.10000109I472I472-T474 PolarHBondContact O-N 3.28Å
475E37.8Very low48.4Very low174 Ų174108 Ų10881%0.81355%0.552SS**SBendtrans168.1146.4158.4-88.5-75.8109.700105.3
476P44.3Very low51.1Low98 Ų98105.8 Ų105.864%0.63654%0.537SS*.  trans-82.5159.9-170.432.5-35.6000113.9F478P476-F478 PolarHBondContact O-N 3.43Å
477F56.4Low53.7Low127 Ų127100.1 Ų100.156%0.55750%0.5SS*.  trans-49.7130.5167.7-67.9-90.8000110.6N479 F522F477-N479 PolarHBondContact O-N 3.45Å; F477-F522 AromaticContact CD1-CE1 3.99Å; F477-F522 HydrophobicContact CD1-CE1 3.99Å; F477-F522 HydrophobicContact CD1-CZ 4.47Å; F477-F522 AromaticContact CE1-CD1 3.67Å; F477-F522 HydrophobicContact CE1-CD1 3.67Å; F477-F522 AromaticContact CE1-CE1 3.56Å; F477-F522 HydrophobicContact CE1-CE1 3.56Å; F477-F522 HydrophobicContact CE1-CG 4.44Å; F477-F522 HydrophobicContact CE1-CZ 4.28Å; F477-F522 HydrophobicContact CZ-CD1 4.23Å; F477-F522 HydrophobicContact CZ-CE1 4.43Å
478F61.9Low56.6Low81 Ų8194.9 Ų94.936%0.35547%0.473SS..  trans-60.3110.6-175.7-61.2-68.9000111.4H235 P476 Y480H235-F478 HydrophobicContact CB-CD2 4.39Å; H235-F478 HydrophobicContact CB-CE1 4.11Å; H235-F478 HydrophobicContact CB-CE2 3.95Å; H235-F478 HydrophobicContact CB-CZ 3.79Å; H235-F478 AromaticContact CE1-CD1 3.64Å; H235-F478 AromaticContact CG-CD1 3.88Å; H235-F478 AromaticContact CG-CE1 3.69Å; H235-F478 AromaticContact CG-CZ 3.92Å; H235-F478 AromaticContact ND1-CD1 3.27Å; H235-F478 VanDerWaalsContact ND1-CD1 3.27Å; H235-F478 WeakPolarHBondContact ND1-CD1 3.21Å; H235-F478 AromaticContact ND1-CD2 3.99Å; H235-F478 AromaticContact ND1-CE1 3.59Å; H235-F478 AromaticContact ND1-CG 3.49Å; H235-F478 WeakPolarHBondContact ND1-CG 3.25Å; P476-F478 PolarHBondContact O-N 3.43Å; F478-Y480 HydrophobicContact CB-CD2 4.16Å; F478-Y480 HydrophobicContact CB-CE1 4.31Å; F478-Y480 HydrophobicContact CB-CE2 3.43Å; F478-Y480 VanDerWaalsContact CB-CE2 3.43Å; F478-Y480 HydrophobicContact CG-CE2 4.46Å; F478-Y480 WeakPolarHBondContact O-CD2 3.47Å; F478-Y480 WeakPolarHBondContact O-CE2 3.23Å; F478-Y480 PolarHBondContact O-N 3.03Å; F478-Y480 VanDerWaalsContact O-N 3.12Å
479N68.1Low59.5Low117 Ų11793.6 Ų93.663%0.62646%0.46SS*.  trans-84.988.3-175.9-157.96.9000110.3F477F477-N479 PolarHBondContact O-N 3.45Å
480Y79.7Confident62Low20 Ų2089.1 Ų89.18%0.07844%0.439CS..  trans-79.1142.3179-58.3-80.1000112H235 V238 T326 F327 F478 V484H235-Y480 AromaticContact ND1-CE1 3.93Å; H235-Y480 AromaticContact ND1-CZ 3.86Å; H235-Y480 PolarHBondContact ND1-OH 2.87Å; H235-Y480 VanDerWaalsContact ND1-OH 3.14Å; V238-Y480 HydrophobicContact CB-CE1 4.13Å; V238-Y480 HydrophobicContact CG1-CD1 3.98Å; V238-Y480 HydrophobicContact CG1-CE1 3.9Å; T326-Y480 HydrophobicContact CG2-CD2 4.21Å; T326-Y480 HydrophobicContact CG2-CE2 4.23Å; F327-Y480 HydrophobicContact CD1-CD2 4.39Å; F327-Y480 HydrophobicContact CE1-CD1 4.47Å; F327-Y480 AromaticContact CE1-CD2 3.44Å; F327-Y480 HydrophobicContact CE1-CD2 3.44Å; F327-Y480 VanDerWaalsContact CE1-CD2 3.44Å; F327-Y480 AromaticContact CE1-CE2 3.63Å; F327-Y480 HydrophobicContact CE1-CE2 3.63Å; F327-Y480 AromaticContact CE1-CG 3.91Å; F327-Y480 HydrophobicContact CE1-CG 3.91Å; F327-Y480 HydrophobicContact CE2-CE2 4.23Å; F327-Y480 AromaticContact CZ-CD2 3.67Å; F327-Y480 HydrophobicContact CZ-CD2 3.67Å; F327-Y480 HydrophobicContact CZ-CE1 4.39Å; F327-Y480 AromaticContact CZ-CE2 3.3Å; F327-Y480 HydrophobicContact CZ-CE2 3.3Å; F327-Y480 HydrophobicContact CZ-CG 4.36Å; F327-Y480 AromaticContact CZ-CZ 3.73Å; F478-Y480 HydrophobicContact CB-CD2 4.16Å; F478-Y480 HydrophobicContact CB-CE1 4.31Å; F478-Y480 HydrophobicContact CB-CE2 3.43Å; F478-Y480 VanDerWaalsContact CB-CE2 3.43Å; F478-Y480 HydrophobicContact CG-CE2 4.46Å; F478-Y480 WeakPolarHBondContact O-CD2 3.47Å; F478-Y480 WeakPolarHBondContact O-CE2 3.23Å; F478-Y480 PolarHBondContact O-N 3.03Å; F478-Y480 VanDerWaalsContact O-N 3.12Å; Y480-V484 HydrophobicContact CD1-CG1 4.11Å; Y480-V484 HydrophobicContact CG-CG1 4.4Å
481D75.8Confident64.9Low102 Ų10280.4 Ų80.455%0.54540%0.402SS..  trans-61.3151.1173.6178.732000111.9K483 V484 V485D481-K483 VanDerWaalsContact C-N 3.29Å; D481-K483 PolarHBondContact O-N 3.25Å; D481-V484 HydrophobicContact CB-CG2 4.05Å; D481-V484 WeakPolarHBondContact O-CA 3.35Å; D481-V484 VanDerWaalsContact O-CB 3.23Å; D481-V484 WeakPolarHBondContact O-CB 3.42Å; D481-V484 PolarHBondContact O-N 3.3Å; D481-V485 PolarHBondContact O-N 3.49Å; D481-V485 VanDerWaalsContact O-N 3.11Å
482E77.7Confident67.7Low164 Ų16475.4 Ų75.477%0.76638%0.38SS*.Hα-helixtrans-63.2-35.4-170.9-170.8166.3-147.100112.2V484 V485 S486E482-V484 VanDerWaalsContact C-N 3.27Å; E482-V484 PolarHBondContact O-N 3.07Å; E482-V485 PolarHBondContact O-N 2.82Å; E482-S486 PolarHBondContact O-N 3.38Å
483K77.6Confident70.6Confident152 Ų15270.4 Ų70.466%0.66135%0.353SS*.Hα-helixtrans-61.3-34.9172-65.7-179.6178.7-179.70112.9D481 M487D481-K483 VanDerWaalsContact C-N 3.29Å; D481-K483 PolarHBondContact O-N 3.25Å; K483-M487 PolarHBondContact O-N 3.22Å
484V80.1Confident72.9Confident17 Ų1766.3 Ų66.310%0.10334%0.344CS..Hα-helixtrans-69.1-44.3176.7-178.10000109.9V238 F242 Y480 D481 E482 M487 V488V238-V484 HydrophobicContact CG1-CG1 3.33Å; F242-V484 HydrophobicContact CD2-CB 4.33Å; F242-V484 HydrophobicContact CD2-CG1 4.14Å; F242-V484 HydrophobicContact CD2-CG2 3.74Å; F242-V484 HydrophobicContact CE1-CG2 4.49Å; F242-V484 HydrophobicContact CE2-CB 3.88Å; F242-V484 HydrophobicContact CE2-CG1 3.74Å; F242-V484 HydrophobicContact CE2-CG2 3.74Å; F242-V484 HydrophobicContact CG-CG2 4.14Å; F242-V484 HydrophobicContact CZ-CB 4.25Å; F242-V484 HydrophobicContact CZ-CG2 4.11Å; Y480-V484 HydrophobicContact CD1-CG1 4.11Å; Y480-V484 HydrophobicContact CG-CG1 4.4Å; D481-V484 HydrophobicContact CB-CG2 4.05Å; D481-V484 WeakPolarHBondContact O-CA 3.35Å; D481-V484 VanDerWaalsContact O-CB 3.23Å; D481-V484 WeakPolarHBondContact O-CB 3.42Å; D481-V484 PolarHBondContact O-N 3.3Å; E482-V484 VanDerWaalsContact C-N 3.27Å; E482-V484 PolarHBondContact O-N 3.07Å; V484-M487 PolarHBondContact O-N 2.99Å; V484-V488 VanDerWaalsContact O-CG2 3.28Å; V484-V488 WeakPolarHBondContact O-CG2 3.33Å; V484-V488 PolarHBondContact O-N 3.01Å
485V83Confident75.4Confident14 Ų1462.7 Ų62.79%0.08532%0.323CS..Hα-helixtrans-61.8-43.5176.3-1780000111.1D481 E482 M487 V488 H489D481-V485 PolarHBondContact O-N 3.49Å; D481-V485 VanDerWaalsContact O-N 3.11Å; E482-V485 PolarHBondContact O-N 2.82Å; V485-M487 PolarHBondContact O-N 3.23Å; V485-V488 PolarHBondContact O-N 2.87Å; V485-H489 WeakPolarHBondContact CG1-NE2 3.01Å; V485-H489 PolarHBondContact O-CD2 2.74Å; V485-H489 VanDerWaalsContact O-CD2 3.29Å; V485-H489 PolarHBondContact O-N 2.68Å
486S81.2Confident77.5Confident52 Ų5258.9 Ų58.936%0.36430%0.301SS..Hα-helixtrans-59.4-46.5177.9-1680000112.7E482 V488 H489 E490E482-S486 PolarHBondContact O-N 3.38Å; S486-V488 VanDerWaalsContact C-N 3.34Å; S486-V488 PolarHBondContact O-N 2.62Å; S486-H489 WeakPolarHBondContact O-CB 3.42Å; S486-H489 PolarHBondContact O-N 2.99Å; S486-H489 VanDerWaalsContact O-N 3.16Å; S486-E490 PolarHBondContact O-N 3.49Å
487M80.9Confident79.2Confident0 Ų060.7 Ų60.70%030%0.301CS..Hα-helixtrans-69.8-32.7179.3-156.2176.580.600112.2F242 Y251 H254 L255 L258 K483 V484 V485 E490 V491F242-M487 HydrophobicContact CD2-CE 4.25Å; F242-M487 HydrophobicContact CE1-CE 4.14Å; F242-M487 HydrophobicContact CE1-SD 3.92Å; F242-M487 HydrophobicContact CE2-CB 4.43Å; F242-M487 HydrophobicContact CE2-CE 3.42Å; F242-M487 VanDerWaalsContact CE2-CE 3.42Å; F242-M487 HydrophobicContact CE2-SD 4.21Å; F242-M487 HydrophobicContact CZ-CB 3.66Å; F242-M487 HydrophobicContact CZ-CE 3.37Å; F242-M487 HydrophobicContact CZ-CG 4.21Å; F242-M487 HydrophobicContact CZ-SD 3.51Å; F242-M487 VanDerWaalsContact CZ-SD 3.51Å; Y251-M487 HydrophobicContact CD2-SD 4.43Å; Y251-M487 HydrophobicContact CE2-CB 4.22Å; Y251-M487 HydrophobicContact CE2-CG 4.03Å; Y251-M487 HydrophobicContact CE2-SD 4.01Å; Y251-M487 WeakPolarHBondContact OH-CA 3.17Å; H254-M487 HydrophobicContact CB-CE 3.9Å; H254-M487 HydrophobicContact CB-SD 3.67Å; H254-M487 VanDerWaalsContact O-CE 3.32Å; H254-M487 WeakPolarHBondContact O-CE 3.36Å; L255-M487 HydrophobicContact CB-CG 4.04Å; L255-M487 HydrophobicContact CB-SD 4.15Å; L255-M487 HydrophobicContact CD1-CG 3.64Å; L255-M487 HydrophobicContact CG-CG 4.44Å; L255-M487 PolarHBondContact N-SD 3.4Å; L255-M487 VanDerWaalsContact N-SD 3.43Å; L258-M487 HydrophobicContact CB-CE 3.74Å; L258-M487 HydrophobicContact CD2-CB 4.44Å; L258-M487 HydrophobicContact CD2-CE 3.6Å; L258-M487 HydrophobicContact CD2-CG 4.33Å; L258-M487 HydrophobicContact CG-CE 4.3Å; K483-M487 PolarHBondContact O-N 3.22Å; V484-M487 PolarHBondContact O-N 2.99Å; V485-M487 PolarHBondContact O-N 3.23Å; M487-E490 PolarHBondContact O-N 2.91Å; M487-V491 PolarHBondContact O-N 2.83Å
488V87.7Confident80.7Confident10 Ų1054.8 Ų54.86%0.06128%0.275CS..Hα-helixtrans-65.8-38.5170.1173.20000111V238 L258 F327 V484 V485 S486 V491 L492V238-V488 HydrophobicContact CG1-CG2 3.82Å; V238-V488 HydrophobicContact CG2-CG2 4.15Å; L258-V488 HydrophobicContact CD2-CB 4.48Å; L258-V488 HydrophobicContact CD2-CG2 3.76Å; F327-V488 HydrophobicContact CB-CG1 3.9Å; F327-V488 HydrophobicContact CD1-CB 4.03Å; F327-V488 HydrophobicContact CD1-CG1 3.72Å; F327-V488 HydrophobicContact CD1-CG2 4.07Å; F327-V488 HydrophobicContact CD2-CG1 4.19Å; F327-V488 HydrophobicContact CE1-CB 4.5Å; F327-V488 HydrophobicContact CE1-CG1 4.34Å; F327-V488 HydrophobicContact CE1-CG2 4.03Å; F327-V488 HydrophobicContact CG-CB 4.44Å; F327-V488 HydrophobicContact CG-CG1 3.64Å; V484-V488 VanDerWaalsContact O-CG2 3.28Å; V484-V488 WeakPolarHBondContact O-CG2 3.33Å; V484-V488 PolarHBondContact O-N 3.01Å; V485-V488 PolarHBondContact O-N 2.87Å; S486-V488 VanDerWaalsContact C-N 3.34Å; S486-V488 PolarHBondContact O-N 2.62Å; V488-V491 PolarHBondContact O-N 3.35Å; V488-L492 HydrophobicContact CG1-CD1 3.63Å; V488-L492 HydrophobicContact CG1-CG 3.92Å; V488-L492 WeakPolarHBondContact O-CB 3.13Å; V488-L492 WeakPolarHBondContact O-CG 3.44Å; V488-L492 PolarHBondContact O-N 2.69Å
489H86.4Confident81.8Confident52 Ų5250.9 Ų50.924%0.24126%0.259CS..Hα-helixtrans-63.2-39.7174-76.3-164.9000112.2F327 V485 S486 V491 L492 Y493F327-H489 PolarHBondContact O-NE2 3.44Å; V485-H489 WeakPolarHBondContact CG1-NE2 3.01Å; V485-H489 PolarHBondContact O-CD2 2.74Å; V485-H489 VanDerWaalsContact O-CD2 3.29Å; V485-H489 PolarHBondContact O-N 2.68Å; S486-H489 WeakPolarHBondContact O-CB 3.42Å; S486-H489 PolarHBondContact O-N 2.99Å; S486-H489 VanDerWaalsContact O-N 3.16Å; H489-V491 VanDerWaalsContact C-N 3.26Å; H489-V491 PolarHBondContact O-N 3.02Å; H489-L492 PolarHBondContact O-N 3.48Å; H489-Y493 HydrophobicContact CB-CD2 3.85Å; H489-Y493 HydrophobicContact CB-CE2 3.97Å; H489-Y493 AromaticContact CD2-CE2 3.91Å; H489-Y493 AromaticContact CG-CE2 3.63Å; H489-Y493 AromaticContact ND1-CE2 3.78Å; H489-Y493 WeakPolarHBondContact O-CA 3.34Å; H489-Y493 VanDerWaalsContact O-CB 3.28Å; H489-Y493 WeakPolarHBondContact O-CB 3.27Å; H489-Y493 PolarHBondContact O-N 3.38Å
490E83.1Confident82.7Confident47 Ų4746.4 Ų46.422%0.2223%0.234CC..Hα-helixtrans-62.7-30.4174.8-74.7-174-123.600113.1Y251 L255 S486 M487 G494Y251-E490 VanDerWaalsContact CE1-OE1 3.29Å; Y251-E490 WeakPolarHBondContact CE1-OE1 3.1Å; Y251-E490 PolarHBondContact OH-OE1 3.29Å; L255-E490 HydrophobicContact CD1-CB 3.71Å; L255-E490 WeakPolarHBondContact CD2-OE2 3.34Å; S486-E490 PolarHBondContact O-N 3.49Å; M487-E490 PolarHBondContact O-N 2.91Å; E490-G494 WeakPolarHBondContact O-CA 3.46Å; E490-G494 PolarHBondContact O-N 3.4Å; E490-G494 VanDerWaalsContact O-N 3.11Å
491V86.6Confident83.1Confident4 Ų446.8 Ų46.82%0.02424%0.238CC..Hα-helixtrans-81.7-46.9175177.30000112.2L255 L258 W259 F262 M487 V488 H489 N498L255-V491 HydrophobicContact CD1-CG2 3.77Å; L258-V491 HydrophobicContact CD2-CG2 4.17Å; L258-V491 HydrophobicContact CG-CG2 4.17Å; W259-V491 HydrophobicContact CB-CG1 4.48Å; W259-V491 HydrophobicContact CB-CG2 4.1Å; F262-V491 HydrophobicContact CB-CG1 3.68Å; F262-V491 HydrophobicContact CD1-CG1 3.7Å; F262-V491 HydrophobicContact CG-CG1 3.71Å; M487-V491 PolarHBondContact O-N 2.83Å; V488-V491 PolarHBondContact O-N 3.35Å; H489-V491 VanDerWaalsContact C-N 3.26Å; H489-V491 PolarHBondContact O-N 3.02Å; V491-N498 PolarHBondContact O-ND2 2.82Å
492L88.6Confident83.7Confident2 Ų242 Ų421%0.0121%0.212CC..Hα-helixtrans-67.8-35.8-179.3-70.1-178.9000112.6F262 L324 F327 V328 V488 H489 N498 V502F262-L492 HydrophobicContact CD2-CD2 4.27Å; F262-L492 HydrophobicContact CE1-CD2 4.46Å; F262-L492 HydrophobicContact CE2-CD2 3.48Å; F262-L492 VanDerWaalsContact CE2-CD2 3.48Å; F262-L492 HydrophobicContact CZ-CD2 3.6Å; L324-L492 HydrophobicContact CD1-CD1 3.81Å; L324-L492 HydrophobicContact CD1-CD2 3.95Å; F327-L492 HydrophobicContact CB-CD1 4.23Å; V328-L492 HydrophobicContact CG2-CD1 4.02Å; V488-L492 HydrophobicContact CG1-CD1 3.63Å; V488-L492 HydrophobicContact CG1-CG 3.92Å; V488-L492 WeakPolarHBondContact O-CB 3.13Å; V488-L492 WeakPolarHBondContact O-CG 3.44Å; V488-L492 PolarHBondContact O-N 2.69Å; H489-L492 PolarHBondContact O-N 3.48Å; L492-N498 CarbonylContact O-C 3.5Å; L492-N498 WeakPolarHBondContact O-CB 3.44Å; L492-V502 HydrophobicContact CD2-CG2 4.14Å
493Y86.1Confident84.1Confident12 Ų1234.2 Ų34.25%0.04718%0.176CC..SBendtrans-107.510.5-179-47.3-39.9000113.1H489 C495 I499 P538 I539 F540 L609H489-Y493 HydrophobicContact CB-CD2 3.85Å; H489-Y493 HydrophobicContact CB-CE2 3.97Å; H489-Y493 AromaticContact CD2-CE2 3.91Å; H489-Y493 AromaticContact CG-CE2 3.63Å; H489-Y493 AromaticContact ND1-CE2 3.78Å; H489-Y493 WeakPolarHBondContact O-CA 3.34Å; H489-Y493 VanDerWaalsContact O-CB 3.28Å; H489-Y493 WeakPolarHBondContact O-CB 3.27Å; H489-Y493 PolarHBondContact O-N 3.38Å; Y493-C495 VanDerWaalsContact C-N 3.27Å; Y493-C495 PolarHBondContact O-N 2.88Å; Y493-I499 HydrophobicContact CD1-CG1 4.14Å; Y493-P538 HydrophobicContact CE2-CB 4.31Å; Y493-I539 HydrophobicContact CG-CG2 4.39Å; Y493-F540 HydrophobicContact CD1-CD1 4.34Å; Y493-F540 AromaticContact CD1-CE1 3.91Å; Y493-F540 HydrophobicContact CD1-CE1 3.91Å; Y493-F540 AromaticContact CE1-CE1 3.8Å; Y493-F540 HydrophobicContact CE1-CE1 3.8Å; Y493-L609 WeakPolarHBondContact O-CD1 3.3Å
494G79.9Confident84.5Confident31 Ų3127.3 Ų27.332%0.3215%0.146SC..SBendtrans-65.6-24.8-178.300000114.7E490E490-G494 WeakPolarHBondContact O-CA 3.46Å; E490-G494 PolarHBondContact O-N 3.4Å; E490-G494 VanDerWaalsContact O-N 3.11Å
495C81.4Confident84.9Confident41 Ų4126.7 Ų26.728%0.27714%0.142SC..SBendtrans-149.3157.8178.570.60000112.7Y493 Q497 N498 I499Y493-C495 VanDerWaalsContact C-N 3.27Å; Y493-C495 PolarHBondContact O-N 2.88Å; C495-Q497 PolarHBondContact O-N 3.02Å; C495-Q497 VanDerWaalsContact O-N 3.16Å; C495-N498 PolarHBondContact O-N 2.84Å; C495-N498 PolarHBondContact SG-N 2.73Å; C495-I499 WeakPolarHBondContact O-CG1 3.32Å; C495-I499 PolarHBondContact O-N 3.27Å
496R81.2Confident85.2Confident94 Ų9426 Ų2636%0.35514%0.138SC..Hα-helixtrans-55-34.1178.4-63.4-167.8177.4135.42.7112.9Y284 I499 N500 E608 L609Y284-R496 HydrophobicContact CD1-CG 4.2Å; Y284-R496 HydrophobicContact CD2-CB 4.03Å; Y284-R496 HydrophobicContact CD2-CG 4.16Å; Y284-R496 HydrophobicContact CE1-CG 3.79Å; Y284-R496 HydrophobicContact CE2-CB 3.66Å; Y284-R496 HydrophobicContact CE2-CG 3.76Å; Y284-R496 HydrophobicContact CG-CG 4.39Å; R496-I499 PolarHBondContact O-N 2.76Å; R496-N500 WeakPolarHBondContact O-CB 3.07Å; R496-N500 VanDerWaalsContact O-CG 3.23Å; R496-N500 PolarHBondContact O-N 3.45Å; R496-E608 VanDerWaalsContact CZ-O 3.24Å; R496-E608 IonicContact CZ-OE1 3.66Å; R496-E608 PolarHBondContact NE-O 2.88Å; R496-E608 IonicContact NH1-OE1 3.87Å; R496-E608 PolarHBondContact NH1-OE1 3.31Å; R496-E608 PolarHBondContact NH2-O 3.37Å; R496-E608 IonicContact NH2-OE1 2.89Å; R496-E608 PolarHBondContact NH2-OE1 3.43Å; R496-L609 HydrophobicContact CG-CD2 3.64Å
497Q80.6Confident85.3Confident135 Ų13525 Ų2563%0.63113%0.128SC*.Hα-helixtrans-65.3-44.5179.9-63170.3-5.100112.3C495 N500 L501C495-Q497 PolarHBondContact O-N 3.02Å; C495-Q497 VanDerWaalsContact O-N 3.16Å; Q497-N500 PolarHBondContact O-N 2.7Å; Q497-L501 VanDerWaalsContact O-CB 3.32Å; Q497-L501 WeakPolarHBondContact O-CB 3.46Å; Q497-L501 PolarHBondContact O-N 3.44Å
498N86.4Confident85.4Confident3 Ų326 Ų262%0.01613%0.132CC..Hα-helixtrans-70.3-35.3178.1-69.9-0.5000111K266 V491 L492 C495 L501 V502K266-N498 PolarHBondContact NZ-OD1 3.18Å; V491-N498 PolarHBondContact O-ND2 2.82Å; L492-N498 CarbonylContact O-C 3.5Å; L492-N498 WeakPolarHBondContact O-CB 3.44Å; C495-N498 PolarHBondContact O-N 2.84Å; C495-N498 PolarHBondContact SG-N 2.73Å; N498-L501 PolarHBondContact O-N 3.28Å; N498-V502 WeakPolarHBondContact O-CG2 3.27Å; N498-V502 PolarHBondContact O-N 2.95Å
499I86.5Confident85.3Confident0 Ų025.6 Ų25.60%013%0.13CC..Hα-helixtrans-62.6-47.5173.7-66.4164.3000111.2I283 Y284 Y493 C495 R496 L501 V502 Q503 F540 L609I283-I499 HydrophobicContact CD1-CG2 3.64Å; I283-I499 HydrophobicContact CG1-CG2 4.47Å; Y284-I499 HydrophobicContact CE2-CB 4.49Å; Y284-I499 HydrophobicContact CE2-CG2 4.17Å; Y284-I499 VanDerWaalsContact OH-CD1 3.28Å; Y284-I499 WeakPolarHBondContact OH-CD1 3.24Å; Y493-I499 HydrophobicContact CD1-CG1 4.14Å; C495-I499 WeakPolarHBondContact O-CG1 3.32Å; C495-I499 PolarHBondContact O-N 3.27Å; R496-I499 PolarHBondContact O-N 2.76Å; I499-L501 VanDerWaalsContact C-N 3.34Å; I499-L501 PolarHBondContact O-N 3.32Å; I499-V502 PolarHBondContact O-N 3.33Å; I499-Q503 WeakPolarHBondContact O-CG 2.94Å; I499-Q503 PolarHBondContact O-N 3.34Å; I499-F540 HydrophobicContact CB-CD1 4.35Å; I499-F540 HydrophobicContact CD1-CB 4.29Å; I499-F540 HydrophobicContact CD1-CD1 3.98Å; I499-F540 HydrophobicContact CD1-CG 4.48Å; I499-F540 HydrophobicContact CG1-CD1 3.95Å; I499-F540 HydrophobicContact CG1-CE1 4.43Å; I499-F540 HydrophobicContact CG2-CB 4.17Å; I499-F540 HydrophobicContact CG2-CD1 3.47Å; I499-F540 VanDerWaalsContact CG2-CD1 3.47Å; I499-F540 HydrophobicContact CG2-CD2 4.09Å; I499-F540 HydrophobicContact CG2-CE1 3.83Å; I499-F540 HydrophobicContact CG2-CE2 4.39Å; I499-F540 HydrophobicContact CG2-CG 3.63Å; I499-F540 HydrophobicContact CG2-CZ 4.29Å; I499-L609 HydrophobicContact CD1-CB 4.49Å; I499-L609 HydrophobicContact CD1-CD1 4.36Å; I499-L609 HydrophobicContact CD1-CD2 4.47Å
500N85.9Confident85.3Confident22 Ų2223.3 Ų23.312%0.11812%0.119CC..Hα-helixtrans-59.1-44.7175-75.2-11.3000111.8Y281 S282 I283 Y284 R496 Q497 Q503 D504Y281-N500 WeakPolarHBondContact O-CB 3.47Å; Y281-N500 PolarHBondContact O-ND2 3.19Å; S282-N500 WeakPolarHBondContact CA-ND2 3.43Å; S282-N500 PolarHBondContact OG-ND2 3.43Å; I283-N500 PolarHBondContact N-OD1 3.07Å; I283-N500 VanDerWaalsContact N-OD1 3.09Å; Y284-N500 WeakPolarHBondContact CD2-OD1 3.33Å; R496-N500 WeakPolarHBondContact O-CB 3.07Å; R496-N500 VanDerWaalsContact O-CG 3.23Å; R496-N500 PolarHBondContact O-N 3.45Å; Q497-N500 PolarHBondContact O-N 2.7Å; N500-Q503 PolarHBondContact O-N 2.94Å; N500-Q503 VanDerWaalsContact O-N 3.17Å; N500-D504 PolarHBondContact O-N 3.39Å
501L87.5Confident85.3Confident28 Ų2825.7 Ų25.715%0.14713%0.133CC..Hα-helixtrans-61.4-43178.8179.662.4000112.6K266 L270 L277 Q497 N498 I499 Q503 D504 I505K266-L501 HydrophobicContact CD-CD2 3.72Å; K266-L501 HydrophobicContact CG-CD2 3.8Å; L270-L501 HydrophobicContact CD1-CD1 4.07Å; L270-L501 HydrophobicContact CD1-CD2 3.77Å; L270-L501 HydrophobicContact CD1-CG 4.14Å; L277-L501 HydrophobicContact CD1-CD1 3.9Å; L277-L501 HydrophobicContact CD2-CD1 3.94Å; Q497-L501 VanDerWaalsContact O-CB 3.32Å; Q497-L501 WeakPolarHBondContact O-CB 3.46Å; Q497-L501 PolarHBondContact O-N 3.44Å; N498-L501 PolarHBondContact O-N 3.28Å; I499-L501 VanDerWaalsContact C-N 3.34Å; I499-L501 PolarHBondContact O-N 3.32Å; L501-Q503 VanDerWaalsContact C-N 3.28Å; L501-Q503 PolarHBondContact O-N 3.23Å; L501-D504 PolarHBondContact O-N 2.54Å; L501-I505 HydrophobicContact CD1-CD1 4.18Å; L501-I505 HydrophobicContact CG-CD1 4.06Å; L501-I505 WeakPolarHBondContact O-CD1 3.36Å; L501-I505 VanDerWaalsContact O-CG1 3.24Å; L501-I505 WeakPolarHBondContact O-CG1 3.42Å; L501-I505 PolarHBondContact O-N 2.72Å
502V89Confident85.1Confident2 Ų226.1 Ų26.11%0.01214%0.135CC..Hα-helixtrans-59.9-39.8174.4167.20000111.1L324 V328 L492 N498 I499 L506L324-V502 HydrophobicContact CD1-CG2 4.23Å; L324-V502 HydrophobicContact CD2-CG1 4.26Å; L324-V502 HydrophobicContact CD2-CG2 4.3Å; V328-V502 HydrophobicContact CG2-CG1 4.3Å; L492-V502 HydrophobicContact CD2-CG2 4.14Å; N498-V502 WeakPolarHBondContact O-CG2 3.27Å; N498-V502 PolarHBondContact O-N 2.95Å; I499-V502 PolarHBondContact O-N 3.33Å; V502-L506 HydrophobicContact CG1-CD1 4.01Å; V502-L506 VanDerWaalsContact O-CG 3.28Å; V502-L506 WeakPolarHBondContact O-CG 3.23Å; V502-L506 PolarHBondContact O-N 3.49Å; V502-L506 VanDerWaalsContact O-N 3.09Å
503Q86.1Confident84.7Confident0 Ų029.1 Ų29.10%016%0.155CC..Hα-helixtrans-73-38.4179.8-64.1-69.4-2.200112.8Y281 I283 I499 N500 L501 L506 H507 F540Y281-Q503 HydrophobicContact CE1-CB 3.75Å; I283-Q503 HydrophobicContact CG2-CB 4.05Å; I283-Q503 HydrophobicContact CG2-CG 3.9Å; I499-Q503 WeakPolarHBondContact O-CG 2.94Å; I499-Q503 PolarHBondContact O-N 3.34Å; N500-Q503 PolarHBondContact O-N 2.94Å; N500-Q503 VanDerWaalsContact O-N 3.17Å; L501-Q503 VanDerWaalsContact C-N 3.28Å; L501-Q503 PolarHBondContact O-N 3.23Å; Q503-L506 PolarHBondContact O-N 2.72Å; Q503-H507 VanDerWaalsContact O-CB 3.3Å; Q503-H507 WeakPolarHBondContact O-CB 3.25Å; Q503-H507 PolarHBondContact O-N 2.87Å; Q503-F540 VanDerWaalsContact NE2-CE2 3.29Å; Q503-F540 VanDerWaalsContact NE2-CZ 3.33Å
504D86.2Confident84.5Confident8 Ų829 Ų294%0.04316%0.155CC..Hα-helixtrans-65.3-39.1174.3-163.95.2000111.5L277 S278 Y281 N500 L501 H507 Q508L277-D504 WeakPolarHBondContact CA-OD2 3.24Å; L277-D504 HydrophobicContact CD2-CB 3.87Å; L277-D504 WeakPolarHBondContact CD2-OD2 3.48Å; S278-D504 PolarHBondContact N-OD2 2.88Å; Y281-D504 HydrophobicContact CD1-CB 3.78Å; Y281-D504 HydrophobicContact CD2-CB 4.09Å; Y281-D504 HydrophobicContact CE1-CB 4.16Å; Y281-D504 HydrophobicContact CE2-CB 4.43Å; Y281-D504 HydrophobicContact CG-CB 3.75Å; N500-D504 PolarHBondContact O-N 3.39Å; L501-D504 PolarHBondContact O-N 2.54Å; D504-H507 WeakPolarHBondContact O-CB 3.48Å; D504-H507 PolarHBondContact O-N 2.93Å; D504-H507 IonicContact OD1-ND1 3.84Å; D504-Q508 WeakPolarHBondContact O-CG 3.13Å; D504-Q508 PolarHBondContact O-N 3.28Å; D504-Q508 PolarHBondContact OD1-NE2 2.82Å
505I89.2Confident84.4Confident4 Ų430.9 Ų30.92%0.02116%0.155CC..Hα-helixtrans-61.7-46.2173.4-68.1165000111.4L270 F274 L277 F320 L324 L501 H507 Q508 A509L270-I505 HydrophobicContact CD1-CD1 3.93Å; L270-I505 HydrophobicContact CD2-CD1 3.77Å; L270-I505 HydrophobicContact CD2-CG1 4.43Å; F274-I505 HydrophobicContact CE1-CG2 4.24Å; F274-I505 HydrophobicContact CE2-CG1 4.47Å; F274-I505 HydrophobicContact CE2-CG2 4.12Å; F274-I505 HydrophobicContact CZ-CG2 3.77Å; L277-I505 HydrophobicContact CD2-CG1 4Å; F320-I505 HydrophobicContact CD1-CG2 4.32Å; F320-I505 HydrophobicContact CE1-CD1 4.04Å; L324-I505 HydrophobicContact CD2-CB 4.17Å; L324-I505 HydrophobicContact CD2-CD1 4.16Å; L324-I505 HydrophobicContact CD2-CG2 3.77Å; L501-I505 HydrophobicContact CD1-CD1 4.18Å; L501-I505 HydrophobicContact CG-CD1 4.06Å; L501-I505 WeakPolarHBondContact O-CD1 3.36Å; L501-I505 VanDerWaalsContact O-CG1 3.24Å; L501-I505 WeakPolarHBondContact O-CG1 3.42Å; L501-I505 PolarHBondContact O-N 2.72Å; I505-H507 VanDerWaalsContact C-N 3.35Å; I505-Q508 PolarHBondContact O-N 3.25Å; I505-A509 VanDerWaalsContact O-CB 3.29Å; I505-A509 WeakPolarHBondContact O-CB 3.42Å; I505-A509 PolarHBondContact O-N 3.22Å
506L88Confident84.5Confident0 Ų029.5 Ų29.50%015%0.146CC..Hα-helixtrans-69.2-32.8179-67.8170.9000112.3V502 Q503 L510 I523 Y527 W530V502-L506 HydrophobicContact CG1-CD1 4.01Å; V502-L506 VanDerWaalsContact O-CG 3.28Å; V502-L506 WeakPolarHBondContact O-CG 3.23Å; V502-L506 PolarHBondContact O-N 3.49Å; V502-L506 VanDerWaalsContact O-N 3.09Å; Q503-L506 PolarHBondContact O-N 2.72Å; L506-L510 WeakPolarHBondContact O-CG 3.39Å; L506-L510 PolarHBondContact O-N 3.16Å; L506-I523 HydrophobicContact CD2-CG1 4.41Å; L506-I523 HydrophobicContact CD2-CG2 4.12Å; L506-Y527 HydrophobicContact CB-CE1 4.24Å; L506-Y527 HydrophobicContact CD1-CE1 4.11Å; L506-W530 HydrophobicContact CD1-CH2 3.79Å; L506-W530 HydrophobicContact CD1-CZ2 3.91Å
507H83.8Confident84.5Confident30 Ų3026.4 Ų26.414%0.13914%0.136CC..Hα-helixtrans-61.8-53.6170.2166.9-131.2000111.3Y281 Q503 D504 I505 A509 L510 N623Y281-H507 AromaticContact CE2-ND1 3.83Å; Q503-H507 VanDerWaalsContact O-CB 3.3Å; Q503-H507 WeakPolarHBondContact O-CB 3.25Å; Q503-H507 PolarHBondContact O-N 2.87Å; D504-H507 WeakPolarHBondContact O-CB 3.48Å; D504-H507 PolarHBondContact O-N 2.93Å; D504-H507 IonicContact OD1-ND1 3.84Å; I505-H507 VanDerWaalsContact C-N 3.35Å; H507-A509 VanDerWaalsContact C-N 3.29Å; H507-A509 PolarHBondContact O-N 3.05Å; H507-L510 PolarHBondContact O-N 3.33Å; H507-L510 VanDerWaalsContact O-N 3.09Å; H507-N623 PolarHBondContact CD2-OD1 3.13Å
508Q83Confident84.5Confident22 Ų2224.3 Ų24.310%0.10312%0.124CC..Hα-helixtrans-64.1-34.3179.7-69.6179.343.700112.3F274 C276 D504 I505 L510 L511F274-Q508 HydrophobicContact CD1-CB 4.16Å; F274-Q508 HydrophobicContact CE1-CB 4.46Å; C276-Q508 PolarHBondContact O-NE2 3.15Å; D504-Q508 WeakPolarHBondContact O-CG 3.13Å; D504-Q508 PolarHBondContact O-N 3.28Å; D504-Q508 PolarHBondContact OD1-NE2 2.82Å; I505-Q508 PolarHBondContact O-N 3.25Å; Q508-L510 VanDerWaalsContact C-N 3.26Å; Q508-L510 PolarHBondContact O-N 3.09Å; Q508-L511 WeakPolarHBondContact O-CB 3.48Å; Q508-L511 PolarHBondContact O-N 2.74Å; Q508-L511 VanDerWaalsContact O-N 3.07Å
509A85.6Confident84.2Confident0 Ų024.3 Ų24.30%013%0.125CC..Hα-helixtrans-67-23.6175.200000113.7A321 I505 H507 L511 L512 L520 I523A321-A509 HydrophobicContact CB-CB 3.54Å; I505-A509 VanDerWaalsContact O-CB 3.29Å; I505-A509 WeakPolarHBondContact O-CB 3.42Å; I505-A509 PolarHBondContact O-N 3.22Å; H507-A509 VanDerWaalsContact C-N 3.29Å; H507-A509 PolarHBondContact O-N 3.05Å; A509-L511 VanDerWaalsContact C-N 3.3Å; A509-L512 HydrophobicContact CB-CD1 4.35Å; A509-L512 WeakPolarHBondContact O-CB 3.44Å; A509-L512 WeakPolarHBondContact O-CD1 3.46Å; A509-L512 WeakPolarHBondContact O-CG 3.02Å; A509-L520 WeakPolarHBondContact O-CD2 3.34Å; A509-I523 HydrophobicContact CB-CD1 3.55Å
510L85.8Confident84.3Confident5 Ų524.5 Ų24.53%0.02613%0.126CC..THydrogen-bonded Turntrans-81.6-5.6172.1-75165.7000113.7L506 H507 Q508 L520 I523 V524 Y527 N623 I627L506-L510 WeakPolarHBondContact O-CG 3.39Å; L506-L510 PolarHBondContact O-N 3.16Å; H507-L510 PolarHBondContact O-N 3.33Å; H507-L510 VanDerWaalsContact O-N 3.09Å; Q508-L510 VanDerWaalsContact C-N 3.26Å; Q508-L510 PolarHBondContact O-N 3.09Å; L510-L520 HydrophobicContact CD2-CD2 4.24Å; L510-I523 HydrophobicContact CD1-CG2 3.96Å; L510-I523 HydrophobicContact CD2-CB 4.38Å; L510-I523 HydrophobicContact CD2-CG2 3.94Å; L510-I523 HydrophobicContact CG-CG2 3.78Å; L510-V524 HydrophobicContact CD2-CG2 4Å; L510-Y527 HydrophobicContact CD1-CD2 4.18Å; L510-Y527 HydrophobicContact CD1-CE2 3.41Å; L510-Y527 VanDerWaalsContact CD1-CE2 3.41Å; L510-N623 HydrophobicContact CD1-CB 3.75Å; L510-I627 HydrophobicContact CD2-CD1 4.01Å
511L83.6Confident84.5Confident96 Ų9626.1 Ų26.150%0.50313%0.132SC..THydrogen-bonded Turntrans-94.41.5171.5-57176.6000112.8Q508 A509 N626Q508-L511 WeakPolarHBondContact O-CB 3.48Å; Q508-L511 PolarHBondContact O-N 2.74Å; Q508-L511 VanDerWaalsContact O-N 3.07Å; A509-L511 VanDerWaalsContact C-N 3.3Å; L511-N626 HydrophobicContact CD2-CB 4.07Å
512L83.2Confident84.6Confident14 Ų1426.4 Ų26.47%0.07313%0.132CC..SBendtrans-69.3150.6179.4-68.7174.2000112.5Q317 L318 A509 C516Q317-L512 HydrophobicContact CB-CD2 4.2Å; L318-L512 HydrophobicContact CB-CD1 4.33Å; L318-L512 HydrophobicContact CD1-CD1 4.01Å; A509-L512 HydrophobicContact CB-CD1 4.35Å; A509-L512 WeakPolarHBondContact O-CB 3.44Å; A509-L512 WeakPolarHBondContact O-CD1 3.46Å; A509-L512 WeakPolarHBondContact O-CG 3.02Å; L512-C516 HydrophobicContact CB-CB 4.33Å
513P79.2Confident84.6Confident65 Ų6526.3 Ų26.342%0.42213%0.131SC..  trans-57.3147.6178.9-25.134.5000113.6E515 C516P513-E515 HydrophobicContact CB-CG 4.38Å; P513-E515 PolarHBondContact O-N 2.9Å; P513-C516 WeakPolarHBondContact O-CB 3.38Å; P513-C516 PolarHBondContact O-N 2.7Å
514L81.9Confident84.8Confident8 Ų826.3 Ų26.34%0.04213%0.131CC..G310 helixtrans-58.2-16.7-179.6-79.2169.3000114.7C516 H517 L520 A630 Q657 L660L514-C516 PolarHBondContact O-N 2.88Å; L514-H517 WeakPolarHBondContact O-CB 3.42Å; L514-H517 PolarHBondContact O-N 3.16Å; L514-L520 HydrophobicContact CD2-CD1 4.16Å; L514-A630 HydrophobicContact CD1-CB 3.82Å; L514-A630 HydrophobicContact CD2-CB 4.38Å; L514-A630 HydrophobicContact CG-CB 3.86Å; L514-Q657 HydrophobicContact CD1-CB 4.04Å; L514-Q657 HydrophobicContact CD1-CG 4.04Å; L514-Q657 HydrophobicContact CD2-CB 4.19Å; L514-Q657 HydrophobicContact CD2-CG 4.29Å; L514-L660 HydrophobicContact CD2-CD1 3.97Å
515E78.8Confident84.9Confident71 Ų7128.2 Ų28.233%0.33214%0.143SC..G310 helixtrans-54.9-35.4169.9-42.1-153.2115.700110.9P513 H517 N634 Y653P513-E515 HydrophobicContact CB-CG 4.38Å; P513-E515 PolarHBondContact O-N 2.9Å; E515-H517 PolarHBondContact O-N 2.99Å; E515-H517 VanDerWaalsContact O-N 3.1Å; E515-H517 PolarHBondContact O-ND1 3.28Å; E515-N634 PolarHBondContact OE1-ND2 2.75Å; E515-Y653 HydrophobicContact CB-CE1 4.21Å; E515-Y653 HydrophobicContact CB-CE2 4.38Å; E515-Y653 VanDerWaalsContact CD-OH 3.27Å; E515-Y653 HydrophobicContact CG-CD2 4.39Å; E515-Y653 HydrophobicContact CG-CE1 4.33Å; E515-Y653 HydrophobicContact CG-CE2 3.63Å; E515-Y653 WeakPolarHBondContact CG-OH 3.41Å; E515-Y653 WeakPolarHBondContact OE1-CE2 3.46Å; E515-Y653 VanDerWaalsContact OE1-CZ 3.27Å; E515-Y653 PolarHBondContact OE1-OH 3.22Å
516C82.3Confident84.9Confident12 Ų1228 Ų288%0.08114%0.142CC..G310 helixtrans-74.612.5177.2-63.40000114.9L318 L512 P513 L514 K518 A519 L520L318-C516 HydrophobicContact CD1-CB 3.58Å; L512-C516 HydrophobicContact CB-CB 4.33Å; P513-C516 WeakPolarHBondContact O-CB 3.38Å; P513-C516 PolarHBondContact O-N 2.7Å; L514-C516 PolarHBondContact O-N 2.88Å; C516-K518 PolarHBondContact O-N 3.01Å; C516-A519 PolarHBondContact O-N 3.09Å; C516-L520 PolarHBondContact O-N 2.7Å
517H83.1Confident85Confident30 Ų3028 Ų2814%0.13914%0.142CC..Hα-helixtrans-37.6-42.6-17462.7-70.2000116.3L514 E515 A519 L520 F521 Y656 L660L514-H517 WeakPolarHBondContact O-CB 3.42Å; L514-H517 PolarHBondContact O-N 3.16Å; E515-H517 PolarHBondContact O-N 2.99Å; E515-H517 VanDerWaalsContact O-N 3.1Å; E515-H517 PolarHBondContact O-ND1 3.28Å; H517-A519 VanDerWaalsContact C-N 3.31Å; H517-A519 PolarHBondContact O-N 3.46Å; H517-L520 PolarHBondContact O-N 3.03Å; H517-F521 WeakPolarHBondContact O-CD2 3.13Å; H517-F521 PolarHBondContact O-N 3.47Å; H517-Y656 HydrophobicContact CB-CG 4.23Å; H517-Y656 AromaticContact CD2-CD1 3.46Å; H517-Y656 VanDerWaalsContact CD2-CD1 3.46Å; H517-Y656 WeakPolarHBondContact CD2-CD1 2.9Å; H517-Y656 AromaticContact CD2-CE1 3.76Å; H517-Y656 AromaticContact CD2-CG 3.68Å; H517-Y656 AromaticContact CG-CG 3.92Å; H517-Y656 AromaticContact NE2-CD1 3.98Å; H517-Y656 AromaticContact NE2-CE1 3.79Å; H517-Y656 AromaticContact NE2-CZ 3.9Å; H517-L660 HydrophobicContact CB-CD1 4.41Å
518K80.5Confident85.2Confident90 Ų9026.8 Ų26.839%0.39114%0.138SC..Hα-helixtrans-58.1-38.7179.8-68-173.3176.9-178.30113.5F473 C516 F522F473-K518 HydrophobicContact CD2-CD 3.87Å; F473-K518 HydrophobicContact CE2-CD 3.99Å; C516-K518 PolarHBondContact O-N 3.01Å; K518-F522 PolarHBondContact O-N 3.35Å
519A79.9Confident85.4Confident4 Ų425.9 Ų25.93%0.03313%0.134CC..Hα-helixtrans-78.6-37.2176.900000111.9L318 C322 C516 H517 F521 F522 I523L318-A519 HydrophobicContact CD1-CB 3.18Å; L318-A519 HydrophobicContact CG-CB 4.17Å; C322-A519 WeakPolarHBondContact SG-CB 3.28Å; C516-A519 PolarHBondContact O-N 3.09Å; H517-A519 VanDerWaalsContact C-N 3.31Å; H517-A519 PolarHBondContact O-N 3.46Å; A519-F521 PolarHBondContact O-N 2.98Å; A519-F522 PolarHBondContact O-N 3.07Å; A519-I523 WeakPolarHBondContact O-CD1 3.2Å; A519-I523 VanDerWaalsContact O-CG1 3.31Å; A519-I523 WeakPolarHBondContact O-CG1 3.3Å; A519-I523 PolarHBondContact O-N 3.2Å
520L87.6Confident85.5Confident4 Ų425.9 Ų25.92%0.02113%0.134CC..Hα-helixtrans-57-42.5172.1-62.3175.2000110.2A509 L510 L514 C516 H517 F522 V524 L660A509-L520 WeakPolarHBondContact O-CD2 3.34Å; L510-L520 HydrophobicContact CD2-CD2 4.24Å; L514-L520 HydrophobicContact CD2-CD1 4.16Å; C516-L520 PolarHBondContact O-N 2.7Å; H517-L520 PolarHBondContact O-N 3.03Å; L520-F522 PolarHBondContact O-N 3.31Å; L520-V524 WeakPolarHBondContact O-CB 3.06Å; L520-V524 WeakPolarHBondContact O-CG2 3.41Å; L520-V524 PolarHBondContact O-N 3.5Å; L520-L660 HydrophobicContact CB-CD1 3.98Å; L520-L660 HydrophobicContact CB-CD2 3.86Å; L520-L660 HydrophobicContact CD1-CD1 4.06Å
521F89.6Confident85.3Confident56 Ų5625.8 Ų25.825%0.24613%0.133CC..Hα-helixtrans-59.1-46.4171.6-85.8-66.9000111.8H517 A519 T525 D659 L660 L663H517-F521 WeakPolarHBondContact O-CD2 3.13Å; H517-F521 PolarHBondContact O-N 3.47Å; A519-F521 PolarHBondContact O-N 2.98Å; F521-T525 VanDerWaalsContact O-CB 3.27Å; F521-T525 WeakPolarHBondContact O-CB 3.48Å; F521-T525 PolarHBondContact O-N 2.81Å; F521-T525 PolarHBondContact O-OG1 3.09Å; F521-D659 HydrophobicContact CE1-CB 4.39Å; F521-D659 HydrophobicContact CZ-CB 3.8Å; F521-L660 HydrophobicContact CB-CD2 4.15Å; F521-L660 HydrophobicContact CD1-CD2 3.55Å; F521-L660 HydrophobicContact CD1-CG 4.26Å; F521-L660 HydrophobicContact CD2-CD2 3.72Å; F521-L660 HydrophobicContact CD2-CG 4.1Å; F521-L660 HydrophobicContact CE1-CB 4.47Å; F521-L660 HydrophobicContact CE1-CD2 3.74Å; F521-L660 HydrophobicContact CE1-CG 3.94Å; F521-L660 HydrophobicContact CE2-CD2 3.9Å; F521-L660 HydrophobicContact CE2-CG 3.77Å; F521-L660 HydrophobicContact CG-CD2 3.52Å; F521-L660 HydrophobicContact CG-CG 4.31Å; F521-L660 HydrophobicContact CZ-CB 4.39Å; F521-L660 HydrophobicContact CZ-CD2 3.91Å; F521-L660 HydrophobicContact CZ-CG 3.68Å; F521-L663 HydrophobicContact CD1-CD2 3.9Å; F521-L663 HydrophobicContact CE1-CD2 4.48Å
522F89.7Confident85.1Confident33 Ų3326.1 Ų26.115%0.14513%0.132CC..Hα-helixtrans-66-43.6-179.1-172.4-152.1000112.6A325 Y329 F477 K518 A519 L520 T525 V526A325-F522 HydrophobicContact CB-CD1 3.7Å; A325-F522 HydrophobicContact CB-CE1 3.41Å; A325-F522 VanDerWaalsContact CB-CE1 3.41Å; A325-F522 HydrophobicContact CB-CG 4.4Å; A325-F522 HydrophobicContact CB-CZ 3.88Å; Y329-F522 HydrophobicContact CG-CE2 4.3Å; F477-F522 AromaticContact CD1-CE1 3.99Å; F477-F522 HydrophobicContact CD1-CE1 3.99Å; F477-F522 HydrophobicContact CD1-CZ 4.47Å; F477-F522 AromaticContact CE1-CD1 3.67Å; F477-F522 HydrophobicContact CE1-CD1 3.67Å; F477-F522 AromaticContact CE1-CE1 3.56Å; F477-F522 HydrophobicContact CE1-CE1 3.56Å; F477-F522 HydrophobicContact CE1-CG 4.44Å; F477-F522 HydrophobicContact CE1-CZ 4.28Å; F477-F522 HydrophobicContact CZ-CD1 4.23Å; F477-F522 HydrophobicContact CZ-CE1 4.43Å; K518-F522 PolarHBondContact O-N 3.35Å; A519-F522 PolarHBondContact O-N 3.07Å; L520-F522 PolarHBondContact O-N 3.31Å; F522-T525 CarbonylContact O-C 3.5Å; F522-T525 WeakPolarHBondContact O-CA 3.31Å; F522-T525 WeakPolarHBondContact O-CB 3.2Å; F522-T525 PolarHBondContact O-N 2.64Å; F522-T525 VanDerWaalsContact O-N 3.14Å; F522-V526 HydrophobicContact CD2-CG2 4.32Å; F522-V526 HydrophobicContact CE2-CG2 4.17Å; F522-V526 WeakPolarHBondContact O-CG2 3.42Å; F522-V526 PolarHBondContact O-N 3.37Å
523I89.1Confident85Confident0 Ų028 Ų280%014%0.143CC..Hα-helixtrans-66-43.4179-63.5156.2000111.1A321 L506 A509 L510 A519 T525 V526 Y527A321-I523 HydrophobicContact CB-CD1 4.35Å; L506-I523 HydrophobicContact CD2-CG1 4.41Å; L506-I523 HydrophobicContact CD2-CG2 4.12Å; A509-I523 HydrophobicContact CB-CD1 3.55Å; L510-I523 HydrophobicContact CD1-CG2 3.96Å; L510-I523 HydrophobicContact CD2-CB 4.38Å; L510-I523 HydrophobicContact CD2-CG2 3.94Å; L510-I523 HydrophobicContact CG-CG2 3.78Å; A519-I523 WeakPolarHBondContact O-CD1 3.2Å; A519-I523 VanDerWaalsContact O-CG1 3.31Å; A519-I523 WeakPolarHBondContact O-CG1 3.3Å; A519-I523 PolarHBondContact O-N 3.2Å; I523-T525 VanDerWaalsContact C-N 3.27Å; I523-T525 PolarHBondContact O-N 2.68Å; I523-V526 WeakPolarHBondContact O-CB 3.38Å; I523-V526 PolarHBondContact O-N 3.06Å; I523-Y527 PolarHBondContact O-N 3.43Å
524V90.5Very high84.7Confident0 Ų029.9 Ų29.90%014%0.144CC..Hα-helixtrans-61.4-38.3172.2172.50000110.7L510 L520 Y527 G528 M624 I627 L663 V664 I667L510-V524 HydrophobicContact CD2-CG2 4Å; L520-V524 WeakPolarHBondContact O-CB 3.06Å; L520-V524 WeakPolarHBondContact O-CG2 3.41Å; L520-V524 PolarHBondContact O-N 3.5Å; V524-Y527 PolarHBondContact O-N 3.41Å; V524-G528 PolarHBondContact O-N 3.22Å; V524-M624 HydrophobicContact CG1-SD 4.11Å; V524-M624 HydrophobicContact CG2-CG 4.34Å; V524-I627 HydrophobicContact CG2-CD1 3.51Å; V524-L663 HydrophobicContact CB-CD2 4.2Å; V524-L663 HydrophobicContact CG1-CB 4.39Å; V524-L663 HydrophobicContact CG1-CD2 3.64Å; V524-L663 HydrophobicContact CG1-CG 3.72Å; V524-V664 HydrophobicContact CG1-CG2 3.89Å; V524-V664 HydrophobicContact CG2-CG2 4.08Å; V524-I667 HydrophobicContact CG1-CD1 3.45Å; V524-I667 VanDerWaalsContact CG1-CD1 3.45Å; V524-I667 VanDerWaalsContact O-CD1 3.23Å; V524-I667 WeakPolarHBondContact O-CD1 3.38Å
525T88.9Confident84.2Confident48 Ų4838 Ų3829%0.29418%0.182SC..Hα-helixtrans-68.1-33.8175.9-56.50000112.5Y329 F521 F522 I523 G528 S529Y329-T525 HydrophobicContact CE2-CG2 3.91Å; F521-T525 VanDerWaalsContact O-CB 3.27Å; F521-T525 WeakPolarHBondContact O-CB 3.48Å; F521-T525 PolarHBondContact O-N 2.81Å; F521-T525 PolarHBondContact O-OG1 3.09Å; F522-T525 CarbonylContact O-C 3.5Å; F522-T525 WeakPolarHBondContact O-CA 3.31Å; F522-T525 WeakPolarHBondContact O-CB 3.2Å; F522-T525 PolarHBondContact O-N 2.64Å; F522-T525 VanDerWaalsContact O-N 3.14Å; I523-T525 VanDerWaalsContact C-N 3.27Å; I523-T525 PolarHBondContact O-N 2.68Å; T525-G528 PolarHBondContact O-N 2.98Å; T525-S529 WeakPolarHBondContact O-CB 3.35Å; T525-S529 PolarHBondContact O-N 3.38Å
526V88.7Confident84Confident0 Ų039.8 Ų39.80%019%0.193CC..Hα-helixtrans-61.4-51.3170.5168.50000110.3A325 V328 Y329 F522 I523 G528 S529 W530A325-V526 HydrophobicContact CB-CG2 3.91Å; V328-V526 HydrophobicContact CG1-CG1 3.97Å; Y329-V526 HydrophobicContact CD2-CG2 4.23Å; F522-V526 HydrophobicContact CD2-CG2 4.32Å; F522-V526 HydrophobicContact CE2-CG2 4.17Å; F522-V526 WeakPolarHBondContact O-CG2 3.42Å; F522-V526 PolarHBondContact O-N 3.37Å; I523-V526 WeakPolarHBondContact O-CB 3.38Å; I523-V526 PolarHBondContact O-N 3.06Å; V526-G528 VanDerWaalsContact C-N 3.32Å; V526-G528 PolarHBondContact O-N 3.29Å; V526-S529 PolarHBondContact O-N 3.47Å; V526-S529 VanDerWaalsContact O-N 3.11Å; V526-S529 PolarHBondContact O-OG 3.21Å; V526-W530 HydrophobicContact CG1-CZ2 3.62Å; V526-W530 VanDerWaalsContact O-CD1 3.31Å; V526-W530 PolarHBondContact O-N 3.18Å; V526-W530 VanDerWaalsContact O-N 3.16Å
527Y89.7Confident83.9Confident0 Ų040 Ų400%019%0.192CC..Hα-helixtrans-60-39.5176.2-76.1-5.8000112.8L506 L510 I523 V524 W530 L531 M620 N623 M624L506-Y527 HydrophobicContact CB-CE1 4.24Å; L506-Y527 HydrophobicContact CD1-CE1 4.11Å; L510-Y527 HydrophobicContact CD1-CD2 4.18Å; L510-Y527 HydrophobicContact CD1-CE2 3.41Å; L510-Y527 VanDerWaalsContact CD1-CE2 3.41Å; I523-Y527 PolarHBondContact O-N 3.43Å; V524-Y527 PolarHBondContact O-N 3.41Å; Y527-W530 HydrophobicContact CD1-CD2 4.48Å; Y527-W530 AromaticContact CD1-CE3 3.99Å; Y527-W530 HydrophobicContact CD1-CE3 3.99Å; Y527-W530 AromaticContact CD1-CH2 3.59Å; Y527-W530 HydrophobicContact CD1-CH2 3.59Å; Y527-W530 HydrophobicContact CD1-CZ2 4.11Å; Y527-W530 AromaticContact CD1-CZ3 3.53Å; Y527-W530 HydrophobicContact CD1-CZ3 3.53Å; Y527-W530 HydrophobicContact CE1-CE3 4.49Å; Y527-W530 AromaticContact CE1-CH2 3.45Å; Y527-W530 HydrophobicContact CE1-CH2 3.45Å; Y527-W530 VanDerWaalsContact CE1-CH2 3.45Å; Y527-W530 HydrophobicContact CE1-CZ2 4.27Å; Y527-W530 AromaticContact CE1-CZ3 3.59Å; Y527-W530 HydrophobicContact CE1-CZ3 3.59Å; Y527-W530 PolarHBondContact O-N 3.07Å; Y527-L531 PolarHBondContact O-N 2.82Å; Y527-M620 HydrophobicContact CD1-CE 4.22Å; Y527-M620 HydrophobicContact CD1-CG 3.96Å; Y527-M620 HydrophobicContact CD2-CB 3.96Å; Y527-M620 HydrophobicContact CD2-CG 4.07Å; Y527-M620 HydrophobicContact CE1-CG 4.03Å; Y527-M620 HydrophobicContact CE2-CB 4.11Å; Y527-M620 HydrophobicContact CE2-CG 4.14Å; Y527-M620 HydrophobicContact CG-CB 4.27Å; Y527-M620 HydrophobicContact CG-CE 3.99Å; Y527-M620 HydrophobicContact CG-CG 3.98Å; Y527-M620 WeakPolarHBondContact O-CE 3.24Å; Y527-N623 HydrophobicContact CE2-CB 4.13Å; Y527-N623 PolarHBondContact OH-ND2 2.59Å; Y527-N623 VanDerWaalsContact OH-ND2 3.11Å; Y527-M624 HydrophobicContact CD2-CE 3.99Å; Y527-M624 HydrophobicContact CD2-CG 3.74Å; Y527-M624 HydrophobicContact CD2-SD 4.01Å; Y527-M624 HydrophobicContact CE2-CG 4.25Å
528G88.4Confident84Confident4 Ų438.9 Ų38.94%0.04119%0.188CC..Hα-helixtrans-58.1-48171.200000112.2V524 T525 V526 W530 L531 E532V524-G528 PolarHBondContact O-N 3.22Å; T525-G528 PolarHBondContact O-N 2.98Å; V526-G528 VanDerWaalsContact C-N 3.32Å; V526-G528 PolarHBondContact O-N 3.29Å; G528-W530 VanDerWaalsContact C-N 3.32Å; G528-W530 PolarHBondContact O-N 3.42Å; G528-L531 WeakPolarHBondContact O-CB 3.38Å; G528-L531 PolarHBondContact O-N 3.08Å; G528-E532 WeakPolarHBondContact O-CG 3.22Å; G528-E532 PolarHBondContact O-N 3.1Å
529S86.8Confident84Confident4 Ų436.8 Ų36.83%0.02818%0.18CC..Hα-helixtrans-61.7-33.8-178.670.60000114.1T330 T525 V526 N533T330-S529 PolarHBondContact N-OG 3.17Å; T330-S529 VanDerWaalsContact OG1-C 3.26Å; T330-S529 WeakPolarHBondContact OG1-CB 3.39Å; T330-S529 PolarHBondContact OG1-O 2.99Å; T330-S529 PolarHBondContact OG1-OG 3.22Å; T525-S529 WeakPolarHBondContact O-CB 3.35Å; T525-S529 PolarHBondContact O-N 3.38Å; V526-S529 PolarHBondContact O-N 3.47Å; V526-S529 VanDerWaalsContact O-N 3.11Å; V526-S529 PolarHBondContact O-OG 3.21Å; S529-N533 WeakPolarHBondContact O-CB 3.39Å; S529-N533 PolarHBondContact O-N 2.87Å
530W87.8Confident84.1Confident0 Ų036.6 Ų36.60%018%0.179CC..Hα-helixtrans-69.5-34174.3-55.7-10.3000112.7V328 L506 V526 Y527 G528 R537 P538 M541 T616 M620V328-W530 HydrophobicContact CG1-CZ2 3.37Å; V328-W530 PolarHBondContact O-NE1 2.96Å; L506-W530 HydrophobicContact CD1-CH2 3.79Å; L506-W530 HydrophobicContact CD1-CZ2 3.91Å; V526-W530 HydrophobicContact CG1-CZ2 3.62Å; V526-W530 VanDerWaalsContact O-CD1 3.31Å; V526-W530 PolarHBondContact O-N 3.18Å; V526-W530 VanDerWaalsContact O-N 3.16Å; Y527-W530 HydrophobicContact CD1-CD2 4.48Å; Y527-W530 AromaticContact CD1-CE3 3.99Å; Y527-W530 HydrophobicContact CD1-CE3 3.99Å; Y527-W530 AromaticContact CD1-CH2 3.59Å; Y527-W530 HydrophobicContact CD1-CH2 3.59Å; Y527-W530 HydrophobicContact CD1-CZ2 4.11Å; Y527-W530 AromaticContact CD1-CZ3 3.53Å; Y527-W530 HydrophobicContact CD1-CZ3 3.53Å; Y527-W530 HydrophobicContact CE1-CE3 4.49Å; Y527-W530 AromaticContact CE1-CH2 3.45Å; Y527-W530 HydrophobicContact CE1-CH2 3.45Å; Y527-W530 VanDerWaalsContact CE1-CH2 3.45Å; Y527-W530 HydrophobicContact CE1-CZ2 4.27Å; Y527-W530 AromaticContact CE1-CZ3 3.59Å; Y527-W530 HydrophobicContact CE1-CZ3 3.59Å; Y527-W530 PolarHBondContact O-N 3.07Å; G528-W530 VanDerWaalsContact C-N 3.32Å; G528-W530 PolarHBondContact O-N 3.42Å; W530-R537 VanDerWaalsContact O-CG 3.26Å; W530-R537 WeakPolarHBondContact O-CG 3.5Å; W530-R537 PolarHBondContact O-NE 3.46Å; W530-P538 HydrophobicContact CD2-CG 4.18Å; W530-P538 HydrophobicContact CG-CG 4.05Å; W530-M541 HydrophobicContact CB-CE 4.04Å; W530-M541 HydrophobicContact CB-SD 3.77Å; W530-M541 HydrophobicContact CD2-SD 3.99Å; W530-M541 HydrophobicContact CE3-CE 4.41Å; W530-M541 HydrophobicContact CE3-SD 3.54Å; W530-M541 VanDerWaalsContact CE3-SD 3.54Å; W530-M541 HydrophobicContact CG-SD 4.14Å; W530-M541 HydrophobicContact CZ3-SD 4.42Å; W530-T616 HydrophobicContact CE3-CG2 4.29Å; W530-T616 HydrophobicContact CZ3-CG2 3.98Å; W530-M620 HydrophobicContact CB-CE 4.37Å; W530-M620 HydrophobicContact CD2-CE 4.49Å; W530-M620 HydrophobicContact CE3-CE 3.7Å; W530-M620 HydrophobicContact CE3-CG 4.33Å; W530-M620 HydrophobicContact CE3-SD 3.62Å; W530-M620 HydrophobicContact CZ3-CE 4.31Å; W530-M620 HydrophobicContact CZ3-CG 4.04Å; W530-M620 HydrophobicContact CZ3-SD 3.9Å
531L82.4Confident84Confident2 Ų236.5 Ų36.51%0.0118%0.178CC..Hα-helixtrans-70.6-47.8176.3-86157.9000110.7Y527 G528 R537 I617 M620 I667 F670 A671Y527-L531 PolarHBondContact O-N 2.82Å; G528-L531 WeakPolarHBondContact O-CB 3.38Å; G528-L531 PolarHBondContact O-N 3.08Å; L531-R537 PolarHBondContact O-NH2 3.1Å; L531-I617 HydrophobicContact CD2-CD1 3.94Å; L531-I617 HydrophobicContact CD2-CG1 4.01Å; L531-M620 HydrophobicContact CD1-CE 3.86Å; L531-M620 HydrophobicContact CG-CE 4.02Å; L531-I667 HydrophobicContact CD1-CG2 3.47Å; L531-I667 VanDerWaalsContact CD1-CG2 3.47Å; L531-F670 HydrophobicContact CB-CD1 4.07Å; L531-F670 HydrophobicContact CB-CE1 4.28Å; L531-F670 WeakPolarHBondContact O-CE1 3.35Å; L531-A671 HydrophobicContact CD1-CB 4.24Å; L531-A671 HydrophobicContact CD2-CB 4.01Å
532E79.8Confident83.4Confident103 Ų10337 Ų3748%0.48118%0.182SC..Hα-helixtrans-69.7-55-175.6-68.9179.1170.500113.5G528 K534 F670G528-E532 WeakPolarHBondContact O-CG 3.22Å; G528-E532 PolarHBondContact O-N 3.1Å; E532-K534 VanDerWaalsContact C-N 3.33Å; E532-K534 PolarHBondContact O-N 2.84Å; E532-F670 HydrophobicContact CB-CE1 4.4Å; E532-F670 HydrophobicContact CB-CZ 4.21Å; E532-F670 HydrophobicContact CG-CD1 4.08Å; E532-F670 HydrophobicContact CG-CD2 4.05Å; E532-F670 HydrophobicContact CG-CE1 3.95Å; E532-F670 HydrophobicContact CG-CE2 3.9Å; E532-F670 HydrophobicContact CG-CG 4.15Å; E532-F670 HydrophobicContact CG-CZ 3.87Å
533N79.5Confident82.2Confident55 Ų5538.6 Ų38.629%0.29420%0.2SC..  trans-83.471.2-171.1-81.2-8.8000112.7T330 S529 H535 N536 R537T330-N533 PolarHBondContact O-ND2 2.84Å; S529-N533 WeakPolarHBondContact O-CB 3.39Å; S529-N533 PolarHBondContact O-N 2.87Å; N533-H535 PolarHBondContact O-N 3.47Å; N533-N536 HydrophobicContact CB-CB 4.43Å; N533-N536 CarbonylContact O-C 3.47Å; N533-N536 PolarHBondContact O-N 2.87Å; N533-R537 PolarHBondContact O-N 2.83Å
534K73.7Confident80.6Confident103 Ų10341.8 Ų41.845%0.44822%0.223SC..G310 helixtrans-44.4-42-178.3-62.7-164.8-179.4-1680115.1E532 E676E532-K534 VanDerWaalsContact C-N 3.33Å; E532-K534 PolarHBondContact O-N 2.84Å; K534-E676 WeakPolarHBondContact CD-OE1 3.45Å; K534-E676 WeakPolarHBondContact CE-OE1 3.4Å; K534-E676 IonicContact NZ-OE1 3.69Å; K534-E676 PolarHBondContact NZ-OE1 3.43Å
535H71.9Confident77.9Confident180 Ų18047.8 Ų47.883%0.83326%0.255SS*.G310 helixtrans-74.1-30.4-178.4-63.1-68.9000113.5N533N533-H535 PolarHBondContact O-N 3.47Å
536N73.7Confident75.3Confident107 Ų10748.2 Ų48.257%0.57226%0.26SS*.G310 helixtrans-107.226.8-175.9-64.213.6000111.4T330 N533T330-N536 WeakPolarHBondContact CB-O 3.25Å; T330-N536 VanDerWaalsContact CG2-O 3.23Å; T330-N536 WeakPolarHBondContact CG2-O 3.35Å; N533-N536 HydrophobicContact CB-CB 4.43Å; N533-N536 CarbonylContact O-C 3.47Å; N533-N536 PolarHBondContact O-N 2.87Å
537R81.8Confident72.7Confident17 Ų1753.9 Ų53.96%0.06430%0.296CS..  trans-65.1142.2176.4-79-173.6176.5158.13.9111.1W530 L531 N533 M541 Q542 E676W530-R537 VanDerWaalsContact O-CG 3.26Å; W530-R537 WeakPolarHBondContact O-CG 3.5Å; W530-R537 PolarHBondContact O-NE 3.46Å; L531-R537 PolarHBondContact O-NH2 3.1Å; N533-R537 PolarHBondContact O-N 2.83Å; R537-M541 HydrophobicContact CB-CB 4.2Å; R537-Q542 HydrophobicContact CB-CG 4.39Å; R537-Q542 PolarHBondContact O-NE2 3.39Å; R537-E676 IonicContact CZ-OE2 3.77Å; R537-E676 IonicContact NH1-OE2 3.7Å; R537-E676 PolarHBondContact NH1-OE2 2.88Å; R537-E676 IonicContact NH2-OE2 2.61Å; R537-E676 PolarHBondContact NH2-OE2 3.18Å
538P84.7Confident69.9Low6 Ų660.4 Ų60.44%0.03934%0.336CS..  trans-51.8144.1169.8-24.534.5000110.9T330 Y493 W530 F540 M541T330-P538 HydrophobicContact CG2-CG 4.36Å; Y493-P538 HydrophobicContact CE2-CB 4.31Å; W530-P538 HydrophobicContact CD2-CG 4.18Å; W530-P538 HydrophobicContact CG-CG 4.05Å; P538-F540 HydrophobicContact CB-CD1 3.98Å; P538-F540 HydrophobicContact CB-CE1 3.39Å; P538-F540 HydrophobicContact CB-CE2 4.39Å; P538-F540 HydrophobicContact CB-CZ 3.62Å; P538-F540 HydrophobicContact CG-CE1 4.4Å; P538-F540 HydrophobicContact CG-CZ 4.22Å; P538-F540 PolarHBondContact O-N 3.06Å; P538-M541 PolarHBondContact O-N 3.31Å
539I79.1Confident67Low46 Ų4669 Ų6924%0.23637%0.372CS..G310 helixtrans-52.6-34.6-168-167.4170000114Y493 M541 Q542 K610Y493-I539 HydrophobicContact CG-CG2 4.39Å; I539-M541 VanDerWaalsContact C-N 3.28Å; I539-M541 PolarHBondContact O-N 3.48Å; I539-Q542 WeakPolarHBondContact O-CB 3.04Å; I539-Q542 PolarHBondContact O-N 2.94Å; I539-Q542 VanDerWaalsContact O-N 3.15Å; I539-K610 HydrophobicContact CG1-CG 4.26Å
540F83.6Confident64Low1 Ų174 Ų740%0.00441%0.408CS..G310 helixtrans-73.9-13179.159.3-90.9000115.4I283 Y493 I499 Q503 P538 L609 C612 T616I283-F540 HydrophobicContact CD1-CD2 3.62Å; I283-F540 HydrophobicContact CD1-CE2 4.14Å; I283-F540 HydrophobicContact CD1-CG 4.2Å; Y493-F540 HydrophobicContact CD1-CD1 4.34Å; Y493-F540 AromaticContact CD1-CE1 3.91Å; Y493-F540 HydrophobicContact CD1-CE1 3.91Å; Y493-F540 AromaticContact CE1-CE1 3.8Å; Y493-F540 HydrophobicContact CE1-CE1 3.8Å; I499-F540 HydrophobicContact CB-CD1 4.35Å; I499-F540 HydrophobicContact CD1-CB 4.29Å; I499-F540 HydrophobicContact CD1-CD1 3.98Å; I499-F540 HydrophobicContact CD1-CG 4.48Å; I499-F540 HydrophobicContact CG1-CD1 3.95Å; I499-F540 HydrophobicContact CG1-CE1 4.43Å; I499-F540 HydrophobicContact CG2-CB 4.17Å; I499-F540 HydrophobicContact CG2-CD1 3.47Å; I499-F540 VanDerWaalsContact CG2-CD1 3.47Å; I499-F540 HydrophobicContact CG2-CD2 4.09Å; I499-F540 HydrophobicContact CG2-CE1 3.83Å; I499-F540 HydrophobicContact CG2-CE2 4.39Å; I499-F540 HydrophobicContact CG2-CG 3.63Å; I499-F540 HydrophobicContact CG2-CZ 4.29Å; Q503-F540 VanDerWaalsContact NE2-CE2 3.29Å; Q503-F540 VanDerWaalsContact NE2-CZ 3.33Å; P538-F540 HydrophobicContact CB-CD1 3.98Å; P538-F540 HydrophobicContact CB-CE1 3.39Å; P538-F540 HydrophobicContact CB-CE2 4.39Å; P538-F540 HydrophobicContact CB-CZ 3.62Å; P538-F540 HydrophobicContact CG-CE1 4.4Å; P538-F540 HydrophobicContact CG-CZ 4.22Å; P538-F540 PolarHBondContact O-N 3.06Å; F540-L609 WeakPolarHBondContact CA-O 3.19Å; F540-L609 VanDerWaalsContact CB-O 3.25Å; F540-L609 WeakPolarHBondContact CB-O 3.22Å; F540-C612 CarbonylContact O-C 3.43Å; F540-C612 WeakPolarHBondContact O-CA 3.41Å; F540-C612 WeakPolarHBondContact O-CB 3.21Å; F540-C612 PolarHBondContact O-N 2.73Å; F540-T616 HydrophobicContact CD2-CG2 4.46Å; F540-T616 HydrophobicContact CE2-CG2 3.84Å
541M84.6Confident61.2Low1 Ų181.7 Ų81.71%0.00545%0.447CS..G310 helixtrans-97.51.7171-65.2-178.174.900112.8W530 R537 P538 I539 L613 T616 I617 M620W530-M541 HydrophobicContact CB-CE 4.04Å; W530-M541 HydrophobicContact CB-SD 3.77Å; W530-M541 HydrophobicContact CD2-SD 3.99Å; W530-M541 HydrophobicContact CE3-CE 4.41Å; W530-M541 HydrophobicContact CE3-SD 3.54Å; W530-M541 VanDerWaalsContact CE3-SD 3.54Å; W530-M541 HydrophobicContact CG-SD 4.14Å; W530-M541 HydrophobicContact CZ3-SD 4.42Å; R537-M541 HydrophobicContact CB-CB 4.2Å; P538-M541 PolarHBondContact O-N 3.31Å; I539-M541 VanDerWaalsContact C-N 3.28Å; I539-M541 PolarHBondContact O-N 3.48Å; M541-L613 HydrophobicContact CB-CD1 4.03Å; M541-L613 HydrophobicContact CE-CD1 3.77Å; M541-T616 HydrophobicContact CE-CG2 4.32Å; M541-T616 HydrophobicContact CG-CG2 4.05Å; M541-T616 HydrophobicContact SD-CG2 3.85Å; M541-I617 HydrophobicContact CE-CG1 4.25Å; M541-M620 HydrophobicContact CE-SD 4Å
542Q77.1Confident58.3Low68 Ų6887.5 Ų87.532%0.31848%0.483SS..SBendtrans-84.2150174.1-58.9178.76.400110.6R537 I539 K610 G611R537-Q542 HydrophobicContact CB-CG 4.39Å; R537-Q542 PolarHBondContact O-NE2 3.39Å; I539-Q542 WeakPolarHBondContact O-CB 3.04Å; I539-Q542 PolarHBondContact O-N 2.94Å; I539-Q542 VanDerWaalsContact O-N 3.15Å; Q542-K610 HydrophobicContact CB-CG 4.45Å; Q542-G611 PolarHBondContact O-N 2.87Å
543A64.5Low56.3Low65 Ų6588.6 Ų88.654%0.53750%0.498SS..PPolyproline II helixtrans-71.515017500000111.4K610A543-K610 WeakPolarHBondContact O-CD 3.12Å; A543-K610 PolarHBondContact O-NZ 2.93Å
544S55.2Low53.6Low67 Ų6791.7 Ų91.747%0.46953%0.525SS..PPolyproline II helixtrans-76.6116.8166.950.60000109.5S546S544-S546 PolarHBondContact O-N 3.27Å
545D34.5Very low51.2Low127 Ų12791.2 Ų91.268%0.67954%0.54SS*.  trans-85.144-168.8-61.7-67.1000113K610D545-K610 IonicContact OD2-NZ 3.69Å; D545-K610 PolarHBondContact OD2-NZ 3.39Å
546S34.2Very low48.9Very low56 Ų5692.6 Ų92.639%0.39254%0.544SS..  trans-133.4102.3-179.5480000111.7S544 V548 E607S544-S546 PolarHBondContact O-N 3.27Å; S546-V548 PolarHBondContact O-N 3.49Å; S546-V548 VanDerWaalsContact O-N 3.08Å; S546-E607 PolarHBondContact OG-OE1 2.97Å
547P33.4Very low46.4Very low119 Ų11993.1 Ų93.177%0.77356%0.555SS**  trans-71.8105.5173.328.4-32.3000109.4K549P547-K549 PolarHBondContact O-N 2.97Å
548V30.4Very low43.7Very low137 Ų137101 Ų10183%0.8359%0.593SS**  trans-57.3103.1179.6-179.90000109.9S546 S550S546-V548 PolarHBondContact O-N 3.49Å; S546-V548 VanDerWaalsContact O-N 3.08Å; V548-S550 PolarHBondContact O-N 3.24Å; V548-S550 VanDerWaalsContact O-N 3.14Å
549K27.9Very low40.7Very low185 Ų185107.2 Ų107.280%0.80463%0.631SS**  trans-68.9110.5177.8-71.7-179.8179.6174.10109.2P547 I551P547-K549 PolarHBondContact O-N 2.97Å; K549-I551 PolarHBondContact O-N 3.28Å; K549-I551 VanDerWaalsContact O-N 3.11Å
550S25Very low38.1Very low110 Ų110111.9 Ų111.977%0.76966%0.656SS**  trans-60111.2174.238.80000110.6V548 T552V548-S550 PolarHBondContact O-N 3.24Å; V548-S550 VanDerWaalsContact O-N 3.14Å; S550-T552 PolarHBondContact O-N 3.44Å
551I27.3Very low35.1Very low160 Ų160116.9 Ų116.982%0.82170%0.698SS**  trans-74.198.5-176.5-57.1174.7000109.2K549K549-I551 PolarHBondContact O-N 3.28Å; K549-I551 VanDerWaalsContact O-N 3.11Å
552T23.4Very low32.2Very low125 Ų125121.7 Ų121.777%0.76773%0.731SS**  trans-92.7116.9160.529.10000108.7S550 S554S550-T552 PolarHBondContact O-N 3.44Å; T552-S554 PolarHBondContact O-N 2.67Å
553P36.2Very low29.5Very low125 Ų125123.3 Ų123.381%0.81275%0.75SS**  trans-76.4118.6-170.829.2-34.1000111.5
554S22.7Very low27.6Very low121 Ų121128 Ų12885%0.84676%0.764SS**  trans-123152.1166.955.10000110.2T552T552-S554 PolarHBondContact O-N 2.67Å
555A23.4Very low26Very low93 Ų93132.7 Ų132.777%0.76978%0.779SS**  trans-88.8137.8-153.200000115.2
556K24Very low25.5Very low209 Ų209133.2 Ų133.291%0.90978%0.777SS**  trans24.2101.5142.7-61.2179.3-180179.60116.8
557S22.2Very low24.9Very low117 Ų117136.4 Ų136.482%0.81880%0.8SS**  trans-124.8116.115053.90000109.6
558Q23.5Very low24.4Very low182 Ų182138.3 Ų138.385%0.8580%0.798SS**  trans-85.2123.6173.7-64.7168.8-8000109
559V23.3Very low23.9Very low138 Ų138140.1 Ų140.184%0.83680%0.8SS**  trans-134.6133.5156.3-176.30000107.1
560N22.6Very low23.7Very low143 Ų143138.9 Ų138.977%0.76580%0.801SS**  trans-81.1147.9-166-60.6-39.3000112.7
561A21.9Very low23.5Very low107 Ų107142.5 Ų142.588%0.88480%0.803SS**  trans-83.3137.1163.700000110.7
562S22.4Very low23.2Very low102 Ų102144.2 Ų144.271%0.71381%0.81SS**  trans-160.3137.7170.355.40000110.2
563S21.8Very low23.2Very low102 Ų102145.2 Ų145.271%0.71381%0.81SS**  trans49.6107.7170.851.70000116
564I23.9Very low22.6Very low162 Ų162142.7 Ų142.783%0.83181%0.807SS**  cis4710836.9-50.9176.7000112.2
565E21.7Very low22.6Very low167 Ų167148.6 Ų148.678%0.7881%0.811SS**  trans-160.3145.9138.5-115177.9-150.100113.5
566H23.6Very low22.6Very low138 Ų138153.2 Ų153.264%0.63982%0.819SS**  trans4893.2159.9-66.1-64.9000122.4
567S23.1Very low22.6Very low123 Ų123150.6 Ų150.686%0.8682%0.815SS**  -133.1121.8127.859.30000110.1
568Q22.8Very low22.7Very low159 Ų159152.9 Ų152.974%0.74382%0.818SS**  trans-131.7105.3-176-74.1-173.8-3.400111.3
569M20Very low22.8Very low175 Ų175152.2 Ų152.286%0.86282%0.819SS**  trans173135.5156.7-102.9162.459.200107.5
570L22.1Very low22.9Very low158 Ų158155.4 Ų155.483%0.82782%0.822SS**  cis-128.91451.9-78.6139.4000110.1
571K22.4Very low23Very low186 Ų186157.6 Ų157.681%0.80983%0.828SS**  trans-91.1125166.6-74179.4177.1174.50109.7
572M20.9Very low23.1Very low197 Ų197160.3 Ų160.397%0.9783%0.825SS**  trans-113.480.7163.4-154.2171-167.400109.4
573N23.3Very low23.2Very low145 Ų145164 Ų16478%0.77583%0.832SS**  trans-87.3128.5177.3-76.64.9000110.2
574G23.3Very low23.3Very low73 Ų73168.6 Ų168.675%0.75384%0.842SS**  trans-174.674.8178.500000116.8
575R22.6Very low23.3Very low244 Ų244166.4 Ų166.492%0.92184%0.841SS**  trans50.399.4161.3-67.2-179.3171.2174.7-4.5118.3
576M23.2Very low23.5Very low190 Ų190166.2 Ų166.294%0.93684%0.84SS**  trans-145.647.1148-164.8113.8137.200111.1
577N24Very low23.6Very low155 Ų155167.3 Ų167.383%0.82985%0.849SS**  trans-118.983.7179.3-83.1-8000110.1
578D24.6Very low23.6Very low164 Ų164169 Ų16988%0.87784%0.843SS**  trans-144.920.3174.4-88.6-50.7000113.7
579L24.4Very low23.7Very low169 Ų169168.1 Ų168.189%0.88584%0.843SS**SBendtrans-127.832.6178.8-98.9167.7000114
580K26.1Very low23.9Very low205 Ų205169.7 Ų169.789%0.89185%0.846SS**  trans-117.728.7171.2-85.5-163.6170.8-170.50114
581Q24.1Very low24.3Very low189 Ų189167.5 Ų167.588%0.88384%0.841SS**  trans-123.841.9175.2-74.3-162-17.300114.5
582I25Very low24.3Very low163 Ų163165.5 Ų165.584%0.83684%0.838SS**SBendtrans-13345.3155.3-41.2179.6000110.2
583Q23.9Very low24.6Very low181 Ų181164.1 Ų164.185%0.84683%0.834SS**SBendtrans-150.269.2169.3-78.8-165.4-29.100110.7
584Q23.9Very low24.6Very low198 Ų198164.6 Ų164.693%0.92583%0.832SS**  trans-176.388.5158.2-108.316615.500112.8
585S24.3Very low24.7Very low115 Ų115166.7 Ų166.780%0.80483%0.83SS**SBendtrans-168.3144.715257.50000109.7
586Q25.4Very low24.9Very low164 Ų164164.5 Ų164.577%0.76683%0.827SS**  trans68.570.2-174.8-54.1-149.4-80.900115.2
587I25.3Very low25.2Very low160 Ų160161 Ų16182%0.82182%0.822SS**  trans-90.1123.4139.4-63.9167.5000105.2
588E24.8Very low25.3Very low158 Ų158162.5 Ų162.574%0.73882%0.821SS**  trans-133.396.6167.2-76.7-172.8175.400109.6
589D23.8Very low25.5Very low141 Ų141162.4 Ų162.475%0.75482%0.82SS**  trans12.1112155.7-52.2-21.7000119.9
590F25.3Very low25.7Very low208 Ų208161.9 Ų161.991%0.91282%0.818SS**  trans-134.9151.4137.5-89.3-78.4000109.6
591P29.5Very low25.9Very low113 Ų113158.3 Ų158.373%0.73481%0.813SS**  trans-85.2145.4-141.230.1-37.1000116.5
592I23.2Very low26.4Very low143 Ų143152.7 Ų152.773%0.73381%0.806SS**  trans-27.1129.2152.6-56.2161.6000113.1E594I592-E594 HydrophobicContact CG2-CG 3.44Å; I592-E594 VanDerWaalsContact CG2-CG 3.44Å
593D26.1Very low26.8Very low169 Ų169151.6 Ų151.690%0.90480%0.801SS**  trans-129.3135.2141.3-144.5-16.6000107.2
594E23.3Very low27.5Very low154 Ų154148.5 Ų148.572%0.7279%0.79SS**  trans-95.3167.7-159.2-66.8-164.4129.500115I592I592-E594 HydrophobicContact CG2-CG 3.44Å; I592-E594 VanDerWaalsContact CG2-CG 3.44Å
595T24.8Very low28.7Very low117 Ų117142.5 Ų142.572%0.71876%0.764SS**  trans79.382.1161.574.60000118.7
596K28Very low29.8Very low198 Ų198139.8 Ų139.886%0.86174%0.744SS**  -166.314498.1-95.2143.9-166.8163.10113K598K596-K598 PolarHBondContact O-N 3.3Å
597S29.1Very low31.2Very low117 Ų117136.7 Ų136.782%0.81873%0.729SS**  trans-39119.2-178.748.70000115.7
598K26.3Very low33.1Very low187 Ų187133.4 Ų133.481%0.81371%0.71SS**  trans-68.4150.3144-73.6179.7173.5178.10109.2K596K596-K598 PolarHBondContact O-N 3.3Å
599D28.8Very low35.2Very low161 Ų161126.2 Ų126.286%0.86168%0.677SS**  trans160.671.7133.8-81.1-5.1000111.1
600D29.3Very low37.5Very low158 Ų158121.5 Ų121.585%0.84565%0.65SS**  -161.5139.3122.8-144.7-22.6000109.7
601V30.1Very low39.7Very low130 Ų130113.8 Ų113.879%0.78863%0.629SS**  trans-123.483.4-179.9-177.90000108.4
602G33.7Very low42.1Very low71 Ų71108.9 Ų108.973%0.73260%0.597SS**  trans-63.6134.8-177.300000113
603I34Very low44.9Very low141 Ų141103.2 Ų103.272%0.72357%0.568SS**  trans-101.4106-176.3-62.7171.2000109.9D605I603-D605 PolarHBondContact O-N 3.19Å
604N39.4Very low47.7Very low115 Ų11596.6 Ų96.662%0.61553%0.532SS*.  trans14.970.6164.4-584.1000117.2
605D47.4Very low50.6Low73 Ų7391.1 Ų91.139%0.3951%0.508SS..  trans-74.5154.4178.8-100.4-34000113.3R384 I603 E607 E608R384-D605 IonicContact CZ-OD1 2.65Å; R384-D605 IonicContact NE-OD1 3.27Å; R384-D605 PolarHBondContact NE-OD1 2.98Å; R384-D605 VanDerWaalsContact NH2-CG 3.34Å; R384-D605 IonicContact NH2-OD1 2.93Å; R384-D605 PolarHBondContact NH2-OD1 2.81Å; R384-D605 IonicContact NH2-OD2 3.19Å; R384-D605 PolarHBondContact NH2-OD2 3.17Å; I603-D605 PolarHBondContact O-N 3.19Å; D605-E607 PolarHBondContact O-N 2.75Å; D605-E607 VanDerWaalsContact O-N 3.11Å; D605-E608 WeakPolarHBondContact O-CB 3.46Å; D605-E608 PolarHBondContact O-N 3.37Å; D605-E608 VanDerWaalsContact O-N 3.15Å
606P48.6Very low53.4Low58 Ų5885.6 Ų85.638%0.37747%0.473SS..G310 helixtrans-66-15.2-173.326.6-34.4000114.4E608 L609P606-E608 PolarHBondContact O-N 2.95Å; P606-L609 PolarHBondContact O-N 3.12Å
607E54.7Low56.1Low99 Ų9976.2 Ų76.246%0.46343%0.433SS..G310 helixtrans-59-28.9172.3-67.1-156.7121.900112.7S546 D605 L609 K610S546-E607 PolarHBondContact OG-OE1 2.97Å; D605-E607 PolarHBondContact O-N 2.75Å; D605-E607 VanDerWaalsContact O-N 3.11Å; E607-L609 PolarHBondContact O-N 2.85Å; E607-K610 PolarHBondContact O-N 2.89Å
608E65.2Low58.9Low90 Ų9071.8 Ų71.842%0.42140%0.399SS..G310 helixtrans-58-21.7178.6-82.9-134.9101.600114.7R496 D605 P606R496-E608 VanDerWaalsContact CZ-O 3.24Å; R496-E608 IonicContact CZ-OE1 3.66Å; R496-E608 PolarHBondContact NE-O 2.88Å; R496-E608 IonicContact NH1-OE1 3.87Å; R496-E608 PolarHBondContact NH1-OE1 3.31Å; R496-E608 PolarHBondContact NH2-O 3.37Å; R496-E608 IonicContact NH2-OE1 2.89Å; R496-E608 PolarHBondContact NH2-OE1 3.43Å; D605-E608 WeakPolarHBondContact O-CB 3.46Å; D605-E608 PolarHBondContact O-N 3.37Å; D605-E608 VanDerWaalsContact O-N 3.15Å; P606-E608 PolarHBondContact O-N 2.95Å
609L68.4Low61.6Low7 Ų764 Ų644%0.03737%0.366CS..G310 helixtrans-92.1-16.3179-56.3-169.9000113.3Y284 R387 Y493 R496 I499 F540 P606 E607Y284-L609 PolarHBondContact OH-O 3.01Å; R387-L609 VanDerWaalsContact NH2-CD1 3.28Å; Y493-L609 WeakPolarHBondContact O-CD1 3.3Å; R496-L609 HydrophobicContact CG-CD2 3.64Å; I499-L609 HydrophobicContact CD1-CB 4.49Å; I499-L609 HydrophobicContact CD1-CD1 4.36Å; I499-L609 HydrophobicContact CD1-CD2 4.47Å; F540-L609 WeakPolarHBondContact CA-O 3.19Å; F540-L609 VanDerWaalsContact CB-O 3.25Å; F540-L609 WeakPolarHBondContact CB-O 3.22Å; P606-L609 PolarHBondContact O-N 3.12Å; E607-L609 PolarHBondContact O-N 2.85Å
610K73.3Confident64.4Low43 Ų4356.4 Ų56.419%0.18733%0.325CS..  trans-79.7174.1-178.5-73.8-178.3151.4-150.50111.7I539 Q542 A543 D545 E607I539-K610 HydrophobicContact CG1-CG 4.26Å; Q542-K610 HydrophobicContact CB-CG 4.45Å; A543-K610 WeakPolarHBondContact O-CD 3.12Å; A543-K610 PolarHBondContact O-NZ 2.93Å; D545-K610 IonicContact OD2-NZ 3.69Å; D545-K610 PolarHBondContact OD2-NZ 3.39Å; E607-K610 PolarHBondContact O-N 2.89Å
611G70.2Confident67.2Low45 Ų4548.9 Ų48.946%0.46429%0.285SS..  trans92.6-10.7165.800000117.3Q542 L613Q542-G611 PolarHBondContact O-N 2.87Å; G611-L613 PolarHBondContact O-N 3.22Å; G611-L613 VanDerWaalsContact O-N 3.15Å
612C79.6Confident69.9Low10 Ų1045.6 Ų45.67%0.06826%0.261CS..THydrogen-bonded Turntrans-8016.3-179.6-78.80000115.4I283 Y284 F540 Q614 N615 T616I283-C612 HydrophobicContact CD1-CB 3.94Å; I283-C612 HydrophobicContact CG1-CB 4.21Å; Y284-C612 WeakPolarHBondContact CD1-SG 3.4Å; Y284-C612 WeakPolarHBondContact CE1-SG 3.44Å; F540-C612 CarbonylContact O-C 3.43Å; F540-C612 WeakPolarHBondContact O-CA 3.41Å; F540-C612 WeakPolarHBondContact O-CB 3.21Å; F540-C612 PolarHBondContact O-N 2.73Å; C612-Q614 VanDerWaalsContact C-N 3.35Å; C612-Q614 PolarHBondContact O-N 2.77Å; C612-N615 PolarHBondContact O-N 3.46Å; C612-T616 WeakPolarHBondContact O-CB 3.4Å; C612-T616 PolarHBondContact O-N 3.15Å; C612-T616 PolarHBondContact O-OG1 2.88Å
613L82.6Confident72.3Confident25 Ų2542.6 Ų42.613%0.13123%0.229CC..Hα-helixtrans-50.8-49.1-178176.959.8000112.9M541 G611 I617M541-L613 HydrophobicContact CB-CD1 4.03Å; M541-L613 HydrophobicContact CE-CD1 3.77Å; G611-L613 PolarHBondContact O-N 3.22Å; G611-L613 VanDerWaalsContact O-N 3.15Å; L613-I617 HydrophobicContact CD1-CD1 3.72Å; L613-I617 HydrophobicContact CD1-CG1 4.32Å; L613-I617 HydrophobicContact CG-CD1 4.09Å; L613-I617 VanDerWaalsContact O-CG1 3.29Å; L613-I617 WeakPolarHBondContact O-CG1 3.36Å; L613-I617 PolarHBondContact O-N 3.33Å
614Q85.5Confident75.1Confident30 Ų3035.9 Ų35.914%0.1419%0.194CC..Hα-helixtrans-66.1-53.4-177.4-60.3-54.9-44.400112C612 T616 I617 Q618 E676 T678 T681C612-Q614 VanDerWaalsContact C-N 3.35Å; C612-Q614 PolarHBondContact O-N 2.77Å; Q614-T616 VanDerWaalsContact C-N 3.25Å; Q614-T616 PolarHBondContact O-N 3.02Å; Q614-I617 PolarHBondContact O-N 2.97Å; Q614-I617 VanDerWaalsContact O-N 3.08Å; Q614-Q618 WeakPolarHBondContact O-CG 3.34Å; Q614-Q618 PolarHBondContact O-N 3.04Å; Q614-E676 PolarHBondContact NE2-O 3.29Å; Q614-T678 HydrophobicContact CG-CG2 3.71Å; Q614-T678 PolarHBondContact OE1-OG1 2.97Å; Q614-T681 PolarHBondContact OE1-OG1 2.81Å
615N83Confident77.4Confident39 Ų3930.6 Ų30.621%0.20917%0.166CC..Hα-helixtrans-58.4-40.6-180-57.621.1000111I283 C612 Q618 I619I283-N615 VanDerWaalsContact O-CB 3.24Å; I283-N615 WeakPolarHBondContact O-CB 3.4Å; I283-N615 PolarHBondContact O-ND2 2.8Å; C612-N615 PolarHBondContact O-N 3.46Å; N615-Q618 PolarHBondContact O-N 3.46Å; N615-I619 WeakPolarHBondContact O-CB 3.32Å; N615-I619 VanDerWaalsContact O-CG1 3.27Å; N615-I619 WeakPolarHBondContact O-CG1 3.46Å; N615-I619 PolarHBondContact O-N 3.16Å
616T84.5Confident79.2Confident0 Ų029.3 Ų29.30%016%0.159CC..Hα-helixtrans-62.3-48.1175.8-46.40000110.6W530 F540 M541 C612 Q614 Q618 I619 M620W530-T616 HydrophobicContact CE3-CG2 4.29Å; W530-T616 HydrophobicContact CZ3-CG2 3.98Å; F540-T616 HydrophobicContact CD2-CG2 4.46Å; F540-T616 HydrophobicContact CE2-CG2 3.84Å; M541-T616 HydrophobicContact CE-CG2 4.32Å; M541-T616 HydrophobicContact CG-CG2 4.05Å; M541-T616 HydrophobicContact SD-CG2 3.85Å; C612-T616 WeakPolarHBondContact O-CB 3.4Å; C612-T616 PolarHBondContact O-N 3.15Å; C612-T616 PolarHBondContact O-OG1 2.88Å; Q614-T616 VanDerWaalsContact C-N 3.25Å; Q614-T616 PolarHBondContact O-N 3.02Å; T616-Q618 PolarHBondContact O-N 2.68Å; T616-I619 PolarHBondContact O-N 3.01Å; T616-M620 HydrophobicContact CG2-CG 4.19Å; T616-M620 HydrophobicContact CG2-SD 3.72Å; T616-M620 WeakPolarHBondContact O-CB 3.26Å; T616-M620 WeakPolarHBondContact O-CG 3.31Å; T616-M620 PolarHBondContact O-N 3.4Å
617I84.8Confident81.1Confident1 Ų126.7 Ų26.71%0.00514%0.142CC..Hα-helixtrans-59.9-46177.4-69.1169.3000111.1L531 M541 L613 Q614 I619 M620 L621 L677 T681L531-I617 HydrophobicContact CD2-CD1 3.94Å; L531-I617 HydrophobicContact CD2-CG1 4.01Å; M541-I617 HydrophobicContact CE-CG1 4.25Å; L613-I617 HydrophobicContact CD1-CD1 3.72Å; L613-I617 HydrophobicContact CD1-CG1 4.32Å; L613-I617 HydrophobicContact CG-CD1 4.09Å; L613-I617 VanDerWaalsContact O-CG1 3.29Å; L613-I617 WeakPolarHBondContact O-CG1 3.36Å; L613-I617 PolarHBondContact O-N 3.33Å; Q614-I617 PolarHBondContact O-N 2.97Å; Q614-I617 VanDerWaalsContact O-N 3.08Å; I617-I619 VanDerWaalsContact C-N 3.32Å; I617-I619 PolarHBondContact O-N 3.25Å; I617-M620 PolarHBondContact O-N 3.4Å; I617-L621 HydrophobicContact CG2-CD1 3.81Å; I617-L621 HydrophobicContact CG2-CG 4.2Å; I617-L621 WeakPolarHBondContact O-CB 3.37Å; I617-L621 WeakPolarHBondContact O-CG 3.41Å; I617-L621 PolarHBondContact O-N 3.24Å; I617-L677 HydrophobicContact CD1-CD2 3.94Å; I617-L677 HydrophobicContact CG2-CD2 4.07Å; I617-T681 HydrophobicContact CB-CG2 4.32Å; I617-T681 HydrophobicContact CG2-CG2 3.77Å
618Q86.7Confident82.6Confident24 Ų2422.2 Ų22.211%0.11212%0.121CC..Hα-helixtrans-57-44.6177.6-70179.925.700112.2Q614 N615 T616 E622 T681 K684Q614-Q618 WeakPolarHBondContact O-CG 3.34Å; Q614-Q618 PolarHBondContact O-N 3.04Å; N615-Q618 PolarHBondContact O-N 3.46Å; T616-Q618 PolarHBondContact O-N 2.68Å; Q618-E622 PolarHBondContact O-N 3.34Å; Q618-E622 VanDerWaalsContact O-N 3.13Å; Q618-T681 HydrophobicContact CG-CG2 3.87Å; Q618-T681 PolarHBondContact NE2-OG1 2.66Å; Q618-K684 HydrophobicContact CB-CG 4.04Å; Q618-K684 HydrophobicContact CG-CB 4.13Å; Q618-K684 HydrophobicContact CG-CG 4.01Å
619I83.9Confident83.4Confident25 Ų2520.7 Ų20.713%0.12811%0.112CC..Hα-helixtrans-67.6-44.5177.3-71.3168.8000111.3Y281 I283 N615 T616 I617 L621 E622 N623Y281-I619 VanDerWaalsContact OH-CG2 3.28Å; Y281-I619 WeakPolarHBondContact OH-CG2 3.17Å; I283-I619 HydrophobicContact CB-CD1 4.14Å; I283-I619 HydrophobicContact CG2-CD1 3.76Å; N615-I619 WeakPolarHBondContact O-CB 3.32Å; N615-I619 VanDerWaalsContact O-CG1 3.27Å; N615-I619 WeakPolarHBondContact O-CG1 3.46Å; N615-I619 PolarHBondContact O-N 3.16Å; T616-I619 PolarHBondContact O-N 3.01Å; I617-I619 VanDerWaalsContact C-N 3.32Å; I617-I619 PolarHBondContact O-N 3.25Å; I619-L621 VanDerWaalsContact C-N 3.34Å; I619-L621 PolarHBondContact O-N 2.97Å; I619-E622 PolarHBondContact O-N 3.35Å; I619-N623 WeakPolarHBondContact CG2-ND2 3.45Å; I619-N623 VanDerWaalsContact O-CB 3.32Å; I619-N623 WeakPolarHBondContact O-CB 3.37Å; I619-N623 PolarHBondContact O-N 2.82Å; I619-N623 PolarHBondContact O-ND2 3.22Å; I619-N623 PolarHBondContact O-OD1 3.41Å
620M87.8Confident83.8Confident0 Ų021.8 Ų21.80%012%0.122CC..Hα-helixtrans-58.3-44.6176.8-69.3158.17200111.7Y527 W530 L531 M541 T616 I617 M624Y527-M620 HydrophobicContact CD1-CE 4.22Å; Y527-M620 HydrophobicContact CD1-CG 3.96Å; Y527-M620 HydrophobicContact CD2-CB 3.96Å; Y527-M620 HydrophobicContact CD2-CG 4.07Å; Y527-M620 HydrophobicContact CE1-CG 4.03Å; Y527-M620 HydrophobicContact CE2-CB 4.11Å; Y527-M620 HydrophobicContact CE2-CG 4.14Å; Y527-M620 HydrophobicContact CG-CB 4.27Å; Y527-M620 HydrophobicContact CG-CE 3.99Å; Y527-M620 HydrophobicContact CG-CG 3.98Å; Y527-M620 WeakPolarHBondContact O-CE 3.24Å; W530-M620 HydrophobicContact CB-CE 4.37Å; W530-M620 HydrophobicContact CD2-CE 4.49Å; W530-M620 HydrophobicContact CE3-CE 3.7Å; W530-M620 HydrophobicContact CE3-CG 4.33Å; W530-M620 HydrophobicContact CE3-SD 3.62Å; W530-M620 HydrophobicContact CZ3-CE 4.31Å; W530-M620 HydrophobicContact CZ3-CG 4.04Å; W530-M620 HydrophobicContact CZ3-SD 3.9Å; L531-M620 HydrophobicContact CD1-CE 3.86Å; L531-M620 HydrophobicContact CG-CE 4.02Å; M541-M620 HydrophobicContact CE-SD 4Å; T616-M620 HydrophobicContact CG2-CG 4.19Å; T616-M620 HydrophobicContact CG2-SD 3.72Å; T616-M620 WeakPolarHBondContact O-CB 3.26Å; T616-M620 WeakPolarHBondContact O-CG 3.31Å; T616-M620 PolarHBondContact O-N 3.4Å; I617-M620 PolarHBondContact O-N 3.4Å; M620-M624 HydrophobicContact CB-CE 4.11Å; M620-M624 WeakPolarHBondContact O-CB 3.5Å; M620-M624 VanDerWaalsContact O-CE 3.32Å; M620-M624 WeakPolarHBondContact O-CE 3.29Å; M620-M624 VanDerWaalsContact O-CG 3.31Å; M620-M624 WeakPolarHBondContact O-CG 3.35Å; M620-M624 PolarHBondContact O-N 2.94Å
621L88.2Confident83.6Confident0 Ų022 Ų220%013%0.129CC..Hα-helixtrans-63.5-44.4178.2-67.4170.2000111.5I617 I619 A625 F668 L685 I688I617-L621 HydrophobicContact CG2-CD1 3.81Å; I617-L621 HydrophobicContact CG2-CG 4.2Å; I617-L621 WeakPolarHBondContact O-CB 3.37Å; I617-L621 WeakPolarHBondContact O-CG 3.41Å; I617-L621 PolarHBondContact O-N 3.24Å; I619-L621 VanDerWaalsContact C-N 3.34Å; I619-L621 PolarHBondContact O-N 2.97Å; L621-A625 PolarHBondContact O-N 3.5Å; L621-A625 VanDerWaalsContact O-N 3.13Å; L621-F668 HydrophobicContact CB-CE1 4.4Å; L621-F668 HydrophobicContact CB-CZ 4.43Å; L621-F668 HydrophobicContact CD2-CD1 3.34Å; L621-F668 HydrophobicContact CD2-CD2 4.46Å; L621-F668 HydrophobicContact CD2-CE1 3.38Å; L621-F668 HydrophobicContact CD2-CE2 4.49Å; L621-F668 HydrophobicContact CD2-CG 3.93Å; L621-F668 HydrophobicContact CD2-CZ 3.99Å; L621-F668 HydrophobicContact CG-CE1 4.48Å; L621-F668 WeakPolarHBondContact O-CZ 3.41Å; L621-L685 HydrophobicContact CD1-CB 3.95Å; L621-L685 HydrophobicContact CD1-CD1 3.88Å; L621-L685 HydrophobicContact CD1-CG 4.41Å; L621-L685 HydrophobicContact CD2-CD1 3.91Å; L621-L685 HydrophobicContact CG-CD1 4.48Å; L621-I688 HydrophobicContact CB-CD1 3.65Å
622E85.8Confident83.2Confident62 Ų6219.9 Ų19.929%0.2911%0.107SC..Hα-helixtrans-67.2-43.5178.9-173.5154.9-128.100111.5Q618 I619 M624 A625 K684 I688Q618-E622 PolarHBondContact O-N 3.34Å; Q618-E622 VanDerWaalsContact O-N 3.13Å; I619-E622 PolarHBondContact O-N 3.35Å; E622-M624 PolarHBondContact O-N 3.31Å; E622-A625 WeakPolarHBondContact O-CB 3.48Å; E622-A625 PolarHBondContact O-N 3.46Å; E622-K684 IonicContact OE1-NZ 2.8Å; E622-K684 PolarHBondContact OE1-NZ 3.5Å; E622-K684 VanDerWaalsContact OE2-CE 3.23Å; E622-K684 WeakPolarHBondContact OE2-CE 3.22Å; E622-K684 IonicContact OE2-NZ 2.77Å; E622-K684 PolarHBondContact OE2-NZ 2.83Å; E622-I688 HydrophobicContact CB-CD1 4.05Å
623N85.2Confident82Confident8 Ų823.8 Ų23.84%0.04313%0.127CC..Hα-helixtrans-62.6-41.5176.7-66.4-10.1000112.2H507 L510 Y527 I619 A625 N626H507-N623 PolarHBondContact CD2-OD1 3.13Å; L510-N623 HydrophobicContact CD1-CB 3.75Å; Y527-N623 HydrophobicContact CE2-CB 4.13Å; Y527-N623 PolarHBondContact OH-ND2 2.59Å; Y527-N623 VanDerWaalsContact OH-ND2 3.11Å; I619-N623 WeakPolarHBondContact CG2-ND2 3.45Å; I619-N623 VanDerWaalsContact O-CB 3.32Å; I619-N623 WeakPolarHBondContact O-CB 3.37Å; I619-N623 PolarHBondContact O-N 2.82Å; I619-N623 PolarHBondContact O-ND2 3.22Å; I619-N623 PolarHBondContact O-OD1 3.41Å; N623-A625 VanDerWaalsContact C-N 3.33Å; N623-A625 PolarHBondContact O-N 3.5Å; N623-N626 PolarHBondContact O-N 3.45Å; N623-N626 PolarHBondContact O-ND2 3.43Å
624M91.6Very high80.5Confident0 Ų026.2 Ų26.20%014%0.14CC..Hα-helixtrans-69.9-26.7177.4-75.7-172.1-82.300113.4V524 Y527 M620 E622 N626 I627 V664 I667 F668V524-M624 HydrophobicContact CG1-SD 4.11Å; V524-M624 HydrophobicContact CG2-CG 4.34Å; Y527-M624 HydrophobicContact CD2-CE 3.99Å; Y527-M624 HydrophobicContact CD2-CG 3.74Å; Y527-M624 HydrophobicContact CD2-SD 4.01Å; Y527-M624 HydrophobicContact CE2-CG 4.25Å; M620-M624 HydrophobicContact CB-CE 4.11Å; M620-M624 WeakPolarHBondContact O-CB 3.5Å; M620-M624 VanDerWaalsContact O-CE 3.32Å; M620-M624 WeakPolarHBondContact O-CE 3.29Å; M620-M624 VanDerWaalsContact O-CG 3.31Å; M620-M624 WeakPolarHBondContact O-CG 3.35Å; M620-M624 PolarHBondContact O-N 2.94Å; E622-M624 PolarHBondContact O-N 3.31Å; M624-N626 PolarHBondContact O-N 2.95Å; M624-I627 PolarHBondContact O-N 3.4Å; M624-V664 HydrophobicContact CB-CG1 3.75Å; M624-V664 HydrophobicContact CB-CG2 4.16Å; M624-V664 HydrophobicContact CG-CG2 4.43Å; M624-V664 HydrophobicContact SD-CG1 4.31Å; M624-V664 HydrophobicContact SD-CG2 4.33Å; M624-I667 HydrophobicContact CE-CG2 3.92Å; M624-I667 HydrophobicContact SD-CD1 4.29Å; M624-I667 HydrophobicContact SD-CG2 4.34Å; M624-F668 HydrophobicContact CB-CE1 3.99Å; M624-F668 HydrophobicContact CB-CZ 4.27Å; M624-F668 HydrophobicContact CE-CD1 4.41Å; M624-F668 HydrophobicContact CE-CE1 3.92Å; M624-F668 HydrophobicContact SD-CE1 4.35Å
625A88.5Confident78.7Confident4 Ų428.3 Ų28.33%0.03316%0.157CC..Hα-helixtrans-61.5-28.6177.600000112.6L621 E622 N623 I627 F628 Y629 I688 I692L621-A625 PolarHBondContact O-N 3.5Å; L621-A625 VanDerWaalsContact O-N 3.13Å; E622-A625 WeakPolarHBondContact O-CB 3.48Å; E622-A625 PolarHBondContact O-N 3.46Å; N623-A625 VanDerWaalsContact C-N 3.33Å; N623-A625 PolarHBondContact O-N 3.5Å; A625-I627 PolarHBondContact O-N 3.43Å; A625-I627 VanDerWaalsContact O-N 3.11Å; A625-F628 WeakPolarHBondContact O-CB 3.49Å; A625-F628 PolarHBondContact O-N 2.92Å; A625-Y629 HydrophobicContact CB-CE2 4.34Å; A625-I688 HydrophobicContact CB-CG2 3.69Å; A625-I692 HydrophobicContact CB-CD1 3.94Å; A625-I692 HydrophobicContact CB-CG1 4.16Å
626N84.9Confident76.8Confident45 Ų4532.6 Ų32.624%0.24118%0.179CC..G310 helixtrans-59.2-24.8180-65.7-40.1000113.9L511 N623 M624 F628 Y629 A630L511-N626 HydrophobicContact CD2-CB 4.07Å; N623-N626 PolarHBondContact O-N 3.45Å; N623-N626 PolarHBondContact O-ND2 3.43Å; M624-N626 PolarHBondContact O-N 2.95Å; N626-F628 PolarHBondContact O-N 3.3Å; N626-Y629 PolarHBondContact O-N 3.43Å; N626-A630 PolarHBondContact O-N 2.94Å
627I87.9Confident74.5Confident4 Ų438.4 Ų38.42%0.02121%0.21CC..G310 helixtrans-62-31.3175.2-66.2174.9000111.9L510 V524 M624 A625 Y629 Q657 L660 V664L510-I627 HydrophobicContact CD2-CD1 4.01Å; V524-I627 HydrophobicContact CG2-CD1 3.51Å; M624-I627 PolarHBondContact O-N 3.4Å; A625-I627 PolarHBondContact O-N 3.43Å; A625-I627 VanDerWaalsContact O-N 3.11Å; I627-Y629 VanDerWaalsContact C-N 3.27Å; I627-Y629 PolarHBondContact O-N 3.44Å; I627-Q657 PolarHBondContact O-NE2 2.95Å; I627-Q657 VanDerWaalsContact O-NE2 3.15Å; I627-L660 HydrophobicContact CG2-CB 3.84Å; I627-L660 HydrophobicContact CG2-CD1 4.44Å; I627-V664 HydrophobicContact CD1-CG2 3.96Å
628F87.2Confident72Confident5 Ų543.5 Ų43.52%0.02225%0.246CC..G310 helixtrans-75-16.2175-66.3-96.3000113.1A625 N626 C661 V664 L665 I692 T696 W710A625-F628 WeakPolarHBondContact O-CB 3.49Å; A625-F628 PolarHBondContact O-N 2.92Å; N626-F628 PolarHBondContact O-N 3.3Å; F628-C661 HydrophobicContact CD1-CB 4.26Å; F628-C661 HydrophobicContact CE1-CB 3.6Å; F628-C661 HydrophobicContact CE2-CB 4.46Å; F628-C661 HydrophobicContact CZ-CB 3.71Å; F628-V664 HydrophobicContact CE2-CB 4.1Å; F628-V664 HydrophobicContact CE2-CG1 3.81Å; F628-V664 HydrophobicContact CZ-CG1 4.49Å; F628-L665 HydrophobicContact CE1-CD1 4.49Å; F628-L665 HydrophobicContact CZ-CD1 4.34Å; F628-L665 HydrophobicContact CZ-CD2 4.25Å; F628-L665 HydrophobicContact CZ-CG 3.99Å; F628-I692 HydrophobicContact CB-CG1 4.42Å; F628-I692 HydrophobicContact CB-CG2 4.03Å; F628-I692 HydrophobicContact CD1-CG2 3.64Å; F628-I692 HydrophobicContact CD2-CD1 3.92Å; F628-I692 HydrophobicContact CD2-CG1 4.35Å; F628-I692 HydrophobicContact CD2-CG2 4.41Å; F628-I692 HydrophobicContact CE1-CG2 4.2Å; F628-I692 HydrophobicContact CE2-CD1 4.15Å; F628-I692 HydrophobicContact CG-CD1 4.33Å; F628-I692 HydrophobicContact CG-CG1 4.35Å; F628-I692 HydrophobicContact CG-CG2 3.77Å; F628-T696 HydrophobicContact CB-CG2 4.2Å; F628-T696 WeakPolarHBondContact O-CG2 3.43Å; F628-W710 HydrophobicContact CD1-CH2 4.09Å; F628-W710 HydrophobicContact CD1-CZ3 4.41Å
629Y82.6Confident69.5Low57 Ų5750.9 Ų50.922%0.22428%0.28CS..G310 helixtrans-100.7-3-178.6-51.1-34.5000113A625 N626 I627 D691 I692 K695 T696A625-Y629 HydrophobicContact CB-CE2 4.34Å; N626-Y629 PolarHBondContact O-N 3.43Å; I627-Y629 VanDerWaalsContact C-N 3.27Å; I627-Y629 PolarHBondContact O-N 3.44Å; Y629-D691 PolarHBondContact OH-OD2 2.94Å; Y629-I692 HydrophobicContact CE1-CG1 4.33Å; Y629-I692 WeakPolarHBondContact OH-CA 3.33Å; Y629-I692 PolarHBondContact OH-N 3.37Å; Y629-K695 HydrophobicContact CD1-CB 4.24Å; Y629-K695 HydrophobicContact CD1-CD 4.19Å; Y629-K695 HydrophobicContact CE1-CB 3.79Å; Y629-K695 HydrophobicContact CE1-CD 3.61Å; Y629-K695 HydrophobicContact CE1-CG 4.34Å; Y629-K695 HydrophobicContact CE2-CD 4.25Å; Y629-T696 HydrophobicContact CD1-CG2 4.31Å; Y629-T696 HydrophobicContact CE1-CG2 4.39Å
630A76.2Confident67Low31 Ų3154.7 Ų54.726%0.25631%0.309SS..SBendtrans-77.9140.8-176.700000113.7L514 N626 S632 Q657L514-A630 HydrophobicContact CD1-CB 3.82Å; L514-A630 HydrophobicContact CD2-CB 4.38Å; L514-A630 HydrophobicContact CG-CB 3.86Å; N626-A630 PolarHBondContact O-N 2.94Å; A630-S632 PolarHBondContact O-N 3.42Å; A630-Q657 PolarHBondContact O-NE2 3.36Å
631S69.3Low64.2Low46 Ų4664.1 Ų64.132%0.32235%0.353SS..  trans-73.5119.6176.8178.30000112L633 Q706S631-L633 VanDerWaalsContact C-N 3.34Å; S631-L633 PolarHBondContact O-N 3.13Å; S631-L633 PolarHBondContact OG-O 3.22Å; S631-Q706 PolarHBondContact OG-NE2 3.06Å
632S62.1Low61.5Low2 Ų271.7 Ų71.71%0.01439%0.393CS..SBendtrans-74.1-13.5176.756.60000116A630 Q706A630-S632 PolarHBondContact O-N 3.42Å; S632-Q706 VanDerWaalsContact N-NE2 3.11Å; S632-Q706 WeakPolarHBondContact OG-CG 3.25Å; S632-Q706 PolarHBondContact OG-NE2 2.62Å
633L54.6Low59Low92 Ų9274.6 Ų74.648%0.48242%0.415SS..SBendtrans-117.1136.8-176.7-75.6163.3000110S631 Q706S631-L633 VanDerWaalsContact C-N 3.34Å; S631-L633 PolarHBondContact O-N 3.13Å; S631-L633 PolarHBondContact OG-O 3.22Å; L633-Q706 HydrophobicContact CD1-CB 4.29Å; L633-Q706 HydrophobicContact CD1-CG 4.03Å; L633-Q706 VanDerWaalsContact N-NE2 3.17Å
634N50.9Low56.4Low76 Ų7681.2 Ų81.241%0.40645%0.451SS..  trans-87.1114177.1-159.1-28.1000108.1E515 N636E515-N634 PolarHBondContact OE1-ND2 2.75Å; N634-N636 VanDerWaalsContact C-N 3.26Å; N634-N636 PolarHBondContact O-N 3.04Å
635P47.6Very low53.4Low74 Ų7492.8 Ų92.848%0.48150%0.495SS..SBendtrans-70.6-17-165.326.4-34.8000114.5L637 S638P635-L637 PolarHBondContact O-N 2.65Å; P635-S638 PolarHBondContact O-OG 3Å
636N41.6Very low50.7Low128 Ų12899.8 Ų99.868%0.68453%0.53SS*.THydrogen-bonded Turntrans-75.428.3-168.9-62.2-10.9000115.2N634N634-N636 VanDerWaalsContact C-N 3.26Å; N634-N636 PolarHBondContact O-N 3.04Å
637L37.5Very low48.2Very low123 Ų123103.2 Ų103.264%0.64456%0.557SS**THydrogen-bonded Turntrans-128.20.3179.9-79.5173.5000114.5P635P635-L637 PolarHBondContact O-N 2.65Å
638S32.7Very low45.7Very low108 Ų108108.7 Ų108.776%0.75559%0.591SS**SBendtrans-91.98.4-179.659.50000115.2P635P635-S638 PolarHBondContact O-OG 3Å
639E32.9Very low43.4Very low178 Ų178113.4 Ų113.483%0.83263%0.625SS**  trans-146.667.6-172.9-144.1162.9-10300114.8
640S31.6Very low41.9Very low105 Ų105113.3 Ų113.373%0.73464%0.641SS**  trans-14487.5160.466.60000111.7N642S640-N642 PolarHBondContact O-N 2.66Å
641Q29.1Very low41.2Very low198 Ų198114.9 Ų114.993%0.92565%0.648SS**  trans-71.190.7165.4-69.9-169.217.900109.9
642N32.3Very low41.3Very low160 Ų160116.2 Ų116.286%0.85665%0.651SS**  trans-156.9145.7153.5-104.1-51.2000110.8S640S640-N642 PolarHBondContact O-N 2.66Å
643T32.5Very low42.2Very low122 Ų122117.5 Ų117.575%0.74866%0.656SS**  trans-86.4153-167.650.60000113.2
644N31Very low43.5Very low147 Ų147113.7 Ų113.779%0.78664%0.636SS**  trans65.880.3164.5-55.5-39.5000118
645R28.8Very low45.1Very low244 Ų244115.9 Ų115.992%0.92164%0.642SS**SBend-172.6134.2119.6-101.8155.9-174.1-166.51.6113.9
646I32.4Very low46.9Very low150 Ų150116.7 Ų116.777%0.76964%0.636SS**  trans42.899.1158.4-52173.1000115.4T648I646-T648 PolarHBondContact O-N 2.88Å
647S31.9Very low49Very low118 Ų118110.6 Ų110.683%0.82560%0.604SS**  trans-63101.7170.752.40000112
648T35.4Very low51.4Low119 Ų119105.4 Ų105.473%0.7358%0.576SS**PPolyproline II helixtrans-73.6122.1160.940.70000108.7I646 G650I646-T648 PolarHBondContact O-N 2.88Å; T648-G650 PolarHBondContact O-N 3.24Å
649S39.3Very low54Low104 Ų104102.5 Ų102.573%0.72755%0.552SS**PPolyproline II helixtrans-72.6116.5-176.852.80000111.1T651S649-T651 PolarHBondContact O-N 3.33Å
650G51.2Low56.7Low55 Ų5594 Ų9457%0.56751%0.513SS*.PPolyproline II helixtrans-55.9121.7171.300000111T648 D652T648-G650 PolarHBondContact O-N 3.24Å; G650-D652 PolarHBondContact O-N 3.16Å
651T60.2Low59.5Low64 Ų6489 Ų8939%0.39348%0.478SS..PPolyproline II helixtrans-73.2121.9-176.321.90000111.9Q469 S649 Y653Q469-T651 PolarHBondContact NE2-OG1 3.14Å; S649-T651 PolarHBondContact O-N 3.33Å; T651-Y653 WeakPolarHBondContact O-CD2 3.4Å; T651-Y653 WeakPolarHBondContact O-CE2 3.28Å; T651-Y653 PolarHBondContact O-N 2.98Å; T651-Y653 PolarHBondContact OG1-OH 3.13Å
652D72.4Confident62.5Low74 Ų7482.4 Ų82.440%0.39645%0.445SS..  trans-86.7103-177-178.117.6000111.9G650 T654 K709G650-D652 PolarHBondContact O-N 3.16Å; D652-T654 PolarHBondContact O-N 3.03Å; D652-T654 WeakPolarHBondContact OD1-CB 3.44Å; D652-T654 PolarHBondContact OD1-N 3.32Å; D652-T654 PolarHBondContact OD1-OG1 3.37Å; D652-K709 IonicContact OD1-NZ 3.33Å; D652-K709 PolarHBondContact OD1-NZ 3.4Å; D652-K709 WeakPolarHBondContact OD2-CE 3.44Å; D652-K709 IonicContact OD2-NZ 2.79Å; D652-K709 PolarHBondContact OD2-NZ 3.41Å
653Y80.6Confident65.3Low29 Ų2976.7 Ų76.711%0.11441%0.414CS..THydrogen-bonded Turntrans-78.3-2.1-179.3-58-72.6000114.1E515 T651 K655 Y656 Q657E515-Y653 HydrophobicContact CB-CE1 4.21Å; E515-Y653 HydrophobicContact CB-CE2 4.38Å; E515-Y653 VanDerWaalsContact CD-OH 3.27Å; E515-Y653 HydrophobicContact CG-CD2 4.39Å; E515-Y653 HydrophobicContact CG-CE1 4.33Å; E515-Y653 HydrophobicContact CG-CE2 3.63Å; E515-Y653 WeakPolarHBondContact CG-OH 3.41Å; E515-Y653 WeakPolarHBondContact OE1-CE2 3.46Å; E515-Y653 VanDerWaalsContact OE1-CZ 3.27Å; E515-Y653 PolarHBondContact OE1-OH 3.22Å; T651-Y653 WeakPolarHBondContact O-CD2 3.4Å; T651-Y653 WeakPolarHBondContact O-CE2 3.28Å; T651-Y653 PolarHBondContact O-N 2.98Å; T651-Y653 PolarHBondContact OG1-OH 3.13Å; Y653-K655 PolarHBondContact O-N 2.81Å; Y653-K655 VanDerWaalsContact O-N 3.1Å; Y653-Y656 HydrophobicContact CD1-CD2 4.21Å; Y653-Y656 PolarHBondContact O-N 3.2Å; Y653-Q657 PolarHBondContact O-N 3.27Å; Y653-Q657 VanDerWaalsContact O-N 3.09Å
654T81.6Confident68.2Low11 Ų1170.9 Ų70.97%0.06738%0.378CS..Hα-helixtrans-46.8-42.8-179.3-64.30000113.2D652 Q657 I658 K709 W710D652-T654 PolarHBondContact O-N 3.03Å; D652-T654 WeakPolarHBondContact OD1-CB 3.44Å; D652-T654 PolarHBondContact OD1-N 3.32Å; D652-T654 PolarHBondContact OD1-OG1 3.37Å; T654-Q657 PolarHBondContact O-N 3.3Å; T654-I658 HydrophobicContact CG2-CD1 3.78Å; T654-I658 VanDerWaalsContact O-CG1 3.32Å; T654-I658 WeakPolarHBondContact O-CG1 3.24Å; T654-I658 PolarHBondContact O-N 3Å; T654-K709 HydrophobicContact CG2-CG 4.44Å; T654-W710 HydrophobicContact CG2-CB 3.82Å
655K84.8Confident71.1Confident122 Ų12263.9 Ų63.953%0.5334%0.341SS..Hα-helixtrans-61.1-47.7179-176.3-172.1172.6-168.60111.9Y653 I658 D659Y653-K655 PolarHBondContact O-N 2.81Å; Y653-K655 VanDerWaalsContact O-N 3.1Å; K655-I658 PolarHBondContact O-N 3.14Å; K655-D659 PolarHBondContact O-N 3.12Å
656Y85.1Confident74Confident91 Ų9157.3 Ų57.336%0.35732%0.32SS..Hα-helixtrans-68.4-35.9-177.7-57.8-66.2000111.6H517 Y653 D659 L660H517-Y656 HydrophobicContact CB-CG 4.23Å; H517-Y656 AromaticContact CD2-CD1 3.46Å; H517-Y656 VanDerWaalsContact CD2-CD1 3.46Å; H517-Y656 WeakPolarHBondContact CD2-CD1 2.9Å; H517-Y656 AromaticContact CD2-CE1 3.76Å; H517-Y656 AromaticContact CD2-CG 3.68Å; H517-Y656 AromaticContact CG-CG 3.92Å; H517-Y656 AromaticContact NE2-CD1 3.98Å; H517-Y656 AromaticContact NE2-CE1 3.79Å; H517-Y656 AromaticContact NE2-CZ 3.9Å; Y653-Y656 HydrophobicContact CD1-CD2 4.21Å; Y653-Y656 PolarHBondContact O-N 3.2Å; Y656-D659 PolarHBondContact O-N 3.41Å; Y656-L660 WeakPolarHBondContact O-CB 3.37Å; Y656-L660 VanDerWaalsContact O-CG 3.28Å; Y656-L660 WeakPolarHBondContact O-CG 3.47Å; Y656-L660 PolarHBondContact O-N 3.41Å
657Q86.1Confident76.7Confident0 Ų050.4 Ų50.40%029%0.285CS..Hα-helixtrans-62-45.7171.8-171.1172.925.500111.6L514 I627 A630 Y653 T654 D659 L660 C661L514-Q657 HydrophobicContact CD1-CB 4.04Å; L514-Q657 HydrophobicContact CD1-CG 4.04Å; L514-Q657 HydrophobicContact CD2-CB 4.19Å; L514-Q657 HydrophobicContact CD2-CG 4.29Å; I627-Q657 PolarHBondContact O-NE2 2.95Å; I627-Q657 VanDerWaalsContact O-NE2 3.15Å; A630-Q657 PolarHBondContact O-NE2 3.36Å; Y653-Q657 PolarHBondContact O-N 3.27Å; Y653-Q657 VanDerWaalsContact O-N 3.09Å; T654-Q657 PolarHBondContact O-N 3.3Å; Q657-D659 VanDerWaalsContact C-N 3.32Å; Q657-D659 PolarHBondContact O-N 3.27Å; Q657-L660 PolarHBondContact O-N 2.82Å; Q657-C661 WeakPolarHBondContact O-CB 3.17Å; Q657-C661 PolarHBondContact O-N 2.75Å; Q657-C661 PolarHBondContact O-SG 3.01Å
658I87.7Confident79.6Confident14 Ų1444.8 Ų44.87%0.07225%0.246CC..Hα-helixtrans-58.2-44.6176.5-72.2164.4000111.4T654 K655 R662 W710 N713 L716T654-I658 HydrophobicContact CG2-CD1 3.78Å; T654-I658 VanDerWaalsContact O-CG1 3.32Å; T654-I658 WeakPolarHBondContact O-CG1 3.24Å; T654-I658 PolarHBondContact O-N 3Å; K655-I658 PolarHBondContact O-N 3.14Å; I658-R662 VanDerWaalsContact O-CG 3.28Å; I658-R662 WeakPolarHBondContact O-CG 3.4Å; I658-R662 PolarHBondContact O-N 3.27Å; I658-R662 VanDerWaalsContact O-N 3.08Å; I658-W710 HydrophobicContact CD1-CB 4.35Å; I658-W710 HydrophobicContact CG1-CB 4.15Å; I658-N713 HydrophobicContact CD1-CB 4.05Å; I658-L716 HydrophobicContact CB-CD2 4.29Å; I658-L716 HydrophobicContact CG1-CD2 4.02Å; I658-L716 HydrophobicContact CG2-CD2 4.23Å
659D87.5Confident82.1Confident47 Ų4740.8 Ų40.825%0.25122%0.219SC..Hα-helixtrans-73.8-33.4-178.3-70.6-30.7000112.6F521 K655 Y656 Q657 R662 L663F521-D659 HydrophobicContact CE1-CB 4.39Å; F521-D659 HydrophobicContact CZ-CB 3.8Å; K655-D659 PolarHBondContact O-N 3.12Å; Y656-D659 PolarHBondContact O-N 3.41Å; Q657-D659 VanDerWaalsContact C-N 3.32Å; Q657-D659 PolarHBondContact O-N 3.27Å; D659-R662 IonicContact OD1-CZ 2.87Å; D659-R662 IonicContact OD1-NH1 2.99Å; D659-R662 PolarHBondContact OD1-NH1 3.44Å; D659-L663 PolarHBondContact O-N 3.35Å
660L88.9Confident84.2Confident0 Ų039.1 Ų39.10%020%0.199CC..Hα-helixtrans-63.3-49.7168.8-77.5166.7000111.7L514 H517 L520 F521 I627 Y656 Q657 R662 L663 V664L514-L660 HydrophobicContact CD2-CD1 3.97Å; H517-L660 HydrophobicContact CB-CD1 4.41Å; L520-L660 HydrophobicContact CB-CD1 3.98Å; L520-L660 HydrophobicContact CB-CD2 3.86Å; L520-L660 HydrophobicContact CD1-CD1 4.06Å; F521-L660 HydrophobicContact CB-CD2 4.15Å; F521-L660 HydrophobicContact CD1-CD2 3.55Å; F521-L660 HydrophobicContact CD1-CG 4.26Å; F521-L660 HydrophobicContact CD2-CD2 3.72Å; F521-L660 HydrophobicContact CD2-CG 4.1Å; F521-L660 HydrophobicContact CE1-CB 4.47Å; F521-L660 HydrophobicContact CE1-CD2 3.74Å; F521-L660 HydrophobicContact CE1-CG 3.94Å; F521-L660 HydrophobicContact CE2-CD2 3.9Å; F521-L660 HydrophobicContact CE2-CG 3.77Å; F521-L660 HydrophobicContact CG-CD2 3.52Å; F521-L660 HydrophobicContact CG-CG 4.31Å; F521-L660 HydrophobicContact CZ-CB 4.39Å; F521-L660 HydrophobicContact CZ-CD2 3.91Å; F521-L660 HydrophobicContact CZ-CG 3.68Å; I627-L660 HydrophobicContact CG2-CB 3.84Å; I627-L660 HydrophobicContact CG2-CD1 4.44Å; Y656-L660 WeakPolarHBondContact O-CB 3.37Å; Y656-L660 VanDerWaalsContact O-CG 3.28Å; Y656-L660 WeakPolarHBondContact O-CG 3.47Å; Y656-L660 PolarHBondContact O-N 3.41Å; Q657-L660 PolarHBondContact O-N 2.82Å; L660-R662 PolarHBondContact O-N 3.37Å; L660-L663 PolarHBondContact O-N 3.46Å; L660-V664 PolarHBondContact O-N 3.08Å
661C91.1Very high85.8Confident0 Ų036.5 Ų36.50%017%0.172CC..Hα-helixtrans-60.1-34.4179-69.40000112F628 Q657 L665 L716F628-C661 HydrophobicContact CD1-CB 4.26Å; F628-C661 HydrophobicContact CE1-CB 3.6Å; F628-C661 HydrophobicContact CE2-CB 4.46Å; F628-C661 HydrophobicContact CZ-CB 3.71Å; Q657-C661 WeakPolarHBondContact O-CB 3.17Å; Q657-C661 PolarHBondContact O-N 2.75Å; Q657-C661 PolarHBondContact O-SG 3.01Å; C661-L665 VanDerWaalsContact O-CG 3.29Å; C661-L665 WeakPolarHBondContact O-CG 3.46Å; C661-L665 PolarHBondContact O-N 3.14Å; C661-L716 HydrophobicContact CB-CD1 3.78Å; C661-L716 HydrophobicContact CB-CD2 4.13Å
662R91.6Very high86.8Confident60 Ų6033.7 Ų33.723%0.22615%0.154CC..Hα-helixtrans-63.8-44.8172.5-74.5166.4-179.4164.7-1.6112.3I658 D659 L660 L665 Q666 N713 L716I658-R662 VanDerWaalsContact O-CG 3.28Å; I658-R662 WeakPolarHBondContact O-CG 3.4Å; I658-R662 PolarHBondContact O-N 3.27Å; I658-R662 VanDerWaalsContact O-N 3.08Å; D659-R662 IonicContact OD1-CZ 2.87Å; D659-R662 IonicContact OD1-NH1 2.99Å; D659-R662 PolarHBondContact OD1-NH1 3.44Å; L660-R662 PolarHBondContact O-N 3.37Å; R662-L665 PolarHBondContact O-N 3.17Å; R662-Q666 WeakPolarHBondContact O-CG 3.46Å; R662-Q666 PolarHBondContact O-N 3.18Å; R662-N713 PolarHBondContact NH2-ND2 3.22Å; R662-N713 PolarHBondContact NH2-OD1 2.92Å; R662-L716 HydrophobicContact CG-CD1 4.15Å
663L91.3Very high87.1Confident40 Ų4033.6 Ų33.621%0.20915%0.154CC..Hα-helixtrans-64-43.3178.2-177.863.4000111.4F521 V524 D659 L660 L665 Q666 I667F521-L663 HydrophobicContact CD1-CD2 3.9Å; F521-L663 HydrophobicContact CE1-CD2 4.48Å; V524-L663 HydrophobicContact CB-CD2 4.2Å; V524-L663 HydrophobicContact CG1-CB 4.39Å; V524-L663 HydrophobicContact CG1-CD2 3.64Å; V524-L663 HydrophobicContact CG1-CG 3.72Å; D659-L663 PolarHBondContact O-N 3.35Å; L660-L663 PolarHBondContact O-N 3.46Å; L663-L665 VanDerWaalsContact C-N 3.35Å; L663-L665 PolarHBondContact O-N 3.03Å; L663-Q666 WeakPolarHBondContact O-CB 3.19Å; L663-Q666 PolarHBondContact O-N 2.68Å; L663-I667 HydrophobicContact CD1-CD1 4.47Å; L663-I667 HydrophobicContact CG-CD1 4.2Å; L663-I667 WeakPolarHBondContact O-CG1 3.23Å; L663-I667 PolarHBondContact O-N 3.26Å
664V93.4Very high86.7Confident0 Ų032.7 Ų32.70%015%0.152CC..Hα-helixtrans-59.5-44.7174.4176.20000111.2V524 M624 I627 F628 L660 Q666 I667 F668V524-V664 HydrophobicContact CG1-CG2 3.89Å; V524-V664 HydrophobicContact CG2-CG2 4.08Å; M624-V664 HydrophobicContact CB-CG1 3.75Å; M624-V664 HydrophobicContact CB-CG2 4.16Å; M624-V664 HydrophobicContact CG-CG2 4.43Å; M624-V664 HydrophobicContact SD-CG1 4.31Å; M624-V664 HydrophobicContact SD-CG2 4.33Å; I627-V664 HydrophobicContact CD1-CG2 3.96Å; F628-V664 HydrophobicContact CE2-CB 4.1Å; F628-V664 HydrophobicContact CE2-CG1 3.81Å; F628-V664 HydrophobicContact CZ-CG1 4.49Å; L660-V664 PolarHBondContact O-N 3.08Å; V664-Q666 VanDerWaalsContact C-N 3.34Å; V664-Q666 PolarHBondContact O-N 2.92Å; V664-I667 PolarHBondContact O-N 3.1Å; V664-F668 HydrophobicContact CG1-CD1 3.79Å; V664-F668 HydrophobicContact CG1-CE1 3.33Å; V664-F668 HydrophobicContact CG1-CE2 4.18Å; V664-F668 HydrophobicContact CG1-CG 4.4Å; V664-F668 HydrophobicContact CG1-CZ 3.55Å; V664-F668 WeakPolarHBondContact O-CD1 3.31Å; V664-F668 WeakPolarHBondContact O-CG 3.29Å; V664-F668 PolarHBondContact O-N 3.27Å
665L92.3Very high85.8Confident0 Ų038.1 Ų38.10%018%0.18CC..Hα-helixtrans-65.1-35176.6-69.8169.5000112.9F628 C661 R662 L663 F668 Q669 L689 L716 N719 L720 T723F628-L665 HydrophobicContact CE1-CD1 4.49Å; F628-L665 HydrophobicContact CZ-CD1 4.34Å; F628-L665 HydrophobicContact CZ-CD2 4.25Å; F628-L665 HydrophobicContact CZ-CG 3.99Å; C661-L665 VanDerWaalsContact O-CG 3.29Å; C661-L665 WeakPolarHBondContact O-CG 3.46Å; C661-L665 PolarHBondContact O-N 3.14Å; R662-L665 PolarHBondContact O-N 3.17Å; L663-L665 VanDerWaalsContact C-N 3.35Å; L663-L665 PolarHBondContact O-N 3.03Å; L665-F668 PolarHBondContact O-N 2.9Å; L665-Q669 WeakPolarHBondContact O-CB 3.36Å; L665-Q669 VanDerWaalsContact O-CG 3.25Å; L665-Q669 WeakPolarHBondContact O-CG 3.42Å; L665-Q669 PolarHBondContact O-N 3.49Å; L665-L689 HydrophobicContact CD2-CD2 4.29Å; L665-L716 HydrophobicContact CD1-CD1 3.84Å; L665-N719 HydrophobicContact CD1-CB 3.9Å; L665-L720 HydrophobicContact CD1-CB 4.18Å; L665-L720 HydrophobicContact CD1-CD1 4.46Å; L665-L720 HydrophobicContact CD2-CD1 3.78Å; L665-T723 HydrophobicContact CD2-CG2 4.03Å
666Q89.7Confident85.3Confident105 Ų10535 Ų3549%0.49117%0.168SC..Hα-helixtrans-63-42173-73.9171.4-47.200111.5R662 L663 V664 Q669 F670R662-Q666 WeakPolarHBondContact O-CG 3.46Å; R662-Q666 PolarHBondContact O-N 3.18Å; L663-Q666 WeakPolarHBondContact O-CB 3.19Å; L663-Q666 PolarHBondContact O-N 2.68Å; V664-Q666 VanDerWaalsContact C-N 3.34Å; V664-Q666 PolarHBondContact O-N 2.92Å; Q666-Q669 PolarHBondContact O-N 3.49Å; Q666-F670 PolarHBondContact O-N 3.02Å
667I89Confident85.2Confident6 Ų631.4 Ų31.43%0.03116%0.155CC..Hα-helixtrans-67.8-38.3175.9-65.2163.2000111.2V524 L531 M624 L663 V664 F670 A671V524-I667 HydrophobicContact CG1-CD1 3.45Å; V524-I667 VanDerWaalsContact CG1-CD1 3.45Å; V524-I667 VanDerWaalsContact O-CD1 3.23Å; V524-I667 WeakPolarHBondContact O-CD1 3.38Å; L531-I667 HydrophobicContact CD1-CG2 3.47Å; L531-I667 VanDerWaalsContact CD1-CG2 3.47Å; M624-I667 HydrophobicContact CE-CG2 3.92Å; M624-I667 HydrophobicContact SD-CD1 4.29Å; M624-I667 HydrophobicContact SD-CG2 4.34Å; L663-I667 HydrophobicContact CD1-CD1 4.47Å; L663-I667 HydrophobicContact CG-CD1 4.2Å; L663-I667 WeakPolarHBondContact O-CG1 3.23Å; L663-I667 PolarHBondContact O-N 3.26Å; V664-I667 PolarHBondContact O-N 3.1Å; I667-F670 PolarHBondContact O-N 2.83Å; I667-A671 WeakPolarHBondContact O-CB 3.29Å; I667-A671 PolarHBondContact O-N 3.15Å
668F92.3Very high85Confident0 Ų034.4 Ų34.40%017%0.173CC..Hα-helixtrans-66.2-39.5175.2-74.521.3000111.3L621 M624 V664 L665 S672 L685 I688 L689 I692 T723L621-F668 HydrophobicContact CB-CE1 4.4Å; L621-F668 HydrophobicContact CB-CZ 4.43Å; L621-F668 HydrophobicContact CD2-CD1 3.34Å; L621-F668 HydrophobicContact CD2-CD2 4.46Å; L621-F668 HydrophobicContact CD2-CE1 3.38Å; L621-F668 HydrophobicContact CD2-CE2 4.49Å; L621-F668 HydrophobicContact CD2-CG 3.93Å; L621-F668 HydrophobicContact CD2-CZ 3.99Å; L621-F668 HydrophobicContact CG-CE1 4.48Å; L621-F668 WeakPolarHBondContact O-CZ 3.41Å; M624-F668 HydrophobicContact CB-CE1 3.99Å; M624-F668 HydrophobicContact CB-CZ 4.27Å; M624-F668 HydrophobicContact CE-CD1 4.41Å; M624-F668 HydrophobicContact CE-CE1 3.92Å; M624-F668 HydrophobicContact SD-CE1 4.35Å; V664-F668 HydrophobicContact CG1-CD1 3.79Å; V664-F668 HydrophobicContact CG1-CE1 3.33Å; V664-F668 HydrophobicContact CG1-CE2 4.18Å; V664-F668 HydrophobicContact CG1-CG 4.4Å; V664-F668 HydrophobicContact CG1-CZ 3.55Å; V664-F668 WeakPolarHBondContact O-CD1 3.31Å; V664-F668 WeakPolarHBondContact O-CG 3.29Å; V664-F668 PolarHBondContact O-N 3.27Å; L665-F668 PolarHBondContact O-N 2.9Å; F668-S672 VanDerWaalsContact O-CB 3.27Å; F668-S672 WeakPolarHBondContact O-CB 3.47Å; F668-S672 PolarHBondContact O-N 2.9Å; F668-L685 HydrophobicContact CB-CD1 4.46Å; F668-L685 HydrophobicContact CD2-CD1 4.16Å; F668-L685 HydrophobicContact CG-CD1 4.33Å; F668-I688 HydrophobicContact CE2-CG2 4.03Å; F668-I688 HydrophobicContact CZ-CG2 4.33Å; F668-L689 HydrophobicContact CD2-CD2 3.97Å; F668-L689 HydrophobicContact CD2-CG 4.27Å; F668-L689 HydrophobicContact CE2-CD2 4.47Å; F668-I692 HydrophobicContact CE2-CD1 4.09Å; F668-T723 HydrophobicContact CB-CG2 3.92Å
669Q89Confident84.7Confident35 Ų3535.3 Ų35.316%0.16418%0.181CC..Hα-helixtrans-63.6-42.3171.3-73175.618.800111.4L665 Q666 S672 N673 T723L665-Q669 WeakPolarHBondContact O-CB 3.36Å; L665-Q669 VanDerWaalsContact O-CG 3.25Å; L665-Q669 WeakPolarHBondContact O-CG 3.42Å; L665-Q669 PolarHBondContact O-N 3.49Å; Q666-Q669 PolarHBondContact O-N 3.49Å; Q669-S672 PolarHBondContact O-N 2.99Å; Q669-N673 VanDerWaalsContact O-CB 3.3Å; Q669-N673 WeakPolarHBondContact O-CB 3.39Å; Q669-N673 PolarHBondContact O-N 2.71Å; Q669-N673 PolarHBondContact O-ND2 3.04Å; Q669-N673 VanDerWaalsContact O-ND2 3.15Å; Q669-T723 HydrophobicContact CG-CG2 3.86Å; Q669-T723 PolarHBondContact NE2-OG1 3.29Å
670F82.9Confident84.4Confident69 Ų6939.5 Ų39.530%0.30320%0.198SC..Hα-helixtrans-62.8-47.6175.9-174.3-83.6000112L531 E532 Q666 I667 S672 N673 S674L531-F670 HydrophobicContact CB-CD1 4.07Å; L531-F670 HydrophobicContact CB-CE1 4.28Å; L531-F670 WeakPolarHBondContact O-CE1 3.35Å; E532-F670 HydrophobicContact CB-CE1 4.4Å; E532-F670 HydrophobicContact CB-CZ 4.21Å; E532-F670 HydrophobicContact CG-CD1 4.08Å; E532-F670 HydrophobicContact CG-CD2 4.05Å; E532-F670 HydrophobicContact CG-CE1 3.95Å; E532-F670 HydrophobicContact CG-CE2 3.9Å; E532-F670 HydrophobicContact CG-CG 4.15Å; E532-F670 HydrophobicContact CG-CZ 3.87Å; Q666-F670 PolarHBondContact O-N 3.02Å; I667-F670 PolarHBondContact O-N 2.83Å; F670-S672 PolarHBondContact O-N 2.86Å; F670-N673 CarbonylContact O-C 3.52Å; F670-N673 WeakPolarHBondContact O-CA 3.41Å; F670-N673 WeakPolarHBondContact O-CB 3.41Å; F670-N673 PolarHBondContact O-N 3.17Å; F670-S674 PolarHBondContact O-N 3.08Å; F670-S674 VanDerWaalsContact O-N 3.14Å
671A83.8Confident84.3Confident0 Ų039.5 Ų39.50%020%0.198CC..Hα-helixtrans-57.8-48.9175.700000111L531 I667 N673 S674 L677L531-A671 HydrophobicContact CD1-CB 4.24Å; L531-A671 HydrophobicContact CD2-CB 4.01Å; I667-A671 WeakPolarHBondContact O-CB 3.29Å; I667-A671 PolarHBondContact O-N 3.15Å; A671-N673 PolarHBondContact O-N 2.87Å; A671-S674 WeakPolarHBondContact O-CB 3.35Å; A671-S674 PolarHBondContact O-N 3.33Å; A671-S674 PolarHBondContact O-OG 3.08Å; A671-L677 WeakPolarHBondContact O-CD1 3.39Å
672S82.3Confident84.1Confident4 Ų439.8 Ų39.83%0.02820%0.2CC..Hα-helixtrans-60.5-26.8173.4179.30000113.5F668 Q669 F670 S674 W682 A727 R730F668-S672 VanDerWaalsContact O-CB 3.27Å; F668-S672 WeakPolarHBondContact O-CB 3.47Å; F668-S672 PolarHBondContact O-N 2.9Å; Q669-S672 PolarHBondContact O-N 2.99Å; F670-S672 PolarHBondContact O-N 2.86Å; S672-S674 VanDerWaalsContact C-N 3.32Å; S672-W682 VanDerWaalsContact O-CH2 3.31Å; S672-W682 WeakPolarHBondContact O-CH2 3.28Å; S672-W682 WeakPolarHBondContact OG-CH2 3.45Å; S672-A727 WeakPolarHBondContact OG-CA 3.39Å; S672-R730 WeakPolarHBondContact O-CD 3.36Å
673N79Confident83.8Confident73 Ų7339.1 Ų39.139%0.3920%0.204SC..Hα-helixtrans-81.7-12.6176.8-75-28.4000112.9Q669 F670 A671 R730Q669-N673 VanDerWaalsContact O-CB 3.3Å; Q669-N673 WeakPolarHBondContact O-CB 3.39Å; Q669-N673 PolarHBondContact O-N 2.71Å; Q669-N673 PolarHBondContact O-ND2 3.04Å; Q669-N673 VanDerWaalsContact O-ND2 3.15Å; F670-N673 CarbonylContact O-C 3.52Å; F670-N673 WeakPolarHBondContact O-CA 3.41Å; F670-N673 WeakPolarHBondContact O-CB 3.41Å; F670-N673 PolarHBondContact O-N 3.17Å; A671-N673 PolarHBondContact O-N 2.87Å; N673-R730 PolarHBondContact O-NH1 3.21Å; N673-R730 VanDerWaalsContact O-NH1 3.14Å; N673-R730 PolarHBondContact OD1-NE 2.89Å; N673-R730 PolarHBondContact OD1-NH2 2.62Å
674S71.3Confident83.6Confident10 Ų1039.1 Ų39.17%0.0720%0.202CC..  trans-84.6130.3178.778.70000112.3F670 A671 S672 E676F670-S674 PolarHBondContact O-N 3.08Å; F670-S674 VanDerWaalsContact O-N 3.14Å; A671-S674 WeakPolarHBondContact O-CB 3.35Å; A671-S674 PolarHBondContact O-N 3.33Å; A671-S674 PolarHBondContact O-OG 3.08Å; S672-S674 VanDerWaalsContact C-N 3.32Å; S674-E676 PolarHBondContact O-N 3.42Å
675N63.7Low83.5Confident124 Ų12439.1 Ų39.166%0.66320%0.202SC*.THydrogen-bonded Turntrans-78.824.2-179.9-59.7-12.8000113.1
676E73.5Confident83.5Confident58 Ų5839.2 Ų39.227%0.27120%0.203SC..THydrogen-bonded Turntrans-109.5-6.2-171.2-76165.2-160.600113.4K534 R537 Q614 S674K534-E676 WeakPolarHBondContact CD-OE1 3.45Å; K534-E676 WeakPolarHBondContact CE-OE1 3.4Å; K534-E676 IonicContact NZ-OE1 3.69Å; K534-E676 PolarHBondContact NZ-OE1 3.43Å; R537-E676 IonicContact CZ-OE2 3.77Å; R537-E676 IonicContact NH1-OE2 3.7Å; R537-E676 PolarHBondContact NH1-OE2 2.88Å; R537-E676 IonicContact NH2-OE2 2.61Å; R537-E676 PolarHBondContact NH2-OE2 3.18Å; Q614-E676 PolarHBondContact NE2-O 3.29Å; S674-E676 PolarHBondContact O-N 3.42Å
677L83.4Confident83.5Confident15 Ų1537 Ų378%0.07920%0.199CC..  trans-79.4130.8-176.2-53.9-174.9000112.3I617 A671 T681 W682 L685I617-L677 HydrophobicContact CD1-CD2 3.94Å; I617-L677 HydrophobicContact CG2-CD2 4.07Å; A671-L677 WeakPolarHBondContact O-CD1 3.39Å; L677-T681 HydrophobicContact CB-CG2 4.4Å; L677-T681 HydrophobicContact CD2-CG2 3.91Å; L677-W682 HydrophobicContact CB-CD2 4.31Å; L677-W682 HydrophobicContact CB-CG 4.32Å; L677-W682 HydrophobicContact CD1-CD2 4.07Å; L677-W682 HydrophobicContact CD1-CE3 4.18Å; L677-W682 HydrophobicContact CD1-CH2 4.25Å; L677-W682 HydrophobicContact CD1-CZ2 4.09Å; L677-W682 HydrophobicContact CD1-CZ3 4.28Å; L677-W682 PolarHBondContact O-NE1 2.88Å; L677-L685 HydrophobicContact CD1-CD2 4.24Å
678T82.5Confident83.7Confident63 Ų6337.2 Ų37.239%0.38720%0.2SC..  trans-75.6163.8170.357.40000111.9Q614 E680 T681 W682Q614-T678 HydrophobicContact CG-CG2 3.71Å; Q614-T678 PolarHBondContact OE1-OG1 2.97Å; T678-E680 PolarHBondContact O-N 2.57Å; T678-T681 PolarHBondContact O-N 2.85Å; T678-T681 VanDerWaalsContact O-N 3.09Å; T678-T681 PolarHBondContact OG1-OG1 2.94Å; T678-W682 PolarHBondContact O-N 2.84Å
679S79.7Confident83.7Confident33 Ų3337.2 Ų37.223%0.23120%0.2CC..Hα-helixtrans-60.7-30.9-178.2-163.20000113.9S683 S735 T736S679-S683 PolarHBondContact O-N 3.1Å; S679-S683 PolarHBondContact O-OG 3Å; S679-S735 WeakPolarHBondContact CA-OG 3.27Å; S679-S735 VanDerWaalsContact CB-OG 3.25Å; S679-S735 WeakPolarHBondContact CB-OG 3.2Å; S679-S735 PolarHBondContact OG-OG 3.33Å; S679-T736 PolarHBondContact OG-O 2.84Å
680E81.5Confident83.8Confident134 Ų13435.7 Ų35.763%0.62619%0.193SC*.Hα-helixtrans-69-44.9173.9-173.2177.2-148.500111.3T678 W682 S683 K684T678-E680 PolarHBondContact O-N 2.57Å; E680-W682 VanDerWaalsContact C-N 3.31Å; E680-W682 PolarHBondContact O-N 3.36Å; E680-S683 PolarHBondContact O-N 3.02Å; E680-K684 WeakPolarHBondContact O-CB 3.35Å; E680-K684 PolarHBondContact O-N 3.42Å
681T87.1Confident84.1Confident0 Ų034.9 Ų34.90%019%0.192CC..Hα-helixtrans-63.4-36.7175.8-53.40000112Q614 I617 Q618 L677 T678 K684 L685Q614-T681 PolarHBondContact OE1-OG1 2.81Å; I617-T681 HydrophobicContact CB-CG2 4.32Å; I617-T681 HydrophobicContact CG2-CG2 3.77Å; Q618-T681 HydrophobicContact CG-CG2 3.87Å; Q618-T681 PolarHBondContact NE2-OG1 2.66Å; L677-T681 HydrophobicContact CB-CG2 4.4Å; L677-T681 HydrophobicContact CD2-CG2 3.91Å; T678-T681 PolarHBondContact O-N 2.85Å; T678-T681 VanDerWaalsContact O-N 3.09Å; T678-T681 PolarHBondContact OG1-OG1 2.94Å; T681-K684 PolarHBondContact O-N 3.12Å; T681-L685 WeakPolarHBondContact O-CB 3.42Å; T681-L685 PolarHBondContact O-N 2.84Å
682W87.5Confident84.4Confident7 Ų734.9 Ų34.93%0.02719%0.192CC..Hα-helixtrans-62.2-49.4170.8-83.6117.4000112.5S672 L677 T678 E680 K684 L685 L686 A727 R730 A731 I737S672-W682 VanDerWaalsContact O-CH2 3.31Å; S672-W682 WeakPolarHBondContact O-CH2 3.28Å; S672-W682 WeakPolarHBondContact OG-CH2 3.45Å; L677-W682 HydrophobicContact CB-CD2 4.31Å; L677-W682 HydrophobicContact CB-CG 4.32Å; L677-W682 HydrophobicContact CD1-CD2 4.07Å; L677-W682 HydrophobicContact CD1-CE3 4.18Å; L677-W682 HydrophobicContact CD1-CH2 4.25Å; L677-W682 HydrophobicContact CD1-CZ2 4.09Å; L677-W682 HydrophobicContact CD1-CZ3 4.28Å; L677-W682 PolarHBondContact O-NE1 2.88Å; T678-W682 PolarHBondContact O-N 2.84Å; E680-W682 VanDerWaalsContact C-N 3.31Å; E680-W682 PolarHBondContact O-N 3.36Å; W682-K684 VanDerWaalsContact C-N 3.29Å; W682-K684 PolarHBondContact O-N 2.78Å; W682-L685 HydrophobicContact CE3-CD2 4.07Å; W682-L685 HydrophobicContact CZ3-CD2 4.01Å; W682-L685 PolarHBondContact O-N 2.87Å; W682-L686 WeakPolarHBondContact O-CG 3.48Å; W682-L686 PolarHBondContact O-N 3.28Å; W682-A727 HydrophobicContact CZ3-CB 4.41Å; W682-R730 HydrophobicContact CH2-CB 3.69Å; W682-R730 HydrophobicContact CZ2-CB 4.29Å; W682-R730 HydrophobicContact CZ3-CB 4.47Å; W682-A731 HydrophobicContact CB-CB 4.4Å; W682-A731 HydrophobicContact CD2-CB 3.66Å; W682-A731 HydrophobicContact CE3-CB 3.35Å; W682-A731 HydrophobicContact CG-CB 4.16Å; W682-A731 HydrophobicContact CH2-CB 4.38Å; W682-A731 HydrophobicContact CZ3-CB 3.75Å; W682-I737 HydrophobicContact CB-CD1 3.92Å; W682-I737 HydrophobicContact CG-CD1 4.49Å
683S84.9Confident84.8Confident45 Ų4534.7 Ų34.732%0.31519%0.191SC..Hα-helixtrans-59.8-39.8176.2-66.90000112S679 E680 S687S679-S683 PolarHBondContact O-N 3.1Å; S679-S683 PolarHBondContact O-OG 3Å; E680-S683 PolarHBondContact O-N 3.02Å; S683-S687 VanDerWaalsContact O-CB 3.27Å; S683-S687 WeakPolarHBondContact O-CB 3.43Å; S683-S687 PolarHBondContact O-N 3.36Å
684K86.8Confident85.2Confident40 Ų4036.3 Ų36.317%0.17419%0.191CC..Hα-helixtrans-65.4-45.9175.6-175.462.1165.7-174.80112.2Q618 E622 E680 T681 W682 L686 S687 I688Q618-K684 HydrophobicContact CB-CG 4.04Å; Q618-K684 HydrophobicContact CG-CB 4.13Å; Q618-K684 HydrophobicContact CG-CG 4.01Å; E622-K684 IonicContact OE1-NZ 2.8Å; E622-K684 PolarHBondContact OE1-NZ 3.5Å; E622-K684 VanDerWaalsContact OE2-CE 3.23Å; E622-K684 WeakPolarHBondContact OE2-CE 3.22Å; E622-K684 IonicContact OE2-NZ 2.77Å; E622-K684 PolarHBondContact OE2-NZ 2.83Å; E680-K684 WeakPolarHBondContact O-CB 3.35Å; E680-K684 PolarHBondContact O-N 3.42Å; T681-K684 PolarHBondContact O-N 3.12Å; W682-K684 VanDerWaalsContact C-N 3.29Å; W682-K684 PolarHBondContact O-N 2.78Å; K684-L686 PolarHBondContact O-N 2.94Å; K684-S687 PolarHBondContact O-N 2.93Å; K684-I688 HydrophobicContact CD-CD1 4.11Å; K684-I688 HydrophobicContact CD-CG1 4.44Å; K684-I688 HydrophobicContact CG-CD1 3.92Å; K684-I688 WeakPolarHBondContact O-CB 3.46Å; K684-I688 WeakPolarHBondContact O-CD1 3.47Å; K684-I688 VanDerWaalsContact O-CG1 3.25Å; K684-I688 WeakPolarHBondContact O-CG1 3.42Å; K684-I688 PolarHBondContact O-N 3.2Å
685L91.6Very high85.8Confident1 Ų140.4 Ų40.41%0.00521%0.208CC..Hα-helixtrans-59-46.3175.5173.160.5000111.7L621 F668 L677 T681 W682 I688 L689 A727L621-L685 HydrophobicContact CD1-CB 3.95Å; L621-L685 HydrophobicContact CD1-CD1 3.88Å; L621-L685 HydrophobicContact CD1-CG 4.41Å; L621-L685 HydrophobicContact CD2-CD1 3.91Å; L621-L685 HydrophobicContact CG-CD1 4.48Å; F668-L685 HydrophobicContact CB-CD1 4.46Å; F668-L685 HydrophobicContact CD2-CD1 4.16Å; F668-L685 HydrophobicContact CG-CD1 4.33Å; L677-L685 HydrophobicContact CD1-CD2 4.24Å; T681-L685 WeakPolarHBondContact O-CB 3.42Å; T681-L685 PolarHBondContact O-N 2.84Å; W682-L685 HydrophobicContact CE3-CD2 4.07Å; W682-L685 HydrophobicContact CZ3-CD2 4.01Å; W682-L685 PolarHBondContact O-N 2.87Å; L685-I688 PolarHBondContact O-N 2.67Å; L685-L689 HydrophobicContact CD1-CD1 3.95Å; L685-L689 HydrophobicContact CD1-CG 4.47Å; L685-L689 HydrophobicContact CG-CD1 4.18Å; L685-L689 PolarHBondContact O-N 2.94Å; L685-A727 HydrophobicContact CD2-CB 4.49Å
686L91.8Very high86.7Confident1 Ų134.7 Ų34.71%0.00518%0.178CC..Hα-helixtrans-63.5-47.7176.2-68.1175.1000110.9W682 K684 I688 L689 M690 L724 A727 L728 A731 I737 P741W682-L686 WeakPolarHBondContact O-CG 3.48Å; W682-L686 PolarHBondContact O-N 3.28Å; K684-L686 PolarHBondContact O-N 2.94Å; L686-I688 VanDerWaalsContact C-N 3.29Å; L686-I688 PolarHBondContact O-N 3.21Å; L686-L689 PolarHBondContact O-N 3.46Å; L686-M690 VanDerWaalsContact O-CG 3.29Å; L686-M690 WeakPolarHBondContact O-CG 3.15Å; L686-M690 PolarHBondContact O-N 3.48Å; L686-L724 HydrophobicContact CD2-CD1 3.94Å; L686-A727 HydrophobicContact CD2-CB 3.93Å; L686-L728 HydrophobicContact CD1-CD1 4.13Å; L686-L728 HydrophobicContact CD2-CB 4.16Å; L686-L728 HydrophobicContact CD2-CD1 4.34Å; L686-A731 HydrophobicContact CD1-CB 4.05Å; L686-I737 HydrophobicContact CD1-CD1 4.16Å; L686-P741 HydrophobicContact CD1-CB 4.03Å
687S90.4Very high87.3Confident60 Ų6032 Ų3242%0.4217%0.165SC..Hα-helixtrans-56-41.4176.8-179.40000112.5S683 K684 D691S683-S687 VanDerWaalsContact O-CB 3.27Å; S683-S687 WeakPolarHBondContact O-CB 3.43Å; S683-S687 PolarHBondContact O-N 3.36Å; K684-S687 PolarHBondContact O-N 2.93Å; S687-D691 VanDerWaalsContact O-CB 3.26Å; S687-D691 WeakPolarHBondContact O-CB 3.43Å; S687-D691 PolarHBondContact O-N 3.27Å
688I91.7Very high87.2Confident10 Ų1033 Ų335%0.05117%0.172CC..Hα-helixtrans-65.7-46.4177.4-71.2162000110.8L621 E622 A625 F668 K684 L685 L686 M690 D691 I692L621-I688 HydrophobicContact CB-CD1 3.65Å; E622-I688 HydrophobicContact CB-CD1 4.05Å; A625-I688 HydrophobicContact CB-CG2 3.69Å; F668-I688 HydrophobicContact CE2-CG2 4.03Å; F668-I688 HydrophobicContact CZ-CG2 4.33Å; K684-I688 HydrophobicContact CD-CD1 4.11Å; K684-I688 HydrophobicContact CD-CG1 4.44Å; K684-I688 HydrophobicContact CG-CD1 3.92Å; K684-I688 WeakPolarHBondContact O-CB 3.46Å; K684-I688 WeakPolarHBondContact O-CD1 3.47Å; K684-I688 VanDerWaalsContact O-CG1 3.25Å; K684-I688 WeakPolarHBondContact O-CG1 3.42Å; K684-I688 PolarHBondContact O-N 3.2Å; L685-I688 PolarHBondContact O-N 2.67Å; L686-I688 VanDerWaalsContact C-N 3.29Å; L686-I688 PolarHBondContact O-N 3.21Å; I688-M690 VanDerWaalsContact C-N 3.35Å; I688-M690 PolarHBondContact O-N 2.85Å; I688-D691 PolarHBondContact O-N 3.38Å; I688-I692 HydrophobicContact CG2-CD1 3.84Å; I688-I692 HydrophobicContact CG2-CG1 4.43Å; I688-I692 VanDerWaalsContact O-CG1 3.29Å; I688-I692 WeakPolarHBondContact O-CG1 3.46Å; I688-I692 PolarHBondContact O-N 2.86Å
689L93Very high86.6Confident0 Ų035 Ų350%018%0.18CC..Hα-helixtrans-62.5-40177.5-77.8162.8000112.3L665 F668 L685 L686 M693 L720 T723 L724 A727L665-L689 HydrophobicContact CD2-CD2 4.29Å; F668-L689 HydrophobicContact CD2-CD2 3.97Å; F668-L689 HydrophobicContact CD2-CG 4.27Å; F668-L689 HydrophobicContact CE2-CD2 4.47Å; L685-L689 HydrophobicContact CD1-CD1 3.95Å; L685-L689 HydrophobicContact CD1-CG 4.47Å; L685-L689 HydrophobicContact CG-CD1 4.18Å; L685-L689 PolarHBondContact O-N 2.94Å; L686-L689 PolarHBondContact O-N 3.46Å; L689-M693 WeakPolarHBondContact O-CG 3.4Å; L689-M693 PolarHBondContact O-N 2.92Å; L689-M693 VanDerWaalsContact O-N 3.13Å; L689-L720 HydrophobicContact CD2-CD1 4.21Å; L689-T723 HydrophobicContact CD1-CG2 4.2Å; L689-T723 HydrophobicContact CD2-CG2 3.97Å; L689-L724 HydrophobicContact CB-CB 4.48Å; L689-L724 HydrophobicContact CB-CD1 3.96Å; L689-L724 HydrophobicContact CD1-CD1 4.37Å; L689-A727 HydrophobicContact CD1-CB 4.1Å
690M92.3Very high86.1Confident3 Ų334.1 Ų34.12%0.01517%0.173CC..Hα-helixtrans-64.4-42.5173.7-66-51.4176.900112.3L686 I688 M693 R694 L724 P741 C745 I748L686-M690 VanDerWaalsContact O-CG 3.29Å; L686-M690 WeakPolarHBondContact O-CG 3.15Å; L686-M690 PolarHBondContact O-N 3.48Å; I688-M690 VanDerWaalsContact C-N 3.35Å; I688-M690 PolarHBondContact O-N 2.85Å; M690-M693 PolarHBondContact O-N 3.48Å; M690-R694 VanDerWaalsContact O-CB 3.3Å; M690-R694 WeakPolarHBondContact O-CB 3Å; M690-R694 PolarHBondContact O-N 2.84Å; M690-L724 HydrophobicContact CE-CD1 3.66Å; M690-L724 HydrophobicContact CE-CD2 3.94Å; M690-L724 HydrophobicContact CE-CG 4.32Å; M690-L724 HydrophobicContact SD-CD1 4.14Å; M690-L724 HydrophobicContact SD-CD2 3.62Å; M690-P741 WeakPolarHBondContact CE-O 3.23Å; M690-C745 HydrophobicContact CE-CB 3.38Å; M690-C745 HydrophobicContact SD-CB 4.28Å; M690-I748 HydrophobicContact CB-CD1 3.63Å; M690-I748 HydrophobicContact CG-CD1 4.07Å; M690-I748 HydrophobicContact SD-CD1 3.76Å
691D88.8Confident85.2Confident52 Ų5230 Ų3028%0.27816%0.159SC..Hα-helixtrans-68.3-40.7179.7-175.651.7000111.8Y629 S687 I688 M693 R694 K695Y629-D691 PolarHBondContact OH-OD2 2.94Å; S687-D691 VanDerWaalsContact O-CB 3.26Å; S687-D691 WeakPolarHBondContact O-CB 3.43Å; S687-D691 PolarHBondContact O-N 3.27Å; I688-D691 PolarHBondContact O-N 3.38Å; D691-M693 PolarHBondContact O-N 3.37Å; D691-R694 PolarHBondContact O-N 2.9Å; D691-K695 VanDerWaalsContact CG-NZ 3.29Å; D691-K695 WeakPolarHBondContact O-CB 3.3Å; D691-K695 WeakPolarHBondContact O-CG 3.22Å; D691-K695 PolarHBondContact O-N 2.93Å; D691-K695 WeakPolarHBondContact OD1-CD 3.48Å; D691-K695 WeakPolarHBondContact OD1-CE 3.24Å; D691-K695 IonicContact OD1-NZ 2.65Å; D691-K695 PolarHBondContact OD1-NZ 3.46Å; D691-K695 VanDerWaalsContact OD1-NZ 3.13Å; D691-K695 WeakPolarHBondContact OD2-CE 3.49Å; D691-K695 IonicContact OD2-NZ 3.11Å; D691-K695 PolarHBondContact OD2-NZ 3.36Å
692I90.1Very high83.8Confident0 Ų035 Ų350%019%0.192CC..Hα-helixtrans-55.2-51.8170.8-70.8165.9000109.8A625 F628 Y629 F668 I688 R694 T696 L720A625-I692 HydrophobicContact CB-CD1 3.94Å; A625-I692 HydrophobicContact CB-CG1 4.16Å; F628-I692 HydrophobicContact CB-CG1 4.42Å; F628-I692 HydrophobicContact CB-CG2 4.03Å; F628-I692 HydrophobicContact CD1-CG2 3.64Å; F628-I692 HydrophobicContact CD2-CD1 3.92Å; F628-I692 HydrophobicContact CD2-CG1 4.35Å; F628-I692 HydrophobicContact CD2-CG2 4.41Å; F628-I692 HydrophobicContact CE1-CG2 4.2Å; F628-I692 HydrophobicContact CE2-CD1 4.15Å; F628-I692 HydrophobicContact CG-CD1 4.33Å; F628-I692 HydrophobicContact CG-CG1 4.35Å; F628-I692 HydrophobicContact CG-CG2 3.77Å; Y629-I692 HydrophobicContact CE1-CG1 4.33Å; Y629-I692 WeakPolarHBondContact OH-CA 3.33Å; Y629-I692 PolarHBondContact OH-N 3.37Å; F668-I692 HydrophobicContact CE2-CD1 4.09Å; I688-I692 HydrophobicContact CG2-CD1 3.84Å; I688-I692 HydrophobicContact CG2-CG1 4.43Å; I688-I692 VanDerWaalsContact O-CG1 3.29Å; I688-I692 WeakPolarHBondContact O-CG1 3.46Å; I688-I692 PolarHBondContact O-N 2.86Å; I692-R694 PolarHBondContact O-N 3.01Å; I692-T696 WeakPolarHBondContact O-CB 3.39Å; I692-T696 WeakPolarHBondContact O-CG2 3.41Å; I692-T696 PolarHBondContact O-N 3.38Å; I692-T696 PolarHBondContact O-OG1 2.66Å; I692-L720 HydrophobicContact CG2-CD1 4.08Å; I692-L720 HydrophobicContact CG2-CD2 4.31Å
693M89.6Confident82.3Confident0 Ų039.8 Ų39.80%023%0.226CC..Hα-helixtrans-66.3-37.4-179.1-72.4-179.961.800112.9L689 M690 D691 M697 V698 L720 F721 L724 I748 Y749 L752L689-M693 WeakPolarHBondContact O-CG 3.4Å; L689-M693 PolarHBondContact O-N 2.92Å; L689-M693 VanDerWaalsContact O-N 3.13Å; M690-M693 PolarHBondContact O-N 3.48Å; D691-M693 PolarHBondContact O-N 3.37Å; M693-M697 WeakPolarHBondContact O-CA 3.3Å; M693-M697 WeakPolarHBondContact O-CB 3.45Å; M693-M697 PolarHBondContact O-N 3.16Å; M693-V698 PolarHBondContact O-N 3.23Å; M693-L720 HydrophobicContact CG-CD1 4.24Å; M693-L720 HydrophobicContact CG-CD2 3.71Å; M693-L720 HydrophobicContact CG-CG 3.85Å; M693-L720 HydrophobicContact SD-CG 4.18Å; M693-F721 HydrophobicContact CE-CD1 3.59Å; M693-F721 HydrophobicContact CE-CE1 3.28Å; M693-F721 HydrophobicContact CE-CZ 4.2Å; M693-L724 HydrophobicContact CE-CD2 4.36Å; M693-L724 HydrophobicContact SD-CB 4.4Å; M693-L724 HydrophobicContact SD-CD2 3.47Å; M693-L724 WeakPolarHBondContact SD-CD2 3.38Å; M693-I748 HydrophobicContact CB-CG2 4.18Å; M693-I748 HydrophobicContact CE-CG2 4.22Å; M693-Y749 HydrophobicContact CE-CD1 4.29Å; M693-Y749 HydrophobicContact CE-CE1 3.66Å; M693-Y749 HydrophobicContact SD-CE1 4.44Å; M693-L752 HydrophobicContact CB-CD1 4.46Å; M693-L752 HydrophobicContact CE-CD1 3.55Å
694R87.8Confident81.3Confident106 Ų10640.2 Ų40.240%0.423%0.225SC..Iπ-helixtrans-68.6-46177.5-169.6-179.3-62-158.93.6111.9M690 D691 I692 V698 N699 I748M690-R694 VanDerWaalsContact O-CB 3.3Å; M690-R694 WeakPolarHBondContact O-CB 3Å; M690-R694 PolarHBondContact O-N 2.84Å; D691-R694 PolarHBondContact O-N 2.9Å; I692-R694 PolarHBondContact O-N 3.01Å; R694-V698 WeakPolarHBondContact O-CB 3.5Å; R694-N699 PolarHBondContact O-ND2 3.24Å; R694-I748 HydrophobicContact CB-CD1 4.49Å
695K83.4Confident79.9Confident97 Ų9743.1 Ų43.142%0.42225%0.246SC..Iπ-helixtrans-71.9-39.8-179.5-75170.5174.6162.60112.6Y629 D691Y629-K695 HydrophobicContact CD1-CB 4.24Å; Y629-K695 HydrophobicContact CD1-CD 4.19Å; Y629-K695 HydrophobicContact CE1-CB 3.79Å; Y629-K695 HydrophobicContact CE1-CD 3.61Å; Y629-K695 HydrophobicContact CE1-CG 4.34Å; Y629-K695 HydrophobicContact CE2-CD 4.25Å; D691-K695 VanDerWaalsContact CG-NZ 3.29Å; D691-K695 WeakPolarHBondContact O-CB 3.3Å; D691-K695 WeakPolarHBondContact O-CG 3.22Å; D691-K695 PolarHBondContact O-N 2.93Å; D691-K695 WeakPolarHBondContact OD1-CD 3.48Å; D691-K695 WeakPolarHBondContact OD1-CE 3.24Å; D691-K695 IonicContact OD1-NZ 2.65Å; D691-K695 PolarHBondContact OD1-NZ 3.46Å; D691-K695 VanDerWaalsContact OD1-NZ 3.13Å; D691-K695 WeakPolarHBondContact OD2-CE 3.49Å; D691-K695 IonicContact OD2-NZ 3.11Å; D691-K695 PolarHBondContact OD2-NZ 3.36Å
696T83.3Confident78.4Confident4 Ų445.7 Ų45.73%0.02526%0.258CS..Iπ-helixtrans-91.4-51.2-17565.10000113.4F628 Y629 I692 T700 W710 L711F628-T696 HydrophobicContact CB-CG2 4.2Å; F628-T696 WeakPolarHBondContact O-CG2 3.43Å; Y629-T696 HydrophobicContact CD1-CG2 4.31Å; Y629-T696 HydrophobicContact CE1-CG2 4.39Å; I692-T696 WeakPolarHBondContact O-CB 3.39Å; I692-T696 WeakPolarHBondContact O-CG2 3.41Å; I692-T696 PolarHBondContact O-N 3.38Å; I692-T696 PolarHBondContact O-OG1 2.66Å; T696-T700 WeakPolarHBondContact O-CB 3.39Å; T696-T700 PolarHBondContact O-OG1 2.91Å; T696-W710 HydrophobicContact CG2-CH2 4Å; T696-W710 HydrophobicContact CG2-CZ2 3.91Å; T696-L711 WeakPolarHBondContact O-CD1 3.25Å
697M86.1Confident77.1Confident0 Ų047.6 Ų47.60%027%0.268CS..Iπ-helixtrans-87.7-47-170.7-58.9-168.568.900113.1M693 N699 T700 L711 T717 L720 F721 L752 W755M693-M697 WeakPolarHBondContact O-CA 3.3Å; M693-M697 WeakPolarHBondContact O-CB 3.45Å; M693-M697 PolarHBondContact O-N 3.16Å; M697-N699 VanDerWaalsContact C-N 3.31Å; M697-N699 PolarHBondContact O-N 2.89Å; M697-T700 PolarHBondContact O-N 3.13Å; M697-L711 HydrophobicContact CG-CD1 4.38Å; M697-L711 HydrophobicContact CG-CD2 4.13Å; M697-T717 HydrophobicContact CE-CG2 3.85Å; M697-L720 HydrophobicContact CG-CD2 4.43Å; M697-L720 HydrophobicContact SD-CD2 3.83Å; M697-F721 HydrophobicContact CE-CE2 3.83Å; M697-F721 HydrophobicContact CE-CZ 3.61Å; M697-F721 HydrophobicContact SD-CE2 4.33Å; M697-F721 HydrophobicContact SD-CZ 3.95Å; M697-L752 HydrophobicContact CB-CD1 3.95Å; M697-L752 HydrophobicContact CB-CD2 3.61Å; M697-L752 HydrophobicContact CB-CG 4.47Å; M697-L752 HydrophobicContact SD-CD1 4.33Å; M697-W755 HydrophobicContact CE-CB 4.45Å; M697-W755 HydrophobicContact CE-CD2 3.35Å; M697-W755 HydrophobicContact CE-CE3 3.72Å; M697-W755 HydrophobicContact CE-CG 3.68Å; M697-W755 HydrophobicContact CE-CH2 4.38Å; M697-W755 HydrophobicContact CE-CZ2 4.07Å; M697-W755 HydrophobicContact CE-CZ3 4.21Å
698V81.5Confident76Confident37 Ų3750.2 Ų50.222%0.22427%0.27CS..Iπ-helixtrans-63.9-38.6-175.9173.70000111.4M693 R694 T700 I748 Q751 L752M693-V698 PolarHBondContact O-N 3.23Å; R694-V698 WeakPolarHBondContact O-CB 3.5Å; V698-T700 VanDerWaalsContact C-N 3.29Å; V698-T700 PolarHBondContact O-N 2.85Å; V698-I748 HydrophobicContact CG2-CG2 4.45Å; V698-Q751 HydrophobicContact CG2-CB 4.5Å; V698-L752 HydrophobicContact CB-CD2 4.44Å; V698-L752 HydrophobicContact CG2-CD1 4.25Å; V698-L752 HydrophobicContact CG2-CD2 3.75Å; V698-L752 HydrophobicContact CG2-CG 3.9Å
699N70.5Confident75.3Confident104 Ų10453.7 Ų53.756%0.55628%0.284SS*.THydrogen-bonded Turntrans-859.2-179.7-60.6-29.2000114.2R694 M697 S701R694-N699 PolarHBondContact O-ND2 3.24Å; M697-N699 VanDerWaalsContact C-N 3.31Å; M697-N699 PolarHBondContact O-N 2.89Å; N699-S701 PolarHBondContact O-N 2.82Å
700T69.2Low74.6Confident15 Ų1553.9 Ų53.99%0.09229%0.285CS..  trans-93.999.6-178.9-750000111.5T696 M697 V698 N707 Y708 L711T696-T700 WeakPolarHBondContact O-CB 3.39Å; T696-T700 PolarHBondContact O-OG1 2.91Å; M697-T700 PolarHBondContact O-N 3.13Å; V698-T700 VanDerWaalsContact C-N 3.29Å; V698-T700 PolarHBondContact O-N 2.85Å; T700-N707 HydrophobicContact CG2-CB 4.37Å; T700-N707 VanDerWaalsContact OG1-CB 3.26Å; T700-N707 WeakPolarHBondContact OG1-CB 3.45Å; T700-Y708 HydrophobicContact CG2-CD2 3.88Å; T700-Y708 HydrophobicContact CG2-CG 4.44Å; T700-L711 HydrophobicContact CG2-CD1 4.34Å
701S61.7Low74.2Confident47 Ų4753.8 Ų53.833%0.32928%0.284SS..  trans-83157.3162.2620000111.1N699 S703 N704N699-S701 PolarHBondContact O-N 2.82Å; S701-S703 WeakPolarHBondContact CB-OG 3.39Å; S701-S703 PolarHBondContact O-N 3.2Å; S701-S703 PolarHBondContact OG-OG 3.14Å; S701-N704 PolarHBondContact O-N 2.75Å; S701-N704 PolarHBondContact OG-N 2.82Å
702P58.2Low73.5Confident107 Ų10754.3 Ų54.370%0.69529%0.293SS*.THydrogen-bonded Turntrans-60.3-22.6169.6-24.835.3000113.9N704P702-N704 VanDerWaalsContact C-N 3.35Å
703S55Low73.1Confident106 Ų10656.6 Ų56.674%0.74130%0.304SS*.THydrogen-bonded Turntrans-72.8-24.5172.351.90000113.2S701 V705S701-S703 WeakPolarHBondContact CB-OG 3.39Å; S701-S703 PolarHBondContact O-N 3.2Å; S701-S703 PolarHBondContact OG-OG 3.14Å; S703-V705 PolarHBondContact O-N 2.78Å
704N63.8Low72.7Confident54 Ų5461.7 Ų61.729%0.28933%0.332SS..  trans-81.771.5167.2-172.4-12.9000109.7S701 P702 Q706 N707 Y708S701-N704 PolarHBondContact O-N 2.75Å; S701-N704 PolarHBondContact OG-N 2.82Å; P702-N704 VanDerWaalsContact C-N 3.35Å; N704-Q706 PolarHBondContact O-N 2.91Å; N704-N707 PolarHBondContact ND2-ND2 3.35Å; N704-N707 PolarHBondContact O-N 3.11Å; N704-N707 PolarHBondContact OD1-N 2.85Å; N704-Y708 WeakPolarHBondContact O-CB 3.41Å; N704-Y708 PolarHBondContact O-N 2.99Å; N704-Y708 VanDerWaalsContact O-N 3.08Å
705V57.7Low72.6Confident102 Ų10263 Ų6362%0.61834%0.34SS*.Hα-helixtrans-50.9-33.9-179.8-178.60000111.6S703 K709S703-V705 PolarHBondContact O-N 2.78Å; V705-K709 VanDerWaalsContact O-CB 3.26Å; V705-K709 WeakPolarHBondContact O-CB 3.24Å; V705-K709 PolarHBondContact O-N 2.77Å
706Q61.3Low72.8Confident55 Ų5558.5 Ų58.526%0.25732%0.321SS..Hα-helixtrans-67.3-54.6-176.4-173.8171.314.700113.1S631 S632 L633 N704S631-Q706 PolarHBondContact OG-NE2 3.06Å; S632-Q706 VanDerWaalsContact N-NE2 3.11Å; S632-Q706 WeakPolarHBondContact OG-CG 3.25Å; S632-Q706 PolarHBondContact OG-NE2 2.62Å; L633-Q706 HydrophobicContact CD1-CB 4.29Å; L633-Q706 HydrophobicContact CD1-CG 4.03Å; L633-Q706 VanDerWaalsContact N-NE2 3.17Å; N704-Q706 PolarHBondContact O-N 2.91Å
707N63.9Low73Confident41 Ų4158.3 Ų58.322%0.21932%0.32CS..Hα-helixtrans-68.8-39.6178.3-76.7-6.5000111.4T700 N704 K709 W710 L711T700-N707 HydrophobicContact CG2-CB 4.37Å; T700-N707 VanDerWaalsContact OG1-CB 3.26Å; T700-N707 WeakPolarHBondContact OG1-CB 3.45Å; N704-N707 PolarHBondContact ND2-ND2 3.35Å; N704-N707 PolarHBondContact O-N 3.11Å; N704-N707 PolarHBondContact OD1-N 2.85Å; N707-K709 VanDerWaalsContact C-N 3.28Å; N707-K709 PolarHBondContact O-N 2.98Å; N707-W710 PolarHBondContact O-N 3.27Å; N707-L711 WeakPolarHBondContact O-CB 3.38Å; N707-L711 WeakPolarHBondContact O-CG 3.33Å; N707-L711 PolarHBondContact O-N 2.93Å
708Y67.5Low73.2Confident115 Ų11560.8 Ų60.845%0.45133%0.332SS..Hα-helixtrans-60.1-38179.6-168.5-99.2000112.3T700 N704 W710 S712T700-Y708 HydrophobicContact CG2-CD2 3.88Å; T700-Y708 HydrophobicContact CG2-CG 4.44Å; N704-Y708 WeakPolarHBondContact O-CB 3.41Å; N704-Y708 PolarHBondContact O-N 2.99Å; N704-Y708 VanDerWaalsContact O-N 3.08Å; Y708-W710 PolarHBondContact O-N 3.49Å; Y708-S712 WeakPolarHBondContact O-CB 3.21Å; Y708-S712 PolarHBondContact O-N 2.88Å
709K75.9Confident73.6Confident83 Ų8360.3 Ų60.336%0.36133%0.328SS..Hα-helixtrans-58.3-45.1-177.4-169.2-178.3-177.7-167.90113.2D652 T654 V705 N707 S712D652-K709 IonicContact OD1-NZ 3.33Å; D652-K709 PolarHBondContact OD1-NZ 3.4Å; D652-K709 WeakPolarHBondContact OD2-CE 3.44Å; D652-K709 IonicContact OD2-NZ 2.79Å; D652-K709 PolarHBondContact OD2-NZ 3.41Å; T654-K709 HydrophobicContact CG2-CG 4.44Å; V705-K709 VanDerWaalsContact O-CB 3.26Å; V705-K709 WeakPolarHBondContact O-CB 3.24Å; V705-K709 PolarHBondContact O-N 2.77Å; N707-K709 VanDerWaalsContact C-N 3.28Å; N707-K709 PolarHBondContact O-N 2.98Å; K709-S712 PolarHBondContact O-OG 3.12Å
710W79.9Confident74.6Confident3 Ų355.5 Ų55.51%0.01130%0.302CS..Hα-helixtrans-85-34.9-178.671.3-96.2000112.9F628 T654 I658 T696 N707 Y708 S712 N713 L716F628-W710 HydrophobicContact CD1-CH2 4.09Å; F628-W710 HydrophobicContact CD1-CZ3 4.41Å; T654-W710 HydrophobicContact CG2-CB 3.82Å; I658-W710 HydrophobicContact CD1-CB 4.35Å; I658-W710 HydrophobicContact CG1-CB 4.15Å; T696-W710 HydrophobicContact CG2-CH2 4Å; T696-W710 HydrophobicContact CG2-CZ2 3.91Å; N707-W710 PolarHBondContact O-N 3.27Å; Y708-W710 PolarHBondContact O-N 3.49Å; W710-S712 PolarHBondContact O-N 2.65Å; W710-N713 WeakPolarHBondContact O-CB 3.42Å; W710-N713 PolarHBondContact O-N 3.42Å; W710-L716 HydrophobicContact CE3-CD2 3.65Å; W710-L716 HydrophobicContact CZ3-CD2 3.76Å
711L82.2Confident75.8Confident1 Ų154.8 Ų54.81%0.00530%0.298CS..Hα-helixtrans-68.2-20173.8-71.7170.8000113.6T696 M697 T700 N707 N713 T717 W755T696-L711 WeakPolarHBondContact O-CD1 3.25Å; M697-L711 HydrophobicContact CG-CD1 4.38Å; M697-L711 HydrophobicContact CG-CD2 4.13Å; T700-L711 HydrophobicContact CG2-CD1 4.34Å; N707-L711 WeakPolarHBondContact O-CB 3.38Å; N707-L711 WeakPolarHBondContact O-CG 3.33Å; N707-L711 PolarHBondContact O-N 2.93Å; L711-N713 PolarHBondContact O-N 3.02Å; L711-T717 HydrophobicContact CD2-CG2 4.17Å; L711-T717 VanDerWaalsContact O-CG2 3.28Å; L711-T717 WeakPolarHBondContact O-CG2 3.49Å; L711-W755 HydrophobicContact CB-CH2 3.86Å; L711-W755 HydrophobicContact CB-CZ3 4.41Å
712S74.8Confident77.2Confident64 Ų6453.4 Ų53.445%0.44829%0.286SS..THydrogen-bonded Turntrans-57.7-14.217176.40000113.9Y708 K709 W710 N714Y708-S712 WeakPolarHBondContact O-CB 3.21Å; Y708-S712 PolarHBondContact O-N 2.88Å; K709-S712 PolarHBondContact O-OG 3.12Å; W710-S712 PolarHBondContact O-N 2.65Å; S712-N714 PolarHBondContact O-N 3.43Å
713N82.1Confident78.9Confident47 Ų4748.5 Ų48.525%0.25125%0.254SS..  trans-7391.8173.7-162.4-86000111.3I658 R662 W710 L711 K715 L716 T717I658-N713 HydrophobicContact CD1-CB 4.05Å; R662-N713 PolarHBondContact NH2-ND2 3.22Å; R662-N713 PolarHBondContact NH2-OD1 2.92Å; W710-N713 WeakPolarHBondContact O-CB 3.42Å; W710-N713 PolarHBondContact O-N 3.42Å; L711-N713 PolarHBondContact O-N 3.02Å; N713-K715 PolarHBondContact O-N 3.02Å; N713-L716 HydrophobicContact CB-CB 4.11Å; N713-L716 WeakPolarHBondContact O-CB 3.48Å; N713-L716 PolarHBondContact O-N 3.12Å; N713-L716 PolarHBondContact OD1-N 3.42Å; N713-T717 PolarHBondContact O-N 3.18Å
714N81.4Confident80.8Confident108 Ų10843.5 Ų43.558%0.57822%0.219SC*.Hα-helixtrans-46.7-35178.9-71.2-16.7000114.3S712 T717 Q718 S757S712-N714 PolarHBondContact O-N 3.43Å; N714-T717 PolarHBondContact O-OG1 3.34Å; N714-T717 VanDerWaalsContact O-OG1 3.14Å; N714-Q718 WeakPolarHBondContact O-CB 3.4Å; N714-Q718 PolarHBondContact O-N 3.35Å; N714-S757 PolarHBondContact O-OG 3.25Å
715K84.4Confident82.1Confident132 Ų13241 Ų4157%0.57421%0.205SC*.Hα-helixtrans-72.9-30.2178.4-168.3167.8-175.9174.90113N713 N719N713-K715 PolarHBondContact O-N 3.02Å; K715-N719 WeakPolarHBondContact O-CB 3.48Å; K715-N719 PolarHBondContact O-N 3.13Å; K715-N719 PolarHBondContact O-OD1 2.98Å; K715-N719 VanDerWaalsContact O-OD1 3.09Å
716L88.4Confident83.7Confident3 Ų337.4 Ų37.42%0.01619%0.19CC..Hα-helixtrans-74.2-44.7174177.557.2000111.6I658 C661 R662 L665 W710 N713 Q718 N719 L720I658-L716 HydrophobicContact CB-CD2 4.29Å; I658-L716 HydrophobicContact CG1-CD2 4.02Å; I658-L716 HydrophobicContact CG2-CD2 4.23Å; C661-L716 HydrophobicContact CB-CD1 3.78Å; C661-L716 HydrophobicContact CB-CD2 4.13Å; R662-L716 HydrophobicContact CG-CD1 4.15Å; L665-L716 HydrophobicContact CD1-CD1 3.84Å; W710-L716 HydrophobicContact CE3-CD2 3.65Å; W710-L716 HydrophobicContact CZ3-CD2 3.76Å; N713-L716 HydrophobicContact CB-CB 4.11Å; N713-L716 WeakPolarHBondContact O-CB 3.48Å; N713-L716 PolarHBondContact O-N 3.12Å; N713-L716 PolarHBondContact OD1-N 3.42Å; L716-Q718 VanDerWaalsContact C-N 3.34Å; L716-Q718 PolarHBondContact O-N 3.02Å; L716-N719 PolarHBondContact O-N 3.18Å; L716-L720 PolarHBondContact O-N 3.4Å
717T88.4Confident85.1Confident1 Ų134.9 Ų34.91%0.00618%0.178CC..Hα-helixtrans-64.2-40.717551.90000111.3M697 L711 N713 N714 N719 L720 F721 W755 S757M697-T717 HydrophobicContact CE-CG2 3.85Å; L711-T717 HydrophobicContact CD2-CG2 4.17Å; L711-T717 VanDerWaalsContact O-CG2 3.28Å; L711-T717 WeakPolarHBondContact O-CG2 3.49Å; N713-T717 PolarHBondContact O-N 3.18Å; N714-T717 PolarHBondContact O-OG1 3.34Å; N714-T717 VanDerWaalsContact O-OG1 3.14Å; T717-N719 PolarHBondContact O-N 3.36Å; T717-L720 PolarHBondContact O-N 3.07Å; T717-L720 VanDerWaalsContact O-N 3.16Å; T717-F721 WeakPolarHBondContact O-CD2 3.3Å; T717-F721 PolarHBondContact O-N 3.43Å; T717-W755 HydrophobicContact CG2-CE3 4.14Å; T717-W755 HydrophobicContact CG2-CZ3 3.94Å; T717-S757 PolarHBondContact OG1-OG 2.87Å
718Q88.7Confident86.4Confident52 Ų5232.9 Ų32.924%0.24317%0.167CC..Hα-helixtrans-55.7-49.3170.5-180166.146.200112.4N714 L716 L720 F721 Q722 E761N714-Q718 WeakPolarHBondContact O-CB 3.4Å; N714-Q718 PolarHBondContact O-N 3.35Å; L716-Q718 VanDerWaalsContact C-N 3.34Å; L716-Q718 PolarHBondContact O-N 3.02Å; Q718-L720 VanDerWaalsContact C-N 3.28Å; Q718-L720 PolarHBondContact O-N 3.28Å; Q718-F721 PolarHBondContact O-N 3.11Å; Q718-Q722 VanDerWaalsContact O-CB 3.28Å; Q718-Q722 WeakPolarHBondContact O-CB 3.42Å; Q718-Q722 PolarHBondContact O-N 3.27Å; Q718-E761 HydrophobicContact CG-CG 4.05Å; Q718-E761 VanDerWaalsContact CG-OE1 3.3Å; Q718-E761 WeakPolarHBondContact CG-OE1 3.5Å; Q718-E761 PolarHBondContact NE2-OE1 3.16Å
719N89.9Confident87.4Confident26 Ų2627.6 Ų27.614%0.13915%0.147CC..Hα-helixtrans-59.4-37.5176.1-78.217000112.2L665 K715 L716 T717 T723L665-N719 HydrophobicContact CD1-CB 3.9Å; K715-N719 WeakPolarHBondContact O-CB 3.48Å; K715-N719 PolarHBondContact O-N 3.13Å; K715-N719 PolarHBondContact O-OD1 2.98Å; K715-N719 VanDerWaalsContact O-OD1 3.09Å; L716-N719 PolarHBondContact O-N 3.18Å; T717-N719 PolarHBondContact O-N 3.36Å; N719-T723 WeakPolarHBondContact O-CB 3.48Å; N719-T723 PolarHBondContact O-N 2.93Å; N719-T723 PolarHBondContact O-OG1 3.48Å
720L91.9Very high87.9Confident4 Ų424.8 Ų24.82%0.02113%0.134CC..Hα-helixtrans-66.8-50-180-175.760000111.5L665 L689 I692 M693 M697 L716 T717 Q718 Q722 T723 L724L665-L720 HydrophobicContact CD1-CB 4.18Å; L665-L720 HydrophobicContact CD1-CD1 4.46Å; L665-L720 HydrophobicContact CD2-CD1 3.78Å; L689-L720 HydrophobicContact CD2-CD1 4.21Å; I692-L720 HydrophobicContact CG2-CD1 4.08Å; I692-L720 HydrophobicContact CG2-CD2 4.31Å; M693-L720 HydrophobicContact CG-CD1 4.24Å; M693-L720 HydrophobicContact CG-CD2 3.71Å; M693-L720 HydrophobicContact CG-CG 3.85Å; M693-L720 HydrophobicContact SD-CG 4.18Å; M697-L720 HydrophobicContact CG-CD2 4.43Å; M697-L720 HydrophobicContact SD-CD2 3.83Å; L716-L720 PolarHBondContact O-N 3.4Å; T717-L720 PolarHBondContact O-N 3.07Å; T717-L720 VanDerWaalsContact O-N 3.16Å; Q718-L720 VanDerWaalsContact C-N 3.28Å; Q718-L720 PolarHBondContact O-N 3.28Å; L720-Q722 PolarHBondContact O-N 3.47Å; L720-T723 PolarHBondContact O-N 3.3Å; L720-L724 PolarHBondContact O-N 3.42Å; L720-L724 VanDerWaalsContact O-N 3.09Å
721F93.9Very high88.3Confident0 Ų024.6 Ų24.60%013%0.133CC..Hα-helixtrans-60.3-43.9173.5-67.4-65.8000111.8M693 M697 T717 Q718 T723 L724 N725 Y749 L752 W755 L758 E761M693-F721 HydrophobicContact CE-CD1 3.59Å; M693-F721 HydrophobicContact CE-CE1 3.28Å; M693-F721 HydrophobicContact CE-CZ 4.2Å; M697-F721 HydrophobicContact CE-CE2 3.83Å; M697-F721 HydrophobicContact CE-CZ 3.61Å; M697-F721 HydrophobicContact SD-CE2 4.33Å; M697-F721 HydrophobicContact SD-CZ 3.95Å; T717-F721 WeakPolarHBondContact O-CD2 3.3Å; T717-F721 PolarHBondContact O-N 3.43Å; Q718-F721 PolarHBondContact O-N 3.11Å; F721-T723 VanDerWaalsContact C-N 3.34Å; F721-T723 PolarHBondContact O-N 3.24Å; F721-L724 PolarHBondContact O-N 3.4Å; F721-N725 VanDerWaalsContact O-CB 3.29Å; F721-N725 WeakPolarHBondContact O-CB 3.34Å; F721-N725 PolarHBondContact O-N 2.84Å; F721-N725 PolarHBondContact O-ND2 3.24Å; F721-N725 VanDerWaalsContact O-ND2 3.1Å; F721-Y749 HydrophobicContact CD1-CE1 4.37Å; F721-L752 HydrophobicContact CE1-CD1 4.32Å; F721-L752 HydrophobicContact CZ-CD1 4.49Å; F721-W755 HydrophobicContact CE2-CB 4.33Å; F721-W755 HydrophobicContact CZ-CB 4.22Å; F721-L758 HydrophobicContact CD1-CB 4.14Å; F721-L758 HydrophobicContact CD1-CD1 3.67Å; F721-L758 HydrophobicContact CD1-CG 4.43Å; F721-L758 HydrophobicContact CD2-CB 4.31Å; F721-L758 HydrophobicContact CE1-CB 3.72Å; F721-L758 HydrophobicContact CE1-CD1 3.73Å; F721-L758 HydrophobicContact CE1-CD2 4.27Å; F721-L758 HydrophobicContact CE1-CG 4.09Å; F721-L758 HydrophobicContact CE2-CB 3.94Å; F721-L758 HydrophobicContact CG-CB 4.44Å; F721-L758 HydrophobicContact CG-CD1 4.42Å; F721-L758 HydrophobicContact CZ-CB 3.64Å; F721-L758 HydrophobicContact CZ-CG 4.47Å; F721-E761 HydrophobicContact CB-CB 4.04Å; F721-E761 HydrophobicContact CB-CG 3.98Å
722Q92.3Very high88.3Confident18 Ų1824.7 Ų24.78%0.08413%0.134CC..Hα-helixtrans-60.1-42.7177.4-172.8-170.5-24.200111.8Q718 L720 G726 E761 Y819Q718-Q722 VanDerWaalsContact O-CB 3.28Å; Q718-Q722 WeakPolarHBondContact O-CB 3.42Å; Q718-Q722 PolarHBondContact O-N 3.27Å; L720-Q722 PolarHBondContact O-N 3.47Å; Q722-G726 PolarHBondContact O-N 3.07Å; Q722-E761 HydrophobicContact CB-CG 4.4Å; Q722-Y819 HydrophobicContact CG-CD1 3.74Å; Q722-Y819 HydrophobicContact CG-CE1 3.91Å
723T93.7Very high88.8Confident4 Ų421.8 Ų21.83%0.02511%0.113CC..Hα-helixtrans-64-48.2179.8-550000111.2L665 F668 Q669 L689 N719 L720 F721 G726 A727L665-T723 HydrophobicContact CD2-CG2 4.03Å; F668-T723 HydrophobicContact CB-CG2 3.92Å; Q669-T723 HydrophobicContact CG-CG2 3.86Å; Q669-T723 PolarHBondContact NE2-OG1 3.29Å; L689-T723 HydrophobicContact CD1-CG2 4.2Å; L689-T723 HydrophobicContact CD2-CG2 3.97Å; N719-T723 WeakPolarHBondContact O-CB 3.48Å; N719-T723 PolarHBondContact O-N 2.93Å; N719-T723 PolarHBondContact O-OG1 3.48Å; L720-T723 PolarHBondContact O-N 3.3Å; F721-T723 VanDerWaalsContact C-N 3.34Å; F721-T723 PolarHBondContact O-N 3.24Å; T723-G726 PolarHBondContact O-N 3.04Å; T723-A727 VanDerWaalsContact O-CB 3.3Å; T723-A727 WeakPolarHBondContact O-CB 3.36Å; T723-A727 PolarHBondContact O-N 3Å
724L94Very high88.8Confident0 Ų022.1 Ų22.10%011%0.113CC..Hα-helixtrans-65.5-43.1178.1175.258.7000112.2L686 L689 M690 M693 L720 F721 G726 A727 L728 Y749L686-L724 HydrophobicContact CD2-CD1 3.94Å; L689-L724 HydrophobicContact CB-CB 4.48Å; L689-L724 HydrophobicContact CB-CD1 3.96Å; L689-L724 HydrophobicContact CD1-CD1 4.37Å; M690-L724 HydrophobicContact CE-CD1 3.66Å; M690-L724 HydrophobicContact CE-CD2 3.94Å; M690-L724 HydrophobicContact CE-CG 4.32Å; M690-L724 HydrophobicContact SD-CD1 4.14Å; M690-L724 HydrophobicContact SD-CD2 3.62Å; M693-L724 HydrophobicContact CE-CD2 4.36Å; M693-L724 HydrophobicContact SD-CB 4.4Å; M693-L724 HydrophobicContact SD-CD2 3.47Å; M693-L724 WeakPolarHBondContact SD-CD2 3.38Å; L720-L724 PolarHBondContact O-N 3.42Å; L720-L724 VanDerWaalsContact O-N 3.09Å; F721-L724 PolarHBondContact O-N 3.4Å; L724-G726 PolarHBondContact O-N 3.44Å; L724-A727 PolarHBondContact O-N 3.21Å; L724-L728 VanDerWaalsContact O-CB 3.3Å; L724-L728 WeakPolarHBondContact O-CB 3.33Å; L724-L728 PolarHBondContact O-N 3.34Å; L724-Y749 HydrophobicContact CD2-CE1 3.7Å
725N92.8Very high88.7Confident1 Ų117.5 Ų17.51%0.0059%0.089CC..Hα-helixtrans-62.3-44177.9-74.9-31.5000112.2F721 L729 Y749 V765 F1125F721-N725 VanDerWaalsContact O-CB 3.29Å; F721-N725 WeakPolarHBondContact O-CB 3.34Å; F721-N725 PolarHBondContact O-N 2.84Å; F721-N725 PolarHBondContact O-ND2 3.24Å; F721-N725 VanDerWaalsContact O-ND2 3.1Å; N725-L729 WeakPolarHBondContact O-CB 3.37Å; N725-L729 WeakPolarHBondContact O-CG 3.38Å; N725-L729 PolarHBondContact O-N 3.09Å; N725-L729 VanDerWaalsContact O-N 3.11Å; N725-Y749 PolarHBondContact OD1-OH 2.94Å; N725-Y749 VanDerWaalsContact OD1-OH 3.07Å; N725-V765 HydrophobicContact CB-CG2 3.72Å; N725-F1125 HydrophobicContact CB-CZ 4.39Å; N725-F1125 VanDerWaalsContact OD1-CE1 3.28Å; N725-F1125 WeakPolarHBondContact OD1-CE1 3.4Å
726G90.6Very high88.1Confident28 Ų2815.9 Ų15.929%0.2899%0.09SC..Hα-helixtrans-63.7-42.9175.900000112.6Q722 T723 L724 R730Q722-G726 PolarHBondContact O-N 3.07Å; T723-G726 PolarHBondContact O-N 3.04Å; L724-G726 PolarHBondContact O-N 3.44Å; G726-R730 PolarHBondContact O-N 3.05Å
727A91.1Very high87.4Confident1 Ų117 Ų171%0.00810%0.096CC..Hα-helixtrans-62.6-54.7175.100000111.5S672 W682 L685 L686 L689 T723 L724 L729 R730 A731S672-A727 WeakPolarHBondContact OG-CA 3.39Å; W682-A727 HydrophobicContact CZ3-CB 4.41Å; L685-A727 HydrophobicContact CD2-CB 4.49Å; L686-A727 HydrophobicContact CD2-CB 3.93Å; L689-A727 HydrophobicContact CD1-CB 4.1Å; T723-A727 VanDerWaalsContact O-CB 3.3Å; T723-A727 WeakPolarHBondContact O-CB 3.36Å; T723-A727 PolarHBondContact O-N 3Å; L724-A727 PolarHBondContact O-N 3.21Å; A727-L729 VanDerWaalsContact C-N 3.26Å; A727-L729 PolarHBondContact O-N 3.39Å; A727-R730 PolarHBondContact O-N 2.8Å; A727-A731 WeakPolarHBondContact O-CB 3.32Å; A727-A731 PolarHBondContact O-N 2.77Å
728L90.8Very high86.8Confident0 Ų020 Ų200%012%0.117CC..Hα-helixtrans-57.6-38.2-177.6-175.162.6000112.2L686 L724 S732 W742 C745 F1125 I1128L686-L728 HydrophobicContact CD1-CD1 4.13Å; L686-L728 HydrophobicContact CD2-CB 4.16Å; L686-L728 HydrophobicContact CD2-CD1 4.34Å; L724-L728 VanDerWaalsContact O-CB 3.3Å; L724-L728 WeakPolarHBondContact O-CB 3.33Å; L724-L728 PolarHBondContact O-N 3.34Å; L728-S732 WeakPolarHBondContact O-CB 3.49Å; L728-S732 PolarHBondContact O-N 2.8Å; L728-S732 VanDerWaalsContact O-N 3.12Å; L728-S732 PolarHBondContact O-OG 3.3Å; L728-W742 HydrophobicContact CD1-CD2 4.12Å; L728-W742 HydrophobicContact CD1-CG 4.3Å; L728-W742 HydrophobicContact CD1-CZ2 4.45Å; L728-W742 HydrophobicContact CD2-CD2 4.03Å; L728-W742 HydrophobicContact CD2-CE3 3.82Å; L728-W742 HydrophobicContact CD2-CH2 4.26Å; L728-W742 HydrophobicContact CD2-CZ2 4.42Å; L728-W742 HydrophobicContact CD2-CZ3 3.92Å; L728-W742 HydrophobicContact CG-CD2 4.2Å; L728-W742 HydrophobicContact CG-CE3 4.39Å; L728-W742 HydrophobicContact CG-CH2 4.27Å; L728-W742 HydrophobicContact CG-CZ2 4.03Å; L728-W742 HydrophobicContact CG-CZ3 4.41Å; L728-C745 HydrophobicContact CD2-CB 4.14Å; L728-F1125 HydrophobicContact CD2-CE2 4.48Å; L728-F1125 HydrophobicContact CD2-CZ 4.21Å; L728-I1128 HydrophobicContact CD2-CD1 4.15Å
729L88.3Confident86.2Confident4 Ų420.8 Ų20.82%0.02113%0.128CC..Hα-helixtrans-67.4-54.6173.5-75.8172.5000112.9N725 A727 A731 S732 L733 V765 M768 L769 C1121 F1125N725-L729 WeakPolarHBondContact O-CB 3.37Å; N725-L729 WeakPolarHBondContact O-CG 3.38Å; N725-L729 PolarHBondContact O-N 3.09Å; N725-L729 VanDerWaalsContact O-N 3.11Å; A727-L729 VanDerWaalsContact C-N 3.26Å; A727-L729 PolarHBondContact O-N 3.39Å; L729-A731 VanDerWaalsContact C-N 3.33Å; L729-A731 PolarHBondContact O-N 2.93Å; L729-S732 PolarHBondContact O-N 3Å; L729-L733 WeakPolarHBondContact O-CD1 3.47Å; L729-L733 VanDerWaalsContact O-CG 3.25Å; L729-L733 WeakPolarHBondContact O-CG 3.2Å; L729-L733 PolarHBondContact O-N 3.06Å; L729-L733 VanDerWaalsContact O-N 3.1Å; L729-V765 HydrophobicContact CD1-CG1 3.96Å; L729-M768 HydrophobicContact CD1-CE 3.55Å; L729-L769 HydrophobicContact CD2-CD1 4.41Å; L729-L769 HydrophobicContact CD2-CD2 4.14Å; L729-C1121 HydrophobicContact CD2-CB 4.04Å; L729-F1125 HydrophobicContact CD1-CE2 4.24Å; L729-F1125 HydrophobicContact CD2-CD2 3.79Å; L729-F1125 HydrophobicContact CD2-CE2 3.46Å; L729-F1125 VanDerWaalsContact CD2-CE2 3.46Å; L729-F1125 HydrophobicContact CD2-CZ 4.49Å; L729-F1125 HydrophobicContact CG-CD2 4.34Å; L729-F1125 HydrophobicContact CG-CE2 3.59Å; L729-F1125 HydrophobicContact CG-CZ 4.18Å
730R86Confident85.8Confident23 Ų2324.7 Ų24.79%0.08715%0.145CC..Hα-helixtrans-60.9-44.2-179.5-79.5-171.6173.7-118.39.7111.6S672 N673 W682 G726 A727 S732 L733 F734 L817S672-R730 WeakPolarHBondContact O-CD 3.36Å; N673-R730 PolarHBondContact O-NH1 3.21Å; N673-R730 VanDerWaalsContact O-NH1 3.14Å; N673-R730 PolarHBondContact OD1-NE 2.89Å; N673-R730 PolarHBondContact OD1-NH2 2.62Å; W682-R730 HydrophobicContact CH2-CB 3.69Å; W682-R730 HydrophobicContact CZ2-CB 4.29Å; W682-R730 HydrophobicContact CZ3-CB 4.47Å; G726-R730 PolarHBondContact O-N 3.05Å; A727-R730 PolarHBondContact O-N 2.8Å; R730-S732 VanDerWaalsContact C-N 3.28Å; R730-S732 PolarHBondContact O-N 3.32Å; R730-L733 PolarHBondContact O-N 3.12Å; R730-F734 HydrophobicContact CB-CD2 4.22Å; R730-F734 HydrophobicContact CG-CE2 4.37Å; R730-F734 VanDerWaalsContact O-CD2 3.24Å; R730-F734 WeakPolarHBondContact O-CD2 3.4Å; R730-F734 PolarHBondContact O-N 3.37Å; R730-L817 HydrophobicContact CG-CD1 4.37Å
731A87.9Confident85.4Confident0 Ų025 Ų250%015%0.148CC..Hα-helixtrans-57.2-43176.800000111.2W682 L686 A727 L729 L733 S735 I737W682-A731 HydrophobicContact CB-CB 4.4Å; W682-A731 HydrophobicContact CD2-CB 3.66Å; W682-A731 HydrophobicContact CE3-CB 3.35Å; W682-A731 HydrophobicContact CG-CB 4.16Å; W682-A731 HydrophobicContact CH2-CB 4.38Å; W682-A731 HydrophobicContact CZ3-CB 3.75Å; L686-A731 HydrophobicContact CD1-CB 4.05Å; A727-A731 WeakPolarHBondContact O-CB 3.32Å; A727-A731 PolarHBondContact O-N 2.77Å; L729-A731 VanDerWaalsContact C-N 3.33Å; L729-A731 PolarHBondContact O-N 2.93Å; A731-L733 VanDerWaalsContact C-N 3.29Å; A731-L733 PolarHBondContact O-N 2.88Å; A731-S735 WeakPolarHBondContact O-CA 3.34Å; A731-S735 WeakPolarHBondContact O-CB 3.32Å; A731-S735 PolarHBondContact O-N 3.07Å; A731-S735 VanDerWaalsContact O-O 3.13Å; A731-I737 HydrophobicContact CB-CD1 3.33Å
732S83.9Confident85Confident3 Ų325.7 Ų25.72%0.02115%0.15CC..Hα-helixtrans-71.1-15.7176.3-62.90000115L728 L729 R730 W742 L1105L728-S732 WeakPolarHBondContact O-CB 3.49Å; L728-S732 PolarHBondContact O-N 2.8Å; L728-S732 VanDerWaalsContact O-N 3.12Å; L728-S732 PolarHBondContact O-OG 3.3Å; L729-S732 PolarHBondContact O-N 3Å; R730-S732 VanDerWaalsContact C-N 3.28Å; R730-S732 PolarHBondContact O-N 3.32Å; S732-W742 VanDerWaalsContact OG-CZ2 3.32Å; S732-W742 WeakPolarHBondContact OG-CZ2 3.4Å; S732-W742 PolarHBondContact OG-NE1 2.99Å; S732-L1105 WeakPolarHBondContact O-CG 3.3Å
733L84.4Confident84.7Confident3 Ų328.9 Ų28.92%0.01617%0.168CC..Hα-helixtrans-100.2-27.8179.2-67.8164.8000112.7L729 R730 A731 G1112 W1113L729-L733 WeakPolarHBondContact O-CD1 3.47Å; L729-L733 VanDerWaalsContact O-CG 3.25Å; L729-L733 WeakPolarHBondContact O-CG 3.2Å; L729-L733 PolarHBondContact O-N 3.06Å; L729-L733 VanDerWaalsContact O-N 3.1Å; R730-L733 PolarHBondContact O-N 3.12Å; A731-L733 VanDerWaalsContact C-N 3.29Å; A731-L733 PolarHBondContact O-N 2.88Å; L733-G1112 WeakPolarHBondContact CD2-O 3.28Å; L733-G1112 PolarHBondContact O-N 2.89Å; L733-W1113 HydrophobicContact CD1-CD2 3.77Å; L733-W1113 HydrophobicContact CD1-CE3 3.88Å; L733-W1113 HydrophobicContact CD1-CH2 3.71Å; L733-W1113 HydrophobicContact CD1-CZ2 3.57Å; L733-W1113 HydrophobicContact CD1-CZ3 3.85Å; L733-W1113 HydrophobicContact CD2-CD2 4Å; L733-W1113 HydrophobicContact CD2-CE3 3.56Å; L733-W1113 HydrophobicContact CD2-CZ3 3.89Å; L733-W1113 HydrophobicContact CG-CE3 4.38Å; L733-W1113 HydrophobicContact CG-CZ3 4.44Å
734F82Confident84.4Confident54 Ų5431.1 Ų31.124%0.23718%0.178CC..Hα-helixtrans-118.81.4-171.9-59.3-64.4000114R730 T813 L817R730-F734 HydrophobicContact CB-CD2 4.22Å; R730-F734 HydrophobicContact CG-CE2 4.37Å; R730-F734 VanDerWaalsContact O-CD2 3.24Å; R730-F734 WeakPolarHBondContact O-CD2 3.4Å; R730-F734 PolarHBondContact O-N 3.37Å; F734-T813 HydrophobicContact CZ-CG2 4.23Å; F734-L817 HydrophobicContact CE2-CD1 4.07Å; F734-L817 HydrophobicContact CZ-CD1 4.34Å
735S79.4Confident84.2Confident11 Ų1131.1 Ų31.18%0.07718%0.178CC..SBendtrans-149.6149.1-178-143.30000114.3S679 A731 I737 I1104S679-S735 WeakPolarHBondContact CA-OG 3.27Å; S679-S735 VanDerWaalsContact CB-OG 3.25Å; S679-S735 WeakPolarHBondContact CB-OG 3.2Å; S679-S735 PolarHBondContact OG-OG 3.33Å; A731-S735 WeakPolarHBondContact O-CA 3.34Å; A731-S735 WeakPolarHBondContact O-CB 3.32Å; A731-S735 PolarHBondContact O-N 3.07Å; A731-S735 VanDerWaalsContact O-O 3.13Å; S735-I737 PolarHBondContact O-N 2.87Å; S735-I737 VanDerWaalsContact O-N 3.08Å; S735-I1104 WeakPolarHBondContact O-CG2 3.5Å
736T72.5Confident84Confident98 Ų9834.3 Ų34.360%0.60120%0.195SC*.  trans-81.278.6-178.249.80000111.5S679 I1104S679-T736 PolarHBondContact OG-O 2.84Å; T736-I1104 HydrophobicContact CG2-CD1 4.33Å; T736-I1104 HydrophobicContact CG2-CG1 4.32Å; T736-I1104 HydrophobicContact CG2-CG2 3.89Å
737I73.5Confident83.8Confident27 Ų2736.5 Ų36.514%0.13820%0.2CC..  trans-99.5142.6-175-58.6178.1000110.8W682 L686 A731 S735 P741W682-I737 HydrophobicContact CB-CD1 3.92Å; W682-I737 HydrophobicContact CG-CD1 4.49Å; L686-I737 HydrophobicContact CD1-CD1 4.16Å; A731-I737 HydrophobicContact CB-CD1 3.33Å; S735-I737 PolarHBondContact O-N 2.87Å; S735-I737 VanDerWaalsContact O-N 3.08Å; I737-P741 HydrophobicContact CG2-CB 4.43Å; I737-P741 HydrophobicContact CG2-CG 3.68Å
738S74.4Confident83.7Confident63 Ų6336.5 Ų36.544%0.44120%0.2SC..  trans-63.3172.6175.955.10000112.5E740 P741S738-E740 PolarHBondContact O-N 3.31Å; S738-P741 WeakPolarHBondContact O-CD 3.44Å; S738-P741 WeakPolarHBondContact OG-CD 3.46Å
739S76.8Confident83.8Confident68 Ų6836.5 Ų36.548%0.47620%0.2SC..SBendtrans-65.6-31.2170.169.70000111.8P741 W742 D743S739-P741 VanDerWaalsContact O-N 3.15Å; S739-W742 WeakPolarHBondContact O-CA 3.27Å; S739-W742 VanDerWaalsContact O-CB 3.3Å; S739-W742 WeakPolarHBondContact O-CB 3.28Å; S739-W742 PolarHBondContact O-N 2.86Å; S739-D743 VanDerWaalsContact CB-OD2 3.26Å; S739-D743 WeakPolarHBondContact CB-OD2 3.41Å; S739-D743 PolarHBondContact O-N 3.18Å; S739-D743 VanDerWaalsContact O-N 3.15Å; S739-D743 PolarHBondContact OG-OD2 2.88Å
740E81.3Confident83.7Confident108 Ų10838.6 Ų38.651%0.50522%0.215SC..Hα-helixtrans-51.1-43.8-166.6-169.7-166.1164.900114.6S738 W742 D743 Q744S738-E740 PolarHBondContact O-N 3.31Å; E740-W742 VanDerWaalsContact C-N 3.26Å; E740-W742 PolarHBondContact O-N 3Å; E740-D743 PolarHBondContact N-OD2 2.91Å; E740-D743 PolarHBondContact O-N 3.41Å; E740-D743 VanDerWaalsContact O-N 3.12Å; E740-Q744 HydrophobicContact CG-CG 4.24Å; E740-Q744 WeakPolarHBondContact O-CB 3.37Å; E740-Q744 WeakPolarHBondContact O-CG 3.36Å; E740-Q744 PolarHBondContact O-N 3.43Å; E740-Q744 PolarHBondContact OE1-NE2 3.31Å
741P84.4Confident83.6Confident12 Ų1241.8 Ų41.88%0.07823%0.231CC..Hα-helixtrans-66-25.7177.8-24.938.5000113.8L686 M690 I737 S738 S739 C745L686-P741 HydrophobicContact CD1-CB 4.03Å; M690-P741 WeakPolarHBondContact CE-O 3.23Å; I737-P741 HydrophobicContact CG2-CB 4.43Å; I737-P741 HydrophobicContact CG2-CG 3.68Å; S738-P741 WeakPolarHBondContact O-CD 3.44Å; S738-P741 WeakPolarHBondContact OG-CD 3.46Å; S739-P741 VanDerWaalsContact O-N 3.15Å; P741-C745 VanDerWaalsContact O-CB 3.25Å; P741-C745 WeakPolarHBondContact O-CB 3.42Å; P741-C745 PolarHBondContact O-N 3.2Å
742W85.6Confident83.5Confident13 Ų1341.8 Ų41.85%0.04923%0.231CC..Hα-helixtrans-74-41.1170.8-73.387.1000111.4L728 S732 S739 E740 C745 L746 R1124 F1125 I1128L728-W742 HydrophobicContact CD1-CD2 4.12Å; L728-W742 HydrophobicContact CD1-CG 4.3Å; L728-W742 HydrophobicContact CD1-CZ2 4.45Å; L728-W742 HydrophobicContact CD2-CD2 4.03Å; L728-W742 HydrophobicContact CD2-CE3 3.82Å; L728-W742 HydrophobicContact CD2-CH2 4.26Å; L728-W742 HydrophobicContact CD2-CZ2 4.42Å; L728-W742 HydrophobicContact CD2-CZ3 3.92Å; L728-W742 HydrophobicContact CG-CD2 4.2Å; L728-W742 HydrophobicContact CG-CE3 4.39Å; L728-W742 HydrophobicContact CG-CH2 4.27Å; L728-W742 HydrophobicContact CG-CZ2 4.03Å; L728-W742 HydrophobicContact CG-CZ3 4.41Å; S732-W742 VanDerWaalsContact OG-CZ2 3.32Å; S732-W742 WeakPolarHBondContact OG-CZ2 3.4Å; S732-W742 PolarHBondContact OG-NE1 2.99Å; S739-W742 WeakPolarHBondContact O-CA 3.27Å; S739-W742 VanDerWaalsContact O-CB 3.3Å; S739-W742 WeakPolarHBondContact O-CB 3.28Å; S739-W742 PolarHBondContact O-N 2.86Å; E740-W742 VanDerWaalsContact C-N 3.26Å; E740-W742 PolarHBondContact O-N 3Å; W742-C745 WeakPolarHBondContact O-CB 3.49Å; W742-C745 PolarHBondContact O-N 3.4Å; W742-L746 WeakPolarHBondContact O-CB 3.34Å; W742-L746 PolarHBondContact O-N 3.2Å; W742-R1124 HydrophobicContact CD2-CB 4.27Å; W742-R1124 HydrophobicContact CE3-CB 3.62Å; W742-R1124 HydrophobicContact CE3-CG 4.31Å; W742-R1124 HydrophobicContact CH2-CB 3.76Å; W742-R1124 HydrophobicContact CZ2-CB 4.41Å; W742-R1124 HydrophobicContact CZ3-CB 3.35Å; W742-R1124 HydrophobicContact CZ3-CG 4.38Å; W742-R1124 VanDerWaalsContact NE1-NH1 3.1Å; W742-F1125 AromaticContact CH2-CD2 3.49Å; W742-F1125 HydrophobicContact CH2-CD2 3.49Å; W742-F1125 VanDerWaalsContact CH2-CD2 3.49Å; W742-F1125 AromaticContact CH2-CE2 3.41Å; W742-F1125 HydrophobicContact CH2-CE2 3.41Å; W742-F1125 VanDerWaalsContact CH2-CE2 3.41Å; W742-F1125 HydrophobicContact CH2-CZ 4.45Å; W742-F1125 HydrophobicContact CZ2-CE2 4.48Å; W742-F1125 AromaticContact CZ3-CD2 3.65Å; W742-F1125 HydrophobicContact CZ3-CD2 3.65Å; W742-F1125 AromaticContact CZ3-CE2 3.66Å; W742-F1125 HydrophobicContact CZ3-CE2 3.66Å; W742-F1125 HydrophobicContact CZ3-CG 4.36Å; W742-F1125 HydrophobicContact CZ3-CZ 4.4Å; W742-I1128 HydrophobicContact CE3-CD1 4.36Å; W742-I1128 HydrophobicContact CZ3-CD1 4.17Å
743D86.4Confident83.4Confident86 Ų8642.5 Ų42.546%0.4624%0.236SC..Hα-helixtrans-66-39.9177.7-54.1-43.5000111S739 E740 N747S739-D743 VanDerWaalsContact CB-OD2 3.26Å; S739-D743 WeakPolarHBondContact CB-OD2 3.41Å; S739-D743 PolarHBondContact O-N 3.18Å; S739-D743 VanDerWaalsContact O-N 3.15Å; S739-D743 PolarHBondContact OG-OD2 2.88Å; E740-D743 PolarHBondContact N-OD2 2.91Å; E740-D743 PolarHBondContact O-N 3.41Å; E740-D743 VanDerWaalsContact O-N 3.12Å; D743-N747 PolarHBondContact O-N 2.95Å; D743-N747 VanDerWaalsContact O-N 3.12Å
744Q86.9Confident83Confident51 Ų5147.4 Ų47.424%0.23826%0.258CS..Hα-helixtrans-65.1-40.2170.5-69.6-173.920.800112.3E740 N747 I748E740-Q744 HydrophobicContact CG-CG 4.24Å; E740-Q744 WeakPolarHBondContact O-CB 3.37Å; E740-Q744 WeakPolarHBondContact O-CG 3.36Å; E740-Q744 PolarHBondContact O-N 3.43Å; E740-Q744 PolarHBondContact OE1-NE2 3.31Å; Q744-N747 PolarHBondContact O-N 3.22Å; Q744-I748 WeakPolarHBondContact O-CG1 3.46Å; Q744-I748 PolarHBondContact O-N 3.11Å; Q744-I748 VanDerWaalsContact O-N 3.12Å
745C89.9Confident83Confident0 Ų045.7 Ų45.70%025%0.251CS..Hα-helixtrans-62-50.8176.7-165.50000111.2M690 L728 P741 W742 N747 I748 Y749M690-C745 HydrophobicContact CE-CB 3.38Å; M690-C745 HydrophobicContact SD-CB 4.28Å; L728-C745 HydrophobicContact CD2-CB 4.14Å; P741-C745 VanDerWaalsContact O-CB 3.25Å; P741-C745 WeakPolarHBondContact O-CB 3.42Å; P741-C745 PolarHBondContact O-N 3.2Å; W742-C745 WeakPolarHBondContact O-CB 3.49Å; W742-C745 PolarHBondContact O-N 3.4Å; C745-N747 VanDerWaalsContact C-N 3.31Å; C745-N747 PolarHBondContact O-N 2.84Å; C745-I748 PolarHBondContact O-N 2.88Å; C745-I748 VanDerWaalsContact O-N 3.17Å; C745-Y749 WeakPolarHBondContact O-CB 3.45Å; C745-Y749 WeakPolarHBondContact O-CD1 3.28Å; C745-Y749 PolarHBondContact O-N 3.11Å
746L88.4Confident83.2Confident67 Ų6748.9 Ų48.935%0.35127%0.271SS..Hα-helixtrans-53.3-46.5176.7173.362.1000111.8W742 Y749 S750 G1127W742-L746 WeakPolarHBondContact O-CB 3.34Å; W742-L746 PolarHBondContact O-N 3.2Å; L746-Y749 PolarHBondContact O-N 3.37Å; L746-S750 WeakPolarHBondContact O-CB 3.31Å; L746-S750 PolarHBondContact O-N 2.87Å; L746-S750 PolarHBondContact O-OG 3.2Å; L746-G1127 VanDerWaalsContact CD1-O 3.26Å; L746-G1127 WeakPolarHBondContact CD1-O 3.17Å
747N86.9Confident83.8Confident74 Ų7444.4 Ų44.440%0.39624%0.244SC..Hα-helixtrans-59.4-51.1177-171.65.2000111.4D743 Q744 C745 Y749 S750 Q751D743-N747 PolarHBondContact O-N 2.95Å; D743-N747 VanDerWaalsContact O-N 3.12Å; Q744-N747 PolarHBondContact O-N 3.22Å; C745-N747 VanDerWaalsContact C-N 3.31Å; C745-N747 PolarHBondContact O-N 2.84Å; N747-Y749 PolarHBondContact O-N 2.88Å; N747-S750 PolarHBondContact O-N 2.87Å; N747-S750 PolarHBondContact O-OG 2.81Å; N747-Q751 WeakPolarHBondContact O-CG 3.25Å; N747-Q751 PolarHBondContact O-N 3.49Å; N747-Q751 PolarHBondContact OD1-NE2 3.29Å
748I88.9Confident84.6Confident1 Ų143.1 Ų43.11%0.00524%0.237CC..Hα-helixtrans-64-43.1179.6-69.5165.1000111.6M690 M693 R694 V698 Q744 C745 Q751 L752M690-I748 HydrophobicContact CB-CD1 3.63Å; M690-I748 HydrophobicContact CG-CD1 4.07Å; M690-I748 HydrophobicContact SD-CD1 3.76Å; M693-I748 HydrophobicContact CB-CG2 4.18Å; M693-I748 HydrophobicContact CE-CG2 4.22Å; R694-I748 HydrophobicContact CB-CD1 4.49Å; V698-I748 HydrophobicContact CG2-CG2 4.45Å; Q744-I748 WeakPolarHBondContact O-CG1 3.46Å; Q744-I748 PolarHBondContact O-N 3.11Å; Q744-I748 VanDerWaalsContact O-N 3.12Å; C745-I748 PolarHBondContact O-N 2.88Å; C745-I748 VanDerWaalsContact O-N 3.17Å; I748-Q751 PolarHBondContact O-N 3.09Å; I748-L752 HydrophobicContact CG2-CD1 3.72Å; I748-L752 HydrophobicContact CG2-CG 4.38Å; I748-L752 WeakPolarHBondContact O-CG 3.29Å; I748-L752 PolarHBondContact O-N 3.45Å
749Y91.3Very high85.2Confident0 Ų040.8 Ų40.80%022%0.22CC..Hα-helixtrans-69.6-34.8-176.6-83.933.5000111.9M693 F721 L724 N725 C745 L746 N747 Q751 L752 S753 L758 I1128M693-Y749 HydrophobicContact CE-CD1 4.29Å; M693-Y749 HydrophobicContact CE-CE1 3.66Å; M693-Y749 HydrophobicContact SD-CE1 4.44Å; F721-Y749 HydrophobicContact CD1-CE1 4.37Å; L724-Y749 HydrophobicContact CD2-CE1 3.7Å; N725-Y749 PolarHBondContact OD1-OH 2.94Å; N725-Y749 VanDerWaalsContact OD1-OH 3.07Å; C745-Y749 WeakPolarHBondContact O-CB 3.45Å; C745-Y749 WeakPolarHBondContact O-CD1 3.28Å; C745-Y749 PolarHBondContact O-N 3.11Å; L746-Y749 PolarHBondContact O-N 3.37Å; N747-Y749 PolarHBondContact O-N 2.88Å; Y749-Q751 VanDerWaalsContact C-N 3.3Å; Y749-Q751 PolarHBondContact O-N 3.16Å; Y749-L752 CarbonylContact O-C 3.58Å; Y749-L752 PolarHBondContact O-N 3.29Å; Y749-S753 PolarHBondContact O-N 3.46Å; Y749-S753 VanDerWaalsContact O-N 3.1Å; Y749-L758 HydrophobicContact CD2-CD1 3.46Å; Y749-L758 VanDerWaalsContact CD2-CD1 3.46Å; Y749-L758 HydrophobicContact CD2-CD2 4.49Å; Y749-L758 HydrophobicContact CE2-CD1 3.39Å; Y749-L758 HydrophobicContact CG-CD1 4.06Å; Y749-L758 HydrophobicContact CG-CD2 4.43Å; Y749-I1128 VanDerWaalsContact CB-O 3.26Å; Y749-I1128 WeakPolarHBondContact CB-O 3.33Å; Y749-I1128 HydrophobicContact CD2-CD1 4.22Å; Y749-I1128 HydrophobicContact CD2-CG1 4.02Å; Y749-I1128 HydrophobicContact CD2-CG2 4.08Å; Y749-I1128 HydrophobicContact CE2-CD1 4.25Å
750S86.3Confident85.7Confident48 Ų4841.7 Ų41.734%0.33622%0.218SC..Hα-helixtrans-60.8-39.117474.80000112.5L746 N747 S753L746-S750 WeakPolarHBondContact O-CB 3.31Å; L746-S750 PolarHBondContact O-N 2.87Å; L746-S750 PolarHBondContact O-OG 3.2Å; N747-S750 PolarHBondContact O-N 2.87Å; N747-S750 PolarHBondContact O-OG 2.81Å; S750-S753 WeakPolarHBondContact O-CB 3.38Å; S750-S753 PolarHBondContact O-OG 3.1Å
751Q84.4Confident86.2Confident90 Ų9036.5 Ų36.542%0.42119%0.194SC..Hα-helixtrans-74.8-30.4178.1-61.4176.537.300112.3V698 N747 I748 Y749 H754V698-Q751 HydrophobicContact CG2-CB 4.5Å; N747-Q751 WeakPolarHBondContact O-CG 3.25Å; N747-Q751 PolarHBondContact O-N 3.49Å; N747-Q751 PolarHBondContact OD1-NE2 3.29Å; I748-Q751 PolarHBondContact O-N 3.09Å; Y749-Q751 VanDerWaalsContact C-N 3.3Å; Y749-Q751 PolarHBondContact O-N 3.16Å; Q751-H754 PolarHBondContact O-CE1 2.87Å; Q751-H754 VanDerWaalsContact O-CE1 3.26Å; Q751-H754 PolarHBondContact O-ND1 3.03Å; Q751-H754 VanDerWaalsContact O-ND1 3.08Å
752L86.5Confident86.6Confident0 Ų036.1 Ų36.10%019%0.191CC..THydrogen-bonded Turntrans-91.97.1179.6-63.9-179.6000114.6M693 M697 V698 F721 I748 Y749 H754 W755 L758M693-L752 HydrophobicContact CB-CD1 4.46Å; M693-L752 HydrophobicContact CE-CD1 3.55Å; M697-L752 HydrophobicContact CB-CD1 3.95Å; M697-L752 HydrophobicContact CB-CD2 3.61Å; M697-L752 HydrophobicContact CB-CG 4.47Å; M697-L752 HydrophobicContact SD-CD1 4.33Å; V698-L752 HydrophobicContact CB-CD2 4.44Å; V698-L752 HydrophobicContact CG2-CD1 4.25Å; V698-L752 HydrophobicContact CG2-CD2 3.75Å; V698-L752 HydrophobicContact CG2-CG 3.9Å; F721-L752 HydrophobicContact CE1-CD1 4.32Å; F721-L752 HydrophobicContact CZ-CD1 4.49Å; I748-L752 HydrophobicContact CG2-CD1 3.72Å; I748-L752 HydrophobicContact CG2-CG 4.38Å; I748-L752 WeakPolarHBondContact O-CG 3.29Å; I748-L752 PolarHBondContact O-N 3.45Å; Y749-L752 CarbonylContact O-C 3.58Å; Y749-L752 PolarHBondContact O-N 3.29Å; L752-H754 PolarHBondContact O-N 3.43Å; L752-W755 PolarHBondContact O-N 2.97Å; L752-L758 HydrophobicContact CB-CD2 4.15Å; L752-L758 WeakPolarHBondContact O-CD2 3.46Å
753S80.8Confident86.8Confident19 Ų1938.4 Ų38.413%0.13320%0.201CC..THydrogen-bonded Turntrans-54.3-17.7179.953.10000115.3Y749 S750Y749-S753 PolarHBondContact O-N 3.46Å; Y749-S753 VanDerWaalsContact O-N 3.1Å; S750-S753 WeakPolarHBondContact O-CB 3.38Å; S750-S753 PolarHBondContact O-OG 3.1Å
754H76.8Confident86.9Confident105 Ų10538.2 Ų38.249%0.48620%0.196SC..THydrogen-bonded Turntrans-79.5-10.2175.362.3-90.5000115Q751 L752 P756Q751-H754 PolarHBondContact O-CE1 2.87Å; Q751-H754 VanDerWaalsContact O-CE1 3.26Å; Q751-H754 PolarHBondContact O-ND1 3.03Å; Q751-H754 VanDerWaalsContact O-ND1 3.08Å; L752-H754 PolarHBondContact O-N 3.43Å; H754-P756 WeakPolarHBondContact O-CD 3.43Å
755W82.3Confident87.1Confident19 Ų1935.8 Ų35.87%0.07219%0.185CC..  trans-87.3117.5179.5-72.983.3000112M697 L711 T717 F721 L752 S757 L758M697-W755 HydrophobicContact CE-CB 4.45Å; M697-W755 HydrophobicContact CE-CD2 3.35Å; M697-W755 HydrophobicContact CE-CE3 3.72Å; M697-W755 HydrophobicContact CE-CG 3.68Å; M697-W755 HydrophobicContact CE-CH2 4.38Å; M697-W755 HydrophobicContact CE-CZ2 4.07Å; M697-W755 HydrophobicContact CE-CZ3 4.21Å; L711-W755 HydrophobicContact CB-CH2 3.86Å; L711-W755 HydrophobicContact CB-CZ3 4.41Å; T717-W755 HydrophobicContact CG2-CE3 4.14Å; T717-W755 HydrophobicContact CG2-CZ3 3.94Å; F721-W755 HydrophobicContact CE2-CB 4.33Å; F721-W755 HydrophobicContact CZ-CB 4.22Å; L752-W755 PolarHBondContact O-N 2.97Å; W755-S757 VanDerWaalsContact C-N 3.26Å; W755-S757 PolarHBondContact O-N 3.26Å; W755-L758 HydrophobicContact CB-CB 4.48Å; W755-L758 WeakPolarHBondContact O-CB 3.08Å; W755-L758 PolarHBondContact O-N 3.33Å
756P82.2Confident87.2Confident77 Ų7735.8 Ų35.850%0.519%0.185SC..Hα-helixtrans-59.1-34-178.9-26.435.9000114H754 L758 I759 I760H754-P756 WeakPolarHBondContact O-CD 3.43Å; P756-L758 PolarHBondContact O-N 2.82Å; P756-I759 PolarHBondContact O-N 3.38Å; P756-I760 WeakPolarHBondContact O-CG1 3.47Å; P756-I760 PolarHBondContact O-N 3.12Å; P756-I760 VanDerWaalsContact O-N 3.08Å
757S85.7Confident87.2Confident5 Ų539.9 Ų39.94%0.03520%0.196CC..Hα-helixtrans-59.1-31.6176.7-55.10000113.3N714 T717 W755 E761N714-S757 PolarHBondContact O-OG 3.25Å; T717-S757 PolarHBondContact OG1-OG 2.87Å; W755-S757 VanDerWaalsContact C-N 3.26Å; W755-S757 PolarHBondContact O-N 3.26Å; S757-E761 PolarHBondContact O-N 2.99Å; S757-E761 VanDerWaalsContact O-N 3.12Å
758L90.2Very high87.4Confident0 Ų038 Ų380%019%0.185CC..Hα-helixtrans-65-49.6175.9172.553.9000110.6F721 Y749 L752 W755 P756 I760 E761 W762 L1129F721-L758 HydrophobicContact CD1-CB 4.14Å; F721-L758 HydrophobicContact CD1-CD1 3.67Å; F721-L758 HydrophobicContact CD1-CG 4.43Å; F721-L758 HydrophobicContact CD2-CB 4.31Å; F721-L758 HydrophobicContact CE1-CB 3.72Å; F721-L758 HydrophobicContact CE1-CD1 3.73Å; F721-L758 HydrophobicContact CE1-CD2 4.27Å; F721-L758 HydrophobicContact CE1-CG 4.09Å; F721-L758 HydrophobicContact CE2-CB 3.94Å; F721-L758 HydrophobicContact CG-CB 4.44Å; F721-L758 HydrophobicContact CG-CD1 4.42Å; F721-L758 HydrophobicContact CZ-CB 3.64Å; F721-L758 HydrophobicContact CZ-CG 4.47Å; Y749-L758 HydrophobicContact CD2-CD1 3.46Å; Y749-L758 VanDerWaalsContact CD2-CD1 3.46Å; Y749-L758 HydrophobicContact CD2-CD2 4.49Å; Y749-L758 HydrophobicContact CE2-CD1 3.39Å; Y749-L758 HydrophobicContact CG-CD1 4.06Å; Y749-L758 HydrophobicContact CG-CD2 4.43Å; L752-L758 HydrophobicContact CB-CD2 4.15Å; L752-L758 WeakPolarHBondContact O-CD2 3.46Å; W755-L758 HydrophobicContact CB-CB 4.48Å; W755-L758 WeakPolarHBondContact O-CB 3.08Å; W755-L758 PolarHBondContact O-N 3.33Å; P756-L758 PolarHBondContact O-N 2.82Å; L758-I760 VanDerWaalsContact C-N 3.31Å; L758-I760 PolarHBondContact O-N 2.82Å; L758-E761 PolarHBondContact O-N 2.91Å; L758-W762 VanDerWaalsContact O-CB 3.26Å; L758-W762 WeakPolarHBondContact O-CB 3.35Å; L758-W762 PolarHBondContact O-N 3.4Å; L758-L1129 HydrophobicContact CD1-CD2 4.2Å; L758-L1129 HydrophobicContact CD2-CD2 3.94Å; L758-L1129 HydrophobicContact CG-CD2 3.96Å
759I87.4Confident87.4Confident14 Ų1437.9 Ų37.97%0.07218%0.184CC..Hα-helixtrans-64.9-37.4-178.1-53.7-50.2000111.1P756 K763 L1129 T1140 I1144P756-I759 PolarHBondContact O-N 3.38Å; I759-K763 VanDerWaalsContact O-CB 3.25Å; I759-K763 WeakPolarHBondContact O-CB 3.41Å; I759-K763 PolarHBondContact O-N 3.4Å; I759-L1129 HydrophobicContact CD1-CD1 3.84Å; I759-L1129 HydrophobicContact CD1-CD2 4.18Å; I759-T1140 HydrophobicContact CD1-CG2 4.48Å; I759-T1140 HydrophobicContact CG1-CG2 3.79Å; I759-I1144 HydrophobicContact CD1-CD1 3.79Å; I759-I1144 HydrophobicContact CD1-CG1 4.13Å; I759-I1144 HydrophobicContact CG1-CD1 4.4Å; I759-I1144 HydrophobicContact CG1-CG1 4.47Å; I759-I1144 HydrophobicContact CG2-CG1 3.7Å
760I87.3Confident87.3Confident86 Ų8638.1 Ų38.144%0.44119%0.186SC..Hα-helixtrans-63.3-48.6175.6-66.7166.4000111.2P756 L758 K763 K764P756-I760 WeakPolarHBondContact O-CG1 3.47Å; P756-I760 PolarHBondContact O-N 3.12Å; P756-I760 VanDerWaalsContact O-N 3.08Å; L758-I760 VanDerWaalsContact C-N 3.31Å; L758-I760 PolarHBondContact O-N 2.82Å; I760-K763 PolarHBondContact O-N 3.17Å; I760-K764 PolarHBondContact O-N 3.28Å; I760-K764 VanDerWaalsContact O-N 3.15Å
761E91.2Very high87.4Confident0 Ų038 Ų380%018%0.184CC..Hα-helixtrans-71.6-38.1179.2-66.6-43.6108.600112.6Q718 F721 Q722 S757 L758 K763 K764 V765Q718-E761 HydrophobicContact CG-CG 4.05Å; Q718-E761 VanDerWaalsContact CG-OE1 3.3Å; Q718-E761 WeakPolarHBondContact CG-OE1 3.5Å; Q718-E761 PolarHBondContact NE2-OE1 3.16Å; F721-E761 HydrophobicContact CB-CB 4.04Å; F721-E761 HydrophobicContact CB-CG 3.98Å; Q722-E761 HydrophobicContact CB-CG 4.4Å; S757-E761 PolarHBondContact O-N 2.99Å; S757-E761 VanDerWaalsContact O-N 3.12Å; L758-E761 PolarHBondContact O-N 2.91Å; E761-K763 VanDerWaalsContact C-N 3.34Å; E761-K763 PolarHBondContact O-N 2.94Å; E761-K764 WeakPolarHBondContact O-CB 3.48Å; E761-K764 PolarHBondContact O-N 2.84Å; E761-K764 VanDerWaalsContact O-N 3.14Å; E761-K764 WeakPolarHBondContact OE1-CE 3.33Å; E761-K764 IonicContact OE1-NZ 3.8Å; E761-K764 PolarHBondContact OE1-NZ 2.72Å; E761-K764 WeakPolarHBondContact OE2-CD 3.37Å; E761-K764 IonicContact OE2-NZ 3.57Å; E761-K764 PolarHBondContact OE2-NZ 2.65Å; E761-V765 WeakPolarHBondContact O-CG2 3.3Å; E761-V765 PolarHBondContact O-N 2.95Å
762W92.8Very high87.4Confident3 Ų334.5 Ų34.51%0.01117%0.169CC..Hα-helixtrans-57.9-45.4172.8172.979.3000111.8L758 K764 V765 M766 F1125 L1129 I1144 Y1147 L1148L758-W762 VanDerWaalsContact O-CB 3.26Å; L758-W762 WeakPolarHBondContact O-CB 3.35Å; L758-W762 PolarHBondContact O-N 3.4Å; W762-K764 VanDerWaalsContact C-N 3.31Å; W762-K764 PolarHBondContact O-N 3.4Å; W762-V765 PolarHBondContact O-N 3.31Å; W762-M766 HydrophobicContact CD2-CG 4.37Å; W762-M766 HydrophobicContact CZ2-CG 4.13Å; W762-M766 PolarHBondContact O-N 2.79Å; W762-F1125 PolarHBondContact NE1-O 3.13Å; W762-L1129 HydrophobicContact CD2-CD1 3.71Å; W762-L1129 HydrophobicContact CD2-CG 4.31Å; W762-L1129 HydrophobicContact CE3-CD1 3.95Å; W762-L1129 HydrophobicContact CG-CD1 4.12Å; W762-L1129 HydrophobicContact CG-CD2 4.4Å; W762-L1129 HydrophobicContact CG-CG 4.28Å; W762-L1129 HydrophobicContact CH2-CD1 4.39Å; W762-L1129 HydrophobicContact CZ2-CD1 4.19Å; W762-L1129 HydrophobicContact CZ3-CD1 4.27Å; W762-I1144 HydrophobicContact CH2-CG2 3.95Å; W762-I1144 HydrophobicContact CZ3-CG1 4.43Å; W762-I1144 HydrophobicContact CZ3-CG2 3.94Å; W762-Y1147 HydrophobicContact CE3-CD1 4.28Å; W762-Y1147 AromaticContact CH2-CD1 3.75Å; W762-Y1147 HydrophobicContact CH2-CD1 3.75Å; W762-Y1147 HydrophobicContact CH2-CE1 4.24Å; W762-Y1147 AromaticContact CZ3-CD1 3.55Å; W762-Y1147 HydrophobicContact CZ3-CD1 3.55Å; W762-Y1147 HydrophobicContact CZ3-CE1 4.29Å; W762-Y1147 HydrophobicContact CZ3-CG 4.45Å; W762-L1148 HydrophobicContact CH2-CD2 4.3Å
763K89.4Confident87.4Confident62 Ų6234.5 Ų34.527%0.2717%0.169SC..Hα-helixtrans-58.6-40174.1174.7162.7-174.5157.40112.3I759 I760 E761 R767 Y1147 E1150I759-K763 VanDerWaalsContact O-CB 3.25Å; I759-K763 WeakPolarHBondContact O-CB 3.41Å; I759-K763 PolarHBondContact O-N 3.4Å; I760-K763 PolarHBondContact O-N 3.17Å; E761-K763 VanDerWaalsContact C-N 3.34Å; E761-K763 PolarHBondContact O-N 2.94Å; K763-R767 WeakPolarHBondContact O-CB 3.41Å; K763-R767 PolarHBondContact O-N 2.84Å; K763-Y1147 HydrophobicContact CB-CG 4.32Å; K763-Y1147 HydrophobicContact CD-CD2 3.82Å; K763-Y1147 HydrophobicContact CD-CG 3.91Å; K763-Y1147 HydrophobicContact CG-CD1 4.38Å; K763-Y1147 HydrophobicContact CG-CD2 3.61Å; K763-Y1147 HydrophobicContact CG-CE2 4.07Å; K763-Y1147 HydrophobicContact CG-CG 3.78Å; K763-E1150 WeakPolarHBondContact CE-OE2 3.23Å; K763-E1150 IonicContact NZ-OE1 2.75Å; K763-E1150 PolarHBondContact NZ-OE1 2.76Å; K763-E1150 IonicContact NZ-OE2 2.82Å; K763-E1150 PolarHBondContact NZ-OE2 2.91Å
764K90.3Very high87.7Confident81 Ų8133.6 Ų33.635%0.35216%0.163SC..Hα-helixtrans-65.6-45.9173.4-68.4-179.2-165.31640112I760 E761 W762 R767 M768 Y819I760-K764 PolarHBondContact O-N 3.28Å; I760-K764 VanDerWaalsContact O-N 3.15Å; E761-K764 WeakPolarHBondContact O-CB 3.48Å; E761-K764 PolarHBondContact O-N 2.84Å; E761-K764 VanDerWaalsContact O-N 3.14Å; E761-K764 WeakPolarHBondContact OE1-CE 3.33Å; E761-K764 IonicContact OE1-NZ 3.8Å; E761-K764 PolarHBondContact OE1-NZ 2.72Å; E761-K764 WeakPolarHBondContact OE2-CD 3.37Å; E761-K764 IonicContact OE2-NZ 3.57Å; E761-K764 PolarHBondContact OE2-NZ 2.65Å; W762-K764 VanDerWaalsContact C-N 3.31Å; W762-K764 PolarHBondContact O-N 3.4Å; K764-R767 PolarHBondContact O-N 3.46Å; K764-M768 WeakPolarHBondContact O-CB 3.5Å; K764-M768 PolarHBondContact O-N 2.91Å; K764-Y819 HydrophobicContact CB-CE1 4.29Å; K764-Y819 WeakPolarHBondContact CB-OH 3.31Å; K764-Y819 HydrophobicContact CD-CE1 4.04Å
765V91.3Very high88Confident0 Ų033 Ų330%016%0.159CC..Hα-helixtrans-60.9-51.5-179.5172.70000110.4N725 L729 E761 W762 R767 M768 L769 Y819 F1125N725-V765 HydrophobicContact CB-CG2 3.72Å; L729-V765 HydrophobicContact CD1-CG1 3.96Å; E761-V765 WeakPolarHBondContact O-CG2 3.3Å; E761-V765 PolarHBondContact O-N 2.95Å; W762-V765 PolarHBondContact O-N 3.31Å; V765-R767 VanDerWaalsContact C-N 3.29Å; V765-R767 PolarHBondContact O-N 3.17Å; V765-M768 WeakPolarHBondContact O-CB 3.39Å; V765-M768 PolarHBondContact O-N 2.95Å; V765-L769 HydrophobicContact CG1-CD1 3.65Å; V765-L769 HydrophobicContact CG1-CG 4.24Å; V765-L769 WeakPolarHBondContact O-CG 3.26Å; V765-L769 PolarHBondContact O-N 3.45Å; V765-Y819 WeakPolarHBondContact CA-OH 3.35Å; V765-Y819 WeakPolarHBondContact CG2-OH 3.39Å; V765-Y819 PolarHBondContact N-OH 3.34Å; V765-Y819 VanDerWaalsContact N-OH 3.11Å; V765-F1125 HydrophobicContact CB-CD1 4.27Å; V765-F1125 HydrophobicContact CB-CE1 4.37Å; V765-F1125 HydrophobicContact CG1-CB 4.38Å; V765-F1125 HydrophobicContact CG1-CD1 3.53Å; V765-F1125 HydrophobicContact CG1-CD2 4.01Å; V765-F1125 HydrophobicContact CG1-CE1 3.73Å; V765-F1125 HydrophobicContact CG1-CE2 4.2Å; V765-F1125 HydrophobicContact CG1-CG 3.69Å; V765-F1125 HydrophobicContact CG1-CZ 4.06Å; V765-F1125 HydrophobicContact CG2-CE1 4.36Å
766M90.5Very high88.1Confident0 Ų034.8 Ų34.80%017%0.17CC..Hα-helixtrans-63.1-35.5179.7-75.7-59.5-62.100112.1W762 L769 T770 W1122 F1125 L1126 Y1147 M1151W762-M766 HydrophobicContact CD2-CG 4.37Å; W762-M766 HydrophobicContact CZ2-CG 4.13Å; W762-M766 PolarHBondContact O-N 2.79Å; M766-L769 HydrophobicContact SD-CD1 4.39Å; M766-T770 VanDerWaalsContact O-CB 3.27Å; M766-T770 WeakPolarHBondContact O-CB 3.26Å; M766-T770 PolarHBondContact O-N 3.1Å; M766-T770 PolarHBondContact O-OG1 2.79Å; M766-W1122 HydrophobicContact CE-CD2 4.27Å; M766-W1122 HydrophobicContact CE-CG 4.25Å; M766-W1122 HydrophobicContact CE-CZ2 4.32Å; M766-F1125 HydrophobicContact CG-CB 4.48Å; M766-F1125 VanDerWaalsContact SD-C 3.51Å; M766-F1125 HydrophobicContact SD-CB 3.49Å; M766-F1125 WeakPolarHBondContact SD-CB 3.39Å; M766-L1126 HydrophobicContact CE-CB 3.87Å; M766-L1126 HydrophobicContact CE-CD1 4.11Å; M766-L1126 HydrophobicContact SD-CB 4.41Å; M766-L1126 PolarHBondContact SD-N 3.02Å; M766-Y1147 HydrophobicContact CB-CE1 3.47Å; M766-Y1147 VanDerWaalsContact CB-CE1 3.47Å; M766-Y1147 VanDerWaalsContact CB-OH 3.22Å; M766-Y1147 WeakPolarHBondContact CB-OH 3.35Å; M766-Y1147 HydrophobicContact CG-CE1 4.28Å; M766-Y1147 PolarHBondContact O-OH 3.14Å; M766-M1151 HydrophobicContact CE-CE 4.47Å; M766-M1151 HydrophobicContact CE-SD 3.51Å; M766-M1151 VanDerWaalsContact CE-SD 3.51Å
767R88.7Confident88.1Confident153 Ų15331.7 Ų31.758%0.57715%0.149SC*.Hα-helixtrans-67.1-43.2173.6-179.9173.5171.4138.6-4.1111.9K763 K764 V765 T770 C771 Y1147K763-R767 WeakPolarHBondContact O-CB 3.41Å; K763-R767 PolarHBondContact O-N 2.84Å; K764-R767 PolarHBondContact O-N 3.46Å; V765-R767 VanDerWaalsContact C-N 3.29Å; V765-R767 PolarHBondContact O-N 3.17Å; R767-T770 PolarHBondContact O-N 2.97Å; R767-C771 WeakPolarHBondContact O-CB 3.37Å; R767-C771 PolarHBondContact O-N 3.37Å; R767-C771 PolarHBondContact O-SG 3.01Å; R767-Y1147 WeakPolarHBondContact CA-OH 3.35Å; R767-Y1147 HydrophobicContact CB-CE2 4.39Å; R767-Y1147 PolarHBondContact N-OH 2.92Å
768M90.6Very high87.8Confident34 Ų3432.7 Ų32.717%0.16715%0.152CC..Hα-helixtrans-58.9-52.6173.6179.8-174.170.600110.6L729 K764 V765 T770 C771 T772 Y819L729-M768 HydrophobicContact CD1-CE 3.55Å; K764-M768 WeakPolarHBondContact O-CB 3.5Å; K764-M768 PolarHBondContact O-N 2.91Å; V765-M768 WeakPolarHBondContact O-CB 3.39Å; V765-M768 PolarHBondContact O-N 2.95Å; M768-T770 VanDerWaalsContact C-N 3.34Å; M768-T770 PolarHBondContact O-N 3.22Å; M768-C771 PolarHBondContact O-N 2.91Å; M768-T772 WeakPolarHBondContact O-CB 3.27Å; M768-T772 PolarHBondContact O-N 2.87Å; M768-T772 PolarHBondContact O-OG1 3.4Å; M768-T772 VanDerWaalsContact O-OG1 3.07Å; M768-Y819 HydrophobicContact CE-CD2 4.47Å; M768-Y819 HydrophobicContact CE-CE2 3.99Å; M768-Y819 HydrophobicContact SD-CD2 3.82Å; M768-Y819 HydrophobicContact SD-CE2 3.69Å
769L90.4Very high87.2Confident0 Ų035.7 Ų35.70%018%0.183CC..Hα-helixtrans-59.1-43.1179-69.5169.8000112L729 V765 M766 T772 M773 W1113 C1121 W1122 F1125L729-L769 HydrophobicContact CD2-CD1 4.41Å; L729-L769 HydrophobicContact CD2-CD2 4.14Å; V765-L769 HydrophobicContact CG1-CD1 3.65Å; V765-L769 HydrophobicContact CG1-CG 4.24Å; V765-L769 WeakPolarHBondContact O-CG 3.26Å; V765-L769 PolarHBondContact O-N 3.45Å; M766-L769 HydrophobicContact SD-CD1 4.39Å; L769-T772 PolarHBondContact O-N 3.31Å; L769-M773 WeakPolarHBondContact O-CB 3.31Å; L769-M773 PolarHBondContact O-N 2.87Å; L769-W1113 HydrophobicContact CD2-CH2 3.57Å; L769-W1113 HydrophobicContact CD2-CZ3 3.81Å; L769-C1121 HydrophobicContact CD2-CB 4.06Å; L769-W1122 HydrophobicContact CB-CB 4.4Å; L769-F1125 HydrophobicContact CD1-CB 3.78Å; L769-F1125 HydrophobicContact CD1-CD2 3.93Å; L769-F1125 HydrophobicContact CD1-CG 4Å
770T89Confident86.8Confident4 Ų435.4 Ų35.43%0.02518%0.182CC..Hα-helixtrans-65.8-39.8177.8-54.90000111.9M766 R767 M768 S774 W1122 M1151 C1154 L1155M766-T770 VanDerWaalsContact O-CB 3.27Å; M766-T770 WeakPolarHBondContact O-CB 3.26Å; M766-T770 PolarHBondContact O-N 3.1Å; M766-T770 PolarHBondContact O-OG1 2.79Å; R767-T770 PolarHBondContact O-N 2.97Å; M768-T770 VanDerWaalsContact C-N 3.34Å; M768-T770 PolarHBondContact O-N 3.22Å; T770-S774 WeakPolarHBondContact O-CB 3.48Å; T770-S774 PolarHBondContact O-N 3.46Å; T770-W1122 PolarHBondContact OG1-NE1 2.79Å; T770-M1151 HydrophobicContact CG2-CG 4.42Å; T770-C1154 HydrophobicContact CG2-CB 4.21Å; T770-L1155 HydrophobicContact CG2-CD2 4.31Å
771C87.2Confident86.4Confident46 Ų4633.8 Ų33.831%0.31117%0.174SC..Hα-helixtrans-66.5-42.7173.6-740000112.6R767 M768 S774 K775R767-C771 WeakPolarHBondContact O-CB 3.37Å; R767-C771 PolarHBondContact O-N 3.37Å; R767-C771 PolarHBondContact O-SG 3.01Å; M768-C771 PolarHBondContact O-N 2.91Å; C771-S774 WeakPolarHBondContact O-CB 3.49Å; C771-S774 PolarHBondContact O-N 3.04Å; C771-K775 PolarHBondContact O-N 2.92Å; C771-K775 VanDerWaalsContact O-N 3.08Å
772T85.6Confident85.5Confident16 Ų1635.8 Ų35.810%0.09819%0.185CC..Hα-helixtrans-63.5-43.2176.3-62.30000110.9M768 L769 K775 L776 W1113 I1118M768-T772 WeakPolarHBondContact O-CB 3.27Å; M768-T772 PolarHBondContact O-N 2.87Å; M768-T772 PolarHBondContact O-OG1 3.4Å; M768-T772 VanDerWaalsContact O-OG1 3.07Å; L769-T772 PolarHBondContact O-N 3.31Å; T772-K775 PolarHBondContact O-N 2.89Å; T772-L776 HydrophobicContact CG2-CD1 3.76Å; T772-L776 HydrophobicContact CG2-CG 4.39Å; T772-L776 WeakPolarHBondContact O-CB 3.34Å; T772-L776 PolarHBondContact O-N 2.87Å; T772-W1113 HydrophobicContact CG2-CD2 4.39Å; T772-W1113 HydrophobicContact CG2-CE3 4.49Å; T772-I1118 HydrophobicContact CG2-CD1 4.09Å; T772-I1118 HydrophobicContact CG2-CG1 4.15Å
773M87Confident84.3Confident0 Ų039.2 Ų39.20%021%0.21CC..Hα-helixtrans-62.1-44174.5-167.2175.763.700111.8L769 K775 V777 Y778 I1118 V1119 W1122 L1155 P1181L769-M773 WeakPolarHBondContact O-CB 3.31Å; L769-M773 PolarHBondContact O-N 2.87Å; M773-K775 PolarHBondContact O-N 3.3Å; M773-V777 HydrophobicContact CG-CB 4.03Å; M773-V777 HydrophobicContact CG-CG2 3.93Å; M773-V777 WeakPolarHBondContact O-CA 3.46Å; M773-V777 VanDerWaalsContact O-CB 3.3Å; M773-V777 WeakPolarHBondContact O-CB 3.39Å; M773-V777 PolarHBondContact O-N 2.71Å; M773-Y778 HydrophobicContact CE-CE2 4.16Å; M773-Y778 HydrophobicContact CG-CD2 4.09Å; M773-Y778 HydrophobicContact CG-CE2 3.69Å; M773-Y778 WeakPolarHBondContact O-CD2 3.4Å; M773-Y778 PolarHBondContact O-N 2.85Å; M773-Y778 HydrophobicContact SD-CE2 4.07Å; M773-I1118 HydrophobicContact CB-CG2 3.63Å; M773-I1118 HydrophobicContact CG-CG2 3.97Å; M773-V1119 HydrophobicContact SD-CG2 4.23Å; M773-W1122 HydrophobicContact CE-CD2 4.19Å; M773-W1122 HydrophobicContact CE-CG 4.3Å; M773-W1122 HydrophobicContact SD-CD2 4.42Å; M773-W1122 HydrophobicContact SD-CG 4.25Å; M773-L1155 HydrophobicContact CE-CD2 3.59Å; M773-P1181 HydrophobicContact CE-CG 4.4Å
774S85.9Confident82.8Confident0 Ų042.9 Ų42.90%023%0.232CC..Hα-helixtrans-53.3-52.9173.5-169.90000112.2T770 C771 Y778 G779 V780 L782 I1158T770-S774 WeakPolarHBondContact O-CB 3.48Å; T770-S774 PolarHBondContact O-N 3.46Å; C771-S774 WeakPolarHBondContact O-CB 3.49Å; C771-S774 PolarHBondContact O-N 3.04Å; S774-Y778 CarbonylContact O-C 3.58Å; S774-Y778 PolarHBondContact O-N 3.29Å; S774-G779 PolarHBondContact O-N 2.86Å; S774-G779 VanDerWaalsContact O-N 3.09Å; S774-V780 CarbonylContact C-O 3.59Å; S774-V780 WeakPolarHBondContact CB-O 3.49Å; S774-V780 PolarHBondContact O-N 3.22Å; S774-V780 PolarHBondContact OG-O 3.41Å; S774-L782 WeakPolarHBondContact OG-CG 3.4Å; S774-I1158 WeakPolarHBondContact OG-CG1 3.32Å
775K84Confident81.3Confident93 Ų9340.6 Ų40.640%0.40422%0.224SC..Hα-helixtrans-76.5-37.2-173.3-63.8-167.9-170.9-152.80113.6C771 T772 M773 V780 D781 S783C771-K775 PolarHBondContact O-N 2.92Å; C771-K775 VanDerWaalsContact O-N 3.08Å; T772-K775 PolarHBondContact O-N 2.89Å; M773-K775 PolarHBondContact O-N 3.3Å; K775-V780 PolarHBondContact N-O 2.82Å; K775-D781 WeakPolarHBondContact CD-OD2 3.35Å; K775-D781 WeakPolarHBondContact CE-OD1 3.33Å; K775-D781 WeakPolarHBondContact CE-OD2 3.36Å; K775-D781 IonicContact NZ-OD1 3.27Å; K775-D781 PolarHBondContact NZ-OD1 3.05Å; K775-D781 IonicContact NZ-OD2 2.69Å; K775-D781 PolarHBondContact NZ-OD2 3.18Å; K775-S783 PolarHBondContact NZ-OG 2.8Å
776L83Confident79.1Confident57 Ų5743 Ų4330%0.29824%0.239SC..Hα-helixtrans-97.8-38.4-172.5-60-176.9000113.6T772 L812 W1113 H1115 I1118T772-L776 HydrophobicContact CG2-CD1 3.76Å; T772-L776 HydrophobicContact CG2-CG 4.39Å; T772-L776 WeakPolarHBondContact O-CB 3.34Å; T772-L776 PolarHBondContact O-N 2.87Å; L776-L812 HydrophobicContact CD2-CD1 4.4Å; L776-W1113 HydrophobicContact CD1-CB 4.23Å; L776-H1115 PolarHBondContact O-CE1 3.4Å; L776-H1115 PolarHBondContact O-NE2 3.45Å; L776-I1118 HydrophobicContact CB-CD1 3.75Å; L776-I1118 HydrophobicContact CD1-CD1 3.81Å; L776-I1118 HydrophobicContact CG-CD1 4.39Å
777V82.4Confident76.7Confident11 Ų1150.8 Ų50.87%0.06728%0.275CS..THydrogen-bonded Turntrans-88.3-41.3-179-175.70000111.4M773 H1115 I1118 V1119 F1178M773-V777 HydrophobicContact CG-CB 4.03Å; M773-V777 HydrophobicContact CG-CG2 3.93Å; M773-V777 WeakPolarHBondContact O-CA 3.46Å; M773-V777 VanDerWaalsContact O-CB 3.3Å; M773-V777 WeakPolarHBondContact O-CB 3.39Å; M773-V777 PolarHBondContact O-N 2.71Å; V777-H1115 HydrophobicContact CG2-CB 4.16Å; V777-I1118 HydrophobicContact CG2-CB 4.21Å; V777-I1118 HydrophobicContact CG2-CD1 4.03Å; V777-I1118 HydrophobicContact CG2-CG2 4.13Å; V777-V1119 HydrophobicContact CG2-CG2 4.41Å; V777-F1178 HydrophobicContact CG1-CD1 4.41Å
778Y80.9Confident74.3Confident26 Ų2649 Ų4910%0.10227%0.274CS..SBendtrans-105.3-4.6-175.5-60.5-76.4000114.6M773 S774 V780 I1158 F1178 V1179 P1180 P1181M773-Y778 HydrophobicContact CE-CE2 4.16Å; M773-Y778 HydrophobicContact CG-CD2 4.09Å; M773-Y778 HydrophobicContact CG-CE2 3.69Å; M773-Y778 WeakPolarHBondContact O-CD2 3.4Å; M773-Y778 PolarHBondContact O-N 2.85Å; M773-Y778 HydrophobicContact SD-CE2 4.07Å; S774-Y778 CarbonylContact O-C 3.58Å; S774-Y778 PolarHBondContact O-N 3.29Å; Y778-V780 PolarHBondContact O-N 3.39Å; Y778-V780 VanDerWaalsContact O-N 3.14Å; Y778-I1158 HydrophobicContact CD1-CG2 4.05Å; Y778-I1158 HydrophobicContact CD2-CG2 3.66Å; Y778-I1158 HydrophobicContact CE2-CG2 4.49Å; Y778-I1158 HydrophobicContact CG-CG2 3.41Å; Y778-I1158 VanDerWaalsContact CG-CG2 3.41Å; Y778-F1178 HydrophobicContact CD1-CB 3.96Å; Y778-F1178 HydrophobicContact CE1-CB 3.58Å; Y778-F1178 WeakPolarHBondContact CE1-O 3.44Å; Y778-V1179 PolarHBondContact OH-O 2.99Å; Y778-V1179 VanDerWaalsContact OH-O 3.11Å; Y778-P1180 HydrophobicContact CD1-CG 4.01Å; Y778-P1180 HydrophobicContact CE1-CB 4.45Å; Y778-P1180 HydrophobicContact CE1-CG 3.73Å; Y778-P1180 WeakPolarHBondContact OH-CA 3.34Å; Y778-P1181 WeakPolarHBondContact OH-CD 3.48Å
779G77.3Confident71.4Confident63 Ų6357 Ų5765%0.64931%0.307SS*.  trans67.75.5-179.300000115.8S774S774-G779 PolarHBondContact O-N 2.86Å; S774-G779 VanDerWaalsContact O-N 3.09Å
780V79Confident68.3Low9 Ų966.5 Ų66.56%0.05535%0.349CS..  trans-92.7121.8-176.4179.70000110.3S774 K775 Y778 L782 L785 I1158 Q1162S774-V780 CarbonylContact C-O 3.59Å; S774-V780 WeakPolarHBondContact CB-O 3.49Å; S774-V780 PolarHBondContact O-N 3.22Å; S774-V780 PolarHBondContact OG-O 3.41Å; K775-V780 PolarHBondContact N-O 2.82Å; Y778-V780 PolarHBondContact O-N 3.39Å; Y778-V780 VanDerWaalsContact O-N 3.14Å; V780-L782 HydrophobicContact CG1-CD2 4.35Å; V780-L785 HydrophobicContact CG1-CD2 3.96Å; V780-I1158 HydrophobicContact CB-CG2 4.49Å; V780-I1158 HydrophobicContact CG2-CG2 4.25Å; V780-Q1162 HydrophobicContact CG2-CB 4.16Å
781D77.6Confident65.3Low51 Ų5168.9 Ų68.927%0.27337%0.374SS..  trans-91.4105.2169.7-161.7-39.6000111.4K775 S783 D784 L785K775-D781 WeakPolarHBondContact CD-OD2 3.35Å; K775-D781 WeakPolarHBondContact CE-OD1 3.33Å; K775-D781 WeakPolarHBondContact CE-OD2 3.36Å; K775-D781 IonicContact NZ-OD1 3.27Å; K775-D781 PolarHBondContact NZ-OD1 3.05Å; K775-D781 IonicContact NZ-OD2 2.69Å; K775-D781 PolarHBondContact NZ-OD2 3.18Å; D781-S783 PolarHBondContact O-N 3.11Å; D781-S783 VanDerWaalsContact O-N 3.07Å; D781-S783 WeakPolarHBondContact OD1-CB 3.42Å; D781-S783 PolarHBondContact OD1-N 3.44Å; D781-S783 PolarHBondContact OD1-OG 2.55Å; D781-D784 HydrophobicContact CB-CB 4.3Å; D781-D784 PolarHBondContact O-N 2.86Å; D781-D784 VanDerWaalsContact O-N 3.09Å; D781-L785 PolarHBondContact O-N 2.98Å
782L72Confident62.4Low42 Ų4272.4 Ų72.422%0.2240%0.397CS..THydrogen-bonded Turntrans-58.3-19.2178.2-61.3179.5000114.1S774 V780 L785 C1154 I1158S774-L782 WeakPolarHBondContact OG-CG 3.4Å; V780-L782 HydrophobicContact CG1-CD2 4.35Å; L782-L785 HydrophobicContact CD2-CD1 3.88Å; L782-C1154 HydrophobicContact CD1-CB 4.42Å; L782-I1158 HydrophobicContact CD2-CG1 4Å
783S69.6Low59.6Low76 Ų7683.6 Ų83.653%0.53144%0.437SS..THydrogen-bonded Turntrans-83.2-31.8176.55.80000113.4K775 D781K775-S783 PolarHBondContact NZ-OG 2.8Å; D781-S783 PolarHBondContact O-N 3.11Å; D781-S783 VanDerWaalsContact O-N 3.07Å; D781-S783 WeakPolarHBondContact OD1-CB 3.42Å; D781-S783 PolarHBondContact OD1-N 3.44Å; D781-S783 PolarHBondContact OD1-OG 2.55Å
784D56.1Low56.7Low138 Ų13891.2 Ų91.274%0.73848%0.476SS*.THydrogen-bonded Turntrans-92.7-2.9-178.7-81.5-15.8000113.3D781D781-D784 HydrophobicContact CB-CB 4.3Å; D781-D784 PolarHBondContact O-N 2.86Å; D781-D784 VanDerWaalsContact O-N 3.09Å
785L60.5Low53.8Low34 Ų34100.8 Ų100.818%0.17852%0.517CS..SBendtrans-50.5135.7169.5-68.5-177.3000110.3V780 D781 L782 Q787 K1157 Y1161V780-L785 HydrophobicContact CG1-CD2 3.96Å; D781-L785 PolarHBondContact O-N 2.98Å; L782-L785 HydrophobicContact CD2-CD1 3.88Å; L785-Q787 PolarHBondContact O-N 3.35Å; L785-K1157 HydrophobicContact CD1-CB 4.33Å; L785-Y1161 HydrophobicContact CD1-CD2 4.45Å; L785-Y1161 HydrophobicContact CD2-CD1 3.72Å; L785-Y1161 HydrophobicContact CD2-CD2 3.71Å; L785-Y1161 HydrophobicContact CD2-CE1 4.26Å; L785-Y1161 HydrophobicContact CD2-CE2 4.25Å; L785-Y1161 HydrophobicContact CD2-CG 3.41Å; L785-Y1161 VanDerWaalsContact CD2-CG 3.41Å
786P44.6Very low50.9Low50 Ų50108 Ų10833%0.32554%0.542SS..  trans-66.495.2-172.626.9-34.9000111E788 Y1161P786-E788 PolarHBondContact O-N 2.89Å; P786-E788 VanDerWaalsContact O-N 3.13Å; P786-Y1161 HydrophobicContact CG-CE1 3.89Å
787Q39.8Very low48.3Very low163 Ų163113.9 Ų113.976%0.76257%0.573SS**  trans-59.5117.2172.4-63.7-174.915.500109.2L785 K789L785-Q787 PolarHBondContact O-N 3.35Å; Q787-K789 WeakPolarHBondContact O-CG 2.88Å; Q787-K789 PolarHBondContact O-N 3.44Å
788E37.4Very low45.6Very low117 Ų117118.5 Ų118.555%0.54761%0.612SS.*  trans-58.8112.7170.5-65-178.1132.900108.1P786 K790 S1014P786-E788 PolarHBondContact O-N 2.89Å; P786-E788 VanDerWaalsContact O-N 3.13Å; E788-K790 PolarHBondContact O-N 2.59Å; E788-S1014 WeakPolarHBondContact OE1-CB 3.49Å; E788-S1014 WeakPolarHBondContact OE2-CB 3.4Å; E788-S1014 PolarHBondContact OE2-OG 2.97Å
789K30.5Very low42.9Very low200 Ų200120.5 Ų120.587%0.8764%0.641SS**  trans-73108.5-155-76-172.6175.31800112.3Q787 G791Q787-K789 WeakPolarHBondContact O-CG 2.88Å; Q787-K789 PolarHBondContact O-N 3.44Å; K789-G791 PolarHBondContact O-N 3.24Å
790K24.9Very low40.5Very low200 Ų200123.2 Ų123.287%0.8765%0.65SS**  trans-68.175167.8-67.5-175.4176.2-178.40112.6E788E788-K790 PolarHBondContact O-N 2.59Å
791G26.5Very low37.9Very low54 Ų54128.9 Ų128.956%0.55769%0.685SS**  trans76.4148.1160.600000117.3K789 R793K789-G791 PolarHBondContact O-N 3.24Å; G791-R793 PolarHBondContact O-N 2.95Å; G791-R793 VanDerWaalsContact O-N 3.14Å
792P26.8Very low35.4Very low121 Ų121133.6 Ų133.679%0.78671%0.71SS**  trans-81.391.8-177.432.1-35.1000113I794P792-I794 PolarHBondContact O-N 3.11Å; P792-I794 VanDerWaalsContact O-N 3.13Å
793R25.7Very low33.4Very low251 Ų251137.8 Ų137.895%0.94774%0.739SS**  trans-76.594.4164.3-89-173.8169176.7-1.5111.1G791 K795G791-R793 PolarHBondContact O-N 2.95Å; G791-R793 VanDerWaalsContact O-N 3.14Å; R793-K795 PolarHBondContact O-N 2.84Å; R793-K795 VanDerWaalsContact O-N 3.08Å
794I26.3Very low31.2Very low159 Ų159138 Ų13882%0.81575%0.746SS**  trans-67.6101.9178.7-55173000111P792P792-I794 PolarHBondContact O-N 3.11Å; P792-I794 VanDerWaalsContact O-N 3.13Å
795K24.6Very low29.7Very low201 Ų201137.5 Ų137.587%0.87475%0.748SS**  trans-135.6138.4153.7-78-165.3175.1-178.10110.5R793R793-K795 PolarHBondContact O-N 2.84Å; R793-K795 VanDerWaalsContact O-N 3.08Å
796R24Very low28Very low246 Ų246148.1 Ų148.193%0.92879%0.786SS**  trans-68.4131.6-174.9-67.5172.3172.1145-4.7111.4
797L28.1Very low27Very low180 Ų180151.5 Ų151.594%0.94281%0.806SS**  trans-133.7108.7152.7-95.9162.7000107.5
798A24.6Very low26.2Very low107 Ų107153.4 Ų153.488%0.88481%0.806SS**  trans-112.1107.8174.100000107.8
799G26Very low25.6Very low69 Ų69153.3 Ų153.371%0.71182%0.816SS**  trans-147.8124.2178.200000108.9T801G799-T801 PolarHBondContact O-N 3.37Å
800S25.1Very low25.3Very low119 Ų119150.7 Ų150.783%0.83280%0.804SS**  trans-74.1120.3-170.2-170.20000111.6N802S800-N802 PolarHBondContact O-N 3.33Å
801T25.2Very low25.5Very low128 Ų128145.9 Ų145.979%0.78580%0.796SS**  trans-85.7106.3173.447.80000110.9G799G799-T801 PolarHBondContact O-N 3.37Å
802N24.5Very low25.7Very low150 Ų150148.3 Ų148.380%0.80280%0.795SS**  trans-92.4114.7161.6-89.1-4.8000109.1S800 A804S800-N802 PolarHBondContact O-N 3.33Å; N802-A804 PolarHBondContact O-N 3.31Å
803P31.6Very low26.1Very low130 Ų130145.3 Ų145.384%0.84478%0.775SS**  trans-87.194-176.333.4-33.2000111.9
804A23.5Very low26.3Very low81 Ų81140.1 Ų140.167%0.66976%0.761SS**  trans-144.9159.7166.100000110.3N802N802-A804 PolarHBondContact O-N 3.31Å
805T24.7Very low26.6Very low127 Ų127136.4 Ų136.478%0.77976%0.755SS**  trans5163176.252.10000115.3T807T805-T807 PolarHBondContact O-N 3.42Å
806R23Very low27Very low257 Ų257128.1 Ų128.197%0.9772%0.724SS**  trans-74.773.3165.6-165-179.4-167.9-173.23109.9R808R806-R808 PolarHBondContact O-N 3.45Å
807T24.6Very low27.6Very low122 Ų122117.3 Ų117.375%0.74868%0.684SS**PPolyproline II helixtrans-64.1126.2-179.342.90000111.2T805T805-T807 PolarHBondContact O-N 3.42Å
808R22.8Very low27.9Very low203 Ų203113.7 Ų113.777%0.76667%0.666SS**PPolyproline II helixtrans-61.3127.2178.9-170.1177.2-174.6175.61.6109.5R806R806-R808 PolarHBondContact O-N 3.45Å
809P24.5Very low28.3Very low115 Ų115111.5 Ų111.575%0.74764%0.635SS**PPolyproline II helixtrans-64.8139.5-179.926.2-33.6000110.6
810K25Very low28.4Very low144 Ų144114.6 Ų114.663%0.62663%0.631SS**PPolyproline II helixtrans-82.1142.9179.6-63.6-175.7178-172.40110.7
811S29.3Very low28.4Very low100 Ų100116.5 Ų116.570%0.69963%0.632SS**  trans30.390.4162.255.20000116.7T813S811-T813 PolarHBondContact O-N 3.11Å
812L29Very low28.3Very low104 Ų104117.5 Ų117.555%0.54563%0.632SS.*THydrogen-bonded Turntrans-66.84.2177.7-112.5149.7000115.2L776 E814 A816L776-L812 HydrophobicContact CD2-CD1 4.4Å; L812-E814 PolarHBondContact O-N 3.13Å; L812-A816 WeakPolarHBondContact O-CB 3.27Å; L812-A816 PolarHBondContact O-N 2.96Å
813T35.9Very low28.2Very low58 Ų58118 Ų11836%0.35664%0.635SS.*THydrogen-bonded Turntrans-64.6-38.8-163.1-26.90000114.3F734 S811 L817F734-T813 HydrophobicContact CZ-CG2 4.23Å; S811-T813 PolarHBondContact O-N 3.11Å; T813-L817 WeakPolarHBondContact O-CD1 3.44Å; T813-L817 WeakPolarHBondContact O-CG 3.42Å
814E30.8Very low27.9Very low142 Ų142118.6 Ų118.666%0.66463%0.63SS**THydrogen-bonded Turntrans-87.8-43.9-178.7-64.1-17313800112.4L812 A816 L817 N818L812-E814 PolarHBondContact O-N 3.13Å; E814-A816 PolarHBondContact O-N 2.67Å; E814-L817 PolarHBondContact O-N 2.96Å; E814-N818 PolarHBondContact O-N 3.18Å
815A31.7Very low27.9Very low82 Ų82121.6 Ų121.668%0.67864%0.64SS**THydrogen-bonded Turntrans-61.4-30.5-177.300000113L817A815-L817 VanDerWaalsContact C-N 3.32Å
816A32.8Very low27.9Very low27 Ų27121.5 Ų121.522%0.22364%0.639CS.*THydrogen-bonded Turntrans-78.7-9.1175.400000114.4L812 E814L812-A816 WeakPolarHBondContact O-CB 3.27Å; L812-A816 PolarHBondContact O-N 2.96Å; E814-A816 PolarHBondContact O-N 2.67Å
817L37.1Very low27.9Very low19 Ų19116.3 Ų116.310%0.09964%0.636CS.*THydrogen-bonded Turntrans-110.7-9.8-176.1-70.7178.6000114.3R730 F734 T813 E814 A815 Y819 W1113R730-L817 HydrophobicContact CG-CD1 4.37Å; F734-L817 HydrophobicContact CE2-CD1 4.07Å; F734-L817 HydrophobicContact CZ-CD1 4.34Å; T813-L817 WeakPolarHBondContact O-CD1 3.44Å; T813-L817 WeakPolarHBondContact O-CG 3.42Å; E814-L817 PolarHBondContact O-N 2.96Å; A815-L817 VanDerWaalsContact C-N 3.32Å; L817-Y819 PolarHBondContact O-N 2.9Å; L817-W1113 HydrophobicContact CD2-CZ2 3.7Å
818N34.2Very low27.8Very low104 Ų104115.3 Ų115.356%0.55664%0.64SS**  trans-74.691.2174.6-86.9-6.2000110.9E814 H820E814-N818 PolarHBondContact O-N 3.18Å; N818-H820 PolarHBondContact O-N 2.62Å
819Y34.2Very low27.7Very low60 Ų60111 Ų11124%0.23564%0.641CS.*  trans-71.525.2178.7-138.3-94.6000114Q722 K764 V765 M768 L817Q722-Y819 HydrophobicContact CG-CD1 3.74Å; Q722-Y819 HydrophobicContact CG-CE1 3.91Å; K764-Y819 HydrophobicContact CB-CE1 4.29Å; K764-Y819 WeakPolarHBondContact CB-OH 3.31Å; K764-Y819 HydrophobicContact CD-CE1 4.04Å; V765-Y819 WeakPolarHBondContact CA-OH 3.35Å; V765-Y819 WeakPolarHBondContact CG2-OH 3.39Å; V765-Y819 PolarHBondContact N-OH 3.34Å; V765-Y819 VanDerWaalsContact N-OH 3.11Å; M768-Y819 HydrophobicContact CE-CD2 4.47Å; M768-Y819 HydrophobicContact CE-CE2 3.99Å; M768-Y819 HydrophobicContact SD-CD2 3.82Å; M768-Y819 HydrophobicContact SD-CE2 3.69Å; L817-Y819 PolarHBondContact O-N 2.9Å
820H27.5Very low27.6Very low134 Ų134111.1 Ų111.162%0.6264%0.64SS**SBendtrans-134.6146.7-175.5-93.714.8000110.8N818N818-H820 PolarHBondContact O-N 2.62Å
821N25.1Very low27.4Very low160 Ų160110.7 Ų110.786%0.85665%0.65SS**  trans-51.5151.3-166-59-19.3000114.1
822D22Very low27.1Very low148 Ų148112.4 Ų112.479%0.79166%0.656SS**SBendtrans-47.7149.7-176.7-52.5-78.9000114.6
823N23.6Very low26.8Very low160 Ų160114.2 Ų114.286%0.85667%0.671SS**  trans114.860.1165.8-58.7-61.5000117.5
824I24.5Very low26.1Very low144 Ų144117.9 Ų117.974%0.73869%0.694SS**  trans-134.4132.8157.2-58.7-178.8000110.2T826I824-T826 HydrophobicContact CG2-CG2 4.28Å
825T23.9Very low25.5Very low144 Ų144120.7 Ų120.788%0.88370%0.7SS**  trans-117.6124.4168.844.40000110.5
826T24.4Very low25.3Very low125 Ų125124.6 Ų124.677%0.76771%0.708SS**  trans-116.4157.6-179.6310000112.5I824I824-T826 HydrophobicContact CG2-CG2 4.28Å
827T24.2Very low24.9Very low147 Ų147126.5 Ų126.590%0.90273%0.73SS**  trans-97.7160.2-166.340.70000113.8
828A21Very low24.4Very low101 Ų101132.1 Ų132.184%0.83577%0.766SS**  trans-90.1146.8-167.400000114.6
829S22.4Very low23.9Very low113 Ų113134.5 Ų134.579%0.7978%0.778SS**  trans-129.4167.8156.159.20000109.8
830T21.4Very low23.6Very low117 Ų117135.4 Ų135.472%0.71879%0.787SS**  trans-126.4123-162.246.60000114.7
831T21.4Very low23.6Very low135 Ų135132.3 Ų132.383%0.82878%0.784SS**  trans-135.7162.6153.627.90000109.6
832T21.9Very low23.7Very low137 Ų137130.9 Ų130.984%0.8478%0.776SS**  trans-129.7130.3-161.9-45.60000110.6
833T22.1Very low24.1Very low141 Ų141127.4 Ų127.487%0.86576%0.761SS**  trans-144.2149.8174.2-16.60000110.6
834T21.5Very low24.3Very low135 Ų135125.5 Ų125.583%0.82875%0.75SS**  trans-92.2161.3-157.9-42.60000113.6
835Y19.6Very low24.3Very low201 Ų201122.4 Ų122.479%0.78874%0.741SS**  trans-60.2136.1172.8-90.3-113.9000112.7
836I26.7Very low24.3Very low164 Ų164119.6 Ų119.684%0.84173%0.727SS**  trans-129.2142.5152.1-63.1-177.8000107.1
837G23.5Very low24.3Very low67 Ų67118.7 Ų118.769%0.69172%0.723SS**  trans-80.3173.9-178.500000113.9
838T26.6Very low24.3Very low138 Ų138117.6 Ų117.685%0.84772%0.719SS**  trans-90.6101.7-179.846.60000111.8
839D23.7Very low24.3Very low153 Ų153118 Ų11882%0.81871%0.71SS**  trans-152.8105.6162.8-87.1-51.4000109.6
840L28.4Very low24.3Very low80 Ų80117.8 Ų117.842%0.41971%0.707SS.*  trans-156.590.5177.9-158.492.6000111.9V843 L1100 Q1177L840-V843 HydrophobicContact CD2-CG2 4.28Å; L840-L1100 HydrophobicContact CD1-CB 4.22Å; L840-L1100 HydrophobicContact CD1-CD2 4.12Å; L840-L1100 HydrophobicContact CD2-CD2 3.52Å; L840-L1100 HydrophobicContact CG-CD2 4.46Å; L840-Q1177 PolarHBondContact O-NE2 2.69Å
841A27Very low24.3Very low68 Ų68121.5 Ų121.556%0.56271%0.709SS**  trans-93.2-20.9-166.100000116.7
842N28.2Very low24.4Very low130 Ų130120.3 Ų120.370%0.69570%0.703SS**  trans-109.223.9-153.5-69.4-12.3000116.9
843V29.2Very low24.6Very low76 Ų76117.9 Ų117.946%0.46169%0.692SS.*SBendtrans-97.9-17.9-179.3-178.80000113.6L840L840-V843 HydrophobicContact CD2-CG2 4.28Å
844L29.3Very low24.6Very low120 Ų120115.8 Ų115.863%0.62869%0.689SS**SBendtrans-123.75-178.5-64.6179.4000114.7F1178L844-F1178 HydrophobicContact CD1-CD1 3.44Å; L844-F1178 VanDerWaalsContact CD1-CD1 3.44Å; L844-F1178 HydrophobicContact CD1-CE1 3.62Å
845S24.1Very low24.8Very low78 Ų78115.8 Ų115.855%0.54568%0.683SS.*  trans-97.63-177.150.10000114.5
846S23.6Very low24.9Very low86 Ų86110.3 Ų110.360%0.60167%0.674SS**SBendtrans-61.3132163.455.90000109
847P23.7Very low24.7Very low105 Ų105107.7 Ų107.768%0.68267%0.666SS**  trans-51.8151.6175.7-26.334.4000111.2V849P847-V849 PolarHBondContact O-N 3Å
848P24Very low24.5Very low125 Ų125110.8 Ų110.881%0.81267%0.666SS**  trans-66.686.8179.528.5-34.9000110P850P848-P850 WeakPolarHBondContact O-CD 3.35Å; P848-P850 VanDerWaalsContact O-N 3.13Å
849V22Very low24.4Very low108 Ų108109.4 Ų109.466%0.65566%0.662SS**  trans-52.1119.1158.4178.80000105P847 Y851P847-V849 PolarHBondContact O-N 3Å; V849-Y851 PolarHBondContact O-N 3.06Å
850P21.9Very low24.3Very low110 Ų110109.1 Ų109.171%0.71466%0.659SS**  trans-70.788.5-179.628.5-33.4000107.7P848 P852P848-P850 WeakPolarHBondContact O-CD 3.35Å; P848-P850 VanDerWaalsContact O-N 3.13Å; P850-P852 WeakPolarHBondContact O-CD 3.41Å
851Y22.5Very low23.9Very low195 Ų195113 Ų11377%0.76567%0.674SS**  trans-55.5105.7151.2-80-82.1000105.2V849 S853V849-Y851 PolarHBondContact O-N 3.06Å; Y851-S853 PolarHBondContact O-N 3.08Å
852P22.5Very low23.7Very low109 Ų109116.6 Ų116.671%0.70868%0.679SS**  trans-59.4137-173.125.6-33.7000107.8P850 A854P850-P852 WeakPolarHBondContact O-CD 3.41Å; P852-A854 PolarHBondContact O-N 3.31Å
853S25.5Very low23.5Very low86 Ų86117.7 Ų117.760%0.60169%0.685SS**  trans-53.5114.6-173.842.10000109.7Y851 L855 S856Y851-S853 PolarHBondContact O-N 3.08Å; S853-L855 PolarHBondContact O-N 3.35Å; S853-S856 PolarHBondContact O-N 2.71Å; S853-S856 VanDerWaalsContact O-N 3.14Å; S853-S856 PolarHBondContact O-OG 2.84Å
854A23.2Very low23.2Very low97 Ų97119.5 Ų119.580%0.80270%0.701SS**THydrogen-bonded Turntrans-71.331.9-170.900000114.1P852P852-A854 PolarHBondContact O-N 3.31Å
855L24.9Very low22.9Very low135 Ų135120.2 Ų120.271%0.70771%0.705SS**THydrogen-bonded Turntrans-125.61.1177.3-64.3174.4000111.8S853S853-L855 PolarHBondContact O-N 3.35Å
856S23.5Very low22.9Very low86 Ų86123.8 Ų123.860%0.60172%0.718SS**  trans-122.153.1178.460.90000113S853S853-S856 PolarHBondContact O-N 2.71Å; S853-S856 VanDerWaalsContact O-N 3.14Å; S853-S856 PolarHBondContact O-OG 2.84Å
857V21Very low23Very low110 Ų110126.6 Ų126.667%0.66773%0.726SS**  trans-104.1104.2173-179.90000110.7
858L20.6Very low22.9Very low132 Ų132128.7 Ų128.769%0.69173%0.732SS**  trans42.9122.6149.2-66.3166.5000120.4
859S24Very low23Very low109 Ų109129.4 Ų129.476%0.76273%0.729SS**  trans-53.8137.8154.448.90000112.7
860I21.1Very low23Very low147 Ų147132 Ų13275%0.75474%0.738SS**  trans-116.7145.4164.6-67.6179.8000108.8
861H20.2Very low23Very low160 Ų160131.4 Ų131.474%0.74174%0.742SS**  trans-74.4164.1-168.6-100.5-104.3000115.8
862Q23.5Very low23Very low145 Ų145126.3 Ų126.368%0.67874%0.735SS**  trans-33.1150.1162.5-56.2146.6-65.700115.7
863N22.8Very low23.5Very low153 Ų153127.7 Ų127.782%0.81874%0.742SS**  -178147.2113-88.5-27000111.6
864S22.8Very low23.4Very low113 Ų113130.4 Ų130.479%0.7976%0.755SS**  trans58.1128.8173.4-86.40000116.8
865L23.7Very low23.4Very low136 Ų136133 Ų13371%0.71276%0.756SS**  cis51.487.422.4-94.4168.8000112.6
866D24.6Very low23.2Very low152 Ų152131.1 Ų131.181%0.81375%0.754SS**  -149.5151.487.9-77.9-33.3000110.7
867D24.1Very low23.2Very low146 Ų146134.7 Ų134.778%0.78176%0.764SS**  trans-77.2157.9172.6-74.7-71.3000111
868D23.6Very low23.2Very low149 Ų149137.4 Ų137.480%0.79777%0.77SS**  -166.9152117.9-127.4-26000115.7
869N25.2Very low23.2Very low140 Ų140138.9 Ų138.975%0.74978%0.777SS**  trans103.349.9169.1-61.3-83.5000119.1A871N869-A871 PolarHBondContact O-N 3.13Å
870L21.7Very low23.1Very low161 Ų161141.2 Ų141.284%0.84378%0.776SS**  trans-78.887.3152.9-164.487.1000110.2S872L870-S872 VanDerWaalsContact C-N 3.28Å; L870-S872 PolarHBondContact O-N 3.34Å
871A22.6Very low23.2Very low98 Ų98142.4 Ų142.481%0.8178%0.783SS**  trans-75.962.5-173.300000115N869N869-A871 PolarHBondContact O-N 3.13Å
872S22.4Very low23.3Very low88 Ų88139.9 Ų139.962%0.61578%0.783SS**  trans-178.3104.9153.152.90000113.4L870L870-S872 VanDerWaalsContact C-N 3.28Å; L870-S872 PolarHBondContact O-N 3.34Å
873T32.8Very low23.3Very low138 Ų138138 Ų13885%0.84779%0.786SS**  167.199.6125.739.70000110.2
874T22.6Very low23.4Very low144 Ų144139.3 Ų139.388%0.88379%0.787SS**  trans-142.587.8168.352.10000110.3
875D22.8Very low23.3Very low151 Ų151142.3 Ų142.381%0.80779%0.789SS**  trans-139.994.7148.3-140.9-19.9000110.1
876S21.4Very low23.4Very low96 Ų96144 Ų14467%0.67180%0.799SS**  trans48.795.1136.3-430000119
877I23.2Very low23.4Very low161 Ų161142.4 Ų142.483%0.82680%0.799SS**  -166.1122.1119-97151.2000109.4
878E21.3Very low23.3Very low167 Ų167144.9 Ų144.978%0.7881%0.806SS**  trans-82.7139.5170.4-62.4168105.600110.3
879L21.8Very low23.4Very low162 Ų162147.2 Ų147.285%0.84881%0.81SS**  trans-132.699.9156.7-90.1175.2000109.9L881L879-L881 PolarHBondContact O-N 3.41Å
880H21.7Very low23.4Very low158 Ų158152 Ų15273%0.73182%0.817SS**  trans-55.8116.9172.5-96.4-95.1000111.9
881L23.1Very low23.6Very low172 Ų172154.8 Ų154.890%0.90182%0.823SS**  trans-140.686.1150.4-82.1-174.4000110.6L879L879-L881 PolarHBondContact O-N 3.41Å
882S21.4Very low23.7Very low107 Ų107155 Ų15575%0.74882%0.824SS**  trans-82.1117.1169.952.50000111.2
883S24.8Very low23.9Very low106 Ų106155.5 Ų155.574%0.74183%0.834SS**  trans-157.2113.4160.643.70000113.3
884Q23.5Very low23.6Very low180 Ų180154.3 Ų154.384%0.84183%0.831SS**  trans30.6117153.6-63.1-179.9-69.500121.2
885E22Very low23.8Very low177 Ų177154.6 Ų154.683%0.82783%0.827SS**  trans-2.7119.4130.6-54.7170.7119.700116.7
886N23.8Very low24Very low171 Ų171155.7 Ų155.791%0.91483%0.828SS**  trans-174.974.6143.9-106.6-63.9000112.5
887S24.6Very low24.2Very low118 Ų118159.2 Ų159.283%0.82584%0.838SS**  trans-147.16.6174.660.40000116.4K889S887-K889 PolarHBondContact O-N 3.1Å
888Q23.7Very low24.5Very low198 Ų198160.6 Ų160.693%0.92584%0.838SS**  trans-74.262.3171.3-74.5-171.1-1500112.7
889K25.8Very low24.7Very low199 Ų199158.2 Ų158.287%0.86584%0.835SS**  trans-140.761.1170.1-75.3-164.2176.1-178.60112.5S887S887-K889 PolarHBondContact O-N 3.1Å
890R25.1Very low24.8Very low239 Ų239159.2 Ų159.290%0.90284%0.841SS**SBendtrans-150.324.7166.9-116.8169.2-165.71763.9116.4
891F24.6Very low25Very low220 Ų220160.9 Ų160.997%0.96584%0.84SS**  trans-127.562.3169.8-86.7-77.3000111.2
892A25.8Very low25.2Very low102 Ų102159.3 Ų159.384%0.84383%0.833SS**  trans-152.865.6178.700000111.1
893A26.6Very low25.4Very low99 Ų99162.2 Ų162.282%0.81884%0.84SS**SBendtrans-15117.8-179.700000114.3
894S26.2Very low25.4Very low114 Ų114163.8 Ų163.880%0.79784%0.84SS**SBendtrans-139.216.6-173.7-167.40000114.7
895N26.9Very low25.5Very low149 Ų149162.5 Ų162.580%0.79784%0.839SS**  trans-127.72.3178.5-92-25.1000114.3L897N895-L897 PolarHBondContact O-N 3.01Å
896E26.1Very low25.7Very low175 Ų175161.1 Ų161.182%0.81884%0.843SS**THydrogen-bonded Turntrans-78.645.9178.1-63.3-168.4140.400113
897L25.8Very low25.5Very low170 Ų170164.8 Ų164.889%0.8984%0.844SS**THydrogen-bonded Turntrans-13519.7172.6-116.7168.6000112.9N895N895-L897 PolarHBondContact O-N 3.01Å
898K29.3Very low25.5Very low189 Ų189168 Ų16882%0.82285%0.846SS**SBendtrans-126.56.7170.3-77.9-170.1172.7-178.50114.7
899T26.9Very low25.5Very low117 Ų117163.9 Ų163.972%0.71884%0.838SS**  trans-107.534.7-178.243.70000114
900L23.5Very low25.3Very low184 Ų184162.6 Ų162.696%0.96384%0.839SS**  trans-123.256.9161.5-82.9170.9000109.7
901R25.6Very low25.2Very low193 Ų193159.2 Ų159.273%0.72883%0.833SS**  trans-148.866.2178.4-160.7-173.8-158.9-144.57.4111.6
902N26.6Very low25.1Very low139 Ų139157.6 Ų157.674%0.74383%0.825SS**  trans-171.382.2155.1-101.7-11.3000111
903D25.7Very low24.9Very low167 Ų167163.5 Ų163.589%0.89383%0.826SS**  trans-136.374.6156.4-102.7-42.5000108N905D903-N905 PolarHBondContact O-N 3.49Å
904N24.8Very low24.7Very low139 Ų139164.2 Ų164.274%0.74382%0.82SS**  trans-74.487.4178.2-78.2-26.3000110
905N25.8Very low24.5Very low154 Ų154167 Ų16782%0.82482%0.818SS**  trans-176.480.8149.3-94.9-34.8000114.2D903D903-N905 PolarHBondContact O-N 3.49Å
906T26.6Very low24.3Very low147 Ų147166.8 Ų166.890%0.90282%0.817SS**  trans-171.898.3138.413.70000110.4
907R20.5Very low24.1Very low248 Ų248164.9 Ų164.994%0.93682%0.818SS**  trans-102.283.2-179.6-167.8-177.1-166.2168.35.6110.1
908Q24Very low24Very low186 Ų186164 Ų16487%0.86981%0.812SS**  trans-116135.8162.5-79.3-173.9-29.800109.2
909C22.8Very low23.6Very low112 Ų112160.3 Ų160.376%0.75781%0.811SS**  trans-75.6155-171.7-66.90000111.7E911C909-E911 VanDerWaalsContact C-N 3.28Å; C909-E911 PolarHBondContact O-N 3.31Å
910I21.9Very low23.4Very low172 Ų172159.4 Ų159.488%0.88281%0.809SS**  trans-69.690.7165.4-59.1171.4000107.1
911E22.9Very low23.3Very low167 Ų167159.8 Ų159.878%0.7880%0.803SS**  trans-66.6142.5165.4-70-167.3132.100109.5C909 W913C909-E911 VanDerWaalsContact C-N 3.28Å; C909-E911 PolarHBondContact O-N 3.31Å; E911-W913 PolarHBondContact O-N 2.93Å
912K23.5Very low23.2Very low186 Ų186157 Ų15781%0.80980%0.803SS**  trans-64.5131.8-174.3-65.7178.9176.6-176.90110T914K912-T914 VanDerWaalsContact C-N 3.25Å; K912-T914 PolarHBondContact O-N 2.88Å
913W21.8Very low23.1Very low227 Ų227160.9 Ų160.986%0.8681%0.808SS**  trans-73.878.6170.6-78.628.2000110.7E911 F915E911-W913 PolarHBondContact O-N 2.93Å; W913-F915 AromaticContact CE3-CE2 3.95Å; W913-F915 HydrophobicContact CE3-CE2 3.95Å; W913-F915 HydrophobicContact CZ3-CE2 4.41Å; W913-F915 PolarHBondContact O-N 3.03Å
914T21.9Very low23Very low114 Ų114158.9 Ų158.970%0.69980%0.802SS**  trans-78.5108.216445.60000108.9K912 D916K912-T914 VanDerWaalsContact C-N 3.25Å; K912-T914 PolarHBondContact O-N 2.88Å; T914-D916 PolarHBondContact O-N 3.47Å
915F22Very low22.9Very low171 Ų171159.2 Ų159.275%0.7580%0.803SS**  trans-78.2112.2173.6-99.4-88.1000110.1W913 T917W913-F915 AromaticContact CE3-CE2 3.95Å; W913-F915 HydrophobicContact CE3-CE2 3.95Å; W913-F915 HydrophobicContact CZ3-CE2 4.41Å; W913-F915 PolarHBondContact O-N 3.03Å; F915-T917 PolarHBondContact O-N 3.42Å
916D21.8Very low23Very low145 Ų145159 Ų15978%0.77580%0.802SS**  trans-64.8115179.6-85.4-44.4000112.2T914 I918T914-D916 PolarHBondContact O-N 3.47Å; D916-I918 PolarHBondContact O-N 3.33Å
917T22.1Very low22.8Very low135 Ų135157.7 Ų157.783%0.82879%0.789SS**  trans-82.773.7-175.9-500000111.6F915 S919F915-T917 PolarHBondContact O-N 3.42Å; T917-S919 PolarHBondContact O-N 3.39Å; T917-S919 VanDerWaalsContact O-N 3.08Å
918I23.3Very low23Very low151 Ų151152.5 Ų152.577%0.77478%0.78SS**  trans-71.6102.9178.1-60.4-179.5000110.6D916D916-I918 PolarHBondContact O-N 3.33Å
919S22Very low23Very low113 Ų113149.8 Ų149.879%0.7977%0.771SS**  trans-96.1112.8178.171.20000113.4T917T917-S919 PolarHBondContact O-N 3.39Å; T917-S919 VanDerWaalsContact O-N 3.08Å
920S22.9Very low23.1Very low98 Ų98150.2 Ų150.269%0.68577%0.766SS**  trans-160.5108.3161.450.10000108.2
921K21.3Very low23.2Very low191 Ų191149.3 Ų149.383%0.8376%0.763SS**  54.5106.866.4-81.1-171.6174175.90115.1
922N23.8Very low23.4Very low135 Ų135145 Ų14572%0.72276%0.764SS**  trans66.4121.6148.5-56.95.3000118.9
923Y24.3Very low23.5Very low221 Ų221143.6 Ų143.687%0.86777%0.765SS**  174.8107124.1-86.4-64.6000104.2
924V22.1Very low23.5Very low124 Ų124138.5 Ų138.575%0.75276%0.759SS**  65.1134.783.1178.30000111.9
925L24.4Very low23.7Very low147 Ų147139.3 Ų139.377%0.7776%0.763SS**  trans-38.3146.7-172-62.472.9000115
926D26.5Very low23.8Very low150 Ų150138.3 Ų138.380%0.80276%0.761SS**  -147.4163.3111.1-134.2-31.4000112.8
927N23.1Very low23.8Very low118 Ų118136.8 Ų136.863%0.63176%0.761SS**  trans-84.4153.4178.7-59.9-83.8000111.3
928N24.9Very low23.8Very low139 Ų139139.7 Ų139.774%0.74376%0.759SS**  165.8132109.7-83.4-53.7000113.3
929N23.8Very low23.8Very low129 Ų129140.3 Ų140.369%0.6976%0.761SS**  trans57.3124.8137.3-67.627000123.8
930D24.6Very low24Very low122 Ų122139.2 Ų139.265%0.65275%0.752SS**  80110.9128.8-67.7-42.1000122.6
931N25.4Very low24.2Very low152 Ų152140.8 Ų140.881%0.81376%0.76SS**  59101.2129.4-54-43.8000119.5
932G25.2Very low24.4Very low77 Ų77142.9 Ų142.979%0.79476%0.763SS**  trans-157.452.4178.200000116.9
933N25.8Very low24.4Very low157 Ų157143.6 Ų143.684%0.8477%0.771SS**  trans44.8109165.4-73.8-14.8000119.9V935N933-V935 PolarHBondContact O-N 3.21Å
934V23.1Very low24.4Very low120 Ų120137.4 Ų137.473%0.72776%0.76SS**  trans-54.5128.7156.8174.80000111.1H936V934-H936 HydrophobicContact CG1-CB 4.47Å; V934-H936 VanDerWaalsContact CG1-CD2 3.41Å; V934-H936 WeakPolarHBondContact CG1-CD2 3.49Å
935V24.5Very low24.5Very low131 Ų131136.6 Ų136.679%0.79476%0.76SS**  trans-114.889.8166.6-178.40000109N933 S937N933-V935 PolarHBondContact O-N 3.21Å; V935-S937 PolarHBondContact O-N 2.69Å
936H24.2Very low24.6Very low150 Ų150137.1 Ų137.169%0.69476%0.762SS**  trans-79.7104173.4-87.3-55.7000111.1V934 Y938V934-H936 HydrophobicContact CG1-CB 4.47Å; V934-H936 VanDerWaalsContact CG1-CD2 3.41Å; V934-H936 WeakPolarHBondContact CG1-CD2 3.49Å; H936-Y938 VanDerWaalsContact C-N 3.3Å; H936-Y938 AromaticContact ND1-CD2 3.96Å; H936-Y938 PolarHBondContact O-N 3.47Å
937S23.2Very low24.5Very low113 Ų113136.8 Ų136.879%0.7976%0.76SS**  trans-90.654.9167.163.40000112V935V935-S937 PolarHBondContact O-N 2.69Å
938Y22.4Very low24.6Very low196 Ų196134.9 Ų134.977%0.76977%0.768SS**  trans-83.1116.9168.4-98.2-82.2000109.7H936 P940H936-Y938 VanDerWaalsContact C-N 3.3Å; H936-Y938 AromaticContact ND1-CD2 3.96Å; H936-Y938 PolarHBondContact O-N 3.47Å; Y938-P940 WeakPolarHBondContact O-CD 3.47Å
939I22.8Very low24.5Very low163 Ų163133.6 Ų133.684%0.83677%0.766SS**  trans-111.691.9167.5-58-179.4000107.7
940P26.9Very low24.6Very low91 Ų91134.9 Ų134.959%0.59177%0.767SS**  trans-74.3152176.331.2-34.7000111.1Y938 R942Y938-P940 WeakPolarHBondContact O-CD 3.47Å; P940-R942 PolarHBondContact O-N 3.42Å
941P27.1Very low24.7Very low131 Ų131135.6 Ų135.685%0.85177%0.771SS**  trans-68.5104.9-17928-34.3000110.8V943P941-V943 PolarHBondContact O-N 2.97Å
942R24.1Very low24.6Very low235 Ų235136.7 Ų136.789%0.88777%0.771SS**  trans-74.9112.2171.2-98.4-176.2169.8164.5-1.6110.2P940 S944P940-R942 PolarHBondContact O-N 3.42Å; R942-S944 PolarHBondContact O-N 3.23Å; R942-S944 VanDerWaalsContact O-N 3.15Å
943V24.9Very low24.7Very low150 Ų150138.6 Ų138.691%0.90977%0.772SS**  trans-60.1111.9159.3178.30000107.9P941P941-V943 PolarHBondContact O-N 2.97Å
944S24.3Very low24.5Very low91 Ų91137.2 Ų137.264%0.63677%0.765SS**  trans-120108173.459.70000109.9R942 I946R942-S944 PolarHBondContact O-N 3.23Å; R942-S944 VanDerWaalsContact O-N 3.15Å; S944-I946 PolarHBondContact O-N 3.15Å
945S23.5Very low24.5Very low106 Ų106139.8 Ų139.874%0.74177%0.774SS**  trans-52.4122.116849.30000111.2
946I27.1Very low24.5Very low158 Ų158142.1 Ų142.181%0.8178%0.776SS**  trans-99.7115.9164.6-65.6179.8000107.2S944 G948S944-I946 PolarHBondContact O-N 3.15Å; I946-G948 PolarHBondContact O-N 3.24Å
947N22.9Very low24.3Very low143 Ų143143.5 Ų143.577%0.76579%0.785SS**  trans-73.2110.1176.6-68.3-19.2000109.6
948G26.7Very low24.3Very low78 Ų78143.6 Ų143.680%0.80479%0.786SS**  trans-95.296.4161.500000109.6I946I946-G948 PolarHBondContact O-N 3.24Å
949T22.6Very low24.2Very low112 Ų112138.8 Ų138.869%0.68778%0.781SS**  trans-84.9161.816847.60000110.6
950H25.7Very low24.3Very low157 Ų157138.4 Ų138.473%0.72778%0.78SS**  trans81.5127.8-174.2-58.4-73.2000114.5
951D26.7Very low24.2Very low136 Ų136141 Ų14173%0.72779%0.789SS**  cis-140.6155.4-2-90.2-39.8000112.6S953D951-S953 PolarHBondContact O-N 3.17Å
952E23.2Very low24Very low175 Ų175143.2 Ų143.282%0.81879%0.793SS**  trans-70.3121.5174.3-63.1-175152.900111.4
953S26.5Very low23.9Very low117 Ų117137.7 Ų137.782%0.81879%0.785SS**  trans-125.890.6162.239.60000109.3D951 L955D951-S953 PolarHBondContact O-N 3.17Å; S953-L955 PolarHBondContact O-N 2.87Å
954N23Very low23.8Very low129 Ų129138.3 Ų138.369%0.6978%0.778SS**  trans-61.6118.3-179.4-76.1-72000111.9
955L23.3Very low23.7Very low174 Ų174141 Ų14191%0.91179%0.791SS**  trans-141.585.3153.2-98.4172000109S953S953-L955 PolarHBondContact O-N 2.87Å
956Q23.2Very low23.7Very low180 Ų180144.9 Ų144.984%0.84179%0.79SS**  trans-67.6161.3170.7-79.3-173.2-30.100111.5S958Q956-S958 PolarHBondContact O-N 3.4Å
957M21.3Very low23.6Very low179 Ų179140.6 Ų140.688%0.88279%0.786SS**  trans-49.7135.2176.7-64.3171.261.200113.3
958S22.3Very low23.6Very low115 Ų115141 Ų14180%0.80479%0.788SS**  trans-131.4101.2146.164.70000109.4Q956Q956-S958 PolarHBondContact O-N 3.4Å
959S21.1Very low23.6Very low94 Ų94146.6 Ų146.666%0.65779%0.793SS**  trans-61.7141.9158.8500000109.8
960N25Very low23.6Very low155 Ų155145.2 Ų145.283%0.82979%0.792SS**  trans-165.8141.7145.5-95.4-23000109.5
961D24.2Very low23.5Very low145 Ų145144.5 Ų144.578%0.77579%0.794SS**  trans-74.6137.5-174.4-51.8-85.1000112.6
962L22.1Very low23.5Very low178 Ų178147.3 Ų147.393%0.93280%0.802SS**  trans-137.672.2162.6-76.6-179.3000110.1
963T22Very low23.4Very low119 Ų119145.7 Ų145.773%0.7380%0.799SS**  trans-66.6141.7162.343.90000111.2
964E23.1Very low23.3Very low163 Ų163145.7 Ų145.776%0.76280%0.799SS**  trans54.297.3157.8-59.2-168.7142.700118.7
965V23Very low23.3Very low148 Ų148150.7 Ų150.790%0.89781%0.808SS**  trans-122.298.6145.8-178.70000108.9G967V965-G967 PolarHBondContact O-N 3.23Å
966Y22.5Very low23.2Very low187 Ų187148.1 Ų148.173%0.73381%0.805SS**  trans-65.4123.7172.2-100.9-96.4000110.7N968Y966-N968 PolarHBondContact O-N 2.91Å
967G25Very low23.1Very low69 Ų69146.6 Ų146.671%0.71180%0.801SS**  trans-71.981.1177.500000113V965 H969V965-G967 PolarHBondContact O-N 3.23Å; G967-H969 PolarHBondContact O-N 3.08Å
968N23Very low23Very low152 Ų152143.3 Ų143.381%0.81380%0.796SS**  trans-67.992.7175.7-82.7-48.6000111.9Y966 A970Y966-N968 PolarHBondContact O-N 2.91Å; N968-A970 PolarHBondContact O-N 2.92Å
969H26Very low23.1Very low194 Ų194146.3 Ų146.390%0.89880%0.797SS**  trans-72120.2164.3-90.3-81.6000110.4G967G967-H969 PolarHBondContact O-N 3.08Å
970A24.2Very low23Very low83 Ų83148.6 Ų148.669%0.68680%0.801SS**  trans-86.2142.5-169.400000114N968N968-A970 PolarHBondContact O-N 2.92Å
971L22.1Very low22.8Very low143 Ų143149.1 Ų149.175%0.74980%0.803SS**  trans43.3102.9141-64.2168.5000118.2
972H27.6Very low22.6Very low194 Ų194146.7 Ų146.790%0.89880%0.797SS**  trans-124.2125.2136.9-111-92000110.3
973N22.2Very low22.6Very low142 Ų142145 Ų14576%0.75979%0.789SS**  trans-82.7121.1-177-77.9-59000111.5
974S23Very low22.7Very low117 Ų117147.7 Ų147.782%0.81879%0.794SS**  trans-140.799154.946.60000109.1
975R23.3Very low22.6Very low233 Ų233148.2 Ų148.288%0.87980%0.802SS**  trans-67.7138.2178.8-87.2-177.7171.1168.3-3.3110.7I977R975-I977 PolarHBondContact O-N 3.01Å
976S20.6Very low22.6Very low121 Ų121149.8 Ų149.885%0.84680%0.799SS**  trans-55118.3159.2530000110.8
977I22.2Very low22.6Very low147 Ų147145.4 Ų145.475%0.75480%0.796SS**  trans-126.1118.5154.4-65.7-176.7000106.7R975R975-I977 PolarHBondContact O-N 3.01Å
978S19Very low22.4Very low111 Ų111147.2 Ų147.278%0.77678%0.784SS**  trans-68.3134.6170.848.70000110.4
979H23.3Very low22.4Very low178 Ų178146 Ų14682%0.82477%0.774SS**  trans-143.9130158.4-123.1-74.7000109.6
980D19.4Very low22.1Very low142 Ų142143.4 Ų143.476%0.75976%0.76SS**  trans-65.9143.4175.6-54.6-86.6000111.3
981L22.2Very low21.9Very low166 Ų166145.3 Ų145.387%0.86976%0.759SS**  -172.2149.9105.8-97.1164.8000111.8
982S19.8Very low22Very low93 Ų93144.1 Ų144.165%0.6576%0.757SS**  trans-73.6141.2177.1540000112.7
983N21.4Very low21.7Very low142 Ų142141.5 Ų141.576%0.75976%0.755SS**  -163.6132117.3-100.4-29.5000115.8
984Q23Very low21.8Very low176 Ų176140.9 Ų140.982%0.82276%0.756SS**  trans-0.3126.4156.5-52.9178.68.300119.4
985N22.3Very low21.7Very low175 Ų175144.9 Ų144.994%0.93676%0.759SS**  trans-160.576.1149.5-102.1-41.7000110.7
986E21.7Very low21.7Very low181 Ų181139.5 Ų139.585%0.84676%0.757SS**  trans-105138.9168.6-90.4-147.4132.400112.2K988E986-K988 PolarHBondContact O-N 3.09Å
987S22.4Very low21.6Very low94 Ų94142.2 Ų142.266%0.65776%0.756SS**  trans-93.4104.8-165.448.10000113.5K2368S987-K2368 VanDerWaalsContact O-CD 3.24Å; S987-K2368 WeakPolarHBondContact O-CD 3.48Å; S987-K2368 PolarHBondContact O-NZ 3.1Å
988K21.8Very low21.7Very low107 Ų107141.8 Ų141.847%0.46576%0.761SS.*  trans-58136.8174.5-65.6-165.9-177.8-157.90112.1E986 M2366 Y2367E986-K988 PolarHBondContact O-N 3.09Å; K988-M2366 HydrophobicContact CB-CE 3.72Å; K988-M2366 HydrophobicContact CD-CB 3.51Å; K988-M2366 HydrophobicContact CD-CE 4Å; K988-M2366 HydrophobicContact CD-SD 4.28Å; K988-M2366 HydrophobicContact CG-CE 4.48Å; K988-M2366 PolarHBondContact NZ-O 2.83Å; K988-Y2367 WeakPolarHBondContact CD-O 3.48Å; K988-Y2367 WeakPolarHBondContact CE-O 3.37Å; K988-Y2367 WeakPolarHBondContact CG-O 3.36Å; K988-Y2367 PolarHBondContact NZ-O 3.17Å
989Q22.2Very low21.8Very low128 Ų128141.9 Ų141.960%0.59876%0.761SS**  trans-150.9148.3-174.9-169.9-177.83.400109.5Y2367 K2368Q989-Y2367 VanDerWaalsContact O-CD1 3.31Å; Q989-Y2367 WeakPolarHBondContact O-CD1 3.49Å; Q989-K2368 HydrophobicContact CB-CD 4.34Å
990F21.3Very low21.9Very low139 Ų139141 Ų14161%0.6176%0.761SS**  trans-84.7135.6-160.2-85.4-120.1000115.7Y2367F990-Y2367 HydrophobicContact CB-CE2 4.04Å; F990-Y2367 AromaticContact CD1-CE2 3.59Å; F990-Y2367 HydrophobicContact CD1-CE2 3.59Å; F990-Y2367 AromaticContact CD1-CZ 3.83Å; F990-Y2367 VanDerWaalsContact CD1-OH 3.29Å; F990-Y2367 WeakPolarHBondContact CD1-OH 3.27Å; F990-Y2367 AromaticContact CD2-CD2 3.98Å; F990-Y2367 HydrophobicContact CD2-CD2 3.98Å; F990-Y2367 AromaticContact CD2-CE2 3.52Å; F990-Y2367 HydrophobicContact CD2-CE2 3.52Å; F990-Y2367 AromaticContact CE1-CE2 3.84Å; F990-Y2367 HydrophobicContact CE1-CE2 3.84Å; F990-Y2367 HydrophobicContact CE2-CD2 4.2Å; F990-Y2367 AromaticContact CE2-CE2 3.77Å; F990-Y2367 HydrophobicContact CE2-CE2 3.77Å; F990-Y2367 HydrophobicContact CG-CD2 4.27Å; F990-Y2367 AromaticContact CG-CE2 3.41Å; F990-Y2367 HydrophobicContact CG-CE2 3.41Å; F990-Y2367 VanDerWaalsContact CG-CE2 3.41Å; F990-Y2367 AromaticContact CG-CZ 3.78Å; F990-Y2367 AromaticContact CZ-CE2 3.92Å; F990-Y2367 HydrophobicContact CZ-CE2 3.92Å
991N20.1Very low22.1Very low122 Ų122139.7 Ų139.765%0.65276%0.762SS**  trans-116.8105.4164-67.6-22000108.7Y2367N991-Y2367 HydrophobicContact CB-CE1 3.94Å; N991-Y2367 PolarHBondContact N-OH 2.71Å; N991-Y2367 PolarHBondContact O-OH 3.24Å
992V23.5Very low22.2Very low118 Ų118140.8 Ų140.872%0.71576%0.763SS**  trans-107.9104.9166.1178.80000108.6V994V992-V994 HydrophobicContact CG1-CG2 4.22Å; V992-V994 PolarHBondContact O-N 2.71Å
993T20.9Very low22.4Very low140 Ų140141.2 Ų141.286%0.85977%0.766SS**  trans-77110.1173.633.90000110.7
994V23.4Very low22.4Very low128 Ų128146.1 Ų146.178%0.77677%0.774SS**  trans-107.8136.6163.3-178.30000108.6V992V992-V994 HydrophobicContact CG1-CG2 4.22Å; V992-V994 PolarHBondContact O-N 2.71Å
995K22.5Very low22.5Very low202 Ų202149 Ų14988%0.87878%0.777SS**  trans-70.7140.1-176.1-66.4175.8-179.6174.60110.9E997K995-E997 PolarHBondContact O-N 3.21Å
996S22Very low22.5Very low120 Ų120148.5 Ų148.584%0.83977%0.772SS**  trans-80.3104.5178.2550000111.8
997E19.8Very low22.5Very low178 Ų178145.9 Ų145.983%0.83277%0.773SS**  trans-144.2102.6159.1-135.4160.7-140.600111.5K995K995-E997 PolarHBondContact O-N 3.21Å
998T23.8Very low22.5Very low138 Ų138145.6 Ų145.685%0.84777%0.771SS**  trans43.392.5156.956.20000120
999S21.9Very low22.7Very low112 Ų112147 Ų14778%0.78379%0.788SS**  trans-147.5113.8143.350.50000113.2
1000I24.2Very low22.7Very low160 Ų160147.6 Ų147.682%0.82179%0.785SS**  trans16.7106153-52.3171.1000116.7E1002I1000-E1002 HydrophobicContact CG2-CG 4.02Å
1001S23Very low22.8Very low114 Ų114145.8 Ų145.880%0.79777%0.774SS**  trans-109.884.9170.744.60000112.3S1003S1001-S1003 PolarHBondContact O-N 3.03Å
1002E24.3Very low22.9Very low190 Ų190144.4 Ų144.489%0.88878%0.779SS**  trans-72.159.2170.4-69.5-167.6132.600112.5I1000I1000-E1002 HydrophobicContact CG2-CG 4.02Å
1003S24.1Very low22.9Very low102 Ų102143.2 Ų143.271%0.71377%0.773SS**  trans-15776.4164.2-1600000112.8S1001S1001-S1003 PolarHBondContact O-N 3.03Å
1004R22.9Very low23.1Very low245 Ų245138.6 Ų138.693%0.92575%0.746SS**  trans-119.9102.3149.9-77.4-166.1175.1-158-1.7108.5
1005R23.4Very low23.1Very low235 Ų235134.3 Ų134.389%0.88772%0.718SS**  trans-48141.8170.1-87.7176.9158.1142.4-7.9110.2S1007R1005-S1007 PolarHBondContact O-N 3.36Å
1006M22.8Very low23.3Very low166 Ų166126.2 Ų126.282%0.81868%0.684SS**  trans-74.179.2-175.7-67.1-150.9-56.300113.1S1008M1006-S1008 PolarHBondContact O-N 3.2Å
1007S22.2Very low23.6Very low126 Ų126121 Ų12188%0.88165%0.647SS**  trans-7652.3161.649.60000111.5R1005R1005-S1007 PolarHBondContact O-N 3.36Å
1008S22.6Very low23.8Very low88 Ų88113 Ų11362%0.61561%0.61SS**  trans-127.238.2-173.955.70000113.1M1006M1006-S1008 PolarHBondContact O-N 3.2Å
1009V24.8Very low23.8Very low135 Ų135109.3 Ų109.382%0.81858%0.583SS**  trans-10285.8172.7-175.80000109.4
1010R22.6Very low24Very low141 Ų141105.5 Ų105.553%0.53256%0.555SS.*  trans-143.3124.6167.4-80.3-165.2167.3153-5.6112.7S1568R1010-S1568 PolarHBondContact NH1-O 3.42Å; R1010-S1568 PolarHBondContact NH1-OG 3.03Å; R1010-S1568 PolarHBondContact NH2-O 2.82Å; R1010-S1568 PolarHBondContact NH2-OG 3.31Å
1011R23.5Very low24Very low102 Ų102102.2 Ų102.239%0.38554%0.542SS..  trans48.2105163.8-50.9-170.5-155104.81.6117.6T1569 M1570 T1571R1011-T1569 VanDerWaalsContact NH2-C 3.3Å; R1011-T1569 PolarHBondContact NH2-O 3.43Å; R1011-M1570 PolarHBondContact NH2-O 2.99Å; R1011-T1571 WeakPolarHBondContact CD-OG1 3.48Å; R1011-T1571 VanDerWaalsContact CZ-OG1 3.31Å; R1011-T1571 PolarHBondContact NE-OG1 3.35Å
1012A23.4Very low24.1Very low92 Ų92101 Ų10176%0.7652%0.522SS*.  trans-117109.5141.700000106.3
1013T23.2Very low24Very low94 Ų94101.4 Ų101.458%0.57752%0.521SS*.  trans-132.875.5-172.446.70000108.7
1014S24.1Very low24Very low43 Ų43104 Ų10430%0.30153%0.527SS..  trans-152.191.7-177.142.20000109.5E788E788-S1014 WeakPolarHBondContact OE1-CB 3.49Å; E788-S1014 WeakPolarHBondContact OE2-CB 3.4Å; E788-S1014 PolarHBondContact OE2-OG 2.97Å
1015E25.1Very low24.2Very low37 Ų37100.6 Ų100.617%0.17353%0.527CS..  trans-132123.8-170.9-66.5-163.6-157.600113.8R1216 R1256E1015-R1216 VanDerWaalsContact CD-NE 3.32Å; E1015-R1216 IonicContact OE1-CZ 3.73Å; E1015-R1216 IonicContact OE1-NE 2.99Å; E1015-R1216 IonicContact OE1-NH2 3.87Å; E1015-R1216 PolarHBondContact OE1-NH2 2.9Å; E1015-R1216 WeakPolarHBondContact OE2-CG 3.29Å; E1015-R1216 IonicContact OE2-CZ 3.96Å; E1015-R1216 IonicContact OE2-NE 2.68Å; E1015-R1216 PolarHBondContact OE2-NE 3.43Å; E1015-R1216 IonicContact OE2-NH2 2.75Å; E1015-R1216 PolarHBondContact OE2-NH2 2.67Å; E1015-R1256 IonicContact OE1-CZ 2.65Å; E1015-R1256 VanDerWaalsContact OE1-CZ 3.32Å; E1015-R1256 IonicContact OE1-NH1 2.74Å; E1015-R1256 PolarHBondContact OE1-NH1 3.06Å; E1015-R1256 IonicContact OE1-NH2 2.75Å; E1015-R1256 PolarHBondContact OE1-NH2 3.16Å; E1015-R1256 IonicContact OE2-CZ 3.89Å; E1015-R1256 IonicContact OE2-NH1 3.28Å; E1015-R1256 PolarHBondContact OE2-NH1 3.47Å; E1015-R1256 VanDerWaalsContact OE2-NH1 3.09Å; E1015-R1256 IonicContact OE2-NH2 2.66Å; E1015-R1256 PolarHBondContact OE2-NH2 2.83Å
1016I26.3Very low24.2Very low32 Ų3297 Ų9716%0.16453%0.525CS..  trans-89.3134-167.1-74.6162.5000109S1217 A2116 R2118I1016-S1217 PolarHBondContact O-OG 3.46Å; I1016-A2116 HydrophobicContact CB-CB 4.3Å; I1016-A2116 HydrophobicContact CG2-CB 3.84Å; I1016-R2118 HydrophobicContact CD1-CG 3.94Å
1017T26.7Very low24.3Very low12 Ų1293.9 Ų93.97%0.07452%0.519CS..  trans-156.3119.2179.935.10000115.4K2142T1017-K2142 PolarHBondContact OG1-NZ 3Å
1018L25.5Very low25Very low10 Ų1093 Ų935%0.05251%0.511CS..  142.3129.5123.6-69.4-159000118.2S1261 S2114 L2136L1018-S1261 VanDerWaalsContact CD2-N 3.34Å; L1018-S2114 CarbonylContact C-O 3.59Å; L1018-S2114 CarbonylContact O-C 3.59Å; L1018-S2114 VanDerWaalsContact O-CA 3.29Å; L1018-S2114 WeakPolarHBondContact O-CA 3.22Å; L1018-L2136 HydrophobicContact CD1-CD2 3.38Å
1019E24.4Very low25.1Very low59 Ų5997.5 Ų97.528%0.27652%0.522SS..  trans-77.2135.6166.3-86.5174.5173.500113.3D1219 G1220 S2114E1019-D1219 WeakPolarHBondContact OE1-CA 3.36Å; E1019-G1220 VanDerWaalsContact CD-N 3.28Å; E1019-G1220 PolarHBondContact OE1-N 2.93Å; E1019-G1220 WeakPolarHBondContact OE2-CA 3.08Å; E1019-G1220 PolarHBondContact OE2-N 3.31Å; E1019-S2114 VanDerWaalsContact CG-CB 3.43Å
1020V24.8Very low25Very low33 Ų3394.2 Ų94.220%0.251%0.505CS..  trans-133.4122.9164.8174.20000108K1022 P2135 L2137V1020-K1022 HydrophobicContact CG1-CG 4.45Å; V1020-P2135 WeakPolarHBondContact CG2-O 3.21Å; V1020-L2137 HydrophobicContact CB-CD2 4.49Å; V1020-L2137 HydrophobicContact CG1-CD2 4.14Å; V1020-L2137 HydrophobicContact CG2-CD2 4.46Å
1021V24.9Very low25.7Very low90 Ų9092 Ų9255%0.54551%0.509SS..  trans-95.9115.2172.4179.20000108.4
1022K23.8Very low25.7Very low89 Ų8993.7 Ų93.739%0.38753%0.531SS..  trans-96.7138.8166.5-79-178.7169.2-179.60109.4V1020 E2036 E2112V1020-K1022 HydrophobicContact CG1-CG 4.45Å; K1022-E2036 IonicContact NZ-OE2 3.27Å; K1022-E2036 PolarHBondContact NZ-OE2 3.1Å; K1022-E2112 IonicContact NZ-OE1 2.68Å; K1022-E2112 PolarHBondContact NZ-OE1 3.24Å; K1022-E2112 IonicContact NZ-OE2 3.35Å; K1022-E2112 PolarHBondContact NZ-OE2 3.37Å
1023F23.3Very low25.6Very low198 Ų19899.5 Ų99.587%0.86853%0.533SS*.  trans-92.5114.1166-83.1-91000108.6
1024D24.8Very low25.6Very low156 Ų156101.5 Ų101.583%0.83455%0.545SS*.  trans-79.5130.4166.6-73.8-48.1000109.9
1025L26Very low25.5Very low175 Ų175108.4 Ų108.492%0.91657%0.566SS**  trans-152.9128.6162.2-112.4169.7000108.5
1026D24.1Very low25.4Very low159 Ų159116.1 Ų116.185%0.8560%0.599SS**  trans-67.9158.6-172.3-100.4-56000114
1027S23.9Very low25.3Very low100 Ų100120.2 Ų120.270%0.69962%0.622SS**  trans-61.1159.2-177.374.10000113.8
1028P38.4Very low25.2Very low109 Ų109128.3 Ų128.371%0.70866%0.658SS**  cis-142.317919.143.6-25.2000117.6
1029Q24.2Very low25.1Very low181 Ų181134.4 Ų134.485%0.84669%0.691SS**  trans72.684.1165.1-56.6-170.61100118.9
1030S22.7Very low25.2Very low66 Ų66139 Ų13946%0.46272%0.716SS.*  1.6156.2129.1590000121.4P1818S1030-P1818 WeakPolarHBondContact OG-CB 3.21Å
1031P36.9Very low25.2Very low94 Ų94145.7 Ų145.761%0.6175%0.751SS**  cis-132.6158.1-1.638-21000116.5R1033P1031-R1033 PolarHBondContact O-N 3.11Å
1032V23.7Very low25.2Very low139 Ų139147.2 Ų147.284%0.84276%0.76SS**  trans0.993.9154.1-166.90000117.4
1033R21.1Very low25.2Very low214 Ų214146.1 Ų146.181%0.80877%0.774SS**  trans-131.2142.6135.7-96-169.1174.1-166.2-1.6108.8P1031 Y1035P1031-R1033 PolarHBondContact O-N 3.11Å; R1033-Y1035 HydrophobicContact CB-CD2 4.49Å; R1033-Y1035 HydrophobicContact CB-CE2 4.29Å; R1033-Y1035 PolarHBondContact O-N 2.71Å; R1033-Y1035 VanDerWaalsContact O-N 3.14Å
1034T23.6Very low25.2Very low136 Ų136143.3 Ų143.383%0.83477%0.773SS**  trans-70.2103.3-177.646.40000110.8
1035Y21.6Very low25.1Very low188 Ų188141.1 Ų141.174%0.73777%0.77SS**  trans-110.2100.6165.9-80-85.2000109.4R1033R1033-Y1035 HydrophobicContact CB-CD2 4.49Å; R1033-Y1035 HydrophobicContact CB-CE2 4.29Å; R1033-Y1035 PolarHBondContact O-N 2.71Å; R1033-Y1035 VanDerWaalsContact O-N 3.14Å
1036F23.5Very low25Very low199 Ų199140.2 Ų140.287%0.87377%0.766SS**  trans-75.4121.1140.3-76.3-92.9000105.9
1037D23.2Very low24.9Very low118 Ų118140.3 Ų140.363%0.63177%0.765SS**  trans-145.193.1167.7-150.6-31.8000108.3N1039D1037-N1039 PolarHBondContact O-N 3.5Å; D1037-N1039 PolarHBondContact OD1-ND2 3.35Å; D1037-N1039 VanDerWaalsContact OD1-ND2 3.09Å
1038E25.3Very low24.8Very low181 Ų181140.9 Ų140.985%0.84677%0.767SS**  trans-81.799.6-179.5-66.1-176.2136.800109.8
1039N24.1Very low24.1Very low138 Ų138147.6 Ų147.674%0.73878%0.778SS**  trans-143.969.1173.1-86.9-66.6000112.2D1037D1037-N1039 PolarHBondContact O-N 3.5Å; D1037-N1039 PolarHBondContact OD1-ND2 3.35Å; D1037-N1039 VanDerWaalsContact OD1-ND2 3.09Å
1040I25.3Very low24.1Very low156 Ų156147 Ų14780%0.878%0.779SS**  trans-125.6106158.3-59.9-177.8000107.9V1042I1040-V1042 HydrophobicContact CG2-CG2 4.21Å; I1040-V1042 PolarHBondContact O-N 3.13Å; I1040-V1042 VanDerWaalsContact O-N 3.13Å
1041D24.1Very low24Very low173 Ų173149.3 Ų149.393%0.92579%0.794SS**  trans-60.9110.3173.9-101.4-47.5000110.7
1042V24.7Very low23.3Very low122 Ų122152.8 Ų152.874%0.73981%0.808SS**  trans-120.7116.2165-175.70000107.4I1040 T1044I1040-V1042 HydrophobicContact CG2-CG2 4.21Å; I1040-V1042 PolarHBondContact O-N 3.13Å; I1040-V1042 VanDerWaalsContact O-N 3.13Å; V1042-T1044 PolarHBondContact O-N 2.81Å
1043G24.4Very low23.3Very low67 Ų67153.9 Ų153.969%0.69181%0.807SS**  trans-55.7131.8-163.100000115S1045G1043-S1045 PolarHBondContact O-N 3.05Å
1044T23.6Very low23.5Very low139 Ų139151.5 Ų151.585%0.85381%0.81SS**  trans-7479.2-17538.90000113.6V1042 N1046V1042-T1044 PolarHBondContact O-N 2.81Å; T1044-N1046 PolarHBondContact O-N 3.26Å
1045S22.6Very low23.4Very low109 Ų109148.9 Ų148.976%0.76280%0.797SS**  trans-78.479.4171.963.60000112.5G1043 I1047G1043-S1045 PolarHBondContact O-N 3.05Å; S1045-I1047 PolarHBondContact O-N 2.98Å
1046N24.2Very low23.5Very low157 Ų157147.7 Ų147.784%0.8480%0.804SS**  trans11.297.5162.1-66.3-37000118.1T1044T1044-N1046 PolarHBondContact O-N 3.26Å
1047I21.5Very low23.5Very low160 Ų160147.1 Ų147.182%0.82180%0.804SS**PPolyproline II helixtrans-99.1117.3155.3-60.4178.1000107.5S1045S1045-I1047 PolarHBondContact O-N 2.98Å
1048P23.1Very low23.6Very low113 Ų113151.1 Ų151.173%0.73482%0.818SS**PPolyproline II helixtrans-75131.5-170.928.7-34.3000112.6
1049R22.8Very low23.4Very low249 Ų249147.7 Ų147.794%0.9481%0.814SS**PPolyproline II helixtrans-76.1124172.6-66.7179.1175.9176.3-3109.9
1050L23.3Very low23.3Very low168 Ų168147.8 Ų147.888%0.8882%0.82SS**  trans-114.646.5-173.9-159.879.2000113.5
1051C21.3Very low23.1Very low115 Ų115148.1 Ų148.178%0.77782%0.822SS**  trans-142102.2166-65.70000108.9
1052D22.3Very low22.9Very low168 Ų168148.6 Ų148.690%0.89882%0.819SS**  trans167.955.9153.3-91.2-13.7000111.8
1053I24.5Very low22.9Very low161 Ų161149 Ų14983%0.82682%0.824SS**  trans-137.3152.9160.6-55.9-178.2000106.9
1054L23.9Very low22.7Very low164 Ų164153 Ų15386%0.85983%0.83SS**  trans78.859.2-175.9-48.4-178.2000115.2
1055S21.8Very low22.7Very low81 Ų81151 Ų15157%0.56682%0.821SS**  trans-134.597141.5-74.10000107.8
1056D23.1Very low22.7Very low164 Ų164154.7 Ų154.788%0.87782%0.824SS**  trans-179.7169.1138.6-94.3-20.9000112.4
1057E25.3Very low22.7Very low187 Ų187153.4 Ų153.487%0.87482%0.816SS**  trans69.8101.6172.1-53.7-133.1128.800118.2
1058H24Very low22.9Very low202 Ų202152.7 Ų152.794%0.93581%0.813SS**  trans-66.3125.4162.6-68.6-103.2000111.2
1059S22.5Very low22.7Very low109 Ų109155.1 Ų155.176%0.76282%0.819SS**  trans-139.4120.515365.70000110.6L1061S1059-L1061 PolarHBondContact O-N 3.41Å
1060T21.1Very low22.8Very low140 Ų140148.9 Ų148.986%0.85981%0.808SS**  trans-75115.6-17847.80000111.9
1061L21.2Very low22.9Very low163 Ų163145.4 Ų145.485%0.85380%0.804SS**  trans-147.1126.7162.8-98.5166.5000108.8S1059 P1063S1059-L1061 PolarHBondContact O-N 3.41Å; L1061-P1063 WeakPolarHBondContact O-CD 3.5Å
1062E19.3Very low22.9Very low183 Ų183144.5 Ų144.586%0.85581%0.805SS**  trans-75.2120.2-174.9-61.7178.1130.500111.5N1064E1062-N1064 PolarHBondContact O-N 3.41Å
1063P24.4Very low23.1Very low129 Ų129142.3 Ų142.384%0.83880%0.8SS**  trans-81.4107.8177.231.5-31.6000110.4L1061L1061-P1063 WeakPolarHBondContact O-CD 3.5Å
1064N22.1Very low23.1Very low153 Ų153140.1 Ų140.182%0.81880%0.799SS**  trans-67143.8176.6-105.3-70.8000112.6E1062E1062-N1064 PolarHBondContact O-N 3.41Å
1065S22.9Very low23Very low96 Ų96140.8 Ų140.867%0.67180%0.798SS**  trans-54.2136-178.759.40000115.2
1066K23.2Very low23.1Very low187 Ų187145.3 Ų145.381%0.81381%0.81SS**  178.9126.2111.7-97.6166.5-177.51750113.1
1067D23.9Very low23.1Very low129 Ų129143.3 Ų143.369%0.6980%0.803SS**  trans-75.2129178.6-49-93.8000112.4
1068I24.6Very low22.9Very low145 Ų145139.3 Ų139.374%0.74480%0.796SS**  trans-13798.5161.3-58.9-176.4000108.7T1070I1068-T1070 VanDerWaalsContact CG2-OG1 3.32Å; I1068-T1070 WeakPolarHBondContact CG2-OG1 3.27Å; I1068-T1070 PolarHBondContact O-N 2.94Å
1069L20Very low23Very low164 Ų164137.2 Ų137.286%0.85979%0.79SS**  trans-88.788.2163.1-86.3171.2000109.6
1070T23.9Very low23Very low118 Ų118137.6 Ų137.672%0.72479%0.788SS**  trans-132.5150.4157.332.90000109.2I1068 A1072I1068-T1070 VanDerWaalsContact CG2-OG1 3.32Å; I1068-T1070 WeakPolarHBondContact CG2-OG1 3.27Å; I1068-T1070 PolarHBondContact O-N 2.94Å; T1070-A1072 PolarHBondContact O-N 2.83Å
1071A25.1Very low23.1Very low96 Ų96138.5 Ų138.579%0.79379%0.787SS**PPolyproline II helixtrans-57.9137.7-170.500000112.1
1072A22.1Very low23.2Very low96 Ų96139.5 Ų139.579%0.79379%0.788SS**PPolyproline II helixtrans-55.3124.1171.500000109T1070T1070-A1072 PolarHBondContact O-N 2.83Å
1073P26.1Very low23.5Very low121 Ų121137.6 Ų137.679%0.78679%0.789SS**PPolyproline II helixtrans-67.7144.5-172.127.1-34.7000111Q1075P1073-Q1075 PolarHBondContact O-N 2.75Å
1074S24.5Very low23.5Very low115 Ų115137 Ų13780%0.80479%0.788SS**  trans-50.7107.8179.5-46.30000111.8E1076S1074-E1076 PolarHBondContact O-N 2.92Å
1075Q22.9Very low23.6Very low179 Ų179139.2 Ų139.284%0.83679%0.79SS**  trans-72.5107.2158.3-83.1-168.6-3100107.8P1073 V1077P1073-Q1075 PolarHBondContact O-N 2.75Å; Q1075-V1077 PolarHBondContact O-N 2.93Å
1076E23.5Very low23.8Very low176 Ų176143 Ų14382%0.82280%0.802SS**  trans-68.577.7173-64.3-176.4129.300110.1S1074 S1078S1074-E1076 PolarHBondContact O-N 2.92Å; E1076-S1078 PolarHBondContact O-N 3.4Å; E1076-S1078 PolarHBondContact O-OG 3.14Å
1077V22.5Very low24.3Very low121 Ų121139.6 Ų139.673%0.73380%0.799SS**  trans-61.5104.1174.1179.20000108.1Q1075 I1079Q1075-V1077 PolarHBondContact O-N 2.93Å; V1077-I1079 PolarHBondContact O-N 2.74Å
1078S21.6Very low24.3Very low103 Ų103138.5 Ų138.572%0.7280%0.801SS**  trans-73.897.3-170.4-45.40000110.2E1076 T1080E1076-S1078 PolarHBondContact O-N 3.4Å; E1076-S1078 PolarHBondContact O-OG 3.14Å; S1078-T1080 PolarHBondContact O-N 3.07Å
1079I25.3Very low24.3Very low158 Ų158138.6 Ų138.681%0.8180%0.803SS**  trans-70.298.9179.3-56.8179.8000109V1077V1077-I1079 PolarHBondContact O-N 2.74Å
1080T22.6Very low24.6Very low117 Ų117136.5 Ų136.572%0.71880%0.798SS**  trans-70.7131175.746.50000111.1S1078 E1082S1078-T1080 PolarHBondContact O-N 3.07Å; T1080-E1082 PolarHBondContact O-N 3.08Å; T1080-E1082 VanDerWaalsContact O-N 3.12Å
1081N24.4Very low24.8Very low159 Ų159135.9 Ų135.985%0.8580%0.798SS**  trans-67.5104.7178.2-68.3-54.8000112.1
1082E23Very low24.9Very low184 Ų184138.7 Ų138.786%0.8680%0.8SS**  trans-110.8100.5159.9-71-143.7138.200110.9T1080 S1084T1080-E1082 PolarHBondContact O-N 3.08Å; T1080-E1082 VanDerWaalsContact O-N 3.12Å; E1082-S1084 PolarHBondContact O-N 3.13Å
1083T24.6Very low25.3Very low144 Ų144141.9 Ų141.988%0.88380%0.804SS**  trans-81113.3173.9470000110.2
1084S24.7Very low25.5Very low117 Ų117144.5 Ų144.582%0.81881%0.805SS**  trans-128.9150.4165.265.20000110.8E1082E1082-S1084 PolarHBondContact O-N 3.13Å
1085K25.2Very low25.8Very low199 Ų199146.8 Ų146.887%0.86581%0.807SS**  trans-106.4141.6-163.3-55.4165.5-177.2170.40111
1086L25.5Very low26.4Very low174 Ų174145 Ų14591%0.91180%0.804SS**  trans-145.3163.4146.5-116.776.9000107.4
1087P34.8Very low27.1Very low116 Ų116142.3 Ų142.375%0.75380%0.799SS**  trans-115.4165.4-138.813.111.8000115
1088S23.1Very low28Very low106 Ų106140.1 Ų140.174%0.74179%0.794SS**  trans-60.8135168.753.40000113.5
1089N24.6Very low29.5Very low147 Ų147142.5 Ų142.579%0.78680%0.799SS**  -170.6160.2126.2-98.7-18.3000114.1
1090T26.5Very low30.9Very low121 Ų121140.9 Ų140.974%0.74279%0.791SS**  trans57.477.4162.545.60000118.4
1091S27.3Very low32.9Very low105 Ų105138.6 Ų138.673%0.73478%0.778SS**  25.3108.4124.259.10000119
1092N28.1Very low35.1Very low154 Ų154138.2 Ų138.282%0.82477%0.765SS**  trans-150.7129144.5-93.8-41.3000107.6Q1094N1092-Q1094 VanDerWaalsContact C-N 3.32Å; N1092-Q1094 PolarHBondContact O-N 3.45Å
1093D30.1Very low37.9Very low164 Ų164129.5 Ų129.588%0.87772%0.724SS**  trans-80.170-168.5-68.2-54.1000113.6L1095D1093-L1095 PolarHBondContact O-N 3.02Å
1094Q30.6Very low40.3Very low176 Ų176123.9 Ų123.982%0.82269%0.689SS**  trans-88.896.1161.9-70.8-171.6-14.700109.3N1092 N1096N1092-Q1094 VanDerWaalsContact C-N 3.32Å; N1092-Q1094 PolarHBondContact O-N 3.45Å; Q1094-N1096 PolarHBondContact O-N 2.89Å
1095L31.3Very low42.6Very low162 Ų162119.7 Ų119.785%0.84866%0.657SS**  trans-64.1120.3178.8-87.5152.9000111.3D1093 T1097D1093-L1095 PolarHBondContact O-N 3.02Å; L1095-T1097 PolarHBondContact O-N 3.46Å
1096N36Very low44.8Very low143 Ų143111.8 Ų111.877%0.76563%0.629SS**  trans-64.6121.1-176.6-66.7-60.1000112.2Q1094 A1098Q1094-N1096 PolarHBondContact O-N 2.89Å; N1096-A1098 PolarHBondContact O-N 2.93Å
1097T36.6Very low47Very low118 Ų118107.2 Ų107.272%0.72462%0.623SS**THydrogen-bonded Turntrans-81.442.218061.80000113.1L1095L1095-T1097 PolarHBondContact O-N 3.46Å
1098A42Very low49.1Very low75 Ų75102.9 Ų102.962%0.6260%0.599SS**THydrogen-bonded Turntrans-98.3-24.8-167.400000115.2N1096N1096-A1098 PolarHBondContact O-N 2.93Å
1099D53.2Low51.7Low154 Ų154102.1 Ų102.182%0.82459%0.594SS**  trans-100.423.4-158.1-69.1-30.1000116.2P1101D1099-P1101 VanDerWaalsContact O-CD 3.3Å; D1099-P1101 WeakPolarHBondContact O-CD 3.37Å
1100L55.2Low54.1Low124 Ų12496 Ų9665%0.64957%0.565SS**  trans-88.7112170.4-16474.8000110.7L840 R1102L840-L1100 HydrophobicContact CD1-CB 4.22Å; L840-L1100 HydrophobicContact CD1-CD2 4.12Å; L840-L1100 HydrophobicContact CD2-CD2 3.52Å; L840-L1100 HydrophobicContact CG-CD2 4.46Å; L1100-R1102 PolarHBondContact O-N 3.47Å
1101P63.3Low56.7Low68 Ų6895.6 Ų95.644%0.44256%0.557SS.*PPolyproline II helixtrans-68.7131-177.526.4-33.7000111.8D1099 A1110D1099-P1101 VanDerWaalsContact O-CD 3.3Å; D1099-P1101 WeakPolarHBondContact O-CD 3.37Å; P1101-A1110 HydrophobicContact CB-CB 4.28Å; P1101-A1110 HydrophobicContact CG-CB 4.19Å; P1101-A1110 WeakPolarHBondContact O-CB 3.45Å
1102R72.4Confident59.3Low152 Ų15290.8 Ų90.857%0.57452%0.524SS*.PPolyproline II helixtrans-59156.2169.1-75.2-171177.3-177.6-0.1111.6L1100 A1106 G1108 S1109 A1110L1100-R1102 PolarHBondContact O-N 3.47Å; R1102-A1106 HydrophobicContact CB-CB 4.42Å; R1102-G1108 CarbonylContact O-C 3.57Å; R1102-G1108 VanDerWaalsContact O-C 3.29Å; R1102-G1108 VanDerWaalsContact O-CA 3.26Å; R1102-G1108 WeakPolarHBondContact O-CA 3.49Å; R1102-S1109 PolarHBondContact O-N 3.37Å; R1102-A1110 WeakPolarHBondContact O-CB 3.43Å; R1102-A1110 PolarHBondContact O-N 3.41Å
1103C81.2Confident61.9Low1 Ų185 Ų851%0.00749%0.491CS..BIsolated β-bridgetrans-72.9158.6173.9770000112.4L1105 A1106 G1107 G1108 A1110 T1114 E1116C1103-L1105 PolarHBondContact O-N 3.4Å; C1103-A1106 CarbonylContact O-C 3.48Å; C1103-A1106 WeakPolarHBondContact O-CA 3.41Å; C1103-A1106 PolarHBondContact O-N 3.08Å; C1103-A1106 PolarHBondContact SG-N 3.33Å; C1103-G1107 PolarHBondContact O-N 3.28Å; C1103-G1108 PolarHBondContact O-N 3.11Å; C1103-A1110 WeakPolarHBondContact CA-O 3.28Å; C1103-T1114 HydrophobicContact CB-CG2 4.07Å; C1103-T1114 WeakPolarHBondContact CB-OG1 3.45Å; C1103-E1116 HydrophobicContact CB-CB 4.18Å; C1103-E1116 PolarHBondContact N-OE2 3.41Å; C1103-E1116 WeakPolarHBondContact SG-CB 3.24Å; C1103-E1116 PolarHBondContact SG-OE2 3.16Å
1104I75.2Confident64.3Low26 Ų2678.8 Ų78.813%0.13346%0.458CS..G310 helixtrans-53.8-40.1176.9-71.7172.5000112.6S735 T736 A1106 G1107 G1108 A1110 L1111S735-I1104 WeakPolarHBondContact O-CG2 3.5Å; T736-I1104 HydrophobicContact CG2-CD1 4.33Å; T736-I1104 HydrophobicContact CG2-CG1 4.32Å; T736-I1104 HydrophobicContact CG2-CG2 3.89Å; I1104-A1106 PolarHBondContact O-N 3.36Å; I1104-G1107 PolarHBondContact O-N 3.36Å; I1104-G1108 WeakPolarHBondContact CA-O 3.43Å; I1104-A1110 PolarHBondContact N-O 2.98Å; I1104-L1111 HydrophobicContact CD1-CD2 3.51Å; I1104-L1111 HydrophobicContact CD1-CG 4.24Å
1105L72.8Confident66.6Low29 Ų2974.9 Ų74.915%0.15244%0.44CS..G310 helixtrans-69.4-13.8179.2-64.5174.8000114.2S732 C1103 I1120S732-L1105 WeakPolarHBondContact O-CG 3.3Å; C1103-L1105 PolarHBondContact O-N 3.4Å; L1105-I1120 HydrophobicContact CB-CB 4.34Å; L1105-I1120 HydrophobicContact CB-CD1 3.77Å; L1105-I1120 HydrophobicContact CB-CG2 4.03Å; L1105-I1120 HydrophobicContact CD1-CB 4.24Å; L1105-I1120 HydrophobicContact CD1-CG2 4.06Å
1106A70.9Confident69Low33 Ų3369.3 Ų69.327%0.27341%0.41SS..G310 helixtrans-107.914.1172.900000112.6R1102 C1103 I1104 E1116 I1120R1102-A1106 HydrophobicContact CB-CB 4.42Å; C1103-A1106 CarbonylContact O-C 3.48Å; C1103-A1106 WeakPolarHBondContact O-CA 3.41Å; C1103-A1106 PolarHBondContact O-N 3.08Å; C1103-A1106 PolarHBondContact SG-N 3.33Å; I1104-A1106 PolarHBondContact O-N 3.36Å; A1106-E1116 WeakPolarHBondContact CB-OE2 3.41Å; A1106-I1120 HydrophobicContact CB-CD1 4.26Å
1107G72.2Confident71.3Confident77 Ų7762.6 Ų62.679%0.79437%0.374SS*.THydrogen-bonded Turntrans83.412.317800000115.6C1103 I1104C1103-G1107 PolarHBondContact O-N 3.28Å; I1104-G1107 PolarHBondContact O-N 3.36Å
1108G79.6Confident73.6Confident25 Ų2557 Ų5726%0.25834%0.339SS..SBendtrans-102.2-165.117700000114.5R1102 C1103 I1104R1102-G1108 CarbonylContact O-C 3.57Å; R1102-G1108 VanDerWaalsContact O-C 3.29Å; R1102-G1108 VanDerWaalsContact O-CA 3.26Å; R1102-G1108 WeakPolarHBondContact O-CA 3.49Å; C1103-G1108 PolarHBondContact O-N 3.11Å; I1104-G1108 WeakPolarHBondContact CA-O 3.43Å
1109S76Confident75.7Confident90 Ų9056 Ų5663%0.62933%0.326SS*.  trans-109.1-5.1-173.155.60000115R1102 L1111R1102-S1109 PolarHBondContact O-N 3.37Å; S1109-L1111 PolarHBondContact O-N 2.94Å
1110A75.8Confident77.1Confident20 Ų2050.2 Ų50.217%0.16529%0.294CS..BIsolated β-bridgetrans-75126.1-177.600000112.3P1101 R1102 C1103 I1104 T1114P1101-A1110 HydrophobicContact CB-CB 4.28Å; P1101-A1110 HydrophobicContact CG-CB 4.19Å; P1101-A1110 WeakPolarHBondContact O-CB 3.45Å; R1102-A1110 WeakPolarHBondContact O-CB 3.43Å; R1102-A1110 PolarHBondContact O-N 3.41Å; C1103-A1110 WeakPolarHBondContact CA-O 3.28Å; I1104-A1110 PolarHBondContact N-O 2.98Å; A1110-T1114 HydrophobicContact CB-CG2 3.9Å
1111L81Confident78.7Confident111 Ų11144.3 Ų44.358%0.58126%0.263SS*.  trans-92.1148.9-178.9-70.3158.7000111.9I1104 S1109I1104-L1111 HydrophobicContact CD1-CD2 3.51Å; I1104-L1111 HydrophobicContact CD1-CG 4.24Å; S1109-L1111 PolarHBondContact O-N 2.94Å
1112G81.9Confident80Confident4 Ų441.2 Ų41.24%0.04124%0.243CC..SBendtrans83.9-158.6171.100000115.1L733 T1114 S1117L733-G1112 WeakPolarHBondContact CD2-O 3.28Å; L733-G1112 PolarHBondContact O-N 2.89Å; G1112-T1114 VanDerWaalsContact C-N 3.3Å; G1112-T1114 PolarHBondContact O-N 3.29Å; G1112-S1117 PolarHBondContact O-OG 2.93Å
1113W81.9Confident80.6Confident34 Ų3440.7 Ų40.713%0.12924%0.241CC..SBendtrans-78.770.1-174.9-67.7122000112.9L733 L769 T772 L776 L817 I1118L733-W1113 HydrophobicContact CD1-CD2 3.77Å; L733-W1113 HydrophobicContact CD1-CE3 3.88Å; L733-W1113 HydrophobicContact CD1-CH2 3.71Å; L733-W1113 HydrophobicContact CD1-CZ2 3.57Å; L733-W1113 HydrophobicContact CD1-CZ3 3.85Å; L733-W1113 HydrophobicContact CD2-CD2 4Å; L733-W1113 HydrophobicContact CD2-CE3 3.56Å; L733-W1113 HydrophobicContact CD2-CZ3 3.89Å; L733-W1113 HydrophobicContact CG-CE3 4.38Å; L733-W1113 HydrophobicContact CG-CZ3 4.44Å; L769-W1113 HydrophobicContact CD2-CH2 3.57Å; L769-W1113 HydrophobicContact CD2-CZ3 3.81Å; T772-W1113 HydrophobicContact CG2-CD2 4.39Å; T772-W1113 HydrophobicContact CG2-CE3 4.49Å; L776-W1113 HydrophobicContact CD1-CB 4.23Å; L817-W1113 HydrophobicContact CD2-CZ2 3.7Å; W1113-I1118 HydrophobicContact CB-CD1 4.35Å; W1113-I1118 HydrophobicContact CB-CG1 4.31Å; W1113-I1118 HydrophobicContact CD2-CG1 4.35Å; W1113-I1118 HydrophobicContact CE3-CB 4.49Å; W1113-I1118 HydrophobicContact CE3-CG1 3.54Å; W1113-I1118 HydrophobicContact CZ3-CG1 4.2Å
1114T81.3Confident80.9Confident32 Ų3244.4 Ų44.420%0.19626%0.255CS..  trans-73.7163.4164.571.60000111C1103 A1110 G1112 E1116 S1117 I1118C1103-T1114 HydrophobicContact CB-CG2 4.07Å; C1103-T1114 WeakPolarHBondContact CB-OG1 3.45Å; A1110-T1114 HydrophobicContact CB-CG2 3.9Å; G1112-T1114 VanDerWaalsContact C-N 3.3Å; G1112-T1114 PolarHBondContact O-N 3.29Å; T1114-E1116 VanDerWaalsContact C-N 3.33Å; T1114-E1116 PolarHBondContact O-N 3.39Å; T1114-S1117 PolarHBondContact N-OG 3.45Å; T1114-S1117 PolarHBondContact O-N 3.39Å; T1114-S1117 PolarHBondContact O-OG 3.32Å; T1114-S1117 WeakPolarHBondContact OG1-CB 3.38Å; T1114-S1117 PolarHBondContact OG1-N 2.75Å; T1114-S1117 PolarHBondContact OG1-OG 3.26Å; T1114-I1118 WeakPolarHBondContact O-CD1 3.37Å; T1114-I1118 WeakPolarHBondContact O-CG1 3.43Å; T1114-I1118 PolarHBondContact O-N 3.37Å; T1114-I1118 VanDerWaalsContact O-N 3.08Å
1115H79.4Confident81.6Confident95 Ų9543.2 Ų43.244%0.4425%0.249SC..Hα-helixtrans-63.2-40.9178.2-61.5-169.3000111.5L776 V777 V1119L776-H1115 PolarHBondContact O-CE1 3.4Å; L776-H1115 PolarHBondContact O-NE2 3.45Å; V777-H1115 HydrophobicContact CG2-CB 4.16Å; H1115-V1119 WeakPolarHBondContact O-CG2 3.47Å; H1115-V1119 PolarHBondContact O-N 3Å
1116E81.6Confident82.2Confident44 Ų4442.9 Ų42.921%0.20625%0.247CC..Hα-helixtrans-59.4-52.5174.4-64.6-177.2156.300111.9C1103 A1106 T1114 I1118 V1119 I1120C1103-E1116 HydrophobicContact CB-CB 4.18Å; C1103-E1116 PolarHBondContact N-OE2 3.41Å; C1103-E1116 WeakPolarHBondContact SG-CB 3.24Å; C1103-E1116 PolarHBondContact SG-OE2 3.16Å; A1106-E1116 WeakPolarHBondContact CB-OE2 3.41Å; T1114-E1116 VanDerWaalsContact C-N 3.33Å; T1114-E1116 PolarHBondContact O-N 3.39Å; E1116-I1118 VanDerWaalsContact C-N 3.33Å; E1116-I1118 PolarHBondContact O-N 3.09Å; E1116-V1119 PolarHBondContact O-N 3.44Å; E1116-I1120 VanDerWaalsContact O-CG1 3.32Å; E1116-I1120 WeakPolarHBondContact O-CG1 3.26Å; E1116-I1120 PolarHBondContact O-N 2.89Å
1117S83.7Confident82.9Confident2 Ų243.2 Ų43.21%0.01425%0.254CS..Hα-helixtrans-66.6-32.4-175.259.60000112.8G1112 T1114 C1121G1112-S1117 PolarHBondContact O-OG 2.93Å; T1114-S1117 PolarHBondContact N-OG 3.45Å; T1114-S1117 PolarHBondContact O-N 3.39Å; T1114-S1117 PolarHBondContact O-OG 3.32Å; T1114-S1117 WeakPolarHBondContact OG1-CB 3.38Å; T1114-S1117 PolarHBondContact OG1-N 2.75Å; T1114-S1117 PolarHBondContact OG1-OG 3.26Å; S1117-C1121 VanDerWaalsContact O-CB 3.26Å; S1117-C1121 WeakPolarHBondContact O-CB 3.3Å; S1117-C1121 PolarHBondContact O-N 2.97Å; S1117-C1121 PolarHBondContact O-SG 3.33Å; S1117-C1121 VanDerWaalsContact O-SG 3.36Å
1118I86.2Confident83.7Confident0 Ų039.7 Ų39.70%022%0.217CC..Hα-helixtrans-61.1-50.7171.3-64.9160.2000110.7T772 M773 L776 V777 W1113 T1114 E1116 C1121 W1122T772-I1118 HydrophobicContact CG2-CD1 4.09Å; T772-I1118 HydrophobicContact CG2-CG1 4.15Å; M773-I1118 HydrophobicContact CB-CG2 3.63Å; M773-I1118 HydrophobicContact CG-CG2 3.97Å; L776-I1118 HydrophobicContact CB-CD1 3.75Å; L776-I1118 HydrophobicContact CD1-CD1 3.81Å; L776-I1118 HydrophobicContact CG-CD1 4.39Å; V777-I1118 HydrophobicContact CG2-CB 4.21Å; V777-I1118 HydrophobicContact CG2-CD1 4.03Å; V777-I1118 HydrophobicContact CG2-CG2 4.13Å; W1113-I1118 HydrophobicContact CB-CD1 4.35Å; W1113-I1118 HydrophobicContact CB-CG1 4.31Å; W1113-I1118 HydrophobicContact CD2-CG1 4.35Å; W1113-I1118 HydrophobicContact CE3-CB 4.49Å; W1113-I1118 HydrophobicContact CE3-CG1 3.54Å; W1113-I1118 HydrophobicContact CZ3-CG1 4.2Å; T1114-I1118 WeakPolarHBondContact O-CD1 3.37Å; T1114-I1118 WeakPolarHBondContact O-CG1 3.43Å; T1114-I1118 PolarHBondContact O-N 3.37Å; T1114-I1118 VanDerWaalsContact O-N 3.08Å; E1116-I1118 VanDerWaalsContact C-N 3.33Å; E1116-I1118 PolarHBondContact O-N 3.09Å; I1118-C1121 PolarHBondContact O-N 2.94Å; I1118-W1122 WeakPolarHBondContact O-CB 3.29Å; I1118-W1122 PolarHBondContact O-N 2.77Å
1119V84.5Confident83.9Confident56 Ų5638.8 Ų38.834%0.33921%0.206SC..Hα-helixtrans-66.3-40-177.51740000111.4M773 V777 H1115 E1116 W1122 R1123M773-V1119 HydrophobicContact SD-CG2 4.23Å; V777-V1119 HydrophobicContact CG2-CG2 4.41Å; H1115-V1119 WeakPolarHBondContact O-CG2 3.47Å; H1115-V1119 PolarHBondContact O-N 3Å; E1116-V1119 PolarHBondContact O-N 3.44Å; V1119-W1122 PolarHBondContact O-N 3.3Å; V1119-R1123 WeakPolarHBondContact O-CB 3.37Å; V1119-R1123 PolarHBondContact O-N 2.94Å
1120I84Confident84.2Confident31 Ų3135.6 Ų35.616%0.15919%0.187CC..Hα-helixtrans-66.3-45.8177.2-63.1163.7000110.8L1105 A1106 E1116 R1123 R1124L1105-I1120 HydrophobicContact CB-CB 4.34Å; L1105-I1120 HydrophobicContact CB-CD1 3.77Å; L1105-I1120 HydrophobicContact CB-CG2 4.03Å; L1105-I1120 HydrophobicContact CD1-CB 4.24Å; L1105-I1120 HydrophobicContact CD1-CG2 4.06Å; A1106-I1120 HydrophobicContact CB-CD1 4.26Å; E1116-I1120 VanDerWaalsContact O-CG1 3.32Å; E1116-I1120 WeakPolarHBondContact O-CG1 3.26Å; E1116-I1120 PolarHBondContact O-N 2.89Å; I1120-R1123 PolarHBondContact O-N 3.46Å; I1120-R1124 HydrophobicContact CG2-CG 4.42Å; I1120-R1124 WeakPolarHBondContact O-CG 3.48Å; I1120-R1124 PolarHBondContact O-N 2.77Å
1121C88Confident84.3Confident0 Ų037.2 Ų37.20%020%0.197CC..Hα-helixtrans-61.7-43.4175.8-780000112.1L729 L769 S1117 I1118 R1124 F1125L729-C1121 HydrophobicContact CD2-CB 4.04Å; L769-C1121 HydrophobicContact CD2-CB 4.06Å; S1117-C1121 VanDerWaalsContact O-CB 3.26Å; S1117-C1121 WeakPolarHBondContact O-CB 3.3Å; S1117-C1121 PolarHBondContact O-N 2.97Å; S1117-C1121 PolarHBondContact O-SG 3.33Å; S1117-C1121 VanDerWaalsContact O-SG 3.36Å; I1118-C1121 PolarHBondContact O-N 2.94Å; C1121-R1124 PolarHBondContact O-N 3.13Å; C1121-F1125 WeakPolarHBondContact O-CB 3.47Å; C1121-F1125 PolarHBondContact O-N 3.14Å
1122W90.2Very high84.2Confident4 Ų432.6 Ų32.62%0.01517%0.173CC..Hα-helixtrans-59.7-47.3175.4-17690.9000111.7M766 L769 T770 M773 I1118 V1119 R1124 F1125 L1126 M1151 L1155 P1181M766-W1122 HydrophobicContact CE-CD2 4.27Å; M766-W1122 HydrophobicContact CE-CG 4.25Å; M766-W1122 HydrophobicContact CE-CZ2 4.32Å; L769-W1122 HydrophobicContact CB-CB 4.4Å; T770-W1122 PolarHBondContact OG1-NE1 2.79Å; M773-W1122 HydrophobicContact CE-CD2 4.19Å; M773-W1122 HydrophobicContact CE-CG 4.3Å; M773-W1122 HydrophobicContact SD-CD2 4.42Å; M773-W1122 HydrophobicContact SD-CG 4.25Å; I1118-W1122 WeakPolarHBondContact O-CB 3.29Å; I1118-W1122 PolarHBondContact O-N 2.77Å; V1119-W1122 PolarHBondContact O-N 3.3Å; W1122-R1124 PolarHBondContact O-N 3.45Å; W1122-F1125 PolarHBondContact O-N 3.04Å; W1122-L1126 HydrophobicContact CH2-CD2 3.82Å; W1122-L1126 HydrophobicContact CZ2-CD2 4.4Å; W1122-L1126 HydrophobicContact CZ3-CD2 4.02Å; W1122-L1126 WeakPolarHBondContact O-CB 3.38Å; W1122-L1126 PolarHBondContact O-N 3.43Å; W1122-M1151 HydrophobicContact CZ2-CE 4.1Å; W1122-M1151 HydrophobicContact CZ2-SD 3.88Å; W1122-L1155 HydrophobicContact CH2-CD1 4.22Å; W1122-L1155 HydrophobicContact CZ2-CD1 3.99Å; W1122-L1155 HydrophobicContact CZ2-CD2 4.44Å; W1122-P1181 HydrophobicContact CE3-CG 4.38Å; W1122-P1181 HydrophobicContact CH2-CG 3.91Å; W1122-P1181 HydrophobicContact CZ3-CB 4.31Å; W1122-P1181 HydrophobicContact CZ3-CG 3.76Å
1123R86.4Confident83.9Confident140 Ų14035.1 Ų35.153%0.52818%0.184SC..Hα-helixtrans-65.1-39.9179.1-168.2174.873.2160.51.7112.6V1119 I1120V1119-R1123 WeakPolarHBondContact O-CB 3.37Å; V1119-R1123 PolarHBondContact O-N 2.94Å; I1120-R1123 PolarHBondContact O-N 3.46Å
1124R86.5Confident83.6Confident80 Ų8041.8 Ų41.830%0.30221%0.214SC..Hα-helixtrans-68.7-42.9176.6-69.8-173.7-177.71793.1112W742 I1120 C1121 W1122 L1126 G1127 I1128W742-R1124 HydrophobicContact CD2-CB 4.27Å; W742-R1124 HydrophobicContact CE3-CB 3.62Å; W742-R1124 HydrophobicContact CE3-CG 4.31Å; W742-R1124 HydrophobicContact CH2-CB 3.76Å; W742-R1124 HydrophobicContact CZ2-CB 4.41Å; W742-R1124 HydrophobicContact CZ3-CB 3.35Å; W742-R1124 HydrophobicContact CZ3-CG 4.38Å; W742-R1124 VanDerWaalsContact NE1-NH1 3.1Å; I1120-R1124 HydrophobicContact CG2-CG 4.42Å; I1120-R1124 WeakPolarHBondContact O-CG 3.48Å; I1120-R1124 PolarHBondContact O-N 2.77Å; C1121-R1124 PolarHBondContact O-N 3.13Å; W1122-R1124 PolarHBondContact O-N 3.45Å; R1124-L1126 VanDerWaalsContact C-N 3.34Å; R1124-L1126 PolarHBondContact O-N 2.68Å; R1124-G1127 PolarHBondContact O-N 3.04Å; R1124-I1128 PolarHBondContact O-N 3.38Å
1125F90.1Very high83.4Confident0 Ų040.7 Ų40.70%021%0.207CC..Hα-helixtrans-68.8-28177.1-97.4-79.4000113.8N725 L728 L729 W742 W762 V765 M766 L769 C1121 W1122 G1127 I1128N725-F1125 HydrophobicContact CB-CZ 4.39Å; N725-F1125 VanDerWaalsContact OD1-CE1 3.28Å; N725-F1125 WeakPolarHBondContact OD1-CE1 3.4Å; L728-F1125 HydrophobicContact CD2-CE2 4.48Å; L728-F1125 HydrophobicContact CD2-CZ 4.21Å; L729-F1125 HydrophobicContact CD1-CE2 4.24Å; L729-F1125 HydrophobicContact CD2-CD2 3.79Å; L729-F1125 HydrophobicContact CD2-CE2 3.46Å; L729-F1125 VanDerWaalsContact CD2-CE2 3.46Å; L729-F1125 HydrophobicContact CD2-CZ 4.49Å; L729-F1125 HydrophobicContact CG-CD2 4.34Å; L729-F1125 HydrophobicContact CG-CE2 3.59Å; L729-F1125 HydrophobicContact CG-CZ 4.18Å; W742-F1125 AromaticContact CH2-CD2 3.49Å; W742-F1125 HydrophobicContact CH2-CD2 3.49Å; W742-F1125 VanDerWaalsContact CH2-CD2 3.49Å; W742-F1125 AromaticContact CH2-CE2 3.41Å; W742-F1125 HydrophobicContact CH2-CE2 3.41Å; W742-F1125 VanDerWaalsContact CH2-CE2 3.41Å; W742-F1125 HydrophobicContact CH2-CZ 4.45Å; W742-F1125 HydrophobicContact CZ2-CE2 4.48Å; W742-F1125 AromaticContact CZ3-CD2 3.65Å; W742-F1125 HydrophobicContact CZ3-CD2 3.65Å; W742-F1125 AromaticContact CZ3-CE2 3.66Å; W742-F1125 HydrophobicContact CZ3-CE2 3.66Å; W742-F1125 HydrophobicContact CZ3-CG 4.36Å; W742-F1125 HydrophobicContact CZ3-CZ 4.4Å; W762-F1125 PolarHBondContact NE1-O 3.13Å; V765-F1125 HydrophobicContact CB-CD1 4.27Å; V765-F1125 HydrophobicContact CB-CE1 4.37Å; V765-F1125 HydrophobicContact CG1-CB 4.38Å; V765-F1125 HydrophobicContact CG1-CD1 3.53Å; V765-F1125 HydrophobicContact CG1-CD2 4.01Å; V765-F1125 HydrophobicContact CG1-CE1 3.73Å; V765-F1125 HydrophobicContact CG1-CE2 4.2Å; V765-F1125 HydrophobicContact CG1-CG 3.69Å; V765-F1125 HydrophobicContact CG1-CZ 4.06Å; V765-F1125 HydrophobicContact CG2-CE1 4.36Å; M766-F1125 HydrophobicContact CG-CB 4.48Å; M766-F1125 VanDerWaalsContact SD-C 3.51Å; M766-F1125 HydrophobicContact SD-CB 3.49Å; M766-F1125 WeakPolarHBondContact SD-CB 3.39Å; L769-F1125 HydrophobicContact CD1-CB 3.78Å; L769-F1125 HydrophobicContact CD1-CD2 3.93Å; L769-F1125 HydrophobicContact CD1-CG 4Å; C1121-F1125 WeakPolarHBondContact O-CB 3.47Å; C1121-F1125 PolarHBondContact O-N 3.14Å; W1122-F1125 PolarHBondContact O-N 3.04Å; F1125-G1127 VanDerWaalsContact C-N 3.31Å; F1125-G1127 PolarHBondContact O-N 3.12Å; F1125-I1128 HydrophobicContact CD1-CD1 3.82Å; F1125-I1128 HydrophobicContact CD1-CG2 4Å; F1125-I1128 HydrophobicContact CE1-CD1 3.55Å; F1125-I1128 HydrophobicContact CE1-CG2 4.5Å; F1125-I1128 HydrophobicContact CG-CD1 4.44Å; F1125-I1128 HydrophobicContact CZ-CD1 3.97Å; F1125-I1128 VanDerWaalsContact O-CG2 3.22Å; F1125-I1128 WeakPolarHBondContact O-CG2 3.36Å; F1125-I1128 PolarHBondContact O-N 2.99Å
1126L86.1Confident83.3Confident23 Ų2342.3 Ų42.312%0.1222%0.223CC..Hα-helixtrans-61.6-40.6173.3-179.256.3000111.9M766 W1122 R1124 L1148 M1151M766-L1126 HydrophobicContact CE-CB 3.87Å; M766-L1126 HydrophobicContact CE-CD1 4.11Å; M766-L1126 HydrophobicContact SD-CB 4.41Å; M766-L1126 PolarHBondContact SD-N 3.02Å; W1122-L1126 HydrophobicContact CH2-CD2 3.82Å; W1122-L1126 HydrophobicContact CZ2-CD2 4.4Å; W1122-L1126 HydrophobicContact CZ3-CD2 4.02Å; W1122-L1126 WeakPolarHBondContact O-CB 3.38Å; W1122-L1126 PolarHBondContact O-N 3.43Å; R1124-L1126 VanDerWaalsContact C-N 3.34Å; R1124-L1126 PolarHBondContact O-N 2.68Å; L1126-L1148 HydrophobicContact CD1-CD2 4.03Å; L1126-M1151 HydrophobicContact CD1-CE 3.77Å
1127G85.6Confident83.3Confident40 Ų4043.3 Ų43.341%0.41223%0.23SC..Hα-helixtrans-86.7-4.9-179.700000115.7L746 R1124 F1125 L1129 G1130L746-G1127 VanDerWaalsContact CD1-O 3.26Å; L746-G1127 WeakPolarHBondContact CD1-O 3.17Å; R1124-G1127 PolarHBondContact O-N 3.04Å; F1125-G1127 VanDerWaalsContact C-N 3.31Å; F1125-G1127 PolarHBondContact O-N 3.12Å; G1127-L1129 PolarHBondContact O-N 3.11Å; G1127-L1129 VanDerWaalsContact O-N 3.12Å; G1127-G1130 PolarHBondContact O-N 3.28Å
1128I88.4Confident83.2Confident3 Ų345.3 Ų45.32%0.01524%0.243CC..THydrogen-bonded Turntrans-66.6-19-165.5-153170.2000114.9L728 W742 Y749 R1124 F1125 G1130L728-I1128 HydrophobicContact CD2-CD1 4.15Å; W742-I1128 HydrophobicContact CE3-CD1 4.36Å; W742-I1128 HydrophobicContact CZ3-CD1 4.17Å; Y749-I1128 VanDerWaalsContact CB-O 3.26Å; Y749-I1128 WeakPolarHBondContact CB-O 3.33Å; Y749-I1128 HydrophobicContact CD2-CD1 4.22Å; Y749-I1128 HydrophobicContact CD2-CG1 4.02Å; Y749-I1128 HydrophobicContact CD2-CG2 4.08Å; Y749-I1128 HydrophobicContact CE2-CD1 4.25Å; R1124-I1128 PolarHBondContact O-N 3.38Å; F1125-I1128 HydrophobicContact CD1-CD1 3.82Å; F1125-I1128 HydrophobicContact CD1-CG2 4Å; F1125-I1128 HydrophobicContact CE1-CD1 3.55Å; F1125-I1128 HydrophobicContact CE1-CG2 4.5Å; F1125-I1128 HydrophobicContact CG-CD1 4.44Å; F1125-I1128 HydrophobicContact CZ-CD1 3.97Å; F1125-I1128 VanDerWaalsContact O-CG2 3.22Å; F1125-I1128 WeakPolarHBondContact O-CG2 3.36Å; F1125-I1128 PolarHBondContact O-N 2.99Å; I1128-G1130 VanDerWaalsContact C-N 3.27Å
1129L83.7Confident83.1Confident5 Ų549.7 Ų49.73%0.02627%0.27CS..THydrogen-bonded Turntrans-81.1-6.2173.7-59.7179.5000112.9L758 I759 W762 G1127 L1132 I1144L758-L1129 HydrophobicContact CD1-CD2 4.2Å; L758-L1129 HydrophobicContact CD2-CD2 3.94Å; L758-L1129 HydrophobicContact CG-CD2 3.96Å; I759-L1129 HydrophobicContact CD1-CD1 3.84Å; I759-L1129 HydrophobicContact CD1-CD2 4.18Å; W762-L1129 HydrophobicContact CD2-CD1 3.71Å; W762-L1129 HydrophobicContact CD2-CG 4.31Å; W762-L1129 HydrophobicContact CE3-CD1 3.95Å; W762-L1129 HydrophobicContact CG-CD1 4.12Å; W762-L1129 HydrophobicContact CG-CD2 4.4Å; W762-L1129 HydrophobicContact CG-CG 4.28Å; W762-L1129 HydrophobicContact CH2-CD1 4.39Å; W762-L1129 HydrophobicContact CZ2-CD1 4.19Å; W762-L1129 HydrophobicContact CZ3-CD1 4.27Å; G1127-L1129 PolarHBondContact O-N 3.11Å; G1127-L1129 VanDerWaalsContact O-N 3.12Å; L1129-L1132 HydrophobicContact CB-CD2 4.15Å; L1129-L1132 HydrophobicContact CD1-CD2 4.14Å; L1129-I1144 HydrophobicContact CD1-CD1 4.27Å
1130G82.8Confident82.9Confident23 Ų2347.5 Ų47.524%0.23726%0.256CS..  trans73.7-147.4-175.100000113.2G1127 I1128 L1132G1127-G1130 PolarHBondContact O-N 3.28Å; I1128-G1130 VanDerWaalsContact C-N 3.27Å; G1130-L1132 PolarHBondContact O-N 3.37Å; G1130-L1132 VanDerWaalsContact O-N 3.11Å
1131S77.7Confident83Confident55 Ų5546 Ų4639%0.38525%0.249SC..  trans-72.6104178.3178.40000110.3H1133 K1134S1131-H1133 PolarHBondContact O-N 3.44Å; S1131-H1133 VanDerWaalsContact O-N 3.13Å; S1131-K1134 WeakPolarHBondContact O-CB 3.29Å; S1131-K1134 PolarHBondContact O-N 3.18Å
1132L78.3Confident82.9Confident14 Ų1446.8 Ų46.87%0.07325%0.254CS..G310 helixtrans-55.1-28.6177.9-67172.8000112.9L1129 G1130 K1134 I1135 M1141 I1144 F1145 L1148 I1188L1129-L1132 HydrophobicContact CB-CD2 4.15Å; L1129-L1132 HydrophobicContact CD1-CD2 4.14Å; G1130-L1132 PolarHBondContact O-N 3.37Å; G1130-L1132 VanDerWaalsContact O-N 3.11Å; L1132-K1134 PolarHBondContact O-N 3.42Å; L1132-I1135 HydrophobicContact CD2-CD1 4.02Å; L1132-I1135 WeakPolarHBondContact O-CB 3.11Å; L1132-I1135 WeakPolarHBondContact O-CG1 3.45Å; L1132-I1135 PolarHBondContact O-N 3.14Å; L1132-M1141 WeakPolarHBondContact O-CE 3.49Å; L1132-I1144 HydrophobicContact CD1-CG2 4.38Å; L1132-I1144 HydrophobicContact CD2-CD1 4.22Å; L1132-I1144 HydrophobicContact CD2-CG2 3.97Å; L1132-F1145 HydrophobicContact CD1-CE2 4.45Å; L1132-L1148 HydrophobicContact CD1-CD1 4.19Å; L1132-I1188 HydrophobicContact CD1-CG2 3.78Å
1133H75.5Confident82.6Confident57 Ų5751.5 Ų51.526%0.26428%0.28SS..G310 helixtrans-71.5-4.6177.8-51.883.1000114.1S1131 I1188 N1191 T1192 L1195S1131-H1133 PolarHBondContact O-N 3.44Å; S1131-H1133 VanDerWaalsContact O-N 3.13Å; H1133-I1188 PolarHBondContact NE2-O 2.71Å; H1133-N1191 PolarHBondContact CD2-O 2.87Å; H1133-N1191 VanDerWaalsContact NE2-C 3.3Å; H1133-N1191 PolarHBondContact NE2-O 3.01Å; H1133-T1192 PolarHBondContact NE2-N 3.41Å; H1133-T1192 PolarHBondContact NE2-OG1 3.41Å; H1133-L1195 HydrophobicContact CB-CD2 4.34Å
1134K75.6Confident82.7Confident173 Ų17344.9 Ų44.975%0.75226%0.255SS*.G310 helixtrans-89.6-3.3170.5-64.6-173.7177.4-174.30113.9S1131 L1132 T1136S1131-K1134 WeakPolarHBondContact O-CB 3.29Å; S1131-K1134 PolarHBondContact O-N 3.18Å; L1132-K1134 PolarHBondContact O-N 3.42Å; K1134-T1136 PolarHBondContact O-N 3.14Å
1135I77.6Confident82.9Confident10 Ų1041 Ų415%0.05124%0.24CC..  trans-78.6112.2-177.3-61.4176.4000109.7L1132 N1137 T1140 I1144L1132-I1135 HydrophobicContact CD2-CD1 4.02Å; L1132-I1135 WeakPolarHBondContact O-CB 3.11Å; L1132-I1135 WeakPolarHBondContact O-CG1 3.45Å; L1132-I1135 PolarHBondContact O-N 3.14Å; I1135-N1137 PolarHBondContact O-N 3.37Å; I1135-T1140 HydrophobicContact CG2-CG2 4.42Å; I1135-I1144 HydrophobicContact CD1-CD1 3.41Å; I1135-I1144 VanDerWaalsContact CD1-CD1 3.41Å
1136T76.3Confident82.9Confident128 Ų12843.6 Ų43.679%0.78525%0.254SS*.  trans-77.5-14.8-174.752.70000115K1134 P1138K1134-T1136 PolarHBondContact O-N 3.14Å; T1136-P1138 WeakPolarHBondContact O-CD 3.49Å
1137N81.6Confident83Confident66 Ų6642.8 Ų42.835%0.35325%0.25SC..  trans-95.6113.4-179.2-177.3-11.7000111.3I1135 T1139 T1140 M1141I1135-N1137 PolarHBondContact O-N 3.37Å; N1137-T1139 VanDerWaalsContact C-N 3.27Å; N1137-T1139 PolarHBondContact ND2-OG1 3.46Å; N1137-T1139 PolarHBondContact O-N 2.87Å; N1137-T1139 PolarHBondContact OD1-N 3.29Å; N1137-T1139 PolarHBondContact OD1-OG1 3.22Å; N1137-T1140 PolarHBondContact ND2-OG1 3.32Å; N1137-T1140 VanDerWaalsContact ND2-OG1 3.08Å; N1137-T1140 PolarHBondContact O-N 2.91Å; N1137-M1141 PolarHBondContact O-N 3.31Å
1138P82.7Confident83.2Confident44 Ų4440.9 Ų40.929%0.28623%0.23SC..Hα-helixtrans-61.6-30.8-179.2-24.435.1000114.3T1136 S1142 E1198 F1199T1136-P1138 WeakPolarHBondContact O-CD 3.49Å; P1138-S1142 WeakPolarHBondContact O-CB 3.41Å; P1138-S1142 PolarHBondContact O-N 3.04Å; P1138-E1198 WeakPolarHBondContact CB-O 3.42Å; P1138-E1198 HydrophobicContact CG-CB 4.34Å; P1138-F1199 HydrophobicContact CB-CD1 3.95Å; P1138-F1199 HydrophobicContact CB-CE1 4.11Å; P1138-F1199 HydrophobicContact CG-CD1 4.14Å; P1138-F1199 HydrophobicContact CG-CE1 3.92Å; P1138-F1199 HydrophobicContact CG-CZ 4.18Å
1139T82.6Confident83.2Confident91 Ų9141.8 Ų41.856%0.55824%0.235SC*.Hα-helixtrans-69.5-46.817961.70000111.4N1137 M1141 S1142 D1143N1137-T1139 VanDerWaalsContact C-N 3.27Å; N1137-T1139 PolarHBondContact ND2-OG1 3.46Å; N1137-T1139 PolarHBondContact O-N 2.87Å; N1137-T1139 PolarHBondContact OD1-N 3.29Å; N1137-T1139 PolarHBondContact OD1-OG1 3.22Å; T1139-M1141 VanDerWaalsContact C-N 3.29Å; T1139-M1141 PolarHBondContact O-N 2.87Å; T1139-S1142 WeakPolarHBondContact O-CB 3.21Å; T1139-S1142 PolarHBondContact O-N 2.65Å; T1139-D1143 PolarHBondContact O-N 3.36Å
1140T81.7Confident83.4Confident10 Ų1045.3 Ų45.36%0.06125%0.251CS..Hα-helixtrans-61.8-38.1175.6-49.70000111.5I759 I1135 N1137 D1143 I1144I759-T1140 HydrophobicContact CD1-CG2 4.48Å; I759-T1140 HydrophobicContact CG1-CG2 3.79Å; I1135-T1140 HydrophobicContact CG2-CG2 4.42Å; N1137-T1140 PolarHBondContact ND2-OG1 3.32Å; N1137-T1140 VanDerWaalsContact ND2-OG1 3.08Å; N1137-T1140 PolarHBondContact O-N 2.91Å; T1140-D1143 PolarHBondContact O-N 2.85Å; T1140-I1144 HydrophobicContact CG2-CD1 4.48Å; T1140-I1144 WeakPolarHBondContact O-CD1 3.2Å; T1140-I1144 WeakPolarHBondContact O-CG1 3.42Å; T1140-I1144 PolarHBondContact O-N 3.31Å
1141M86.2Confident83.7Confident1 Ų144.3 Ų44.31%0.00524%0.24CC..Hα-helixtrans-66.1-44174.3-163.2170.6-160.400111.8L1132 N1137 T1139 D1143 I1144 F1145 L1195 F1199 A1202L1132-M1141 WeakPolarHBondContact O-CE 3.49Å; N1137-M1141 PolarHBondContact O-N 3.31Å; T1139-M1141 VanDerWaalsContact C-N 3.29Å; T1139-M1141 PolarHBondContact O-N 2.87Å; M1141-D1143 PolarHBondContact O-N 3.29Å; M1141-I1144 PolarHBondContact O-N 2.98Å; M1141-F1145 HydrophobicContact CE-CD2 4.48Å; M1141-F1145 HydrophobicContact CE-CE2 3.63Å; M1141-F1145 HydrophobicContact CE-CZ 4.13Å; M1141-F1145 HydrophobicContact CG-CD2 3.91Å; M1141-F1145 HydrophobicContact CG-CE2 3.94Å; M1141-F1145 WeakPolarHBondContact O-CD2 3.4Å; M1141-F1145 PolarHBondContact O-N 3.48Å; M1141-L1195 HydrophobicContact CE-CD1 3.53Å; M1141-L1195 HydrophobicContact SD-CD1 3.74Å; M1141-F1199 HydrophobicContact CB-CD1 4.18Å; M1141-F1199 HydrophobicContact CB-CE1 4.33Å; M1141-F1199 HydrophobicContact CG-CD1 4.41Å; M1141-F1199 HydrophobicContact SD-CD1 3.48Å; M1141-F1199 WeakPolarHBondContact SD-CD1 3.33Å; M1141-F1199 HydrophobicContact SD-CE1 3.77Å; M1141-F1199 HydrophobicContact SD-CG 4.34Å; M1141-A1202 HydrophobicContact CG-CB 4.08Å; M1141-A1202 HydrophobicContact SD-CB 4.44Å
1142S86Confident84.2Confident16 Ų1641.7 Ų41.711%0.11222%0.222CC..Hα-helixtrans-58.9-42.2175.2-176.50000112.6P1138 T1139 I1144 F1145 N1146 E1201 I1205P1138-S1142 WeakPolarHBondContact O-CB 3.41Å; P1138-S1142 PolarHBondContact O-N 3.04Å; T1139-S1142 WeakPolarHBondContact O-CB 3.21Å; T1139-S1142 PolarHBondContact O-N 2.65Å; S1142-I1144 VanDerWaalsContact C-N 3.34Å; S1142-I1144 PolarHBondContact O-N 2.95Å; S1142-F1145 PolarHBondContact O-N 3.03Å; S1142-N1146 WeakPolarHBondContact O-CB 3.39Å; S1142-N1146 PolarHBondContact O-N 3.27Å; S1142-N1146 PolarHBondContact O-ND2 3.33Å; S1142-N1146 PolarHBondContact OG-ND2 2.9Å; S1142-E1201 WeakPolarHBondContact OG-CG 3.25Å; S1142-I1205 WeakPolarHBondContact OG-CD1 3.49Å
1143D84.1Confident84.5Confident102 Ų10242 Ų4255%0.54523%0.225SC..Hα-helixtrans-61.5-39.5176.1-79.6-31.4000112.8T1139 T1140 M1141 Y1147T1139-D1143 PolarHBondContact O-N 3.36Å; T1140-D1143 PolarHBondContact O-N 2.85Å; M1141-D1143 PolarHBondContact O-N 3.29Å; D1143-Y1147 PolarHBondContact O-N 3.16Å
1144I88.1Confident84.9Confident1 Ų141.1 Ų41.11%0.00523%0.225CC..Hα-helixtrans-66.2-47.7175.6-65.9162.6000110.5I759 W762 L1129 L1132 I1135 T1140 M1141 S1142 N1146 Y1147 L1148I759-I1144 HydrophobicContact CD1-CD1 3.79Å; I759-I1144 HydrophobicContact CD1-CG1 4.13Å; I759-I1144 HydrophobicContact CG1-CD1 4.4Å; I759-I1144 HydrophobicContact CG1-CG1 4.47Å; I759-I1144 HydrophobicContact CG2-CG1 3.7Å; W762-I1144 HydrophobicContact CH2-CG2 3.95Å; W762-I1144 HydrophobicContact CZ3-CG1 4.43Å; W762-I1144 HydrophobicContact CZ3-CG2 3.94Å; L1129-I1144 HydrophobicContact CD1-CD1 4.27Å; L1132-I1144 HydrophobicContact CD1-CG2 4.38Å; L1132-I1144 HydrophobicContact CD2-CD1 4.22Å; L1132-I1144 HydrophobicContact CD2-CG2 3.97Å; I1135-I1144 HydrophobicContact CD1-CD1 3.41Å; I1135-I1144 VanDerWaalsContact CD1-CD1 3.41Å; T1140-I1144 HydrophobicContact CG2-CD1 4.48Å; T1140-I1144 WeakPolarHBondContact O-CD1 3.2Å; T1140-I1144 WeakPolarHBondContact O-CG1 3.42Å; T1140-I1144 PolarHBondContact O-N 3.31Å; M1141-I1144 PolarHBondContact O-N 2.98Å; S1142-I1144 VanDerWaalsContact C-N 3.34Å; S1142-I1144 PolarHBondContact O-N 2.95Å; I1144-N1146 PolarHBondContact O-N 2.88Å; I1144-Y1147 CarbonylContact O-C 3.55Å; I1144-Y1147 WeakPolarHBondContact O-CA 3.4Å; I1144-Y1147 WeakPolarHBondContact O-CB 3.27Å; I1144-Y1147 PolarHBondContact O-N 3.41Å; I1144-L1148 HydrophobicContact CG2-CD1 4.41Å; I1144-L1148 HydrophobicContact CG2-CG 4.45Å; I1144-L1148 PolarHBondContact O-N 3.18Å
1145F89.8Confident85.4Confident0 Ų032.9 Ų32.90%019%0.189CC..Hα-helixtrans-67.7-35-178.7-84.5-104.4000112.1L1132 M1141 S1142 Y1147 L1148 N1149 I1188 L1189 T1192 A1202 I1205 A1206L1132-F1145 HydrophobicContact CD1-CE2 4.45Å; M1141-F1145 HydrophobicContact CE-CD2 4.48Å; M1141-F1145 HydrophobicContact CE-CE2 3.63Å; M1141-F1145 HydrophobicContact CE-CZ 4.13Å; M1141-F1145 HydrophobicContact CG-CD2 3.91Å; M1141-F1145 HydrophobicContact CG-CE2 3.94Å; M1141-F1145 WeakPolarHBondContact O-CD2 3.4Å; M1141-F1145 PolarHBondContact O-N 3.48Å; S1142-F1145 PolarHBondContact O-N 3.03Å; F1145-Y1147 VanDerWaalsContact C-N 3.27Å; F1145-Y1147 PolarHBondContact O-N 3.12Å; F1145-L1148 HydrophobicContact CD1-CD1 4.37Å; F1145-L1148 HydrophobicContact CD2-CD1 4.5Å; F1145-L1148 HydrophobicContact CE1-CD1 4.33Å; F1145-L1148 HydrophobicContact CE2-CD1 4.46Å; F1145-L1148 HydrophobicContact CG-CD1 4.45Å; F1145-L1148 HydrophobicContact CZ-CD1 4.36Å; F1145-L1148 PolarHBondContact O-N 3.09Å; F1145-N1149 PolarHBondContact O-N 3.4Å; F1145-I1188 HydrophobicContact CE1-CG2 4.47Å; F1145-I1188 HydrophobicContact CZ-CG2 4.01Å; F1145-L1189 HydrophobicContact CD1-CD2 4.01Å; F1145-L1189 HydrophobicContact CE1-CD2 3.79Å; F1145-T1192 HydrophobicContact CD1-CG2 4.43Å; F1145-T1192 HydrophobicContact CE1-CG2 3.89Å; F1145-T1192 WeakPolarHBondContact CE1-OG1 3.42Å; F1145-T1192 HydrophobicContact CZ-CG2 4.11Å; F1145-T1192 WeakPolarHBondContact CZ-OG1 3.3Å; F1145-A1202 HydrophobicContact CG-CB 4.48Å; F1145-I1205 VanDerWaalsContact C-CG2 3.49Å; F1145-I1205 HydrophobicContact CB-CB 4.22Å; F1145-I1205 HydrophobicContact CB-CD1 4.44Å; F1145-I1205 HydrophobicContact CB-CG2 3.99Å; F1145-I1205 VanDerWaalsContact O-CG2 3.31Å; F1145-I1205 WeakPolarHBondContact O-CG2 3.14Å; F1145-A1206 HydrophobicContact CD1-CB 3.99Å; F1145-A1206 HydrophobicContact CE1-CB 4.11Å
1146N89.9Confident85.6Confident54 Ų5433 Ų3329%0.28919%0.19SC..Hα-helixtrans-58.3-39.1168.7-84.4-59.1000111.9S1142 I1144 N1149 E1150 I1205S1142-N1146 WeakPolarHBondContact O-CB 3.39Å; S1142-N1146 PolarHBondContact O-N 3.27Å; S1142-N1146 PolarHBondContact O-ND2 3.33Å; S1142-N1146 PolarHBondContact OG-ND2 2.9Å; I1144-N1146 PolarHBondContact O-N 2.88Å; N1146-N1149 PolarHBondContact O-N 3.41Å; N1146-E1150 PolarHBondContact O-N 3.24Å; N1146-I1205 WeakPolarHBondContact ND2-CD1 3.24Å
1147Y88.7Confident85.8Confident6 Ų631.6 Ų31.62%0.02417%0.173CC..Hα-helixtrans-72.5-38.2173.8179.5-111.1000113.8W762 K763 M766 R767 D1143 I1144 F1145 N1149 E1150 M1151W762-Y1147 HydrophobicContact CE3-CD1 4.28Å; W762-Y1147 AromaticContact CH2-CD1 3.75Å; W762-Y1147 HydrophobicContact CH2-CD1 3.75Å; W762-Y1147 HydrophobicContact CH2-CE1 4.24Å; W762-Y1147 AromaticContact CZ3-CD1 3.55Å; W762-Y1147 HydrophobicContact CZ3-CD1 3.55Å; W762-Y1147 HydrophobicContact CZ3-CE1 4.29Å; W762-Y1147 HydrophobicContact CZ3-CG 4.45Å; K763-Y1147 HydrophobicContact CB-CG 4.32Å; K763-Y1147 HydrophobicContact CD-CD2 3.82Å; K763-Y1147 HydrophobicContact CD-CG 3.91Å; K763-Y1147 HydrophobicContact CG-CD1 4.38Å; K763-Y1147 HydrophobicContact CG-CD2 3.61Å; K763-Y1147 HydrophobicContact CG-CE2 4.07Å; K763-Y1147 HydrophobicContact CG-CG 3.78Å; M766-Y1147 HydrophobicContact CB-CE1 3.47Å; M766-Y1147 VanDerWaalsContact CB-CE1 3.47Å; M766-Y1147 VanDerWaalsContact CB-OH 3.22Å; M766-Y1147 WeakPolarHBondContact CB-OH 3.35Å; M766-Y1147 HydrophobicContact CG-CE1 4.28Å; M766-Y1147 PolarHBondContact O-OH 3.14Å; R767-Y1147 WeakPolarHBondContact CA-OH 3.35Å; R767-Y1147 HydrophobicContact CB-CE2 4.39Å; R767-Y1147 PolarHBondContact N-OH 2.92Å; D1143-Y1147 PolarHBondContact O-N 3.16Å; I1144-Y1147 CarbonylContact O-C 3.55Å; I1144-Y1147 WeakPolarHBondContact O-CA 3.4Å; I1144-Y1147 WeakPolarHBondContact O-CB 3.27Å; I1144-Y1147 PolarHBondContact O-N 3.41Å; F1145-Y1147 VanDerWaalsContact C-N 3.27Å; F1145-Y1147 PolarHBondContact O-N 3.12Å; Y1147-N1149 PolarHBondContact O-N 3.08Å; Y1147-E1150 HydrophobicContact CD2-CB 4.08Å; Y1147-E1150 HydrophobicContact CE2-CB 4.46Å; Y1147-E1150 WeakPolarHBondContact O-CB 3.43Å; Y1147-E1150 PolarHBondContact O-N 3.18Å; Y1147-E1150 VanDerWaalsContact O-N 3.17Å; Y1147-M1151 HydrophobicContact CE1-CB 4.31Å; Y1147-M1151 HydrophobicContact CE1-SD 4.15Å; Y1147-M1151 HydrophobicContact CE2-CB 4.32Å; Y1147-M1151 WeakPolarHBondContact O-CB 3.38Å; Y1147-M1151 PolarHBondContact O-N 2.88Å
1148L89.7Confident85.7Confident0 Ų028.4 Ų28.40%016%0.156CC..Hα-helixtrans-58.3-37.4172.5-67.8177.9000110.9W762 L1126 L1132 I1144 F1145 M1151 T1152 I1188W762-L1148 HydrophobicContact CH2-CD2 4.3Å; L1126-L1148 HydrophobicContact CD1-CD2 4.03Å; L1132-L1148 HydrophobicContact CD1-CD1 4.19Å; I1144-L1148 HydrophobicContact CG2-CD1 4.41Å; I1144-L1148 HydrophobicContact CG2-CG 4.45Å; I1144-L1148 PolarHBondContact O-N 3.18Å; F1145-L1148 HydrophobicContact CD1-CD1 4.37Å; F1145-L1148 HydrophobicContact CD2-CD1 4.5Å; F1145-L1148 HydrophobicContact CE1-CD1 4.33Å; F1145-L1148 HydrophobicContact CE2-CD1 4.46Å; F1145-L1148 HydrophobicContact CG-CD1 4.45Å; F1145-L1148 HydrophobicContact CZ-CD1 4.36Å; F1145-L1148 PolarHBondContact O-N 3.09Å; L1148-M1151 HydrophobicContact CD2-CE 3.75Å; L1148-T1152 VanDerWaalsContact O-CB 3.24Å; L1148-T1152 WeakPolarHBondContact O-CB 3.39Å; L1148-T1152 PolarHBondContact O-N 3.06Å; L1148-T1152 PolarHBondContact O-OG1 3.36Å; L1148-I1188 HydrophobicContact CD1-CG2 4.47Å
1149N89.5Confident85.4Confident22 Ų2227.6 Ų27.612%0.11815%0.147CC..Hα-helixtrans-65.3-51171.2-170.4-3.3000112.3F1145 N1146 Y1147 M1151 T1152 S1153 I1205 T1209F1145-N1149 PolarHBondContact O-N 3.4Å; N1146-N1149 PolarHBondContact O-N 3.41Å; Y1147-N1149 PolarHBondContact O-N 3.08Å; N1149-M1151 PolarHBondContact O-N 3.06Å; N1149-T1152 PolarHBondContact O-N 3.27Å; N1149-S1153 WeakPolarHBondContact O-CB 3.47Å; N1149-S1153 PolarHBondContact O-N 2.97Å; N1149-I1205 HydrophobicContact CB-CG2 4.09Å; N1149-T1209 WeakPolarHBondContact CB-OG1 3.16Å
1150E88.1Confident84.8Confident78 Ų7824.5 Ų24.536%0.36413%0.131SC..Hα-helixtrans-50.5-45.7174.8-77.9175.7-151.500112K763 N1146 Y1147 C1154K763-E1150 WeakPolarHBondContact CE-OE2 3.23Å; K763-E1150 IonicContact NZ-OE1 2.75Å; K763-E1150 PolarHBondContact NZ-OE1 2.76Å; K763-E1150 IonicContact NZ-OE2 2.82Å; K763-E1150 PolarHBondContact NZ-OE2 2.91Å; N1146-E1150 PolarHBondContact O-N 3.24Å; Y1147-E1150 HydrophobicContact CD2-CB 4.08Å; Y1147-E1150 HydrophobicContact CE2-CB 4.46Å; Y1147-E1150 WeakPolarHBondContact O-CB 3.43Å; Y1147-E1150 PolarHBondContact O-N 3.18Å; Y1147-E1150 VanDerWaalsContact O-N 3.17Å; E1150-C1154 PolarHBondContact O-N 2.89Å; E1150-C1154 PolarHBondContact O-SG 3.49Å
1151M88.3Confident84.5Confident2 Ų227.3 Ų27.31%0.0114%0.141CC..Hα-helixtrans-68.2-45.7179.6-175.8178.572.300112M766 T770 W1122 L1126 Y1147 L1148 N1149 S1153 C1154 L1155 I1185M766-M1151 HydrophobicContact CE-CE 4.47Å; M766-M1151 HydrophobicContact CE-SD 3.51Å; M766-M1151 VanDerWaalsContact CE-SD 3.51Å; T770-M1151 HydrophobicContact CG2-CG 4.42Å; W1122-M1151 HydrophobicContact CZ2-CE 4.1Å; W1122-M1151 HydrophobicContact CZ2-SD 3.88Å; L1126-M1151 HydrophobicContact CD1-CE 3.77Å; Y1147-M1151 HydrophobicContact CE1-CB 4.31Å; Y1147-M1151 HydrophobicContact CE1-SD 4.15Å; Y1147-M1151 HydrophobicContact CE2-CB 4.32Å; Y1147-M1151 WeakPolarHBondContact O-CB 3.38Å; Y1147-M1151 PolarHBondContact O-N 2.88Å; L1148-M1151 HydrophobicContact CD2-CE 3.75Å; N1149-M1151 PolarHBondContact O-N 3.06Å; M1151-S1153 VanDerWaalsContact C-N 3.35Å; M1151-S1153 PolarHBondContact O-N 2.99Å; M1151-C1154 CarbonylContact O-C 3.48Å; M1151-C1154 WeakPolarHBondContact O-CA 3.35Å; M1151-C1154 WeakPolarHBondContact O-CB 3.3Å; M1151-C1154 PolarHBondContact O-N 2.9Å; M1151-L1155 WeakPolarHBondContact O-CG 3.46Å; M1151-L1155 PolarHBondContact O-N 2.77Å; M1151-I1185 HydrophobicContact CE-CD1 3.61Å; M1151-I1185 HydrophobicContact CE-CG1 4.27Å
1152T87.6Confident83.8Confident0 Ų027.6 Ų27.60%014%0.142CC..Hα-helixtrans-58.5-47.1175.5-60.30000110.8L1148 N1149 C1154 L1155 L1156 V1182 I1185 T1209 I1213L1148-T1152 VanDerWaalsContact O-CB 3.24Å; L1148-T1152 WeakPolarHBondContact O-CB 3.39Å; L1148-T1152 PolarHBondContact O-N 3.06Å; L1148-T1152 PolarHBondContact O-OG1 3.36Å; N1149-T1152 PolarHBondContact O-N 3.27Å; T1152-C1154 PolarHBondContact O-N 2.63Å; T1152-L1155 PolarHBondContact O-N 3.27Å; T1152-L1155 VanDerWaalsContact O-N 3.17Å; T1152-L1156 HydrophobicContact CG2-CD1 3.66Å; T1152-L1156 HydrophobicContact CG2-CG 4.48Å; T1152-L1156 WeakPolarHBondContact O-CB 3.39Å; T1152-L1156 WeakPolarHBondContact O-CD1 3.34Å; T1152-L1156 WeakPolarHBondContact O-CG 3.37Å; T1152-L1156 PolarHBondContact O-N 3.29Å; T1152-V1182 HydrophobicContact CG2-CG1 4.45Å; T1152-I1185 WeakPolarHBondContact OG1-CD1 3.44Å; T1152-T1209 HydrophobicContact CG2-CG2 3.81Å; T1152-I1213 HydrophobicContact CG2-CD1 4Å; T1152-I1213 HydrophobicContact CG2-CG1 3.53Å
1153S85.4Confident82.6Confident21 Ų2131.7 Ų31.715%0.14717%0.171CC..Hα-helixtrans-60.1-27.4172.3-94.50000113.8N1149 M1151 K1157N1149-S1153 WeakPolarHBondContact O-CB 3.47Å; N1149-S1153 PolarHBondContact O-N 2.97Å; M1151-S1153 VanDerWaalsContact C-N 3.35Å; M1151-S1153 PolarHBondContact O-N 2.99Å; S1153-K1157 VanDerWaalsContact O-CD 3.3Å; S1153-K1157 WeakPolarHBondContact O-CD 3.17Å; S1153-K1157 VanDerWaalsContact O-CG 3.23Å; S1153-K1157 WeakPolarHBondContact O-CG 3.4Å; S1153-K1157 PolarHBondContact O-N 3.09Å
1154C84.2Confident81.5Confident39 Ų3928.8 Ų28.826%0.26416%0.157SC..Hα-helixtrans-76.1-47.6170.8-66.30000111.8T770 L782 E1150 M1151 T1152 L1156 K1157 I1158T770-C1154 HydrophobicContact CG2-CB 4.21Å; L782-C1154 HydrophobicContact CD1-CB 4.42Å; E1150-C1154 PolarHBondContact O-N 2.89Å; E1150-C1154 PolarHBondContact O-SG 3.49Å; M1151-C1154 CarbonylContact O-C 3.48Å; M1151-C1154 WeakPolarHBondContact O-CA 3.35Å; M1151-C1154 WeakPolarHBondContact O-CB 3.3Å; M1151-C1154 PolarHBondContact O-N 2.9Å; T1152-C1154 PolarHBondContact O-N 2.63Å; C1154-L1156 VanDerWaalsContact C-N 3.29Å; C1154-L1156 PolarHBondContact O-N 3Å; C1154-K1157 WeakPolarHBondContact O-CB 3.13Å; C1154-K1157 PolarHBondContact O-N 3.34Å; C1154-K1157 VanDerWaalsContact O-N 3.08Å; C1154-I1158 WeakPolarHBondContact O-CG1 3.47Å; C1154-I1158 PolarHBondContact O-N 3.07Å
1155L85.3Confident79.8Confident0 Ų032.3 Ų32.30%018%0.18CC..Hα-helixtrans-57.9-40.7177.6-64.7176.8000112.3T770 M773 W1122 M1151 T1152 I1158 R1159 P1180 V1182 I1185T770-L1155 HydrophobicContact CG2-CD2 4.31Å; M773-L1155 HydrophobicContact CE-CD2 3.59Å; W1122-L1155 HydrophobicContact CH2-CD1 4.22Å; W1122-L1155 HydrophobicContact CZ2-CD1 3.99Å; W1122-L1155 HydrophobicContact CZ2-CD2 4.44Å; M1151-L1155 WeakPolarHBondContact O-CG 3.46Å; M1151-L1155 PolarHBondContact O-N 2.77Å; T1152-L1155 PolarHBondContact O-N 3.27Å; T1152-L1155 VanDerWaalsContact O-N 3.17Å; L1155-I1158 HydrophobicContact CD2-CD1 4.43Å; L1155-I1158 WeakPolarHBondContact O-CB 3.42Å; L1155-I1158 PolarHBondContact O-N 2.79Å; L1155-R1159 PolarHBondContact O-N 3.06Å; L1155-P1180 HydrophobicContact CB-CB 4.47Å; L1155-V1182 HydrophobicContact CB-CG2 3.89Å; L1155-I1185 HydrophobicContact CD1-CD1 4.08Å
1156L81.4Confident77.6Confident11 Ų1137.5 Ų37.56%0.05822%0.216CC..Hα-helixtrans-67.1-35.9176.1-70159000112.2T1152 C1154 R1159 A1160 V1182 D1212T1152-L1156 HydrophobicContact CG2-CD1 3.66Å; T1152-L1156 HydrophobicContact CG2-CG 4.48Å; T1152-L1156 WeakPolarHBondContact O-CB 3.39Å; T1152-L1156 WeakPolarHBondContact O-CD1 3.34Å; T1152-L1156 WeakPolarHBondContact O-CG 3.37Å; T1152-L1156 PolarHBondContact O-N 3.29Å; C1154-L1156 VanDerWaalsContact C-N 3.29Å; C1154-L1156 PolarHBondContact O-N 3Å; L1156-R1159 PolarHBondContact O-N 3.06Å; L1156-A1160 WeakPolarHBondContact O-CB 3.24Å; L1156-A1160 PolarHBondContact O-N 3.31Å; L1156-V1182 HydrophobicContact CD2-CG1 4.21Å; L1156-V1182 HydrophobicContact CD2-CG2 4.13Å; L1156-V1182 HydrophobicContact CG-CG1 4.43Å; L1156-V1182 HydrophobicContact CG-CG2 4.27Å; L1156-D1212 HydrophobicContact CD1-CB 4.37Å; L1156-D1212 VanDerWaalsContact CD1-O 3.24Å; L1156-D1212 WeakPolarHBondContact CD1-O 3.38Å
1157K80.1Confident75.5Confident99 Ų9938.8 Ų38.843%0.4323%0.226SC..Hα-helixtrans-67.6-37.4171.5-75.5167.5-172.7169.60112.2L785 S1153 C1154 A1160 Y1161L785-K1157 HydrophobicContact CD1-CB 4.33Å; S1153-K1157 VanDerWaalsContact O-CD 3.3Å; S1153-K1157 WeakPolarHBondContact O-CD 3.17Å; S1153-K1157 VanDerWaalsContact O-CG 3.23Å; S1153-K1157 WeakPolarHBondContact O-CG 3.4Å; S1153-K1157 PolarHBondContact O-N 3.09Å; C1154-K1157 WeakPolarHBondContact O-CB 3.13Å; C1154-K1157 PolarHBondContact O-N 3.34Å; C1154-K1157 VanDerWaalsContact O-N 3.08Å; K1157-A1160 PolarHBondContact O-N 2.95Å; K1157-Y1161 WeakPolarHBondContact O-CB 3.33Å; K1157-Y1161 WeakPolarHBondContact O-CD2 3.49Å; K1157-Y1161 PolarHBondContact O-N 3.16Å; K1157-Y1161 VanDerWaalsContact O-N 3.09Å
1158I79.4Confident73.1Confident0 Ų043 Ų430%025%0.252CS..Hα-helixtrans-60-49.2172.8-63.3167.1000109.3S774 Y778 V780 L782 C1154 L1155 A1160 Y1161 Q1162 P1180S774-I1158 WeakPolarHBondContact OG-CG1 3.32Å; Y778-I1158 HydrophobicContact CD1-CG2 4.05Å; Y778-I1158 HydrophobicContact CD2-CG2 3.66Å; Y778-I1158 HydrophobicContact CE2-CG2 4.49Å; Y778-I1158 HydrophobicContact CG-CG2 3.41Å; Y778-I1158 VanDerWaalsContact CG-CG2 3.41Å; V780-I1158 HydrophobicContact CB-CG2 4.49Å; V780-I1158 HydrophobicContact CG2-CG2 4.25Å; L782-I1158 HydrophobicContact CD2-CG1 4Å; C1154-I1158 WeakPolarHBondContact O-CG1 3.47Å; C1154-I1158 PolarHBondContact O-N 3.07Å; L1155-I1158 HydrophobicContact CD2-CD1 4.43Å; L1155-I1158 WeakPolarHBondContact O-CB 3.42Å; L1155-I1158 PolarHBondContact O-N 2.79Å; I1158-A1160 VanDerWaalsContact C-N 3.28Å; I1158-A1160 PolarHBondContact O-N 3.41Å; I1158-Y1161 PolarHBondContact O-N 3.42Å; I1158-Q1162 WeakPolarHBondContact O-CB 3.41Å; I1158-Q1162 PolarHBondContact O-N 3.15Å; I1158-P1180 HydrophobicContact CB-CG 4.25Å; I1158-P1180 HydrophobicContact CG2-CG 3.85Å
1159R76.6Confident70.7Confident26 Ų2652.8 Ų52.810%0.09830%0.298CS..Hα-helixtrans-59.3-36.6177.4-165.8175.2-177.1175.1-2.2112.7L1155 L1156 Q1162 P1180 H1218 D1219 R2115L1155-R1159 PolarHBondContact O-N 3.06Å; L1156-R1159 PolarHBondContact O-N 3.06Å; R1159-Q1162 WeakPolarHBondContact O-CG 3.42Å; R1159-Q1162 PolarHBondContact O-NE2 3.3Å; R1159-P1180 HydrophobicContact CB-CB 4.39Å; R1159-P1180 HydrophobicContact CB-CG 3.87Å; R1159-P1180 HydrophobicContact CG-CG 4.46Å; R1159-H1218 PolarHBondContact NH1-CE1 2.95Å; R1159-H1218 PolarHBondContact NH1-ND1 3.18Å; R1159-D1219 VanDerWaalsContact NH2-N 3.18Å; R1159-D1219 PolarHBondContact NH2-O 3.06Å; R1159-R2115 PolarHBondContact O-NH1 3.38Å
1160A71.5Confident68.4Low27 Ų2758.3 Ų58.322%0.22333%0.333CS..Hα-helixtrans-75-24.8179.500000114.7L1156 K1157 I1158L1156-A1160 WeakPolarHBondContact O-CB 3.24Å; L1156-A1160 PolarHBondContact O-N 3.31Å; K1157-A1160 PolarHBondContact O-N 2.95Å; I1158-A1160 VanDerWaalsContact C-N 3.28Å; I1158-A1160 PolarHBondContact O-N 3.41Å
1161Y74.4Confident65.8Low69 Ų6957.8 Ų57.827%0.27134%0.337SS..Hα-helixtrans-118.3-0.3-172.2-76.3-84.5000115.1L785 P786 K1157 I1158L785-Y1161 HydrophobicContact CD1-CD2 4.45Å; L785-Y1161 HydrophobicContact CD2-CD1 3.72Å; L785-Y1161 HydrophobicContact CD2-CD2 3.71Å; L785-Y1161 HydrophobicContact CD2-CE1 4.26Å; L785-Y1161 HydrophobicContact CD2-CE2 4.25Å; L785-Y1161 HydrophobicContact CD2-CG 3.41Å; L785-Y1161 VanDerWaalsContact CD2-CG 3.41Å; P786-Y1161 HydrophobicContact CG-CE1 3.89Å; K1157-Y1161 WeakPolarHBondContact O-CB 3.33Å; K1157-Y1161 WeakPolarHBondContact O-CD2 3.49Å; K1157-Y1161 PolarHBondContact O-N 3.16Å; K1157-Y1161 VanDerWaalsContact O-N 3.09Å; I1158-Y1161 PolarHBondContact O-N 3.42Å
1162Q72.2Confident63.6Low7 Ų763.5 Ų63.53%0.03337%0.371CS..SBendtrans-60.4140.6170.564.5-164.8-200111.5V780 I1158 R1159 V1164 P1176 F1178 D1219V780-Q1162 HydrophobicContact CG2-CB 4.16Å; I1158-Q1162 WeakPolarHBondContact O-CB 3.41Å; I1158-Q1162 PolarHBondContact O-N 3.15Å; R1159-Q1162 WeakPolarHBondContact O-CG 3.42Å; R1159-Q1162 PolarHBondContact O-NE2 3.3Å; Q1162-V1164 PolarHBondContact O-N 3.01Å; Q1162-P1176 HydrophobicContact CG-CB 4.25Å; Q1162-P1176 HydrophobicContact CG-CG 4.47Å; Q1162-P1176 VanDerWaalsContact NE2-CG 3.26Å; Q1162-F1178 PolarHBondContact OE1-O 3.15Å; Q1162-D1219 PolarHBondContact NE2-OD2 3.06Å
1163S61Low61.5Low102 Ų10266.7 Ų66.771%0.71339%0.386SS*.PPolyproline II helixtrans-76.5116.6180540000111.3
1164V60Low59.5Low40 Ų4067.2 Ų67.224%0.24239%0.389CS..PPolyproline II helixtrans-76.4139169.6-175.40000109.4Q1162 P1174Q1162-V1164 PolarHBondContact O-N 3.01Å; V1164-P1174 HydrophobicContact CG1-CG 4.12Å; V1164-P1174 WeakPolarHBondContact CG1-O 3.16Å
1165P52.4Low57.8Low75 Ų7571.4 Ų71.449%0.48741%0.408SS..PPolyproline II helixtrans-60.1146172.4-23.234.5000112.2V1167 P1174P1165-V1167 PolarHBondContact O-N 3.41Å; P1165-P1174 HydrophobicContact CB-CG 4.28Å; P1165-P1174 WeakPolarHBondContact O-CG 3.38Å
1166S44.9Very low56.2Low110 Ų11071.9 Ų71.977%0.76941%0.411SS*.PPolyproline II helixtrans-63.3128175.352.70000111.1
1167V45Very low54.9Low81 Ų8176.9 Ų76.949%0.49143%0.434SS..PPolyproline II helixtrans-56.4134.4178-178.50000110.9P1165P1165-V1167 PolarHBondContact O-N 3.41Å
1168T37.6Very low54.2Low93 Ų9374.9 Ų74.957%0.57143%0.425SS*.  trans-106.3153.1164.948.50000109.7T1170 C1171T1168-T1170 PolarHBondContact O-N 3.35Å; T1168-C1171 PolarHBondContact O-N 2.68Å; T1168-C1171 VanDerWaalsContact O-N 3.15Å
1169E40.8Very low53.7Low206 Ų20678.5 Ų78.596%0.96345%0.447SS*.THydrogen-bonded Turntrans-58-11.1-164.1-61.3179.1150.300116.2
1170T40.1Very low53.9Low139 Ų13977.4 Ų77.485%0.85344%0.444SS*.THydrogen-bonded Turntrans-111.23.5-176.157.80000115T1168T1168-T1170 PolarHBondContact O-N 3.35Å
1171C33.6Very low54.2Low66 Ų6677.3 Ų77.345%0.44644%0.441SS..  trans-131120-175.3-165.20000113.5T1168 Q1173T1168-C1171 PolarHBondContact O-N 2.68Å; T1168-C1171 VanDerWaalsContact O-N 3.15Å; C1171-Q1173 PolarHBondContact O-N 2.91Å
1172V42.4Very low54.4Low122 Ų12274 Ų7474%0.73943%0.428SS*.SBendtrans-70.5117172.6-179.80000109.4
1173Q42.6Very low54.6Low67 Ų6776.6 Ų76.631%0.31344%0.442SS..  trans41.988.1168.4-66-69.8-26.200115.2C1171 I1175C1171-Q1173 PolarHBondContact O-N 2.91Å; Q1173-I1175 PolarHBondContact O-N 2.87Å
1174P45.2Very low55.4Low32 Ų3277.5 Ų77.521%0.20843%0.433CS..  trans-65.3108.4179.327-33.4000111.3V1164 P1165V1164-P1174 HydrophobicContact CG1-CG 4.12Å; V1164-P1174 WeakPolarHBondContact CG1-O 3.16Å; P1165-P1174 HydrophobicContact CB-CG 4.28Å; P1165-P1174 WeakPolarHBondContact O-CG 3.38Å
1175I48.4Very low56.6Low127 Ų12775.6 Ų75.665%0.65142%0.422SS*.  trans-56.1131.7176.7-59.2174.8000109.3Q1173 Q1177Q1173-I1175 PolarHBondContact O-N 2.87Å; I1175-Q1177 PolarHBondContact O-N 3.07Å
1176P50.8Low58.2Low11 Ų1172.2 Ų72.27%0.07140%0.4CS..  trans-59.212717921.3-31.2000111.1Q1162 F1178Q1162-P1176 HydrophobicContact CG-CB 4.25Å; Q1162-P1176 HydrophobicContact CG-CG 4.47Å; Q1162-P1176 VanDerWaalsContact NE2-CG 3.26Å; P1176-F1178 PolarHBondContact O-N 2.89Å
1177Q54.5Low60.1Low116 Ų11670.3 Ų70.354%0.54239%0.385SS..SBendtrans-55.3-23.5-167.4-168.2-17821.900115.1L840 I1175L840-Q1177 PolarHBondContact O-NE2 2.69Å; I1175-Q1177 PolarHBondContact O-N 3.07Å
1178F64.8Low62.1Low56 Ų5667.7 Ų67.725%0.24637%0.368CS..SBendtrans-127.1120.4176.6-59.3-87.4000108.6V777 Y778 L844 Q1162 P1176V777-F1178 HydrophobicContact CG1-CD1 4.41Å; Y778-F1178 HydrophobicContact CD1-CB 3.96Å; Y778-F1178 HydrophobicContact CE1-CB 3.58Å; Y778-F1178 WeakPolarHBondContact CE1-O 3.44Å; L844-F1178 HydrophobicContact CD1-CD1 3.44Å; L844-F1178 VanDerWaalsContact CD1-CD1 3.44Å; L844-F1178 HydrophobicContact CD1-CE1 3.62Å; Q1162-F1178 PolarHBondContact OE1-O 3.15Å; P1176-F1178 PolarHBondContact O-N 2.89Å
1179V69.3Low64.6Low76 Ų7663.3 Ų63.346%0.46134%0.341SS..  trans-95.4130.5176.1-176.70000109.8Y778Y778-V1179 PolarHBondContact OH-O 2.99Å; Y778-V1179 VanDerWaalsContact OH-O 3.11Å
1180P80Confident66.9Low4 Ų455.4 Ų55.43%0.02630%0.303CS..  trans-60.4133.4174.8-31.340.1000113.4Y778 L1155 I1158 R1159 V1182Y778-P1180 HydrophobicContact CD1-CG 4.01Å; Y778-P1180 HydrophobicContact CE1-CB 4.45Å; Y778-P1180 HydrophobicContact CE1-CG 3.73Å; Y778-P1180 WeakPolarHBondContact OH-CA 3.34Å; L1155-P1180 HydrophobicContact CB-CB 4.47Å; I1158-P1180 HydrophobicContact CB-CG 4.25Å; I1158-P1180 HydrophobicContact CG2-CG 3.85Å; R1159-P1180 HydrophobicContact CB-CB 4.39Å; R1159-P1180 HydrophobicContact CB-CG 3.87Å; R1159-P1180 HydrophobicContact CG-CG 4.46Å; P1180-V1182 HydrophobicContact CB-CG2 4.49Å; P1180-V1182 PolarHBondContact O-N 3.09Å
1181P77.5Confident69.2Low24 Ų2453 Ų5316%0.15629%0.285CS..  trans-78.753.4-16833.2-39.7000113.9M773 Y778 W1122 N1183 F1184M773-P1181 HydrophobicContact CE-CG 4.4Å; Y778-P1181 WeakPolarHBondContact OH-CD 3.48Å; W1122-P1181 HydrophobicContact CE3-CG 4.38Å; W1122-P1181 HydrophobicContact CH2-CG 3.91Å; W1122-P1181 HydrophobicContact CZ3-CB 4.31Å; W1122-P1181 HydrophobicContact CZ3-CG 3.76Å; P1181-N1183 PolarHBondContact O-N 3.2Å; P1181-F1184 HydrophobicContact CB-CD2 3.54Å; P1181-F1184 HydrophobicContact CB-CE2 3.82Å
1182V78.6Confident71.8Confident1 Ų149.8 Ų49.81%0.00626%0.264CS..G310 helixtrans-62.1-44.9-175.7-179.80000112.1T1152 L1155 L1156 P1180 F1184 I1185 I1213T1152-V1182 HydrophobicContact CG2-CG1 4.45Å; L1155-V1182 HydrophobicContact CB-CG2 3.89Å; L1156-V1182 HydrophobicContact CD2-CG1 4.21Å; L1156-V1182 HydrophobicContact CD2-CG2 4.13Å; L1156-V1182 HydrophobicContact CG-CG1 4.43Å; L1156-V1182 HydrophobicContact CG-CG2 4.27Å; P1180-V1182 HydrophobicContact CB-CG2 4.49Å; P1180-V1182 PolarHBondContact O-N 3.09Å; V1182-F1184 PolarHBondContact O-N 3.28Å; V1182-F1184 VanDerWaalsContact O-N 3.1Å; V1182-I1185 PolarHBondContact O-N 3.23Å; V1182-I1213 HydrophobicContact CG1-CB 4.26Å; V1182-I1213 HydrophobicContact CG1-CD1 4.3Å; V1182-I1213 HydrophobicContact CG1-CG1 3.67Å; V1182-I1213 HydrophobicContact CG1-CG2 3.93Å
1183N77.3Confident74Confident60 Ų6045.8 Ų45.832%0.32124%0.237SC..G310 helixtrans-64.2-20.1-172-63.424.9000113.9P1181 I1185 A1186 P1187P1181-N1183 PolarHBondContact O-N 3.2Å; N1183-I1185 PolarHBondContact O-N 2.65Å; N1183-I1185 VanDerWaalsContact O-N 3.1Å; N1183-A1186 PolarHBondContact O-N 3.46Å; N1183-A1186 VanDerWaalsContact O-N 3.13Å; N1183-P1187 WeakPolarHBondContact O-CD 3.35Å
1184F78.4Confident76.1Confident122 Ų12247.6 Ų47.654%0.53526%0.257SS..G310 helixtrans-60.6-21177.3-76.9-94.4000113.5P1181 V1182P1181-F1184 HydrophobicContact CB-CD2 3.54Å; P1181-F1184 HydrophobicContact CB-CE2 3.82Å; V1182-F1184 PolarHBondContact O-N 3.28Å; V1182-F1184 VanDerWaalsContact O-N 3.1Å
1185I84.8Confident78Confident0 Ų047.6 Ų47.60%026%0.256CS..G310 helixtrans-86.4-30.1-179.4-52.6172000110.6M1151 T1152 L1155 V1182 N1183 I1188 L1189M1151-I1185 HydrophobicContact CE-CD1 3.61Å; M1151-I1185 HydrophobicContact CE-CG1 4.27Å; T1152-I1185 WeakPolarHBondContact OG1-CD1 3.44Å; L1155-I1185 HydrophobicContact CD1-CD1 4.08Å; V1182-I1185 PolarHBondContact O-N 3.23Å; N1183-I1185 PolarHBondContact O-N 2.65Å; N1183-I1185 VanDerWaalsContact O-N 3.1Å; I1185-I1188 VanDerWaalsContact O-CB 3.31Å; I1185-I1188 WeakPolarHBondContact O-CB 3.46Å; I1185-I1188 PolarHBondContact O-N 3.19Å; I1185-L1189 HydrophobicContact CG2-CD1 4.1Å; I1185-L1189 HydrophobicContact CG2-CD2 4.15Å; I1185-L1189 HydrophobicContact CG2-CG 4.05Å; I1185-L1189 PolarHBondContact O-N 3.17Å
1186A84.7Confident79.7Confident3 Ų344.3 Ų44.33%0.02524%0.244CC..Hα-helixtrans-57.2-43.6-170.500000114.9N1183 I1188 L1189 F1190 L1210 L1226N1183-A1186 PolarHBondContact O-N 3.46Å; N1183-A1186 VanDerWaalsContact O-N 3.13Å; A1186-I1188 PolarHBondContact O-N 3.43Å; A1186-L1189 WeakPolarHBondContact O-CB 3.45Å; A1186-L1189 PolarHBondContact O-N 2.28Å; A1186-F1190 HydrophobicContact CB-CE2 4.24Å; A1186-F1190 WeakPolarHBondContact O-CD2 3.18Å; A1186-F1190 PolarHBondContact O-N 3.4Å; A1186-L1210 HydrophobicContact CB-CD2 4.19Å; A1186-L1226 HydrophobicContact CB-CD1 3.74Å
1187P85Confident81.3Confident70 Ų7047.9 Ų47.946%0.45526%0.259SS..Hα-helixtrans-60.6-31.4176.9-24.835.3000113.8N1183 N1191N1183-P1187 WeakPolarHBondContact O-CD 3.35Å; P1187-N1191 WeakPolarHBondContact O-CB 3.5Å; P1187-N1191 VanDerWaalsContact O-CG 3.26Å; P1187-N1191 PolarHBondContact O-N 3.03Å
1188I87.3Confident82.7Confident27 Ų2749.5 Ų49.514%0.13827%0.267CS..Hα-helixtrans-66-42.7175.5-56.3176.3000109.7L1132 H1133 F1145 L1148 I1185 A1186 T1192L1132-I1188 HydrophobicContact CD1-CG2 3.78Å; H1133-I1188 PolarHBondContact NE2-O 2.71Å; F1145-I1188 HydrophobicContact CE1-CG2 4.47Å; F1145-I1188 HydrophobicContact CZ-CG2 4.01Å; L1148-I1188 HydrophobicContact CD1-CG2 4.47Å; I1185-I1188 VanDerWaalsContact O-CB 3.31Å; I1185-I1188 WeakPolarHBondContact O-CB 3.46Å; I1185-I1188 PolarHBondContact O-N 3.19Å; A1186-I1188 PolarHBondContact O-N 3.43Å; I1188-T1192 PolarHBondContact O-N 3.02Å; I1188-T1192 PolarHBondContact O-OG1 3.04Å
1189L90.3Very high83.8Confident0 Ų047.8 Ų47.80%026%0.26CS..Hα-helixtrans-69.5-41.1-177.7-53.1176.7000112.2F1145 I1185 A1186 T1192 A1206 T1209 L1210 I1213F1145-L1189 HydrophobicContact CD1-CD2 4.01Å; F1145-L1189 HydrophobicContact CE1-CD2 3.79Å; I1185-L1189 HydrophobicContact CG2-CD1 4.1Å; I1185-L1189 HydrophobicContact CG2-CD2 4.15Å; I1185-L1189 HydrophobicContact CG2-CG 4.05Å; I1185-L1189 PolarHBondContact O-N 3.17Å; A1186-L1189 WeakPolarHBondContact O-CB 3.45Å; A1186-L1189 PolarHBondContact O-N 2.28Å; L1189-T1192 WeakPolarHBondContact O-CB 3.29Å; L1189-T1192 PolarHBondContact O-N 3.21Å; L1189-A1206 HydrophobicContact CB-CB 4.2Å; L1189-A1206 HydrophobicContact CD2-CB 4.08Å; L1189-T1209 HydrophobicContact CD1-CG2 3.64Å; L1189-T1209 HydrophobicContact CD2-CG2 4.43Å; L1189-L1210 HydrophobicContact CB-CD1 3.92Å; L1189-L1210 HydrophobicContact CB-CD2 3.91Å; L1189-L1210 HydrophobicContact CB-CG 3.69Å; L1189-L1210 HydrophobicContact CD1-CD2 3.9Å; L1189-L1210 HydrophobicContact CD1-CG 3.81Å; L1189-L1210 HydrophobicContact CG-CG 4.41Å; L1189-I1213 HydrophobicContact CD1-CD1 3.68Å
1190F90.3Very high84.7Confident41 Ų4147.9 Ų47.918%0.1826%0.256CS..Hα-helixtrans-62.1-46.2174-72.9-66.9000111.6A1186 T1192 M1193 L1210 L1226 F1230 L1233A1186-F1190 HydrophobicContact CB-CE2 4.24Å; A1186-F1190 WeakPolarHBondContact O-CD2 3.18Å; A1186-F1190 PolarHBondContact O-N 3.4Å; F1190-T1192 PolarHBondContact O-N 3.33Å; F1190-T1192 VanDerWaalsContact O-N 3.14Å; F1190-M1193 VanDerWaalsContact O-CB 3.3Å; F1190-M1193 WeakPolarHBondContact O-CB 3.48Å; F1190-M1193 WeakPolarHBondContact O-CG 3.49Å; F1190-M1193 PolarHBondContact O-N 3.09Å; F1190-L1210 HydrophobicContact CD1-CD1 4.01Å; F1190-L1210 HydrophobicContact CD2-CD2 4.25Å; F1190-L1210 HydrophobicContact CE1-CD1 3.98Å; F1190-L1210 HydrophobicContact CE1-CD2 4.3Å; F1190-L1210 HydrophobicContact CE2-CD2 3.85Å; F1190-L1210 HydrophobicContact CG-CD1 4.43Å; F1190-L1210 HydrophobicContact CZ-CD1 4.39Å; F1190-L1210 HydrophobicContact CZ-CD2 3.87Å; F1190-L1226 HydrophobicContact CE2-CD1 3.64Å; F1190-L1226 HydrophobicContact CZ-CD1 4.03Å; F1190-F1230 HydrophobicContact CZ-CB 4.35Å; F1190-L1233 HydrophobicContact CD1-CD2 3.96Å; F1190-L1233 HydrophobicContact CE1-CB 4.3Å; F1190-L1233 HydrophobicContact CE1-CD2 3.94Å
1191N87.5Confident85.1Confident87 Ų8751.8 Ų51.847%0.46527%0.274SS..Hα-helixtrans-64-18.7178.4-70.9-5.5000113.5H1133 P1187 M1193 S1194H1133-N1191 PolarHBondContact CD2-O 2.87Å; H1133-N1191 VanDerWaalsContact NE2-C 3.3Å; H1133-N1191 PolarHBondContact NE2-O 3.01Å; P1187-N1191 WeakPolarHBondContact O-CB 3.5Å; P1187-N1191 VanDerWaalsContact O-CG 3.26Å; P1187-N1191 PolarHBondContact O-N 3.03Å; N1191-M1193 VanDerWaalsContact C-N 3.29Å; N1191-S1194 PolarHBondContact O-OG 2.93Å
1192T88.8Confident85.6Confident0 Ų050.7 Ų50.70%027%0.267CS..Hα-helixtrans-72.1-22.4173.3-62.20000112.6H1133 F1145 I1188 L1189 F1190 S1194 L1195 A1202 K1203 A1206H1133-T1192 PolarHBondContact NE2-N 3.41Å; H1133-T1192 PolarHBondContact NE2-OG1 3.41Å; F1145-T1192 HydrophobicContact CD1-CG2 4.43Å; F1145-T1192 HydrophobicContact CE1-CG2 3.89Å; F1145-T1192 WeakPolarHBondContact CE1-OG1 3.42Å; F1145-T1192 HydrophobicContact CZ-CG2 4.11Å; F1145-T1192 WeakPolarHBondContact CZ-OG1 3.3Å; I1188-T1192 PolarHBondContact O-N 3.02Å; I1188-T1192 PolarHBondContact O-OG1 3.04Å; L1189-T1192 WeakPolarHBondContact O-CB 3.29Å; L1189-T1192 PolarHBondContact O-N 3.21Å; F1190-T1192 PolarHBondContact O-N 3.33Å; F1190-T1192 VanDerWaalsContact O-N 3.14Å; T1192-S1194 VanDerWaalsContact C-N 3.3Å; T1192-S1194 PolarHBondContact O-N 3.46Å; T1192-L1195 HydrophobicContact CG2-CD1 3.81Å; T1192-L1195 WeakPolarHBondContact O-CB 3.48Å; T1192-L1195 WeakPolarHBondContact O-CG 3.38Å; T1192-L1195 PolarHBondContact O-N 2.72Å; T1192-A1202 HydrophobicContact CG2-CB 4.45Å; T1192-K1203 HydrophobicContact CG2-CG 4.41Å; T1192-A1206 HydrophobicContact CG2-CB 4.05Å
1193M88.2Confident86.3Confident38 Ų3851.3 Ų51.319%0.18727%0.27CS..Hα-helixtrans-65.6-34.1179.8-59.2-62.2106.500112.1F1190 N1191 L1195 K1203 A1206 I1207 L1233F1190-M1193 VanDerWaalsContact O-CB 3.3Å; F1190-M1193 WeakPolarHBondContact O-CB 3.48Å; F1190-M1193 WeakPolarHBondContact O-CG 3.49Å; F1190-M1193 PolarHBondContact O-N 3.09Å; N1191-M1193 VanDerWaalsContact C-N 3.29Å; M1193-L1195 VanDerWaalsContact C-N 3.26Å; M1193-L1195 PolarHBondContact O-N 3.23Å; M1193-K1203 HydrophobicContact CE-CB 4.32Å; M1193-K1203 WeakPolarHBondContact O-CE 3.08Å; M1193-K1203 PolarHBondContact O-NZ 3Å; M1193-A1206 HydrophobicContact CE-CB 3.49Å; M1193-A1206 VanDerWaalsContact CE-CB 3.49Å; M1193-I1207 HydrophobicContact CE-CG1 4.05Å; M1193-I1207 HydrophobicContact SD-CD1 4.29Å; M1193-I1207 HydrophobicContact SD-CG1 3.83Å; M1193-L1233 HydrophobicContact CB-CD1 4.32Å; M1193-L1233 HydrophobicContact CG-CD1 3.7Å; M1193-L1233 HydrophobicContact CG-CD2 3.99Å; M1193-L1233 HydrophobicContact SD-CD1 4.01Å; M1193-L1233 HydrophobicContact SD-CD2 4.15Å
1194S85.6Confident87Confident105 Ų10550.3 Ų50.373%0.73426%0.262SS*.THydrogen-bonded Turntrans-80.510-179.653.50000115.4N1191 T1192N1191-S1194 PolarHBondContact O-OG 2.93Å; T1192-S1194 VanDerWaalsContact C-N 3.3Å; T1192-S1194 PolarHBondContact O-N 3.46Å
1195L86.1Confident87.6Confident32 Ų3244.5 Ų44.517%0.16824%0.237CC..SBendtrans-77.2167174.7-64.9172.8000112.3H1133 M1141 T1192 M1193 F1199 K1203H1133-L1195 HydrophobicContact CB-CD2 4.34Å; M1141-L1195 HydrophobicContact CE-CD1 3.53Å; M1141-L1195 HydrophobicContact SD-CD1 3.74Å; T1192-L1195 HydrophobicContact CG2-CD1 3.81Å; T1192-L1195 WeakPolarHBondContact O-CB 3.48Å; T1192-L1195 WeakPolarHBondContact O-CG 3.38Å; T1192-L1195 PolarHBondContact O-N 2.72Å; M1193-L1195 VanDerWaalsContact C-N 3.26Å; M1193-L1195 PolarHBondContact O-N 3.23Å; L1195-F1199 HydrophobicContact CB-CB 4.32Å; L1195-F1199 HydrophobicContact CB-CD2 4.28Å; L1195-F1199 HydrophobicContact CB-CG 4.48Å; L1195-F1199 HydrophobicContact CD1-CB 4.29Å; L1195-F1199 HydrophobicContact CD1-CG 4.34Å; L1195-K1203 WeakPolarHBondContact O-CE 3.38Å; L1195-K1203 PolarHBondContact O-NZ 3.48Å
1196S84.7Confident88Confident58 Ų5844.5 Ų44.541%0.40624%0.237SC..  trans-64.4162.2171.369.10000111.8E1198 F1199S1196-E1198 PolarHBondContact O-N 2.83Å; S1196-F1199 PolarHBondContact O-N 2.96Å; S1196-F1199 VanDerWaalsContact OG-CD2 3.32Å; S1196-F1199 WeakPolarHBondContact OG-CD2 3.36Å; S1196-F1199 WeakPolarHBondContact OG-CE2 3.21Å
1197E83.8Confident88.3Confident85 Ų8544.5 Ų44.540%0.39724%0.237SC..G310 helixtrans-72.2-7.3179.4-57.3-68.7-146.400113.5F1199 M1200 K1203 Q1242 Y1245E1197-F1199 PolarHBondContact O-N 3.46Å; E1197-F1199 VanDerWaalsContact O-N 3.14Å; E1197-M1200 WeakPolarHBondContact O-CG 3.44Å; E1197-M1200 PolarHBondContact O-N 2.9Å; E1197-K1203 IonicContact OE2-NZ 3.95Å; E1197-K1203 PolarHBondContact OE2-NZ 2.92Å; E1197-Q1242 PolarHBondContact OE1-NE2 2.82Å; E1197-Y1245 PolarHBondContact OE2-OH 2.97Å
1198E84.4Confident88.6Confident151 Ų15144.3 Ų44.371%0.70623%0.227SC*.G310 helixtrans-61.4-21169.3-61.1176.8150.200111.9P1138 S1196P1138-E1198 WeakPolarHBondContact CB-O 3.42Å; P1138-E1198 HydrophobicContact CG-CB 4.34Å; S1196-E1198 PolarHBondContact O-N 2.83Å
1199F86.6Confident88.7Confident20 Ų2043 Ų439%0.08822%0.22CC..G310 helixtrans-98.922.9-179.8-59.9-90.6000114P1138 M1141 L1195 S1196 E1197 E1201 A1202 K1203P1138-F1199 HydrophobicContact CB-CD1 3.95Å; P1138-F1199 HydrophobicContact CB-CE1 4.11Å; P1138-F1199 HydrophobicContact CG-CD1 4.14Å; P1138-F1199 HydrophobicContact CG-CE1 3.92Å; P1138-F1199 HydrophobicContact CG-CZ 4.18Å; M1141-F1199 HydrophobicContact CB-CD1 4.18Å; M1141-F1199 HydrophobicContact CB-CE1 4.33Å; M1141-F1199 HydrophobicContact CG-CD1 4.41Å; M1141-F1199 HydrophobicContact SD-CD1 3.48Å; M1141-F1199 WeakPolarHBondContact SD-CD1 3.33Å; M1141-F1199 HydrophobicContact SD-CE1 3.77Å; M1141-F1199 HydrophobicContact SD-CG 4.34Å; L1195-F1199 HydrophobicContact CB-CB 4.32Å; L1195-F1199 HydrophobicContact CB-CD2 4.28Å; L1195-F1199 HydrophobicContact CB-CG 4.48Å; L1195-F1199 HydrophobicContact CD1-CB 4.29Å; L1195-F1199 HydrophobicContact CD1-CG 4.34Å; S1196-F1199 PolarHBondContact O-N 2.96Å; S1196-F1199 VanDerWaalsContact OG-CD2 3.32Å; S1196-F1199 WeakPolarHBondContact OG-CD2 3.36Å; S1196-F1199 WeakPolarHBondContact OG-CE2 3.21Å; E1197-F1199 PolarHBondContact O-N 3.46Å; E1197-F1199 VanDerWaalsContact O-N 3.14Å; F1199-E1201 PolarHBondContact O-N 2.92Å; F1199-A1202 HydrophobicContact CB-CB 4.48Å; F1199-A1202 PolarHBondContact O-N 2.86Å; F1199-K1203 PolarHBondContact O-N 3.21Å
1200M89.1Confident88.7Confident77 Ų7743 Ų4338%0.37922%0.22SC..Hα-helixtrans-44.4-44.5-177.7-72.3-150.1-81.300114.1E1197 K1203 K1204 N1244 Y1245E1197-M1200 WeakPolarHBondContact O-CG 3.44Å; E1197-M1200 PolarHBondContact O-N 2.9Å; M1200-K1203 WeakPolarHBondContact O-CB 3.32Å; M1200-K1203 PolarHBondContact O-N 3.48Å; M1200-K1204 WeakPolarHBondContact O-CG 3.43Å; M1200-K1204 PolarHBondContact O-N 2.97Å; M1200-N1244 HydrophobicContact SD-CB 4.34Å; M1200-Y1245 WeakPolarHBondContact CG-OH 3.47Å
1201E88.2Confident88.6Confident86 Ų8641.1 Ų41.140%0.40221%0.212SC..Hα-helixtrans-70.5-38.9-176.4-167.759.6-157.700112.2S1142 F1199 K1203 K1204 I1205S1142-E1201 WeakPolarHBondContact OG-CG 3.25Å; F1199-E1201 PolarHBondContact O-N 2.92Å; E1201-K1203 VanDerWaalsContact C-N 3.31Å; E1201-K1203 PolarHBondContact O-N 3.09Å; E1201-K1204 PolarHBondContact O-N 3.39Å; E1201-I1205 HydrophobicContact CG-CD1 4.08Å; E1201-I1205 WeakPolarHBondContact O-CD1 3.11Å; E1201-I1205 VanDerWaalsContact O-CG1 3.23Å; E1201-I1205 WeakPolarHBondContact O-CG1 3.47Å; E1201-I1205 PolarHBondContact O-N 3.34Å
1202A88.9Confident88.5Confident2 Ų237.8 Ų37.82%0.01719%0.194CC..Hα-helixtrans-64.5-37.117400000111.4M1141 F1145 T1192 F1199 A1206M1141-A1202 HydrophobicContact CG-CB 4.08Å; M1141-A1202 HydrophobicContact SD-CB 4.44Å; F1145-A1202 HydrophobicContact CG-CB 4.48Å; T1192-A1202 HydrophobicContact CG2-CB 4.45Å; F1199-A1202 HydrophobicContact CB-CB 4.48Å; F1199-A1202 PolarHBondContact O-N 2.86Å; A1202-A1206 WeakPolarHBondContact O-CB 3.25Å; A1202-A1206 PolarHBondContact O-N 3.08Å
1203K92.2Very high88.3Confident14 Ų1437.8 Ų37.86%0.06119%0.194CC..Hα-helixtrans-62.5-49171.3-70.4176.6175.4-168.90111.9T1192 M1193 L1195 E1197 F1199 M1200 E1201 I1205 A1206 I1207 Y1245T1192-K1203 HydrophobicContact CG2-CG 4.41Å; M1193-K1203 HydrophobicContact CE-CB 4.32Å; M1193-K1203 WeakPolarHBondContact O-CE 3.08Å; M1193-K1203 PolarHBondContact O-NZ 3Å; L1195-K1203 WeakPolarHBondContact O-CE 3.38Å; L1195-K1203 PolarHBondContact O-NZ 3.48Å; E1197-K1203 IonicContact OE2-NZ 3.95Å; E1197-K1203 PolarHBondContact OE2-NZ 2.92Å; F1199-K1203 PolarHBondContact O-N 3.21Å; M1200-K1203 WeakPolarHBondContact O-CB 3.32Å; M1200-K1203 PolarHBondContact O-N 3.48Å; E1201-K1203 VanDerWaalsContact C-N 3.31Å; E1201-K1203 PolarHBondContact O-N 3.09Å; K1203-I1205 PolarHBondContact O-N 3.23Å; K1203-A1206 PolarHBondContact O-N 3.35Å; K1203-A1206 VanDerWaalsContact O-N 3.13Å; K1203-I1207 WeakPolarHBondContact O-CG1 3.1Å; K1203-I1207 PolarHBondContact O-N 3.34Å; K1203-Y1245 HydrophobicContact CB-CE1 3.76Å; K1203-Y1245 HydrophobicContact CD-CE1 4.19Å; K1203-Y1245 HydrophobicContact CD-CE2 4.48Å; K1203-Y1245 VanDerWaalsContact CD-OH 3.23Å; K1203-Y1245 WeakPolarHBondContact CD-OH 3.23Å
1204K91.6Very high88Confident38 Ų3836.1 Ų36.117%0.16519%0.186CC..Hα-helixtrans-55.8-47175.7-74.5177.6-179.9-178.40112.1M1200 E1201 A1206 I1207 R1208 N1244 Y1245 E1248M1200-K1204 WeakPolarHBondContact O-CG 3.43Å; M1200-K1204 PolarHBondContact O-N 2.97Å; E1201-K1204 PolarHBondContact O-N 3.39Å; K1204-A1206 VanDerWaalsContact C-N 3.32Å; K1204-A1206 PolarHBondContact O-N 3.27Å; K1204-I1207 PolarHBondContact O-N 2.91Å; K1204-R1208 WeakPolarHBondContact O-CB 3.36Å; K1204-R1208 PolarHBondContact O-N 2.77Å; K1204-N1244 VanDerWaalsContact CE-O 3.26Å; K1204-N1244 WeakPolarHBondContact CE-O 3.39Å; K1204-N1244 VanDerWaalsContact CE-OD1 3.28Å; K1204-N1244 WeakPolarHBondContact CE-OD1 3.45Å; K1204-N1244 PolarHBondContact NZ-OD1 2.96Å; K1204-Y1245 HydrophobicContact CG-CD1 4.13Å; K1204-Y1245 HydrophobicContact CG-CE1 4.24Å; K1204-E1248 HydrophobicContact CB-CG 4.18Å; K1204-E1248 HydrophobicContact CG-CB 4.45Å; K1204-E1248 HydrophobicContact CG-CG 4.49Å; K1204-E1248 WeakPolarHBondContact O-CG 3.41Å
1205I92Very high87.5Confident0 Ų031.3 Ų31.30%015%0.152CC..Hα-helixtrans-64.7-37.9178.3-60.1154.9000111.1S1142 F1145 N1146 N1149 E1201 K1203 R1208 T1209S1142-I1205 WeakPolarHBondContact OG-CD1 3.49Å; F1145-I1205 VanDerWaalsContact C-CG2 3.49Å; F1145-I1205 HydrophobicContact CB-CB 4.22Å; F1145-I1205 HydrophobicContact CB-CD1 4.44Å; F1145-I1205 HydrophobicContact CB-CG2 3.99Å; F1145-I1205 VanDerWaalsContact O-CG2 3.31Å; F1145-I1205 WeakPolarHBondContact O-CG2 3.14Å; N1146-I1205 WeakPolarHBondContact ND2-CD1 3.24Å; N1149-I1205 HydrophobicContact CB-CG2 4.09Å; E1201-I1205 HydrophobicContact CG-CD1 4.08Å; E1201-I1205 WeakPolarHBondContact O-CD1 3.11Å; E1201-I1205 VanDerWaalsContact O-CG1 3.23Å; E1201-I1205 WeakPolarHBondContact O-CG1 3.47Å; E1201-I1205 PolarHBondContact O-N 3.34Å; K1203-I1205 PolarHBondContact O-N 3.23Å; I1205-R1208 PolarHBondContact O-N 3.5Å; I1205-T1209 WeakPolarHBondContact O-CB 3.25Å; I1205-T1209 PolarHBondContact O-N 2.75Å; I1205-T1209 PolarHBondContact O-OG1 3.43Å
1206A92.3Very high86.6Confident0 Ų031.7 Ų31.70%015%0.151CC..Hα-helixtrans-66.7-41.4176.200000112.7F1145 L1189 T1192 M1193 A1202 K1203 K1204 T1209 L1210F1145-A1206 HydrophobicContact CD1-CB 3.99Å; F1145-A1206 HydrophobicContact CE1-CB 4.11Å; L1189-A1206 HydrophobicContact CB-CB 4.2Å; L1189-A1206 HydrophobicContact CD2-CB 4.08Å; T1192-A1206 HydrophobicContact CG2-CB 4.05Å; M1193-A1206 HydrophobicContact CE-CB 3.49Å; M1193-A1206 VanDerWaalsContact CE-CB 3.49Å; A1202-A1206 WeakPolarHBondContact O-CB 3.25Å; A1202-A1206 PolarHBondContact O-N 3.08Å; K1203-A1206 PolarHBondContact O-N 3.35Å; K1203-A1206 VanDerWaalsContact O-N 3.13Å; K1204-A1206 VanDerWaalsContact C-N 3.32Å; K1204-A1206 PolarHBondContact O-N 3.27Å; A1206-T1209 PolarHBondContact O-N 3.36Å; A1206-L1210 WeakPolarHBondContact O-CG 3.41Å; A1206-L1210 PolarHBondContact O-N 2.8Å
1207I91.4Very high85.3Confident4 Ų430.1 Ų30.12%0.02114%0.14CC..Hα-helixtrans-58.1-51.8171.8-68.8163.5000110.2M1193 K1203 K1204 T1209 L1210 C1211 I1237 Y1245 E1248 V1249M1193-I1207 HydrophobicContact CE-CG1 4.05Å; M1193-I1207 HydrophobicContact SD-CD1 4.29Å; M1193-I1207 HydrophobicContact SD-CG1 3.83Å; K1203-I1207 WeakPolarHBondContact O-CG1 3.1Å; K1203-I1207 PolarHBondContact O-N 3.34Å; K1204-I1207 PolarHBondContact O-N 2.91Å; I1207-T1209 VanDerWaalsContact C-N 3.28Å; I1207-T1209 PolarHBondContact O-N 2.79Å; I1207-L1210 PolarHBondContact O-N 2.88Å; I1207-C1211 PolarHBondContact O-N 2.91Å; I1207-C1211 PolarHBondContact O-SG 2.64Å; I1207-I1237 HydrophobicContact CD1-CD1 3.87Å; I1207-I1237 HydrophobicContact CG1-CD1 4.17Å; I1207-Y1245 HydrophobicContact CD1-CD1 3.81Å; I1207-Y1245 HydrophobicContact CD1-CG 4.03Å; I1207-E1248 HydrophobicContact CB-CG 4.49Å; I1207-E1248 HydrophobicContact CG2-CB 4.49Å; I1207-E1248 HydrophobicContact CG2-CG 4.29Å; I1207-V1249 HydrophobicContact CG2-CG2 3.76Å
1208R90.8Very high84Confident66 Ų6626.8 Ų26.825%0.24913%0.125CC..Hα-helixtrans-55.8-43.5177.4-173.4-175.5-59.1140.64.7112K1204 I1205 C1211 D1212 E1248 S1252K1204-R1208 WeakPolarHBondContact O-CB 3.36Å; K1204-R1208 PolarHBondContact O-N 2.77Å; I1205-R1208 PolarHBondContact O-N 3.5Å; R1208-C1211 PolarHBondContact O-N 3.41Å; R1208-D1212 PolarHBondContact O-N 3.08Å; R1208-E1248 HydrophobicContact CB-CG 4.43Å; R1208-E1248 IonicContact CZ-OE1 3.21Å; R1208-E1248 IonicContact CZ-OE2 2.65Å; R1208-E1248 IonicContact NE-OE1 2.62Å; R1208-E1248 PolarHBondContact NE-OE1 3.2Å; R1208-E1248 IonicContact NH2-OE1 2.72Å; R1208-E1248 PolarHBondContact NH2-OE1 3.23Å; R1208-E1248 IonicContact NH2-OE2 3.31Å; R1208-E1248 PolarHBondContact NH2-OE2 2.91Å; R1208-S1252 WeakPolarHBondContact CA-OG 3.38Å
1209T90.6Very high82.6Confident0 Ų020.8 Ų20.80%010%0.097CC..Hα-helixtrans-69.8-38.2179.8-500000111.7N1149 T1152 L1189 I1205 A1206 I1207 D1212 I1213N1149-T1209 WeakPolarHBondContact CB-OG1 3.16Å; T1152-T1209 HydrophobicContact CG2-CG2 3.81Å; L1189-T1209 HydrophobicContact CD1-CG2 3.64Å; L1189-T1209 HydrophobicContact CD2-CG2 4.43Å; I1205-T1209 WeakPolarHBondContact O-CB 3.25Å; I1205-T1209 PolarHBondContact O-N 2.75Å; I1205-T1209 PolarHBondContact O-OG1 3.43Å; A1206-T1209 PolarHBondContact O-N 3.36Å; I1207-T1209 VanDerWaalsContact C-N 3.28Å; I1207-T1209 PolarHBondContact O-N 2.79Å; T1209-D1212 PolarHBondContact O-N 3.37Å; T1209-I1213 HydrophobicContact CG2-CD1 4.26Å; T1209-I1213 WeakPolarHBondContact O-CG1 3.28Å; T1209-I1213 PolarHBondContact O-N 2.66Å
1210L90.3Very high81.1Confident0 Ų021 Ų210%011%0.105CC..Hα-helixtrans-63.2-42172.7-78.2168.9000111.8A1186 L1189 F1190 A1206 I1207 I1213 V1214 F1230 L1233A1186-L1210 HydrophobicContact CB-CD2 4.19Å; L1189-L1210 HydrophobicContact CB-CD1 3.92Å; L1189-L1210 HydrophobicContact CB-CD2 3.91Å; L1189-L1210 HydrophobicContact CB-CG 3.69Å; L1189-L1210 HydrophobicContact CD1-CD2 3.9Å; L1189-L1210 HydrophobicContact CD1-CG 3.81Å; L1189-L1210 HydrophobicContact CG-CG 4.41Å; F1190-L1210 HydrophobicContact CD1-CD1 4.01Å; F1190-L1210 HydrophobicContact CD2-CD2 4.25Å; F1190-L1210 HydrophobicContact CE1-CD1 3.98Å; F1190-L1210 HydrophobicContact CE1-CD2 4.3Å; F1190-L1210 HydrophobicContact CE2-CD2 3.85Å; F1190-L1210 HydrophobicContact CG-CD1 4.43Å; F1190-L1210 HydrophobicContact CZ-CD1 4.39Å; F1190-L1210 HydrophobicContact CZ-CD2 3.87Å; A1206-L1210 WeakPolarHBondContact O-CG 3.41Å; A1206-L1210 PolarHBondContact O-N 2.8Å; I1207-L1210 PolarHBondContact O-N 2.88Å; L1210-I1213 PolarHBondContact O-N 2.75Å; L1210-V1214 WeakPolarHBondContact O-CG2 3.38Å; L1210-V1214 PolarHBondContact O-N 2.54Å; L1210-F1230 HydrophobicContact CB-CD2 4.26Å; L1210-F1230 HydrophobicContact CB-CE2 4.27Å; L1210-L1233 HydrophobicContact CD1-CD2 3.63Å
1211C88.3Confident79.6Confident1 Ų123.5 Ų23.51%0.00713%0.129CC..Hα-helixtrans-60-48.5173.2-64.80000111.6I1207 R1208 I1213 V1214 V1215I1207-C1211 PolarHBondContact O-N 2.91Å; I1207-C1211 PolarHBondContact O-SG 2.64Å; R1208-C1211 PolarHBondContact O-N 3.41Å; C1211-I1213 PolarHBondContact O-N 2.96Å; C1211-V1214 PolarHBondContact O-N 2.9Å; C1211-V1215 WeakPolarHBondContact O-CB 3.37Å; C1211-V1215 WeakPolarHBondContact O-CG2 3.27Å; C1211-V1215 PolarHBondContact O-N 3.37Å
1212D83.7Confident78.7Confident17 Ų1720.7 Ų20.79%0.09112%0.118CC..Hα-helixtrans-63.2-27.4176.7-90-13.8000113.1L1156 R1208 T1209 R1216 R1256L1156-D1212 HydrophobicContact CD1-CB 4.37Å; L1156-D1212 VanDerWaalsContact CD1-O 3.24Å; L1156-D1212 WeakPolarHBondContact CD1-O 3.38Å; R1208-D1212 PolarHBondContact O-N 3.08Å; T1209-D1212 PolarHBondContact O-N 3.37Å; D1212-R1216 WeakPolarHBondContact O-CD 3.41Å; D1212-R1216 IonicContact OD1-CZ 3.49Å; D1212-R1216 IonicContact OD1-NH2 3.55Å; D1212-R1216 IonicContact OD2-NH2 3.98Å; D1212-R1256 IonicContact OD1-NH1 3.98Å; D1212-R1256 PolarHBondContact OD1-NH1 2.83Å
1213I84.7Confident78Confident0 Ų023.8 Ų23.80%014%0.135CC..Hα-helixtrans-72.7-51.2173.8-71.9169.5000111.3T1152 V1182 L1189 T1209 L1210 C1211 H1218 L1226T1152-I1213 HydrophobicContact CG2-CD1 4Å; T1152-I1213 HydrophobicContact CG2-CG1 3.53Å; V1182-I1213 HydrophobicContact CG1-CB 4.26Å; V1182-I1213 HydrophobicContact CG1-CD1 4.3Å; V1182-I1213 HydrophobicContact CG1-CG1 3.67Å; V1182-I1213 HydrophobicContact CG1-CG2 3.93Å; L1189-I1213 HydrophobicContact CD1-CD1 3.68Å; T1209-I1213 HydrophobicContact CG2-CD1 4.26Å; T1209-I1213 WeakPolarHBondContact O-CG1 3.28Å; T1209-I1213 PolarHBondContact O-N 2.66Å; L1210-I1213 PolarHBondContact O-N 2.75Å; C1211-I1213 PolarHBondContact O-N 2.96Å; I1213-H1218 PolarHBondContact O-NE2 2.77Å; I1213-L1226 HydrophobicContact CG2-CD2 4.41Å
1214V83.5Confident77.5Confident2 Ų227.9 Ų27.91%0.01216%0.162CC..Hα-helixtrans-89.1-33.3-167.6179.30000112.8L1210 C1211 L1226 F1230 L1262L1210-V1214 WeakPolarHBondContact O-CG2 3.38Å; L1210-V1214 PolarHBondContact O-N 2.54Å; C1211-V1214 PolarHBondContact O-N 2.9Å; V1214-L1226 HydrophobicContact CG2-CD1 4.46Å; V1214-L1226 HydrophobicContact CG2-CG 4.26Å; V1214-F1230 HydrophobicContact CB-CD1 4.11Å; V1214-F1230 HydrophobicContact CB-CE1 4.3Å; V1214-F1230 HydrophobicContact CB-CG 4.24Å; V1214-F1230 HydrophobicContact CG1-CD1 3.64Å; V1214-F1230 HydrophobicContact CG1-CE1 4.04Å; V1214-F1230 HydrophobicContact CG1-CG 4.11Å; V1214-F1230 HydrophobicContact CG2-CB 4.23Å; V1214-F1230 HydrophobicContact CG2-CD1 4.4Å; V1214-F1230 HydrophobicContact CG2-CD2 4.26Å; V1214-F1230 HydrophobicContact CG2-CG 4.05Å; V1214-L1262 HydrophobicContact CG1-CD1 3.91Å; V1214-L1262 HydrophobicContact CG1-CD2 4.15Å; V1214-L1262 WeakPolarHBondContact O-CD1 3.38Å
1215V75.2Confident77.1Confident4 Ų432.6 Ų32.62%0.02419%0.185CC..SBendtrans-90.4-13.3-169.4-176.40000113.2C1211 F1230 R1256 L1257C1211-V1215 WeakPolarHBondContact O-CB 3.37Å; C1211-V1215 WeakPolarHBondContact O-CG2 3.27Å; C1211-V1215 PolarHBondContact O-N 3.37Å; V1215-F1230 HydrophobicContact CG2-CE1 4.24Å; V1215-F1230 HydrophobicContact CG2-CZ 4.17Å; V1215-R1256 VanDerWaalsContact CG1-C 3.46Å; V1215-R1256 HydrophobicContact CG1-CB 3.46Å; V1215-R1256 VanDerWaalsContact CG1-CB 3.46Å; V1215-L1257 HydrophobicContact CG1-CB 4.27Å; V1215-L1257 HydrophobicContact CG2-CD1 3.96Å
1216R66.9Low76.9Confident40 Ų4033.2 Ų33.215%0.15119%0.188CC..SBendtrans-77.2162.8171.8-78.9-174175.91528.3111.6E1015 D1212 H1218E1015-R1216 VanDerWaalsContact CD-NE 3.32Å; E1015-R1216 IonicContact OE1-CZ 3.73Å; E1015-R1216 IonicContact OE1-NE 2.99Å; E1015-R1216 IonicContact OE1-NH2 3.87Å; E1015-R1216 PolarHBondContact OE1-NH2 2.9Å; E1015-R1216 WeakPolarHBondContact OE2-CG 3.29Å; E1015-R1216 IonicContact OE2-CZ 3.96Å; E1015-R1216 IonicContact OE2-NE 2.68Å; E1015-R1216 PolarHBondContact OE2-NE 3.43Å; E1015-R1216 IonicContact OE2-NH2 2.75Å; E1015-R1216 PolarHBondContact OE2-NH2 2.67Å; D1212-R1216 WeakPolarHBondContact O-CD 3.41Å; D1212-R1216 IonicContact OD1-CZ 3.49Å; D1212-R1216 IonicContact OD1-NH2 3.55Å; D1212-R1216 IonicContact OD2-NH2 3.98Å; R1216-H1218 PolarHBondContact O-CD2 3.18Å
1217S56.9Low76.6Confident25 Ų2533.7 Ų33.718%0.17519%0.191CC..  trans-70.6139.2177.648.30000111.7I1016I1016-S1217 PolarHBondContact O-OG 3.46Å
1218H57.4Low76.5Confident16 Ų1636.2 Ų36.27%0.07421%0.212CC..  trans-105.3132.7170-56.8-75.8000108.5R1159 I1213 R1216 G1220R1159-H1218 PolarHBondContact NH1-CE1 2.95Å; R1159-H1218 PolarHBondContact NH1-ND1 3.18Å; I1213-H1218 PolarHBondContact O-NE2 2.77Å; R1216-H1218 PolarHBondContact O-CD2 3.18Å; H1218-G1220 WeakPolarHBondContact CB-O 3.43Å; H1218-G1220 PolarHBondContact O-N 2.81Å
1219D53.3Low76.5Confident24 Ų2440 Ų4013%0.12823%0.228CC..SBendtrans-67.580.9162.7-49.6-8.7000107.6E1019 R1159 Q1162 R2115E1019-D1219 WeakPolarHBondContact OE1-CA 3.36Å; R1159-D1219 VanDerWaalsContact NH2-N 3.18Å; R1159-D1219 PolarHBondContact NH2-O 3.06Å; Q1162-D1219 PolarHBondContact NE2-OD2 3.06Å; D1219-R2115 IonicContact OD1-CZ 3.19Å; D1219-R2115 IonicContact OD1-NH1 3.76Å; D1219-R2115 PolarHBondContact OD1-NH1 2.84Å; D1219-R2115 VanDerWaalsContact OD1-NH1 3.14Å; D1219-R2115 IonicContact OD1-NH2 3.13Å; D1219-R2115 PolarHBondContact OD1-NH2 3.19Å; D1219-R2115 IonicContact OD2-CZ 2.68Å; D1219-R2115 IonicContact OD2-NH1 2.63Å; D1219-R2115 PolarHBondContact OD2-NH1 3.2Å; D1219-R2115 IonicContact OD2-NH2 2.78Å; D1219-R2115 PolarHBondContact OD2-NH2 2.92Å
1220G56.6Low76.5Confident25 Ų2540.1 Ų40.126%0.25823%0.228SC..SBendtrans102.3158.5-17200000115.8E1019 H1218E1019-G1220 VanDerWaalsContact CD-N 3.28Å; E1019-G1220 PolarHBondContact OE1-N 2.93Å; E1019-G1220 WeakPolarHBondContact OE2-CA 3.08Å; E1019-G1220 PolarHBondContact OE2-N 3.31Å; H1218-G1220 WeakPolarHBondContact CB-O 3.43Å; H1218-G1220 PolarHBondContact O-N 2.81Å
1221C57.6Low76.6Confident130 Ų13040.9 Ų40.988%0.87823%0.231SC*.PPolyproline II helixtrans-51.8127-171.4-62.40000114.1
1222P67.9Low76.7Confident27 Ų2745.9 Ų45.918%0.17525%0.25CS..PPolyproline II helixtrans-67.5153.8171.519.3-21.9000112.3I1227 L1262P1222-I1227 HydrophobicContact CB-CD1 3.91Å; P1222-I1227 HydrophobicContact CB-CG1 4.28Å; P1222-I1227 HydrophobicContact CG-CD1 3.78Å; P1222-I1227 HydrophobicContact CG-CG1 4.48Å; P1222-L1262 HydrophobicContact CB-CD2 4.42Å; P1222-L1262 HydrophobicContact CG-CD2 3.58Å
1223D74.7Confident77.1Confident67 Ų6745.7 Ų45.736%0.35825%0.25SC..PPolyproline II helixtrans-59.9119.1-178.3174-9.9000111.2E1225 L1226 I1227D1223-E1225 VanDerWaalsContact C-N 3.29Å; D1223-E1225 PolarHBondContact O-N 3.34Å; D1223-E1225 PolarHBondContact OD1-N 3.43Å; D1223-L1226 HydrophobicContact CB-CB 3.86Å; D1223-L1226 WeakPolarHBondContact O-CB 3.46Å; D1223-L1226 PolarHBondContact O-N 3.48Å; D1223-L1226 PolarHBondContact OD1-N 2.99Å; D1223-I1227 VanDerWaalsContact O-CG1 3.28Å; D1223-I1227 WeakPolarHBondContact O-CG1 3.36Å; D1223-I1227 PolarHBondContact O-N 2.84Å
1224P81.2Confident77.4Confident99 Ų9945.8 Ų45.864%0.64325%0.25SC*.Hα-helixtrans-66.7-27.6-174.527.6-34.9000113.4A1228P1224-A1228 WeakPolarHBondContact O-CB 3.44Å; P1224-A1228 PolarHBondContact O-N 3.22Å
1225E84.2Confident77.9Confident137 Ų13745.8 Ų45.864%0.6425%0.25SC*.Hα-helixtrans-70.6-45.1175.2-63.4-172.3-175.700110D1223 I1227 A1228 Y1229D1223-E1225 VanDerWaalsContact C-N 3.29Å; D1223-E1225 PolarHBondContact O-N 3.34Å; D1223-E1225 PolarHBondContact OD1-N 3.43Å; E1225-I1227 VanDerWaalsContact C-N 3.31Å; E1225-I1227 PolarHBondContact O-N 3.25Å; E1225-A1228 PolarHBondContact O-N 3.5Å; E1225-Y1229 WeakPolarHBondContact O-CD2 3.39Å; E1225-Y1229 PolarHBondContact O-N 3.03Å
1226L86.5Confident78.6Confident14 Ų1449 Ų497%0.07327%0.265CS..Hα-helixtrans-57.4-41.917517559.1000112.1A1186 F1190 I1213 V1214 D1223 F1230A1186-L1226 HydrophobicContact CB-CD1 3.74Å; F1190-L1226 HydrophobicContact CE2-CD1 3.64Å; F1190-L1226 HydrophobicContact CZ-CD1 4.03Å; I1213-L1226 HydrophobicContact CG2-CD2 4.41Å; V1214-L1226 HydrophobicContact CG2-CD1 4.46Å; V1214-L1226 HydrophobicContact CG2-CG 4.26Å; D1223-L1226 HydrophobicContact CB-CB 3.86Å; D1223-L1226 WeakPolarHBondContact O-CB 3.46Å; D1223-L1226 PolarHBondContact O-N 3.48Å; D1223-L1226 PolarHBondContact OD1-N 2.99Å; L1226-F1230 WeakPolarHBondContact O-CB 3.26Å; L1226-F1230 PolarHBondContact O-N 3.05Å
1227I87.2Confident79.8Confident9 Ų947.6 Ų47.65%0.04626%0.26CS..Hα-helixtrans-66-44.9176.9-60.5162.2000110.7P1222 D1223 E1225 Y1229 F1230 Y1231 L1262 P1263P1222-I1227 HydrophobicContact CB-CD1 3.91Å; P1222-I1227 HydrophobicContact CB-CG1 4.28Å; P1222-I1227 HydrophobicContact CG-CD1 3.78Å; P1222-I1227 HydrophobicContact CG-CG1 4.48Å; D1223-I1227 VanDerWaalsContact O-CG1 3.28Å; D1223-I1227 WeakPolarHBondContact O-CG1 3.36Å; D1223-I1227 PolarHBondContact O-N 2.84Å; E1225-I1227 VanDerWaalsContact C-N 3.31Å; E1225-I1227 PolarHBondContact O-N 3.25Å; I1227-Y1229 PolarHBondContact O-N 3.04Å; I1227-F1230 PolarHBondContact O-N 3.19Å; I1227-Y1231 HydrophobicContact CG2-CD1 4.22Å; I1227-Y1231 HydrophobicContact CG2-CD2 3.99Å; I1227-Y1231 HydrophobicContact CG2-CE1 3.81Å; I1227-Y1231 HydrophobicContact CG2-CE2 3.54Å; I1227-Y1231 HydrophobicContact CG2-CG 4.31Å; I1227-Y1231 VanDerWaalsContact CG2-CZ 3.43Å; I1227-Y1231 PolarHBondContact O-N 2.86Å; I1227-L1262 HydrophobicContact CD1-CD2 4.31Å; I1227-L1262 HydrophobicContact CG1-CD2 4.35Å; I1227-P1263 HydrophobicContact CD1-CG 3.78Å
1228A89.4Confident81.3Confident57 Ų5746.4 Ų46.447%0.47125%0.252SS..Hα-helixtrans-62.2-44.2179.100000112.1P1224 E1225 Y1231 Y1232P1224-A1228 WeakPolarHBondContact O-CB 3.44Å; P1224-A1228 PolarHBondContact O-N 3.22Å; E1225-A1228 PolarHBondContact O-N 3.5Å; A1228-Y1231 PolarHBondContact O-N 3.11Å; A1228-Y1232 WeakPolarHBondContact O-CB 3.47Å; A1228-Y1232 PolarHBondContact O-N 2.98Å
1229Y89.4Confident82.9Confident147 Ų14746.9 Ų46.958%0.57626%0.256SS*.Hα-helixtrans-64.1-38.4173.6-78.8-64.2000112.6E1225 I1227 L1233E1225-Y1229 WeakPolarHBondContact O-CD2 3.39Å; E1225-Y1229 PolarHBondContact O-N 3.03Å; I1227-Y1229 PolarHBondContact O-N 3.04Å; Y1229-L1233 WeakPolarHBondContact O-CB 3.21Å; Y1229-L1233 PolarHBondContact O-N 2.93Å
1230F91.3Very high84.4Confident2 Ų249.1 Ų49.11%0.00927%0.27CS..Hα-helixtrans-64.9-48.6175.5178-109.7000111.9F1190 L1210 V1214 V1215 L1226 I1227 Y1232 L1233 I1234 L1257F1190-F1230 HydrophobicContact CZ-CB 4.35Å; L1210-F1230 HydrophobicContact CB-CD2 4.26Å; L1210-F1230 HydrophobicContact CB-CE2 4.27Å; V1214-F1230 HydrophobicContact CB-CD1 4.11Å; V1214-F1230 HydrophobicContact CB-CE1 4.3Å; V1214-F1230 HydrophobicContact CB-CG 4.24Å; V1214-F1230 HydrophobicContact CG1-CD1 3.64Å; V1214-F1230 HydrophobicContact CG1-CE1 4.04Å; V1214-F1230 HydrophobicContact CG1-CG 4.11Å; V1214-F1230 HydrophobicContact CG2-CB 4.23Å; V1214-F1230 HydrophobicContact CG2-CD1 4.4Å; V1214-F1230 HydrophobicContact CG2-CD2 4.26Å; V1214-F1230 HydrophobicContact CG2-CG 4.05Å; V1215-F1230 HydrophobicContact CG2-CE1 4.24Å; V1215-F1230 HydrophobicContact CG2-CZ 4.17Å; L1226-F1230 WeakPolarHBondContact O-CB 3.26Å; L1226-F1230 PolarHBondContact O-N 3.05Å; I1227-F1230 PolarHBondContact O-N 3.19Å; F1230-Y1232 VanDerWaalsContact C-N 3.35Å; F1230-Y1232 PolarHBondContact O-N 3.05Å; F1230-L1233 WeakPolarHBondContact O-CB 3.46Å; F1230-L1233 PolarHBondContact O-N 3.25Å; F1230-I1234 HydrophobicContact CD2-CG1 4.43Å; F1230-I1234 HydrophobicContact CE1-CG1 4.12Å; F1230-I1234 HydrophobicContact CE2-CD1 3.91Å; F1230-I1234 HydrophobicContact CE2-CG1 4.04Å; F1230-I1234 HydrophobicContact CZ-CD1 3.95Å; F1230-I1234 HydrophobicContact CZ-CG1 3.87Å; F1230-I1234 WeakPolarHBondContact O-CG1 3.37Å; F1230-I1234 PolarHBondContact O-N 3.3Å; F1230-L1257 HydrophobicContact CE1-CD1 4.35Å
1231Y92.3Very high85.7Confident15 Ų1551.8 Ų51.86%0.05928%0.275CS..Hα-helixtrans-62.9-40.6178.3-68.9-4.6000112.1I1227 A1228 L1233 I1234 H1235 P1263 T1265 L1268I1227-Y1231 HydrophobicContact CG2-CD1 4.22Å; I1227-Y1231 HydrophobicContact CG2-CD2 3.99Å; I1227-Y1231 HydrophobicContact CG2-CE1 3.81Å; I1227-Y1231 HydrophobicContact CG2-CE2 3.54Å; I1227-Y1231 HydrophobicContact CG2-CG 4.31Å; I1227-Y1231 VanDerWaalsContact CG2-CZ 3.43Å; I1227-Y1231 PolarHBondContact O-N 2.86Å; A1228-Y1231 PolarHBondContact O-N 3.11Å; Y1231-L1233 VanDerWaalsContact C-N 3.35Å; Y1231-L1233 PolarHBondContact O-N 3.33Å; Y1231-I1234 PolarHBondContact O-N 2.98Å; Y1231-H1235 WeakPolarHBondContact O-CB 3.46Å; Y1231-H1235 PolarHBondContact O-N 3.41Å; Y1231-P1263 WeakPolarHBondContact CE2-O 3.48Å; Y1231-P1263 PolarHBondContact OH-O 2.86Å; Y1231-T1265 VanDerWaalsContact OH-CG2 3.27Å; Y1231-T1265 WeakPolarHBondContact OH-CG2 3.42Å; Y1231-L1268 HydrophobicContact CD1-CD1 3.5Å; Y1231-L1268 HydrophobicContact CD1-CG 4.41Å; Y1231-L1268 HydrophobicContact CE1-CD1 4.02Å; Y1231-L1268 HydrophobicContact CG-CD1 3.88Å; Y1231-L1268 HydrophobicContact CG-CG 4.34Å
1232Y91.1Very high87Confident106 Ų10649.2 Ų49.242%0.41625%0.25SC..Hα-helixtrans-62.7-40174.3-175.9-108.5000112.4A1228 F1230 Q1236A1228-Y1232 WeakPolarHBondContact O-CB 3.47Å; A1228-Y1232 PolarHBondContact O-N 2.98Å; F1230-Y1232 VanDerWaalsContact C-N 3.35Å; F1230-Y1232 PolarHBondContact O-N 3.05Å; Y1232-Q1236 HydrophobicContact CD1-CG 4.41Å; Y1232-Q1236 VanDerWaalsContact CE1-CD 3.47Å; Y1232-Q1236 HydrophobicContact CE1-CG 4.04Å; Y1232-Q1236 VanDerWaalsContact CE1-NE2 3.26Å; Y1232-Q1236 HydrophobicContact CE2-CG 4.42Å; Y1232-Q1236 VanDerWaalsContact CZ-NE2 3.32Å; Y1232-Q1236 WeakPolarHBondContact O-CG 3.31Å; Y1232-Q1236 PolarHBondContact O-N 3.19Å; Y1232-Q1236 PolarHBondContact OH-NE2 3.16Å
1233L91.2Very high88Confident14 Ų1452.1 Ų52.17%0.07326%0.261CS..Hα-helixtrans-63.8-45.4174.917561.8000112.3F1190 M1193 L1210 Y1229 F1230 Y1231 Q1236 I1237F1190-L1233 HydrophobicContact CD1-CD2 3.96Å; F1190-L1233 HydrophobicContact CE1-CB 4.3Å; F1190-L1233 HydrophobicContact CE1-CD2 3.94Å; M1193-L1233 HydrophobicContact CB-CD1 4.32Å; M1193-L1233 HydrophobicContact CG-CD1 3.7Å; M1193-L1233 HydrophobicContact CG-CD2 3.99Å; M1193-L1233 HydrophobicContact SD-CD1 4.01Å; M1193-L1233 HydrophobicContact SD-CD2 4.15Å; L1210-L1233 HydrophobicContact CD1-CD2 3.63Å; Y1229-L1233 WeakPolarHBondContact O-CB 3.21Å; Y1229-L1233 PolarHBondContact O-N 2.93Å; F1230-L1233 WeakPolarHBondContact O-CB 3.46Å; F1230-L1233 PolarHBondContact O-N 3.25Å; Y1231-L1233 VanDerWaalsContact C-N 3.35Å; Y1231-L1233 PolarHBondContact O-N 3.33Å; L1233-Q1236 PolarHBondContact O-N 3.23Å; L1233-I1237 HydrophobicContact CD1-CD1 4.1Å; L1233-I1237 HydrophobicContact CD1-CG1 4.41Å; L1233-I1237 HydrophobicContact CG-CD1 4.11Å; L1233-I1237 WeakPolarHBondContact O-CG1 3.49Å; L1233-I1237 PolarHBondContact O-N 2.81Å
1234I91.9Very high88.6Confident1 Ų152.2 Ų52.21%0.00526%0.261CS..Hα-helixtrans-59.7-50.7177.1-64-55.1000110.2F1230 Y1231 Q1236 I1237 S1238 V1249 L1268 F1272F1230-I1234 HydrophobicContact CD2-CG1 4.43Å; F1230-I1234 HydrophobicContact CE1-CG1 4.12Å; F1230-I1234 HydrophobicContact CE2-CD1 3.91Å; F1230-I1234 HydrophobicContact CE2-CG1 4.04Å; F1230-I1234 HydrophobicContact CZ-CD1 3.95Å; F1230-I1234 HydrophobicContact CZ-CG1 3.87Å; F1230-I1234 WeakPolarHBondContact O-CG1 3.37Å; F1230-I1234 PolarHBondContact O-N 3.3Å; Y1231-I1234 PolarHBondContact O-N 2.98Å; I1234-Q1236 VanDerWaalsContact C-N 3.33Å; I1234-Q1236 PolarHBondContact O-N 3.3Å; I1234-I1237 WeakPolarHBondContact O-CA 3.3Å; I1234-I1237 WeakPolarHBondContact O-CB 3.38Å; I1234-I1237 PolarHBondContact O-N 3.41Å; I1234-S1238 PolarHBondContact O-N 2.84Å; I1234-S1238 PolarHBondContact O-OG 2.34Å; I1234-V1249 HydrophobicContact CD1-CB 4.49Å; I1234-V1249 HydrophobicContact CD1-CG1 3.89Å; I1234-V1249 HydrophobicContact CD1-CG2 3.77Å; I1234-V1249 HydrophobicContact CG2-CG1 4.26Å; I1234-L1268 HydrophobicContact CB-CD1 4.31Å; I1234-L1268 HydrophobicContact CG2-CD1 4.22Å; I1234-L1268 HydrophobicContact CG2-CD2 4.48Å; I1234-F1272 HydrophobicContact CG2-CE2 3.83Å; I1234-F1272 HydrophobicContact CG2-CZ 4.35Å
1235H93.4Very high89.1Confident2 Ų247.9 Ų47.91%0.00923%0.233CC..Hα-helixtrans-57.2-41.2176.717261.8000112.6Y1231 I1237 S1238 V1239 L1268 D1271 I1314 D1315 S1318Y1231-H1235 WeakPolarHBondContact O-CB 3.46Å; Y1231-H1235 PolarHBondContact O-N 3.41Å; H1235-I1237 VanDerWaalsContact C-N 3.34Å; H1235-I1237 PolarHBondContact O-N 2.96Å; H1235-S1238 PolarHBondContact O-N 2.95Å; H1235-V1239 WeakPolarHBondContact CE1-CG2 3.5Å; H1235-V1239 VanDerWaalsContact O-CG2 3.28Å; H1235-V1239 WeakPolarHBondContact O-CG2 3.47Å; H1235-V1239 PolarHBondContact O-N 3.34Å; H1235-L1268 HydrophobicContact CB-CD2 4.39Å; H1235-D1271 IonicContact CE1-OD1 3.18Å; H1235-D1271 IonicContact CG-OD1 2.77Å; H1235-D1271 IonicContact ND1-OD1 2.87Å; H1235-D1271 PolarHBondContact ND1-OD1 3.3Å; H1235-D1271 IonicContact ND1-OD2 3.14Å; H1235-I1314 WeakPolarHBondContact CE1-CG2 3.29Å; H1235-I1314 WeakPolarHBondContact ND1-CG2 2.96Å; H1235-D1315 PolarHBondContact CE1-O 3.18Å; H1235-S1318 PolarHBondContact CE1-O 3.48Å; H1235-S1318 VanDerWaalsContact CE1-O 3.26Å; H1235-S1318 PolarHBondContact NE2-O 3.32Å; H1235-S1318 VanDerWaalsContact NE2-O 3.1Å
1236Q90.7Very high89.4Confident72 Ų7241.4 Ų41.434%0.33620%0.202SC..Hα-helixtrans-61.3-38.1173.2-78.8-167-30.400113.2Y1232 L1233 I1234 T1240Y1232-Q1236 HydrophobicContact CD1-CG 4.41Å; Y1232-Q1236 VanDerWaalsContact CE1-CD 3.47Å; Y1232-Q1236 HydrophobicContact CE1-CG 4.04Å; Y1232-Q1236 VanDerWaalsContact CE1-NE2 3.26Å; Y1232-Q1236 HydrophobicContact CE2-CG 4.42Å; Y1232-Q1236 VanDerWaalsContact CZ-NE2 3.32Å; Y1232-Q1236 WeakPolarHBondContact O-CG 3.31Å; Y1232-Q1236 PolarHBondContact O-N 3.19Å; Y1232-Q1236 PolarHBondContact OH-NE2 3.16Å; L1233-Q1236 PolarHBondContact O-N 3.23Å; I1234-Q1236 VanDerWaalsContact C-N 3.33Å; I1234-Q1236 PolarHBondContact O-N 3.3Å; Q1236-T1240 WeakPolarHBondContact O-CB 3.48Å; Q1236-T1240 VanDerWaalsContact O-CG2 3.29Å; Q1236-T1240 WeakPolarHBondContact O-CG2 3.14Å; Q1236-T1240 PolarHBondContact O-N 3.39Å; Q1236-T1240 VanDerWaalsContact O-N 3.11Å; Q1236-T1240 PolarHBondContact O-OG1 3.03Å
1237I90.9Very high89.7Confident11 Ų1142 Ų426%0.05620%0.204CC..Hα-helixtrans-66.2-44.6175.4-67.5163.6000110.4I1207 L1233 I1234 H1235 T1240 K1241 V1246 V1249I1207-I1237 HydrophobicContact CD1-CD1 3.87Å; I1207-I1237 HydrophobicContact CG1-CD1 4.17Å; L1233-I1237 HydrophobicContact CD1-CD1 4.1Å; L1233-I1237 HydrophobicContact CD1-CG1 4.41Å; L1233-I1237 HydrophobicContact CG-CD1 4.11Å; L1233-I1237 WeakPolarHBondContact O-CG1 3.49Å; L1233-I1237 PolarHBondContact O-N 2.81Å; I1234-I1237 WeakPolarHBondContact O-CA 3.3Å; I1234-I1237 WeakPolarHBondContact O-CB 3.38Å; I1234-I1237 PolarHBondContact O-N 3.41Å; H1235-I1237 VanDerWaalsContact C-N 3.34Å; H1235-I1237 PolarHBondContact O-N 2.96Å; I1237-T1240 PolarHBondContact O-N 3.49Å; I1237-T1240 PolarHBondContact O-OG1 2.9Å; I1237-T1240 VanDerWaalsContact O-OG1 3.1Å; I1237-K1241 PolarHBondContact O-N 3.25Å; I1237-V1246 HydrophobicContact CG2-CG2 3.93Å; I1237-V1249 HydrophobicContact CD1-CG2 3.9Å; I1237-V1249 HydrophobicContact CG2-CG2 4.11Å
1238S89.1Confident89.9Confident0 Ų042 Ų420%020%0.204CC..Hα-helixtrans-68.4-36.4-179.1-52.10000113.4I1234 H1235 K1241 D1275I1234-S1238 PolarHBondContact O-N 2.84Å; I1234-S1238 PolarHBondContact O-OG 2.34Å; H1235-S1238 PolarHBondContact O-N 2.95Å; S1238-K1241 WeakPolarHBondContact O-CE 3.33Å; S1238-K1241 WeakPolarHBondContact O-CG 3.24Å; S1238-D1275 VanDerWaalsContact CA-OD1 3.3Å; S1238-D1275 WeakPolarHBondContact CA-OD1 3.44Å; S1238-D1275 WeakPolarHBondContact CB-OD1 3.42Å; S1238-D1275 WeakPolarHBondContact CB-OD2 3.42Å; S1238-D1275 VanDerWaalsContact OG-CG 3.29Å; S1238-D1275 PolarHBondContact OG-OD2 3.12Å
1239V90.4Very high90Very high26 Ų2639.3 Ų39.316%0.15818%0.182CC..Hα-helixtrans-73.1-35.3175.5179.60000111.7H1235 M1319H1235-V1239 WeakPolarHBondContact CE1-CG2 3.5Å; H1235-V1239 VanDerWaalsContact O-CG2 3.28Å; H1235-V1239 WeakPolarHBondContact O-CG2 3.47Å; H1235-V1239 PolarHBondContact O-N 3.34Å; V1239-M1319 HydrophobicContact CB-SD 4.22Å; V1239-M1319 HydrophobicContact CG1-CG 3.95Å; V1239-M1319 HydrophobicContact CG1-SD 3.44Å; V1239-M1319 WeakPolarHBondContact CG1-SD 3.45Å
1240T86.2Confident90.1Very high71 Ų7132.3 Ų32.344%0.43615%0.154SC..Hα-helixtrans-78.4-17178.354.30000114.1Q1236 I1237 Q1242Q1236-T1240 WeakPolarHBondContact O-CB 3.48Å; Q1236-T1240 VanDerWaalsContact O-CG2 3.29Å; Q1236-T1240 WeakPolarHBondContact O-CG2 3.14Å; Q1236-T1240 PolarHBondContact O-N 3.39Å; Q1236-T1240 VanDerWaalsContact O-N 3.11Å; Q1236-T1240 PolarHBondContact O-OG1 3.03Å; I1237-T1240 PolarHBondContact O-N 3.49Å; I1237-T1240 PolarHBondContact O-OG1 2.9Å; I1237-T1240 VanDerWaalsContact O-OG1 3.1Å; T1240-Q1242 PolarHBondContact O-N 2.65Å; T1240-Q1242 VanDerWaalsContact O-N 3.12Å
1241K83.3Confident90Very high80 Ų8036.1 Ų36.135%0.34817%0.168SC..THydrogen-bonded Turntrans53.931.1173.6-57.4-169.4-172.2-153.20114.4I1237 S1238 E1243 S1274I1237-K1241 PolarHBondContact O-N 3.25Å; S1238-K1241 WeakPolarHBondContact O-CE 3.33Å; S1238-K1241 WeakPolarHBondContact O-CG 3.24Å; K1241-E1243 PolarHBondContact O-N 3.21Å; K1241-E1243 VanDerWaalsContact O-N 3.08Å; K1241-S1274 PolarHBondContact NZ-OG 3.37Å
1242Q85.3Confident89.6Confident77 Ų7735.8 Ų35.836%0.3617%0.169SC..  trans-73.898.7175.1-64.7-170.4-60.500109.8E1197 T1240 N1244 Y1245 V1246E1197-Q1242 PolarHBondContact OE1-NE2 2.82Å; T1240-Q1242 PolarHBondContact O-N 2.65Å; T1240-Q1242 VanDerWaalsContact O-N 3.12Å; Q1242-N1244 PolarHBondContact O-N 3.44Å; Q1242-Y1245 HydrophobicContact CB-CD2 3.79Å; Q1242-Y1245 HydrophobicContact CB-CE2 4.4Å; Q1242-Y1245 PolarHBondContact O-N 3.43Å; Q1242-Y1245 VanDerWaalsContact OE1-CD2 3.27Å; Q1242-Y1245 VanDerWaalsContact OE1-CE2 3.29Å; Q1242-V1246 PolarHBondContact O-N 3.11Å; Q1242-V1246 VanDerWaalsContact O-N 3.07Å
1243E87.9Confident89.2Confident87 Ų8730.8 Ų30.841%0.40715%0.149SC..Hα-helixtrans-43-45.7-174.5-66.2-163.6141.500113.6K1241 Y1245 V1246 F1247 V1278 N1282K1241-E1243 PolarHBondContact O-N 3.21Å; K1241-E1243 VanDerWaalsContact O-N 3.08Å; E1243-Y1245 PolarHBondContact O-N 3.29Å; E1243-V1246 PolarHBondContact O-N 3.38Å; E1243-F1247 HydrophobicContact CB-CE1 4.14Å; E1243-F1247 HydrophobicContact CB-CE2 4.03Å; E1243-F1247 HydrophobicContact CB-CZ 3.8Å; E1243-F1247 HydrophobicContact CG-CE1 4.49Å; E1243-F1247 HydrophobicContact CG-CZ 4.16Å; E1243-F1247 VanDerWaalsContact O-CB 3.31Å; E1243-F1247 WeakPolarHBondContact O-CB 3.39Å; E1243-F1247 VanDerWaalsContact O-CD1 3.31Å; E1243-F1247 WeakPolarHBondContact O-CD1 3.27Å; E1243-F1247 WeakPolarHBondContact O-CG 3.26Å; E1243-F1247 PolarHBondContact O-N 3.4Å; E1243-V1278 HydrophobicContact CG-CG1 4.43Å; E1243-N1282 PolarHBondContact OE1-ND2 3.01Å; E1243-N1282 PolarHBondContact OE2-ND2 3.14Å
1244N87.6Confident88.5Confident69 Ų6932.1 Ų32.137%0.36916%0.156SC..Hα-helixtrans-55.9-32.7180-92.3-58.1000114.6M1200 K1204 Q1242M1200-N1244 HydrophobicContact SD-CB 4.34Å; K1204-N1244 VanDerWaalsContact CE-O 3.26Å; K1204-N1244 WeakPolarHBondContact CE-O 3.39Å; K1204-N1244 VanDerWaalsContact CE-OD1 3.28Å; K1204-N1244 WeakPolarHBondContact CE-OD1 3.45Å; K1204-N1244 PolarHBondContact NZ-OD1 2.96Å; Q1242-N1244 PolarHBondContact O-N 3.44Å
1245Y91.7Very high87.6Confident9 Ų932.4 Ų32.44%0.03516%0.158CC..Hα-helixtrans-95.9-38.2-179.3-55.4-44.9000111.2E1197 M1200 K1203 K1204 I1207 Q1242 E1243 F1247 E1248 V1249E1197-Y1245 PolarHBondContact OE2-OH 2.97Å; M1200-Y1245 WeakPolarHBondContact CG-OH 3.47Å; K1203-Y1245 HydrophobicContact CB-CE1 3.76Å; K1203-Y1245 HydrophobicContact CD-CE1 4.19Å; K1203-Y1245 HydrophobicContact CD-CE2 4.48Å; K1203-Y1245 VanDerWaalsContact CD-OH 3.23Å; K1203-Y1245 WeakPolarHBondContact CD-OH 3.23Å; K1204-Y1245 HydrophobicContact CG-CD1 4.13Å; K1204-Y1245 HydrophobicContact CG-CE1 4.24Å; I1207-Y1245 HydrophobicContact CD1-CD1 3.81Å; I1207-Y1245 HydrophobicContact CD1-CG 4.03Å; Q1242-Y1245 HydrophobicContact CB-CD2 3.79Å; Q1242-Y1245 HydrophobicContact CB-CE2 4.4Å; Q1242-Y1245 PolarHBondContact O-N 3.43Å; Q1242-Y1245 VanDerWaalsContact OE1-CD2 3.27Å; Q1242-Y1245 VanDerWaalsContact OE1-CE2 3.29Å; E1243-Y1245 PolarHBondContact O-N 3.29Å; Y1245-F1247 VanDerWaalsContact C-N 3.32Å; Y1245-F1247 PolarHBondContact O-N 2.95Å; Y1245-E1248 PolarHBondContact O-N 2.88Å; Y1245-V1249 WeakPolarHBondContact O-CG2 3.49Å; Y1245-V1249 PolarHBondContact O-N 3.36Å
1246V91.1Very high86.7Confident0 Ų035.1 Ų35.10%017%0.168CC..Hα-helixtrans-55.1-46.1171171.30000111.2I1237 Q1242 E1243 E1248 V1249 I1250 D1275 V1279I1237-V1246 HydrophobicContact CG2-CG2 3.93Å; Q1242-V1246 PolarHBondContact O-N 3.11Å; Q1242-V1246 VanDerWaalsContact O-N 3.07Å; E1243-V1246 PolarHBondContact O-N 3.38Å; V1246-E1248 PolarHBondContact O-N 2.76Å; V1246-V1249 PolarHBondContact O-N 3.23Å; V1246-I1250 HydrophobicContact CG1-CG1 4.4Å; V1246-I1250 WeakPolarHBondContact O-CG1 3.34Å; V1246-I1250 PolarHBondContact O-N 3.24Å; V1246-D1275 HydrophobicContact CG1-CB 3.64Å; V1246-V1279 HydrophobicContact CG1-CG2 4.43Å
1247F92.5Very high86.2Confident27 Ų2731.7 Ų31.712%0.11815%0.152CC..Hα-helixtrans-63.8-28.9177.6-64.1-6.1000112.6E1243 Y1245 R1251 V1279 I1289 P1290E1243-F1247 HydrophobicContact CB-CE1 4.14Å; E1243-F1247 HydrophobicContact CB-CE2 4.03Å; E1243-F1247 HydrophobicContact CB-CZ 3.8Å; E1243-F1247 HydrophobicContact CG-CE1 4.49Å; E1243-F1247 HydrophobicContact CG-CZ 4.16Å; E1243-F1247 VanDerWaalsContact O-CB 3.31Å; E1243-F1247 WeakPolarHBondContact O-CB 3.39Å; E1243-F1247 VanDerWaalsContact O-CD1 3.31Å; E1243-F1247 WeakPolarHBondContact O-CD1 3.27Å; E1243-F1247 WeakPolarHBondContact O-CG 3.26Å; E1243-F1247 PolarHBondContact O-N 3.4Å; Y1245-F1247 VanDerWaalsContact C-N 3.32Å; Y1245-F1247 PolarHBondContact O-N 2.95Å; F1247-R1251 WeakPolarHBondContact O-CB 3.49Å; F1247-R1251 PolarHBondContact O-N 3.38Å; F1247-V1279 HydrophobicContact CD1-CG2 3.75Å; F1247-V1279 HydrophobicContact CE1-CG2 3.96Å; F1247-I1289 HydrophobicContact CE1-CG2 4.48Å; F1247-I1289 HydrophobicContact CE2-CD1 4.3Å; F1247-I1289 HydrophobicContact CE2-CG1 4.02Å; F1247-I1289 HydrophobicContact CZ-CD1 4.4Å; F1247-I1289 HydrophobicContact CZ-CG1 4.44Å; F1247-I1289 HydrophobicContact CZ-CG2 4.33Å; F1247-P1290 HydrophobicContact CB-CG 4.14Å; F1247-P1290 WeakPolarHBondContact O-CG 3.48Å
1248E91.6Very high85.7Confident10 Ų1031.2 Ų31.25%0.04715%0.149CC..Hα-helixtrans-81.2-36.2177.5-165.860.1-131.200112.1K1204 I1207 R1208 Y1245 V1246 S1252K1204-E1248 HydrophobicContact CB-CG 4.18Å; K1204-E1248 HydrophobicContact CG-CB 4.45Å; K1204-E1248 HydrophobicContact CG-CG 4.49Å; K1204-E1248 WeakPolarHBondContact O-CG 3.41Å; I1207-E1248 HydrophobicContact CB-CG 4.49Å; I1207-E1248 HydrophobicContact CG2-CB 4.49Å; I1207-E1248 HydrophobicContact CG2-CG 4.29Å; R1208-E1248 HydrophobicContact CB-CG 4.43Å; R1208-E1248 IonicContact CZ-OE1 3.21Å; R1208-E1248 IonicContact CZ-OE2 2.65Å; R1208-E1248 IonicContact NE-OE1 2.62Å; R1208-E1248 PolarHBondContact NE-OE1 3.2Å; R1208-E1248 IonicContact NH2-OE1 2.72Å; R1208-E1248 PolarHBondContact NH2-OE1 3.23Å; R1208-E1248 IonicContact NH2-OE2 3.31Å; R1208-E1248 PolarHBondContact NH2-OE2 2.91Å; Y1245-E1248 PolarHBondContact O-N 2.88Å; V1246-E1248 PolarHBondContact O-N 2.76Å; E1248-S1252 WeakPolarHBondContact O-CB 3.46Å; E1248-S1252 PolarHBondContact O-N 3.37Å; E1248-S1252 PolarHBondContact O-OG 2.95Å; E1248-S1252 PolarHBondContact OE1-OG 3.27Å
1249V91.4Very high84.8Confident0 Ų031.2 Ų31.20%015%0.149CC..Hα-helixtrans-60.9-53.9171.8168.40000110.6I1207 I1234 I1237 Y1245 V1246 R1251 S1252 C1253 F1272I1207-V1249 HydrophobicContact CG2-CG2 3.76Å; I1234-V1249 HydrophobicContact CD1-CB 4.49Å; I1234-V1249 HydrophobicContact CD1-CG1 3.89Å; I1234-V1249 HydrophobicContact CD1-CG2 3.77Å; I1234-V1249 HydrophobicContact CG2-CG1 4.26Å; I1237-V1249 HydrophobicContact CD1-CG2 3.9Å; I1237-V1249 HydrophobicContact CG2-CG2 4.11Å; Y1245-V1249 WeakPolarHBondContact O-CG2 3.49Å; Y1245-V1249 PolarHBondContact O-N 3.36Å; V1246-V1249 PolarHBondContact O-N 3.23Å; V1249-R1251 VanDerWaalsContact C-N 3.3Å; V1249-R1251 PolarHBondContact O-N 2.97Å; V1249-S1252 PolarHBondContact O-N 3.05Å; V1249-C1253 WeakPolarHBondContact O-CB 3.36Å; V1249-C1253 PolarHBondContact O-N 3.45Å; V1249-F1272 HydrophobicContact CG1-CE1 4Å; V1249-F1272 HydrophobicContact CG1-CZ 3.8Å
1250I91.2Very high83.8Confident0 Ų030.6 Ų30.60%015%0.146CC..Hα-helixtrans-58.9-42.4-179.9-68.4-64.6000111.3V1246 N1254 F1272 D1275 V1276 V1279 P1290 E1293 A1294 I1297V1246-I1250 HydrophobicContact CG1-CG1 4.4Å; V1246-I1250 WeakPolarHBondContact O-CG1 3.34Å; V1246-I1250 PolarHBondContact O-N 3.24Å; I1250-N1254 WeakPolarHBondContact O-CA 3.4Å; I1250-N1254 PolarHBondContact O-N 2.92Å; I1250-F1272 HydrophobicContact CD1-CD1 3.72Å; I1250-F1272 HydrophobicContact CD1-CE1 4.05Å; I1250-D1275 HydrophobicContact CD1-CB 4.01Å; I1250-D1275 HydrophobicContact CG1-CB 4.26Å; I1250-V1276 HydrophobicContact CD1-CG2 3.81Å; I1250-V1279 HydrophobicContact CB-CG2 4.49Å; I1250-V1279 HydrophobicContact CG1-CG2 4.12Å; I1250-V1279 HydrophobicContact CG2-CG2 4.4Å; I1250-P1290 HydrophobicContact CB-CG 4.1Å; I1250-P1290 HydrophobicContact CG2-CB 4.07Å; I1250-P1290 HydrophobicContact CG2-CG 3.78Å; I1250-E1293 HydrophobicContact CG2-CB 4.24Å; I1250-A1294 HydrophobicContact CG2-CB 3.92Å; I1250-I1297 HydrophobicContact CD1-CD1 3.82Å; I1250-I1297 HydrophobicContact CG2-CD1 4.12Å
1251R89.2Confident82.7Confident81 Ų8129.9 Ų29.931%0.30614%0.144SC..Hα-helixtrans-65.4-43.6176.4175.8159.7-71.1131.6-2.5113.7F1247 V1249 E1288 P1290 E1293F1247-R1251 WeakPolarHBondContact O-CB 3.49Å; F1247-R1251 PolarHBondContact O-N 3.38Å; V1249-R1251 VanDerWaalsContact C-N 3.3Å; V1249-R1251 PolarHBondContact O-N 2.97Å; R1251-E1288 VanDerWaalsContact CZ-O 3.27Å; R1251-E1288 PolarHBondContact NH1-O 3.08Å; R1251-E1288 PolarHBondContact NH2-O 3.23Å; R1251-P1290 HydrophobicContact CB-CB 4.13Å; R1251-E1293 IonicContact CZ-OE1 2.76Å; R1251-E1293 IonicContact NE-OE1 3.95Å; R1251-E1293 PolarHBondContact NE-OE1 3.23Å; R1251-E1293 VanDerWaalsContact NE-OE1 3.16Å; R1251-E1293 IonicContact NH2-OE1 2.71Å
1252S84.2Confident82.4Confident9 Ų926.6 Ų26.66%0.06313%0.13CC..Hα-helixtrans-80.4-39.3-173.1-58.30000112.6R1208 E1248 V1249R1208-S1252 WeakPolarHBondContact CA-OG 3.38Å; E1248-S1252 WeakPolarHBondContact O-CB 3.46Å; E1248-S1252 PolarHBondContact O-N 3.37Å; E1248-S1252 PolarHBondContact O-OG 2.95Å; E1248-S1252 PolarHBondContact OE1-OG 3.27Å; V1249-S1252 PolarHBondContact O-N 3.05Å
1253C82.6Confident82Confident0 Ų026.2 Ų26.20%013%0.134CC..Hα-helixtrans-76.3-54.8176.1-70.20000111.1V1249 R1256 L1257 F1272V1249-C1253 WeakPolarHBondContact O-CB 3.36Å; V1249-C1253 PolarHBondContact O-N 3.45Å; C1253-R1256 WeakPolarHBondContact O-CB 3.49Å; C1253-R1256 VanDerWaalsContact O-CG 3.31Å; C1253-R1256 WeakPolarHBondContact O-CG 3.18Å; C1253-R1256 PolarHBondContact O-N 2.89Å; C1253-L1257 HydrophobicContact CB-CB 4.2Å; C1253-F1272 HydrophobicContact CB-CE1 3.89Å; C1253-F1272 HydrophobicContact CB-CZ 3.82Å
1254N77.2Confident81.8Confident42 Ų4224.9 Ų24.923%0.22513%0.134CC..G310 helixtrans46.6-149.8-172.3-164.3-15.6000110.2I1250 R1256 E1293 S1296 I1297I1250-N1254 WeakPolarHBondContact O-CA 3.4Å; I1250-N1254 PolarHBondContact O-N 2.92Å; N1254-R1256 PolarHBondContact O-N 3.25Å; N1254-R1256 VanDerWaalsContact O-N 3.13Å; N1254-E1293 HydrophobicContact CB-CB 4.34Å; N1254-S1296 WeakPolarHBondContact OD1-CB 3.39Å; N1254-I1297 VanDerWaalsContact C-CG1 3.44Å; N1254-I1297 WeakPolarHBondContact O-CG1 3.19Å
1255M72.5Confident81.7Confident8 Ų822.2 Ų22.24%0.03912%0.121CC..G310 helixtrans-66.4-6.6173.7-61.3170.183.900114.2L1257 G1259 S1296 N2160 A2161M1255-L1257 VanDerWaalsContact C-N 3.34Å; M1255-L1257 PolarHBondContact O-N 3.17Å; M1255-G1259 PolarHBondContact O-N 2.85Å; M1255-S1296 WeakPolarHBondContact CG-O 3.21Å; M1255-S1296 VanDerWaalsContact SD-CB 3.56Å; M1255-S1296 VanDerWaalsContact SD-O 3.37Å; M1255-N2160 HydrophobicContact CB-CB 4.15Å; M1255-N2160 VanDerWaalsContact CE-C 3.44Å; M1255-N2160 WeakPolarHBondContact CE-O 3.4Å; M1255-N2160 HydrophobicContact SD-CB 4.45Å; M1255-A2161 HydrophobicContact CE-CB 4.39Å
1256R73.7Confident81.4Confident58 Ų5824.8 Ų24.822%0.21913%0.133CC..G310 helixtrans-66.9-36.1-173.9-51.2167.7171.9-168.6-10.9111.7E1015 D1212 V1215 C1253 N1254 G1259 S1260E1015-R1256 IonicContact OE1-CZ 2.65Å; E1015-R1256 VanDerWaalsContact OE1-CZ 3.32Å; E1015-R1256 IonicContact OE1-NH1 2.74Å; E1015-R1256 PolarHBondContact OE1-NH1 3.06Å; E1015-R1256 IonicContact OE1-NH2 2.75Å; E1015-R1256 PolarHBondContact OE1-NH2 3.16Å; E1015-R1256 IonicContact OE2-CZ 3.89Å; E1015-R1256 IonicContact OE2-NH1 3.28Å; E1015-R1256 PolarHBondContact OE2-NH1 3.47Å; E1015-R1256 VanDerWaalsContact OE2-NH1 3.09Å; E1015-R1256 IonicContact OE2-NH2 2.66Å; E1015-R1256 PolarHBondContact OE2-NH2 2.83Å; D1212-R1256 IonicContact OD1-NH1 3.98Å; D1212-R1256 PolarHBondContact OD1-NH1 2.83Å; V1215-R1256 VanDerWaalsContact CG1-C 3.46Å; V1215-R1256 HydrophobicContact CG1-CB 3.46Å; V1215-R1256 VanDerWaalsContact CG1-CB 3.46Å; C1253-R1256 WeakPolarHBondContact O-CB 3.49Å; C1253-R1256 VanDerWaalsContact O-CG 3.31Å; C1253-R1256 WeakPolarHBondContact O-CG 3.18Å; C1253-R1256 PolarHBondContact O-N 2.89Å; N1254-R1256 PolarHBondContact O-N 3.25Å; N1254-R1256 VanDerWaalsContact O-N 3.13Å; R1256-G1259 CarbonylContact O-C 3.48Å; R1256-G1259 VanDerWaalsContact O-C 3.26Å; R1256-G1259 PolarHBondContact O-N 2.99Å; R1256-S1260 WeakPolarHBondContact O-CB 3.27Å; R1256-S1260 PolarHBondContact O-N 3.35Å; R1256-S1260 VanDerWaalsContact O-N 3.13Å
1257L81.2Confident81.3Confident0 Ų026.7 Ų26.70%014%0.143CC..THydrogen-bonded Turntrans-62.9-56.5-177.6-179.468.9000111.8V1215 F1230 C1253 M1255 G1259 S1260 L1262 T1265 L1268 F1272V1215-L1257 HydrophobicContact CG1-CB 4.27Å; V1215-L1257 HydrophobicContact CG2-CD1 3.96Å; F1230-L1257 HydrophobicContact CE1-CD1 4.35Å; C1253-L1257 HydrophobicContact CB-CB 4.2Å; M1255-L1257 VanDerWaalsContact C-N 3.34Å; M1255-L1257 PolarHBondContact O-N 3.17Å; L1257-G1259 VanDerWaalsContact C-N 3.28Å; L1257-G1259 PolarHBondContact O-N 2.9Å; L1257-S1260 WeakPolarHBondContact O-CB 3.41Å; L1257-S1260 PolarHBondContact O-N 2.77Å; L1257-S1260 PolarHBondContact O-OG 2.91Å; L1257-L1262 HydrophobicContact CD1-CD1 3.92Å; L1257-T1265 HydrophobicContact CD1-CG2 4.16Å; L1257-T1265 HydrophobicContact CG-CG2 4.37Å; L1257-L1268 HydrophobicContact CD2-CD1 4.31Å; L1257-F1272 HydrophobicContact CD2-CD2 4.05Å; L1257-F1272 HydrophobicContact CD2-CE1 4.48Å; L1257-F1272 HydrophobicContact CD2-CE2 3.23Å; L1257-F1272 HydrophobicContact CD2-CZ 3.5Å
1258F80.5Confident81.2Confident2 Ų225.4 Ų25.41%0.00914%0.137CC..THydrogen-bonded Turntrans-70.4-28.1178.6-57.8-65.3000112S1260 I1269 F1272 I1297 L1301 Y1304 I2162F1258-S1260 PolarHBondContact O-N 2.7Å; F1258-I1269 HydrophobicContact CD1-CG1 4.34Å; F1258-I1269 HydrophobicContact CE1-CG1 3.7Å; F1258-I1269 HydrophobicContact CZ-CG1 4.27Å; F1258-F1272 HydrophobicContact CE2-CB 4.19Å; F1258-F1272 HydrophobicContact CE2-CD1 4.31Å; F1258-F1272 HydrophobicContact CE2-CD2 4.28Å; F1258-F1272 AromaticContact CE2-CG 3.99Å; F1258-F1272 HydrophobicContact CE2-CG 3.99Å; F1258-F1272 HydrophobicContact CZ-CB 4.03Å; F1258-F1272 AromaticContact CZ-CD2 3.84Å; F1258-F1272 HydrophobicContact CZ-CD2 3.84Å; F1258-F1272 AromaticContact CZ-CG 3.9Å; F1258-F1272 HydrophobicContact CZ-CG 3.9Å; F1258-I1297 HydrophobicContact CD2-CG2 4.3Å; F1258-I1297 HydrophobicContact CE2-CG2 3.92Å; F1258-L1301 HydrophobicContact CB-CD2 4.37Å; F1258-L1301 HydrophobicContact CD1-CD2 4Å; F1258-L1301 HydrophobicContact CD2-CD2 4.05Å; F1258-L1301 HydrophobicContact CD2-CG 4.39Å; F1258-L1301 HydrophobicContact CE1-CD2 4.34Å; F1258-L1301 HydrophobicContact CE2-CD1 4.28Å; F1258-L1301 HydrophobicContact CE2-CD2 4.39Å; F1258-L1301 HydrophobicContact CG-CD2 3.86Å; F1258-Y1304 PolarHBondContact O-OH 2.78Å; F1258-I2162 HydrophobicContact CB-CD1 4.02Å; F1258-I2162 WeakPolarHBondContact O-CD1 3.5Å
1259G69.3Low81.2Confident0 Ų025 Ų250%014%0.135CC..THydrogen-bonded Turntrans-82.923.5169.800000114.6M1255 R1256 L1257 K2142M1255-G1259 PolarHBondContact O-N 2.85Å; R1256-G1259 CarbonylContact O-C 3.48Å; R1256-G1259 VanDerWaalsContact O-C 3.26Å; R1256-G1259 PolarHBondContact O-N 2.99Å; L1257-G1259 VanDerWaalsContact C-N 3.28Å; L1257-G1259 PolarHBondContact O-N 2.9Å; G1259-K2142 WeakPolarHBondContact O-CD 3.42Å; G1259-K2142 PolarHBondContact O-NZ 3.46Å
1260S69.3Low81.2Confident13 Ų1326 Ų269%0.09114%0.141CC..SBendtrans-113.6159.9175.375.80000111.9R1256 L1257 F1258 L1262R1256-S1260 WeakPolarHBondContact O-CB 3.27Å; R1256-S1260 PolarHBondContact O-N 3.35Å; R1256-S1260 VanDerWaalsContact O-N 3.13Å; L1257-S1260 WeakPolarHBondContact O-CB 3.41Å; L1257-S1260 PolarHBondContact O-N 2.77Å; L1257-S1260 PolarHBondContact O-OG 2.91Å; F1258-S1260 PolarHBondContact O-N 2.7Å; S1260-L1262 PolarHBondContact O-N 2.83Å; S1260-L1262 WeakPolarHBondContact OG-CB 3.48Å; S1260-L1262 WeakPolarHBondContact OG-CD1 3.44Å; S1260-L1262 WeakPolarHBondContact OG-CG 3.37Å; S1260-L1262 PolarHBondContact OG-N 3.37Å
1261S62.9Low81.2Confident56 Ų5626 Ų2639%0.39214%0.141SC..  trans-82.216.2174.361.20000113.4L1018L1018-S1261 VanDerWaalsContact CD2-N 3.34Å
1262L77.1Confident81.4Confident11 Ų1122.2 Ų22.26%0.05813%0.126CC..  trans-64134.5-179.8-74.3172.8000111.1V1214 P1222 I1227 L1257 S1260 T1265V1214-L1262 HydrophobicContact CG1-CD1 3.91Å; V1214-L1262 HydrophobicContact CG1-CD2 4.15Å; V1214-L1262 WeakPolarHBondContact O-CD1 3.38Å; P1222-L1262 HydrophobicContact CB-CD2 4.42Å; P1222-L1262 HydrophobicContact CG-CD2 3.58Å; I1227-L1262 HydrophobicContact CD1-CD2 4.31Å; I1227-L1262 HydrophobicContact CG1-CD2 4.35Å; L1257-L1262 HydrophobicContact CD1-CD1 3.92Å; S1260-L1262 PolarHBondContact O-N 2.83Å; S1260-L1262 WeakPolarHBondContact OG-CB 3.48Å; S1260-L1262 WeakPolarHBondContact OG-CD1 3.44Å; S1260-L1262 WeakPolarHBondContact OG-CG 3.37Å; S1260-L1262 PolarHBondContact OG-N 3.37Å; L1262-T1265 HydrophobicContact CB-CG2 3.52Å; L1262-T1265 HydrophobicContact CD1-CG2 4.37Å
1263P78.1Confident81.7Confident69 Ų6922.4 Ų22.445%0.44813%0.127SC..THydrogen-bonded Turntrans-63142.9176.727.2-34.9000111I1227 Y1231 T1265I1227-P1263 HydrophobicContact CD1-CG 3.78Å; Y1231-P1263 WeakPolarHBondContact CE2-O 3.48Å; Y1231-P1263 PolarHBondContact OH-O 2.86Å; P1263-T1265 PolarHBondContact O-N 3.22Å
1264S82.5Confident82.1Confident58 Ų5823.3 Ų23.341%0.40613%0.133SC..THydrogen-bonded Turntrans55.824171.4-51.40000116.8H1266 L1267S1264-H1266 PolarHBondContact O-N 3.15Å; S1264-H1266 VanDerWaalsContact O-N 3.09Å; S1264-L1267 VanDerWaalsContact O-CB 3.29Å; S1264-L1267 WeakPolarHBondContact O-CB 3.45Å; S1264-L1267 WeakPolarHBondContact O-CG 3.28Å; S1264-L1267 PolarHBondContact O-N 3.32Å
1265T85Confident82.8Confident13 Ų1321.3 Ų21.38%0.0812%0.122CC..G310 helixtrans-53.7-28173.243.60000114Y1231 L1257 L1262 P1263 L1267 L1268Y1231-T1265 VanDerWaalsContact OH-CG2 3.27Å; Y1231-T1265 WeakPolarHBondContact OH-CG2 3.42Å; L1257-T1265 HydrophobicContact CD1-CG2 4.16Å; L1257-T1265 HydrophobicContact CG-CG2 4.37Å; L1262-T1265 HydrophobicContact CB-CG2 3.52Å; L1262-T1265 HydrophobicContact CD1-CG2 4.37Å; P1263-T1265 PolarHBondContact O-N 3.22Å; T1265-L1267 PolarHBondContact O-N 2.97Å; T1265-L1267 VanDerWaalsContact O-N 3.15Å; T1265-L1268 PolarHBondContact O-N 2.96Å
1266H85.5Confident83.7Confident64 Ų6421 Ų2130%0.29612%0.121SC..G310 helixtrans-59.9-21.2176.461.6-100.2000113.5S1264 L1268 I1269 L1311 E1312S1264-H1266 PolarHBondContact O-N 3.15Å; S1264-H1266 VanDerWaalsContact O-N 3.09Å; H1266-L1268 PolarHBondContact O-N 2.98Å; H1266-I1269 HydrophobicContact CB-CD1 3.88Å; H1266-I1269 WeakPolarHBondContact O-CG1 3.45Å; H1266-I1269 PolarHBondContact O-N 2.68Å; H1266-L1311 HydrophobicContact CB-CD2 4.31Å; H1266-E1312 PolarHBondContact CD2-O 3.41Å
1267L89.4Confident84.5Confident40 Ų4020.5 Ų20.521%0.20912%0.122CC..G310 helixtrans-63.5-21176.9-68.9177.9000113.9S1264 T1265 S1313 I1314 T1323S1264-L1267 VanDerWaalsContact O-CB 3.29Å; S1264-L1267 WeakPolarHBondContact O-CB 3.45Å; S1264-L1267 WeakPolarHBondContact O-CG 3.28Å; S1264-L1267 PolarHBondContact O-N 3.32Å; T1265-L1267 PolarHBondContact O-N 2.97Å; T1265-L1267 VanDerWaalsContact O-N 3.15Å; L1267-S1313 PolarHBondContact O-OG 3.01Å; L1267-I1314 HydrophobicContact CB-CD1 4.22Å; L1267-I1314 HydrophobicContact CB-CG1 4.26Å; L1267-I1314 WeakPolarHBondContact O-CB 3.35Å; L1267-I1314 WeakPolarHBondContact O-CG1 3.48Å; L1267-I1314 PolarHBondContact O-N 2.88Å; L1267-T1323 HydrophobicContact CD2-CG2 3.96Å
1268L91.3Very high84.9Confident0 Ų021.8 Ų21.80%013%0.131CC..G310 helixtrans-101.56.8-178.8-62.2176.4000113.4Y1231 I1234 H1235 L1257 T1265 H1266 L1270 D1271 F1272 I1314Y1231-L1268 HydrophobicContact CD1-CD1 3.5Å; Y1231-L1268 HydrophobicContact CD1-CG 4.41Å; Y1231-L1268 HydrophobicContact CE1-CD1 4.02Å; Y1231-L1268 HydrophobicContact CG-CD1 3.88Å; Y1231-L1268 HydrophobicContact CG-CG 4.34Å; I1234-L1268 HydrophobicContact CB-CD1 4.31Å; I1234-L1268 HydrophobicContact CG2-CD1 4.22Å; I1234-L1268 HydrophobicContact CG2-CD2 4.48Å; H1235-L1268 HydrophobicContact CB-CD2 4.39Å; L1257-L1268 HydrophobicContact CD2-CD1 4.31Å; T1265-L1268 PolarHBondContact O-N 2.96Å; H1266-L1268 PolarHBondContact O-N 2.98Å; L1268-L1270 VanDerWaalsContact C-N 3.31Å; L1268-L1270 PolarHBondContact O-N 2.79Å; L1268-D1271 WeakPolarHBondContact CD2-OD2 3.41Å; L1268-D1271 PolarHBondContact O-N 3.21Å; L1268-F1272 HydrophobicContact CB-CD2 3.98Å; L1268-F1272 HydrophobicContact CB-CE2 4.28Å; L1268-F1272 HydrophobicContact CD1-CE2 4.35Å; L1268-F1272 WeakPolarHBondContact O-CD2 3.27Å; L1268-F1272 PolarHBondContact O-N 3.25Å; L1268-I1314 HydrophobicContact CD2-CD1 4.34Å
1269I90.8Very high85.4Confident0 Ų021.7 Ų21.70%013%0.13CC..Hα-helixtrans-60.1-40.8-174.8-75.7171.9000111.6F1258 H1266 L1273 L1301 Y1304 L1311 L1329F1258-I1269 HydrophobicContact CD1-CG1 4.34Å; F1258-I1269 HydrophobicContact CE1-CG1 3.7Å; F1258-I1269 HydrophobicContact CZ-CG1 4.27Å; H1266-I1269 HydrophobicContact CB-CD1 3.88Å; H1266-I1269 WeakPolarHBondContact O-CG1 3.45Å; H1266-I1269 PolarHBondContact O-N 2.68Å; I1269-L1273 VanDerWaalsContact O-CB 3.26Å; I1269-L1273 WeakPolarHBondContact O-CB 3.49Å; I1269-L1273 PolarHBondContact O-N 3.48Å; I1269-L1301 HydrophobicContact CD1-CD2 4.22Å; I1269-L1301 HydrophobicContact CG1-CD2 4.1Å; I1269-L1301 HydrophobicContact CG2-CD1 4.41Å; I1269-Y1304 HydrophobicContact CD1-CD1 3.8Å; I1269-Y1304 HydrophobicContact CD1-CE1 4.13Å; I1269-L1311 HydrophobicContact CD1-CD1 4.22Å; I1269-L1329 HydrophobicContact CG2-CD1 3.62Å; I1269-L1329 HydrophobicContact CG2-CD2 3.97Å; I1269-L1329 HydrophobicContact CG2-CG 4.49Å
1270L91.2Very high86.3Confident23 Ų2322.2 Ų22.212%0.1213%0.133CC..Hα-helixtrans-78.9-30.2-179.7-61.2179.2000113.3L1268 L1273 S1274 S1313 P1316 I1324L1268-L1270 VanDerWaalsContact C-N 3.31Å; L1268-L1270 PolarHBondContact O-N 2.79Å; L1270-L1273 HydrophobicContact CD2-CD2 4.26Å; L1270-L1273 PolarHBondContact O-N 2.92Å; L1270-S1274 PolarHBondContact O-N 3.05Å; L1270-S1313 WeakPolarHBondContact CB-OG 3.35Å; L1270-S1313 WeakPolarHBondContact CG-OG 3.37Å; L1270-S1313 PolarHBondContact N-OG 2.66Å; L1270-S1313 VanDerWaalsContact N-OG 3.11Å; L1270-P1316 HydrophobicContact CB-CG 3.97Å; L1270-I1324 HydrophobicContact CD1-CD1 3.68Å; L1270-I1324 HydrophobicContact CD1-CG1 3.86Å
1271D92.2Very high87.1Confident0 Ų025.1 Ų25.10%015%0.153CC..Hα-helixtrans-61.3-53.1170-68-61.3000110.5H1235 L1268 L1273 S1274 D1275H1235-D1271 IonicContact CE1-OD1 3.18Å; H1235-D1271 IonicContact CG-OD1 2.77Å; H1235-D1271 IonicContact ND1-OD1 2.87Å; H1235-D1271 PolarHBondContact ND1-OD1 3.3Å; H1235-D1271 IonicContact ND1-OD2 3.14Å; L1268-D1271 WeakPolarHBondContact CD2-OD2 3.41Å; L1268-D1271 PolarHBondContact O-N 3.21Å; D1271-L1273 VanDerWaalsContact C-N 3.28Å; D1271-L1273 PolarHBondContact O-N 2.74Å; D1271-S1274 WeakPolarHBondContact O-CB 3.45Å; D1271-S1274 PolarHBondContact O-N 3.01Å; D1271-S1274 VanDerWaalsContact O-N 3.16Å; D1271-D1275 PolarHBondContact O-N 2.99Å
1272F92.2Very high88.2Confident0 Ų023.1 Ų23.10%014%0.138CC..Hα-helixtrans-60.8-35175.7-89.7-89.6000112.8I1234 V1249 I1250 C1253 L1257 F1258 L1268 D1275 V1276 I1297I1234-F1272 HydrophobicContact CG2-CE2 3.83Å; I1234-F1272 HydrophobicContact CG2-CZ 4.35Å; V1249-F1272 HydrophobicContact CG1-CE1 4Å; V1249-F1272 HydrophobicContact CG1-CZ 3.8Å; I1250-F1272 HydrophobicContact CD1-CD1 3.72Å; I1250-F1272 HydrophobicContact CD1-CE1 4.05Å; C1253-F1272 HydrophobicContact CB-CE1 3.89Å; C1253-F1272 HydrophobicContact CB-CZ 3.82Å; L1257-F1272 HydrophobicContact CD2-CD2 4.05Å; L1257-F1272 HydrophobicContact CD2-CE1 4.48Å; L1257-F1272 HydrophobicContact CD2-CE2 3.23Å; L1257-F1272 HydrophobicContact CD2-CZ 3.5Å; F1258-F1272 HydrophobicContact CE2-CB 4.19Å; F1258-F1272 HydrophobicContact CE2-CD1 4.31Å; F1258-F1272 HydrophobicContact CE2-CD2 4.28Å; F1258-F1272 AromaticContact CE2-CG 3.99Å; F1258-F1272 HydrophobicContact CE2-CG 3.99Å; F1258-F1272 HydrophobicContact CZ-CB 4.03Å; F1258-F1272 AromaticContact CZ-CD2 3.84Å; F1258-F1272 HydrophobicContact CZ-CD2 3.84Å; F1258-F1272 AromaticContact CZ-CG 3.9Å; F1258-F1272 HydrophobicContact CZ-CG 3.9Å; L1268-F1272 HydrophobicContact CB-CD2 3.98Å; L1268-F1272 HydrophobicContact CB-CE2 4.28Å; L1268-F1272 HydrophobicContact CD1-CE2 4.35Å; L1268-F1272 WeakPolarHBondContact O-CD2 3.27Å; L1268-F1272 PolarHBondContact O-N 3.25Å; F1272-D1275 PolarHBondContact O-N 3.44Å; F1272-V1276 VanDerWaalsContact O-CB 3.27Å; F1272-V1276 WeakPolarHBondContact O-CB 3.45Å; F1272-V1276 WeakPolarHBondContact O-CG2 3.49Å; F1272-V1276 PolarHBondContact O-N 3.12Å; F1272-I1297 HydrophobicContact CD1-CD1 4.04Å; F1272-I1297 HydrophobicContact CD1-CG2 4.48Å; F1272-I1297 HydrophobicContact CE1-CD1 4.26Å
1273L90.7Very high88.2Confident13 Ų1328 Ų287%0.06817%0.171CC..Hα-helixtrans-71.2-34.7177-173.358.5000112.5I1269 L1270 D1271 N1277 L1329 N1332 L1333I1269-L1273 VanDerWaalsContact O-CB 3.26Å; I1269-L1273 WeakPolarHBondContact O-CB 3.49Å; I1269-L1273 PolarHBondContact O-N 3.48Å; L1270-L1273 HydrophobicContact CD2-CD2 4.26Å; L1270-L1273 PolarHBondContact O-N 2.92Å; D1271-L1273 VanDerWaalsContact C-N 3.28Å; D1271-L1273 PolarHBondContact O-N 2.74Å; L1273-N1277 WeakPolarHBondContact O-CB 3.19Å; L1273-N1277 PolarHBondContact O-N 3.47Å; L1273-N1277 PolarHBondContact O-ND2 3.05Å; L1273-L1329 HydrophobicContact CD2-CD1 4.03Å; L1273-N1332 HydrophobicContact CD2-CB 3.83Å; L1273-L1333 HydrophobicContact CD1-CD2 4.1Å
1274S90.9Very high88.2Confident19 Ų1929.4 Ų29.413%0.13317%0.174CC..Hα-helixtrans-60.8-50.3168.6168.70000110.4K1241 L1270 D1271 N1277 V1278K1241-S1274 PolarHBondContact NZ-OG 3.37Å; L1270-S1274 PolarHBondContact O-N 3.05Å; D1271-S1274 WeakPolarHBondContact O-CB 3.45Å; D1271-S1274 PolarHBondContact O-N 3.01Å; D1271-S1274 VanDerWaalsContact O-N 3.16Å; S1274-N1277 PolarHBondContact O-N 2.7Å; S1274-V1278 PolarHBondContact O-N 2.93Å
1275D92.8Very high87.3Confident0 Ų031.6 Ų31.60%019%0.19CC..Hα-helixtrans-66.8-41.8-175.8-792.8000113.2S1238 V1246 I1250 D1271 F1272 N1277 V1278 V1279S1238-D1275 VanDerWaalsContact CA-OD1 3.3Å; S1238-D1275 WeakPolarHBondContact CA-OD1 3.44Å; S1238-D1275 WeakPolarHBondContact CB-OD1 3.42Å; S1238-D1275 WeakPolarHBondContact CB-OD2 3.42Å; S1238-D1275 VanDerWaalsContact OG-CG 3.29Å; S1238-D1275 PolarHBondContact OG-OD2 3.12Å; V1246-D1275 HydrophobicContact CG1-CB 3.64Å; I1250-D1275 HydrophobicContact CD1-CB 4.01Å; I1250-D1275 HydrophobicContact CG1-CB 4.26Å; D1271-D1275 PolarHBondContact O-N 2.99Å; F1272-D1275 PolarHBondContact O-N 3.44Å; D1275-N1277 VanDerWaalsContact C-N 3.28Å; D1275-N1277 PolarHBondContact O-N 3.49Å; D1275-V1278 WeakPolarHBondContact O-CB 3.41Å; D1275-V1278 PolarHBondContact O-N 3Å; D1275-V1278 VanDerWaalsContact O-N 3.12Å; D1275-V1279 WeakPolarHBondContact O-CG2 3.49Å; D1275-V1279 PolarHBondContact O-N 3.38Å
1276V91.4Very high86.3Confident1 Ų132.8 Ų32.81%0.00621%0.205CC..Hα-helixtrans-58.3-41.1172.2162.40000111.2I1250 F1272 V1278 V1279 L1280 A1294 I1297 I1298I1250-V1276 HydrophobicContact CD1-CG2 3.81Å; F1272-V1276 VanDerWaalsContact O-CB 3.27Å; F1272-V1276 WeakPolarHBondContact O-CB 3.45Å; F1272-V1276 WeakPolarHBondContact O-CG2 3.49Å; F1272-V1276 PolarHBondContact O-N 3.12Å; V1276-V1278 VanDerWaalsContact C-N 3.34Å; V1276-V1278 PolarHBondContact O-N 3Å; V1276-V1279 PolarHBondContact O-N 3.49Å; V1276-L1280 HydrophobicContact CG1-CD1 3.71Å; V1276-L1280 HydrophobicContact CG1-CG 4.3Å; V1276-L1280 WeakPolarHBondContact O-CB 3.38Å; V1276-L1280 WeakPolarHBondContact O-CG 3.35Å; V1276-L1280 PolarHBondContact O-N 2.85Å; V1276-A1294 HydrophobicContact CB-CB 4.44Å; V1276-A1294 HydrophobicContact CG1-CB 4.18Å; V1276-A1294 HydrophobicContact CG2-CB 4.06Å; V1276-I1297 HydrophobicContact CG2-CB 4.32Å; V1276-I1297 HydrophobicContact CG2-CD1 4.41Å; V1276-I1297 HydrophobicContact CG2-CG2 4.23Å; V1276-I1298 HydrophobicContact CG1-CD1 3.63Å; V1276-I1298 HydrophobicContact CG1-CG1 3.78Å
1277N90.2Very high85.2Confident48 Ų4833.1 Ų33.126%0.25721%0.211SC..Hα-helixtrans-69.4-30.1176.8-75.9-47.9000112.6L1273 S1274 D1275 S1281 S1336L1273-N1277 WeakPolarHBondContact O-CB 3.19Å; L1273-N1277 PolarHBondContact O-N 3.47Å; L1273-N1277 PolarHBondContact O-ND2 3.05Å; S1274-N1277 PolarHBondContact O-N 2.7Å; D1275-N1277 VanDerWaalsContact C-N 3.28Å; D1275-N1277 PolarHBondContact O-N 3.49Å; N1277-S1281 VanDerWaalsContact O-CB 3.22Å; N1277-S1281 WeakPolarHBondContact O-CB 3.36Å; N1277-S1281 PolarHBondContact O-N 2.97Å; N1277-S1281 PolarHBondContact O-OG 3.19Å; N1277-S1336 PolarHBondContact ND2-OG 3.2Å; N1277-S1336 PolarHBondContact OD1-OG 2.86Å
1278V90.3Very high84.3Confident28 Ų2839 Ų3917%0.1724%0.237CC..Hα-helixtrans-65.1-43.6168.3175.30000110.9E1243 S1274 D1275 V1276 S1281 N1282E1243-V1278 HydrophobicContact CG-CG1 4.43Å; S1274-V1278 PolarHBondContact O-N 2.93Å; D1275-V1278 WeakPolarHBondContact O-CB 3.41Å; D1275-V1278 PolarHBondContact O-N 3Å; D1275-V1278 VanDerWaalsContact O-N 3.12Å; V1276-V1278 VanDerWaalsContact C-N 3.34Å; V1276-V1278 PolarHBondContact O-N 3Å; V1278-S1281 PolarHBondContact O-OG 2.96Å; V1278-N1282 PolarHBondContact O-N 3.34Å
1279V90.4Very high84Confident0 Ų040 Ų400%024%0.243CC..Hα-helixtrans-64.1-43.5178177.30000112.3V1246 F1247 I1250 D1275 V1276 I1289 P1290 R1291 A1294V1246-V1279 HydrophobicContact CG1-CG2 4.43Å; F1247-V1279 HydrophobicContact CD1-CG2 3.75Å; F1247-V1279 HydrophobicContact CE1-CG2 3.96Å; I1250-V1279 HydrophobicContact CB-CG2 4.49Å; I1250-V1279 HydrophobicContact CG1-CG2 4.12Å; I1250-V1279 HydrophobicContact CG2-CG2 4.4Å; D1275-V1279 WeakPolarHBondContact O-CG2 3.49Å; D1275-V1279 PolarHBondContact O-N 3.38Å; V1276-V1279 PolarHBondContact O-N 3.49Å; V1279-I1289 HydrophobicContact CG1-CG2 3.78Å; V1279-P1290 HydrophobicContact CG1-CG 4.07Å; V1279-P1290 HydrophobicContact CG2-CG 4.23Å; V1279-R1291 HydrophobicContact CG1-CG 4.15Å; V1279-A1294 HydrophobicContact CB-CB 4.01Å; V1279-A1294 HydrophobicContact CG1-CB 3.74Å
1280L88Confident83.9Confident10 Ų1040 Ų405%0.05224%0.243CC..Hα-helixtrans-80.3-22.7-176.3-66.2175.4000113.9V1276 R1291 A1294 I1298 A1340 V1349V1276-L1280 HydrophobicContact CG1-CD1 3.71Å; V1276-L1280 HydrophobicContact CG1-CG 4.3Å; V1276-L1280 WeakPolarHBondContact O-CB 3.38Å; V1276-L1280 WeakPolarHBondContact O-CG 3.35Å; V1276-L1280 PolarHBondContact O-N 2.85Å; L1280-R1291 HydrophobicContact CD2-CB 4.41Å; L1280-A1294 HydrophobicContact CG-CB 4.48Å; L1280-I1298 HydrophobicContact CD1-CD1 3.86Å; L1280-A1340 HydrophobicContact CD1-CB 4.41Å; L1280-A1340 HydrophobicContact CD2-CB 4.45Å; L1280-V1349 HydrophobicContact CD2-CG1 4.47Å
1281S85.8Confident83.8Confident75 Ų7539.5 Ų39.552%0.52424%0.239SC..Hα-helixtrans-86.6-15.517560.20000114N1277 V1278N1277-S1281 VanDerWaalsContact O-CB 3.22Å; N1277-S1281 WeakPolarHBondContact O-CB 3.36Å; N1277-S1281 PolarHBondContact O-N 2.97Å; N1277-S1281 PolarHBondContact O-OG 3.19Å; V1278-S1281 PolarHBondContact O-OG 2.96Å
1282N86.3Confident83.4Confident14 Ų1441.4 Ų41.48%0.07525%0.253CS..  trans-64.6127.3178.2-170.6-65.7000110.5E1243 V1278 N1284 I1289 R1291E1243-N1282 PolarHBondContact OE1-ND2 3.01Å; E1243-N1282 PolarHBondContact OE2-ND2 3.14Å; V1278-N1282 PolarHBondContact O-N 3.34Å; N1282-N1284 PolarHBondContact O-N 2.9Å; N1282-N1284 WeakPolarHBondContact OD1-CB 3.42Å; N1282-N1284 PolarHBondContact OD1-N 2.95Å; N1282-N1284 VanDerWaalsContact OD1-N 3.08Å; N1282-N1284 PolarHBondContact OD1-ND2 2.62Å; N1282-I1289 HydrophobicContact CB-CD1 4.32Å; N1282-I1289 VanDerWaalsContact OD1-CD1 3.28Å; N1282-I1289 WeakPolarHBondContact OD1-CD1 3.22Å; N1282-R1291 PolarHBondContact O-NH2 3.02Å
1283P76.6Confident83.2Confident114 Ų11442.9 Ų42.974%0.7426%0.259SS*.  trans-82.5-10.6-172.532.4-37000114.4S1285P1283-S1285 PolarHBondContact O-N 3.28Å
1284N78.8Confident83.2Confident98 Ų9842.2 Ų42.252%0.52426%0.256SS..  trans-74.5120.9-170.3-62.6-65.9000111.3N1282 G1286 I1289 R1291N1282-N1284 PolarHBondContact O-N 2.9Å; N1282-N1284 WeakPolarHBondContact OD1-CB 3.42Å; N1282-N1284 PolarHBondContact OD1-N 2.95Å; N1282-N1284 VanDerWaalsContact OD1-N 3.08Å; N1282-N1284 PolarHBondContact OD1-ND2 2.62Å; N1284-G1286 PolarHBondContact O-N 3.41Å; N1284-I1289 HydrophobicContact CB-CD1 4.02Å; N1284-R1291 VanDerWaalsContact O-CZ 3.27Å; N1284-R1291 PolarHBondContact O-NH1 3.4Å; N1284-R1291 PolarHBondContact O-NH2 2.87Å
1285S63.1Low83.1Confident104 Ų10441.3 Ų41.373%0.72725%0.25SC*.  trans-697179.754.80000115P1283P1283-S1285 PolarHBondContact O-N 3.28Å
1286G65.2Low82.7Confident38 Ų3842.2 Ų42.239%0.39226%0.256SS..  trans-61.9139.1-17800000113.9N1284 E1288 I1289N1284-G1286 PolarHBondContact O-N 3.41Å; G1286-E1288 PolarHBondContact O-N 2.99Å; G1286-I1289 PolarHBondContact O-N 3.1Å
1287T60.8Low82.6Confident70 Ų7042.2 Ų42.243%0.42926%0.256SS..THydrogen-bonded Turntrans-70.7-5.7-178.840.90000115.1D1566 T1569T1287-D1566 HydrophobicContact CG2-CB 4.27Å; T1287-D1566 WeakPolarHBondContact CG2-OD2 3.44Å; T1287-T1569 VanDerWaalsContact CB-CG2 3.5Å; T1287-T1569 HydrophobicContact CG2-CG2 3.44Å; T1287-T1569 VanDerWaalsContact CG2-CG2 3.44Å
1288E70.5Confident82.6Confident163 Ų16340 Ų4076%0.76224%0.244SC*.THydrogen-bonded Turntrans-84.3-12.9178.8-59.6-171.5163.400113.1R1251 G1286R1251-E1288 VanDerWaalsContact CZ-O 3.27Å; R1251-E1288 PolarHBondContact NH1-O 3.08Å; R1251-E1288 PolarHBondContact NH2-O 3.23Å; G1286-E1288 PolarHBondContact O-N 2.99Å
1289I85.6Confident82.4Confident22 Ų2239.2 Ų39.211%0.11324%0.239CC..SBendtrans-85.4125.3-178.3-56.2-172.9000110.6F1247 V1279 N1282 N1284 G1286 R1291F1247-I1289 HydrophobicContact CE1-CG2 4.48Å; F1247-I1289 HydrophobicContact CE2-CD1 4.3Å; F1247-I1289 HydrophobicContact CE2-CG1 4.02Å; F1247-I1289 HydrophobicContact CZ-CD1 4.4Å; F1247-I1289 HydrophobicContact CZ-CG1 4.44Å; F1247-I1289 HydrophobicContact CZ-CG2 4.33Å; V1279-I1289 HydrophobicContact CG1-CG2 3.78Å; N1282-I1289 HydrophobicContact CB-CD1 4.32Å; N1282-I1289 VanDerWaalsContact OD1-CD1 3.28Å; N1282-I1289 WeakPolarHBondContact OD1-CD1 3.22Å; N1284-I1289 HydrophobicContact CB-CD1 4.02Å; G1286-I1289 PolarHBondContact O-N 3.1Å; I1289-R1291 HydrophobicContact CG2-CG 3.88Å; I1289-R1291 PolarHBondContact O-N 3.1Å
1290P88.7Confident82.1Confident0 Ų039.2 Ų39.20%024%0.239CC..  trans-81.649.9-168.837-41.3000113.8F1247 I1250 R1251 V1279 S1292 E1293 A1294F1247-P1290 HydrophobicContact CB-CG 4.14Å; F1247-P1290 WeakPolarHBondContact O-CG 3.48Å; I1250-P1290 HydrophobicContact CB-CG 4.1Å; I1250-P1290 HydrophobicContact CG2-CB 4.07Å; I1250-P1290 HydrophobicContact CG2-CG 3.78Å; R1251-P1290 HydrophobicContact CB-CB 4.13Å; V1279-P1290 HydrophobicContact CG1-CG 4.07Å; V1279-P1290 HydrophobicContact CG2-CG 4.23Å; P1290-S1292 VanDerWaalsContact C-N 3.32Å; P1290-S1292 PolarHBondContact O-N 3.49Å; P1290-E1293 WeakPolarHBondContact CA-OE2 3.36Å; P1290-E1293 HydrophobicContact CB-CB 4.2Å; P1290-E1293 HydrophobicContact CB-CG 4.37Å; P1290-E1293 WeakPolarHBondContact CB-OE1 3.36Å; P1290-E1293 PolarHBondContact O-N 3.13Å; P1290-A1294 WeakPolarHBondContact O-CB 3.42Å; P1290-A1294 PolarHBondContact O-N 2.8Å
1291R88.1Confident82.2Confident12 Ų1238.9 Ų38.95%0.04524%0.237CC..Hα-helixtrans-63.1-36.9-174.7-62.3175.2163.699.43.3113.2V1279 L1280 N1282 N1284 I1289 A1294 T1295 D1344 V1349V1279-R1291 HydrophobicContact CG1-CG 4.15Å; L1280-R1291 HydrophobicContact CD2-CB 4.41Å; N1282-R1291 PolarHBondContact O-NH2 3.02Å; N1284-R1291 VanDerWaalsContact O-CZ 3.27Å; N1284-R1291 PolarHBondContact O-NH1 3.4Å; N1284-R1291 PolarHBondContact O-NH2 2.87Å; I1289-R1291 HydrophobicContact CG2-CG 3.88Å; I1289-R1291 PolarHBondContact O-N 3.1Å; R1291-A1294 PolarHBondContact O-N 3.46Å; R1291-T1295 WeakPolarHBondContact O-CB 3.36Å; R1291-T1295 PolarHBondContact O-N 3.38Å; R1291-T1295 PolarHBondContact O-OG1 3.21Å; R1291-D1344 VanDerWaalsContact CD-OD2 3.26Å; R1291-D1344 WeakPolarHBondContact CD-OD2 3.26Å; R1291-D1344 IonicContact NE-OD2 2.62Å; R1291-V1349 HydrophobicContact CB-CG2 3.5Å; R1291-V1349 VanDerWaalsContact CB-CG2 3.5Å
1292S85.2Confident82.4Confident41 Ų4135.5 Ų35.529%0.28721%0.213SC..Hα-helixtrans-59.2-49.817423.10000111.3P1290 T1295 S1296P1290-S1292 VanDerWaalsContact C-N 3.32Å; P1290-S1292 PolarHBondContact O-N 3.49Å; S1292-T1295 PolarHBondContact O-N 3.19Å; S1292-S1296 VanDerWaalsContact O-CB 3.29Å; S1292-S1296 WeakPolarHBondContact O-CB 3.24Å; S1292-S1296 PolarHBondContact O-N 2.92Å; S1292-S1296 PolarHBondContact O-OG 2.87Å
1293E87.1Confident82.4Confident30 Ų3034.9 Ų34.914%0.1421%0.21CC..Hα-helixtrans-65.8-40178.9-55.392.2120.600111.2I1250 R1251 N1254 P1290 S1296 I1297I1250-E1293 HydrophobicContact CG2-CB 4.24Å; R1251-E1293 IonicContact CZ-OE1 2.76Å; R1251-E1293 IonicContact NE-OE1 3.95Å; R1251-E1293 PolarHBondContact NE-OE1 3.23Å; R1251-E1293 VanDerWaalsContact NE-OE1 3.16Å; R1251-E1293 IonicContact NH2-OE1 2.71Å; N1254-E1293 HydrophobicContact CB-CB 4.34Å; P1290-E1293 WeakPolarHBondContact CA-OE2 3.36Å; P1290-E1293 HydrophobicContact CB-CB 4.2Å; P1290-E1293 HydrophobicContact CB-CG 4.37Å; P1290-E1293 WeakPolarHBondContact CB-OE1 3.36Å; P1290-E1293 PolarHBondContact O-N 3.13Å; E1293-S1296 WeakPolarHBondContact O-CB 3.33Å; E1293-S1296 PolarHBondContact O-N 3.47Å; E1293-I1297 WeakPolarHBondContact O-CG1 3.5Å; E1293-I1297 PolarHBondContact O-N 3.32Å
1294A90.6Very high82.9Confident0 Ų029.7 Ų29.70%018%0.175CC..Hα-helixtrans-61.9-46.7175.400000112.7I1250 V1276 V1279 L1280 P1290 R1291 S1296 I1297 I1298I1250-A1294 HydrophobicContact CG2-CB 3.92Å; V1276-A1294 HydrophobicContact CB-CB 4.44Å; V1276-A1294 HydrophobicContact CG1-CB 4.18Å; V1276-A1294 HydrophobicContact CG2-CB 4.06Å; V1279-A1294 HydrophobicContact CB-CB 4.01Å; V1279-A1294 HydrophobicContact CG1-CB 3.74Å; L1280-A1294 HydrophobicContact CG-CB 4.48Å; P1290-A1294 WeakPolarHBondContact O-CB 3.42Å; P1290-A1294 PolarHBondContact O-N 2.8Å; R1291-A1294 PolarHBondContact O-N 3.46Å; A1294-S1296 VanDerWaalsContact C-N 3.33Å; A1294-I1297 PolarHBondContact O-N 3.32Å; A1294-I1298 PolarHBondContact O-N 3.47Å
1295T89.3Confident83.3Confident0 Ų026.4 Ų26.40%016%0.16CC..Hα-helixtrans-65.8-39.1176.3-50.80000111.2R1291 S1292 I1297 I1298 L1299 L1337 V1349 L1352 A1353R1291-T1295 WeakPolarHBondContact O-CB 3.36Å; R1291-T1295 PolarHBondContact O-N 3.38Å; R1291-T1295 PolarHBondContact O-OG1 3.21Å; S1292-T1295 PolarHBondContact O-N 3.19Å; T1295-I1297 VanDerWaalsContact C-N 3.34Å; T1295-I1297 PolarHBondContact O-N 2.9Å; T1295-I1298 WeakPolarHBondContact O-CB 3.19Å; T1295-I1298 PolarHBondContact O-N 3.35Å; T1295-I1298 VanDerWaalsContact O-N 3.14Å; T1295-L1299 HydrophobicContact CG2-CD1 4.02Å; T1295-L1299 WeakPolarHBondContact O-CD1 3.48Å; T1295-L1299 PolarHBondContact O-N 3.44Å; T1295-L1299 VanDerWaalsContact O-N 3.14Å; T1295-L1337 HydrophobicContact CG2-CD2 4.31Å; T1295-V1349 WeakPolarHBondContact OG1-CG1 3.44Å; T1295-L1352 HydrophobicContact CG2-CB 3.78Å; T1295-A1353 HydrophobicContact CG2-CB 4.01Å
1296S85.4Confident84.3Confident18 Ų1823.1 Ų23.113%0.12613%0.132CC..Hα-helixtrans-60.5-41.2176.8-60.70000111.8N1254 M1255 S1292 E1293 A1294 I1298 L1299 S1300N1254-S1296 WeakPolarHBondContact OD1-CB 3.39Å; M1255-S1296 WeakPolarHBondContact CG-O 3.21Å; M1255-S1296 VanDerWaalsContact SD-CB 3.56Å; M1255-S1296 VanDerWaalsContact SD-O 3.37Å; S1292-S1296 VanDerWaalsContact O-CB 3.29Å; S1292-S1296 WeakPolarHBondContact O-CB 3.24Å; S1292-S1296 PolarHBondContact O-N 2.92Å; S1292-S1296 PolarHBondContact O-OG 2.87Å; E1293-S1296 WeakPolarHBondContact O-CB 3.33Å; E1293-S1296 PolarHBondContact O-N 3.47Å; A1294-S1296 VanDerWaalsContact C-N 3.33Å; S1296-I1298 VanDerWaalsContact C-N 3.35Å; S1296-I1298 PolarHBondContact O-N 2.94Å; S1296-L1299 PolarHBondContact O-N 3.19Å; S1296-S1300 PolarHBondContact O-N 3.3Å; S1296-S1300 VanDerWaalsContact O-N 3.11Å
1297I88.2Confident85.1Confident2 Ų224.6 Ų24.61%0.0113%0.128CC..Hα-helixtrans-57-45.6172.6-71158.3000111.4I1250 N1254 F1258 F1272 V1276 E1293 A1294 T1295 L1299 S1300 L1301I1250-I1297 HydrophobicContact CD1-CD1 3.82Å; I1250-I1297 HydrophobicContact CG2-CD1 4.12Å; N1254-I1297 VanDerWaalsContact C-CG1 3.44Å; N1254-I1297 WeakPolarHBondContact O-CG1 3.19Å; F1258-I1297 HydrophobicContact CD2-CG2 4.3Å; F1258-I1297 HydrophobicContact CE2-CG2 3.92Å; F1272-I1297 HydrophobicContact CD1-CD1 4.04Å; F1272-I1297 HydrophobicContact CD1-CG2 4.48Å; F1272-I1297 HydrophobicContact CE1-CD1 4.26Å; V1276-I1297 HydrophobicContact CG2-CB 4.32Å; V1276-I1297 HydrophobicContact CG2-CD1 4.41Å; V1276-I1297 HydrophobicContact CG2-CG2 4.23Å; E1293-I1297 WeakPolarHBondContact O-CG1 3.5Å; E1293-I1297 PolarHBondContact O-N 3.32Å; A1294-I1297 PolarHBondContact O-N 3.32Å; T1295-I1297 VanDerWaalsContact C-N 3.34Å; T1295-I1297 PolarHBondContact O-N 2.9Å; I1297-L1299 VanDerWaalsContact C-N 3.33Å; I1297-L1299 PolarHBondContact O-N 2.98Å; I1297-S1300 PolarHBondContact O-N 2.92Å; I1297-S1300 VanDerWaalsContact O-N 3.12Å; I1297-S1300 PolarHBondContact O-OG 3.04Å; I1297-L1301 HydrophobicContact CG2-CD1 4.2Å; I1297-L1301 PolarHBondContact O-N 3.4Å
1298I89.8Confident86Confident2 Ų223.9 Ų23.91%0.0112%0.119CC..Hα-helixtrans-57.6-46176.6-58.7166.4000110.9V1276 L1280 A1294 T1295 S1296 S1300 L1301 L1302 L1333 L1337V1276-I1298 HydrophobicContact CG1-CD1 3.63Å; V1276-I1298 HydrophobicContact CG1-CG1 3.78Å; L1280-I1298 HydrophobicContact CD1-CD1 3.86Å; A1294-I1298 PolarHBondContact O-N 3.47Å; T1295-I1298 WeakPolarHBondContact O-CB 3.19Å; T1295-I1298 PolarHBondContact O-N 3.35Å; T1295-I1298 VanDerWaalsContact O-N 3.14Å; S1296-I1298 VanDerWaalsContact C-N 3.35Å; S1296-I1298 PolarHBondContact O-N 2.94Å; I1298-S1300 VanDerWaalsContact C-N 3.25Å; I1298-S1300 PolarHBondContact O-N 3.29Å; I1298-L1301 PolarHBondContact O-N 2.85Å; I1298-L1302 PolarHBondContact O-N 3.49Å; I1298-L1333 HydrophobicContact CG2-CB 4.11Å; I1298-L1333 HydrophobicContact CG2-CD2 3.89Å; I1298-L1337 HydrophobicContact CB-CD2 4.12Å; I1298-L1337 HydrophobicContact CD1-CD2 4.36Å; I1298-L1337 HydrophobicContact CG2-CD1 4.26Å; I1298-L1337 HydrophobicContact CG2-CD2 3.66Å; I1298-L1337 HydrophobicContact CG2-CG 3.7Å
1299L87.2Confident85.8Confident10 Ų1022 Ų225%0.05211%0.114CC..Hα-helixtrans-59.5-34.7178.7-88.776.4000112.4T1295 S1296 I1297 L1301 L1302 L1337 V2158T1295-L1299 HydrophobicContact CG2-CD1 4.02Å; T1295-L1299 WeakPolarHBondContact O-CD1 3.48Å; T1295-L1299 PolarHBondContact O-N 3.44Å; T1295-L1299 VanDerWaalsContact O-N 3.14Å; S1296-L1299 PolarHBondContact O-N 3.19Å; I1297-L1299 VanDerWaalsContact C-N 3.33Å; I1297-L1299 PolarHBondContact O-N 2.98Å; L1299-L1301 VanDerWaalsContact C-N 3.26Å; L1299-L1301 PolarHBondContact O-N 3.37Å; L1299-L1302 HydrophobicContact CG-CD1 4.47Å; L1299-L1337 HydrophobicContact CD1-CD2 3.81Å; L1299-V2158 HydrophobicContact CD2-CG2 3.63Å
1300S84Confident85.3Confident0 Ų028.6 Ų28.60%014%0.144CC..Hα-helixtrans-68.1-23.4175.774.10000113.9S1296 I1297 I1298 Y1304S1296-S1300 PolarHBondContact O-N 3.3Å; S1296-S1300 VanDerWaalsContact O-N 3.11Å; I1297-S1300 PolarHBondContact O-N 2.92Å; I1297-S1300 VanDerWaalsContact O-N 3.12Å; I1297-S1300 PolarHBondContact O-OG 3.04Å; I1298-S1300 VanDerWaalsContact C-N 3.25Å; I1298-S1300 PolarHBondContact O-N 3.29Å; S1300-Y1304 WeakPolarHBondContact O-CE2 3.19Å
1301L89.1Confident85Confident3 Ų329.5 Ų29.52%0.01615%0.149CC..Hα-helixtrans-96-10.7-174.9-65.6173.5000113.8F1258 I1269 I1297 I1298 L1299 C1303 Y1304 P1305 L1333F1258-L1301 HydrophobicContact CB-CD2 4.37Å; F1258-L1301 HydrophobicContact CD1-CD2 4Å; F1258-L1301 HydrophobicContact CD2-CD2 4.05Å; F1258-L1301 HydrophobicContact CD2-CG 4.39Å; F1258-L1301 HydrophobicContact CE1-CD2 4.34Å; F1258-L1301 HydrophobicContact CE2-CD1 4.28Å; F1258-L1301 HydrophobicContact CE2-CD2 4.39Å; F1258-L1301 HydrophobicContact CG-CD2 3.86Å; I1269-L1301 HydrophobicContact CD1-CD2 4.22Å; I1269-L1301 HydrophobicContact CG1-CD2 4.1Å; I1269-L1301 HydrophobicContact CG2-CD1 4.41Å; I1297-L1301 HydrophobicContact CG2-CD1 4.2Å; I1297-L1301 PolarHBondContact O-N 3.4Å; I1298-L1301 PolarHBondContact O-N 2.85Å; L1299-L1301 VanDerWaalsContact C-N 3.26Å; L1299-L1301 PolarHBondContact O-N 3.37Å; L1301-C1303 PolarHBondContact O-N 2.75Å; L1301-C1303 VanDerWaalsContact O-N 3.08Å; L1301-Y1304 HydrophobicContact CD2-CD1 4.37Å; L1301-Y1304 HydrophobicContact CD2-CD2 4.07Å; L1301-Y1304 HydrophobicContact CD2-CE1 4.36Å; L1301-Y1304 HydrophobicContact CD2-CE2 4.07Å; L1301-Y1304 HydrophobicContact CD2-CG 4.24Å; L1301-Y1304 WeakPolarHBondContact O-CB 3.3Å; L1301-Y1304 PolarHBondContact O-N 3.46Å; L1301-P1305 WeakPolarHBondContact O-CD 3.22Å; L1301-L1333 HydrophobicContact CB-CD1 3.88Å; L1301-L1333 HydrophobicContact CB-CD2 3.87Å; L1301-L1333 HydrophobicContact CD1-CD2 4.13Å
1302L89.7Confident84.8Confident5 Ų533.6 Ų33.63%0.02617%0.169CC..THydrogen-bonded Turntrans-55.2-30.9-175.6-72176.3000114.7I1298 L1299 Y1306 L1333 L1337 G1356 I1359 I1363I1298-L1302 PolarHBondContact O-N 3.49Å; L1299-L1302 HydrophobicContact CG-CD1 4.47Å; L1302-Y1306 WeakPolarHBondContact O-CD2 3.48Å; L1302-L1333 HydrophobicContact CD2-CB 4.42Å; L1302-L1337 HydrophobicContact CD1-CD1 4.26Å; L1302-L1337 HydrophobicContact CD2-CD1 3.94Å; L1302-G1356 WeakPolarHBondContact CD1-O 3.33Å; L1302-I1359 HydrophobicContact CD1-CB 4.33Å; L1302-I1359 HydrophobicContact CD1-CG2 3.98Å; L1302-I1363 HydrophobicContact CB-CD1 4.09Å
1303C87.6Confident85Confident1 Ų131.6 Ų31.61%0.00716%0.155CC..THydrogen-bonded Turntrans-81.4-19.8178.6-68.40000114.2L1301 Y1306 H1307 I1363 L2140 I2162 T2164L1301-C1303 PolarHBondContact O-N 2.75Å; L1301-C1303 VanDerWaalsContact O-N 3.08Å; C1303-Y1306 PolarHBondContact O-N 3.3Å; C1303-H1307 PolarHBondContact O-N 2.73Å; C1303-H1307 VanDerWaalsContact O-N 3.12Å; C1303-I1363 VanDerWaalsContact SG-CD1 3.53Å; C1303-L2140 HydrophobicContact CB-CD2 4.36Å; C1303-I2162 PolarHBondContact SG-O 3.32Å; C1303-T2164 HydrophobicContact CB-CG2 4.21Å
1304Y87.8Confident85.1Confident4 Ų431 Ų312%0.01615%0.152CC..Hα-helixtrans-62.2-45.2-171.6-78.9-121.6000113.1F1258 I1269 S1300 L1301 Y1306 H1307 F1308 L1311 L2140 I2162F1258-Y1304 PolarHBondContact O-OH 2.78Å; I1269-Y1304 HydrophobicContact CD1-CD1 3.8Å; I1269-Y1304 HydrophobicContact CD1-CE1 4.13Å; S1300-Y1304 WeakPolarHBondContact O-CE2 3.19Å; L1301-Y1304 HydrophobicContact CD2-CD1 4.37Å; L1301-Y1304 HydrophobicContact CD2-CD2 4.07Å; L1301-Y1304 HydrophobicContact CD2-CE1 4.36Å; L1301-Y1304 HydrophobicContact CD2-CE2 4.07Å; L1301-Y1304 HydrophobicContact CD2-CG 4.24Å; L1301-Y1304 WeakPolarHBondContact O-CB 3.3Å; L1301-Y1304 PolarHBondContact O-N 3.46Å; Y1304-Y1306 PolarHBondContact O-N 3.32Å; Y1304-Y1306 VanDerWaalsContact O-N 3.11Å; Y1304-H1307 PolarHBondContact O-N 3Å; Y1304-F1308 AromaticContact CD1-CD2 3.92Å; Y1304-F1308 HydrophobicContact CD1-CD2 3.92Å; Y1304-F1308 AromaticContact CD1-CE2 3.7Å; Y1304-F1308 HydrophobicContact CD1-CE2 3.7Å; Y1304-F1308 HydrophobicContact CE1-CE2 4.01Å; Y1304-F1308 HydrophobicContact CG-CD2 4.24Å; Y1304-F1308 HydrophobicContact CG-CE2 4.16Å; Y1304-F1308 PolarHBondContact O-N 2.91Å; Y1304-L1311 HydrophobicContact CD1-CD1 4.2Å; Y1304-L2140 HydrophobicContact CD2-CD1 4.27Å; Y1304-L2140 HydrophobicContact CE2-CD1 3.99Å; Y1304-I2162 HydrophobicContact CE2-CD1 4.18Å; Y1304-I2162 HydrophobicContact CE2-CG2 4.27Å
1305P86Confident85Confident30 Ų3032.6 Ų32.620%0.19516%0.161CC..Hα-helixtrans-63.2-15.4177.7-2333.8000115.4L1301 L1329 K1330 L1333L1301-P1305 WeakPolarHBondContact O-CD 3.22Å; P1305-L1329 HydrophobicContact CG-CB 4.16Å; P1305-L1329 HydrophobicContact CG-CD2 4.02Å; P1305-L1329 HydrophobicContact CG-CG 3.91Å; P1305-K1330 HydrophobicContact CB-CB 4.07Å; P1305-K1330 HydrophobicContact CG-CB 4.29Å; P1305-L1333 HydrophobicContact CG-CD1 4.26Å
1306Y83.3Confident84.8Confident35 Ų3533.4 Ų33.414%0.13717%0.166CC..Hα-helixtrans-100.4-28.8-178.5-63.6-90.6000112.4L1302 C1303 Y1304 Y1360 I1363 E1364 N1367L1302-Y1306 WeakPolarHBondContact O-CD2 3.48Å; C1303-Y1306 PolarHBondContact O-N 3.3Å; Y1304-Y1306 PolarHBondContact O-N 3.32Å; Y1304-Y1306 VanDerWaalsContact O-N 3.11Å; Y1306-Y1360 VanDerWaalsContact OH-CE2 3.3Å; Y1306-Y1360 WeakPolarHBondContact OH-CE2 3.42Å; Y1306-I1363 HydrophobicContact CD1-CG2 3.99Å; Y1306-I1363 HydrophobicContact CD2-CG2 3.38Å; Y1306-I1363 HydrophobicContact CE1-CG2 4.1Å; Y1306-I1363 HydrophobicContact CE2-CG2 3.52Å; Y1306-I1363 HydrophobicContact CG-CG2 3.63Å; Y1306-E1364 WeakPolarHBondContact CE1-OE2 3.24Å; Y1306-E1364 PolarHBondContact OH-OE2 3.46Å; Y1306-N1367 HydrophobicContact CD1-CB 3.78Å; Y1306-N1367 WeakPolarHBondContact CD1-ND2 3.38Å; Y1306-N1367 HydrophobicContact CE1-CB 4.26Å
1307H82.6Confident84.7Confident68 Ų6839.3 Ų39.332%0.31519%0.193SC..Hα-helixtrans-89.4-33.3179-165.688.1000112.7C1303 Y1304 N2138 L2140 T2164C1303-H1307 PolarHBondContact O-N 2.73Å; C1303-H1307 VanDerWaalsContact O-N 3.12Å; Y1304-H1307 PolarHBondContact O-N 3Å; H1307-N2138 PolarHBondContact NE2-O 2.93Å; H1307-L2140 HydrophobicContact CB-CD2 3.93Å; H1307-T2164 HydrophobicContact CB-CG2 4.01Å
1308F81Confident84.6Confident55 Ų5540.7 Ų40.724%0.24120%0.203CC..  trans-117.9110.5179.8-51.8-78.3000110.6Y1304 H1310 L1311 N2138 L2140Y1304-F1308 AromaticContact CD1-CD2 3.92Å; Y1304-F1308 HydrophobicContact CD1-CD2 3.92Å; Y1304-F1308 AromaticContact CD1-CE2 3.7Å; Y1304-F1308 HydrophobicContact CD1-CE2 3.7Å; Y1304-F1308 HydrophobicContact CE1-CE2 4.01Å; Y1304-F1308 HydrophobicContact CG-CD2 4.24Å; Y1304-F1308 HydrophobicContact CG-CE2 4.16Å; Y1304-F1308 PolarHBondContact O-N 2.91Å; F1308-H1310 PolarHBondContact O-N 3.43Å; F1308-L1311 HydrophobicContact CB-CD1 3.89Å; F1308-L1311 HydrophobicContact CB-CD2 3.68Å; F1308-L1311 HydrophobicContact CB-CG 3.58Å; F1308-L1311 HydrophobicContact CD1-CD2 4.21Å; F1308-L1311 HydrophobicContact CD2-CD1 4.02Å; F1308-L1311 HydrophobicContact CD2-CD2 4.2Å; F1308-L1311 HydrophobicContact CD2-CG 4.44Å; F1308-L1311 HydrophobicContact CG-CD1 4.23Å; F1308-L1311 HydrophobicContact CG-CD2 3.8Å; F1308-L1311 HydrophobicContact CG-CG 4.15Å; F1308-N2138 HydrophobicContact CZ-CB 4.07Å; F1308-L2140 HydrophobicContact CE2-CD1 3.93Å; F1308-L2140 HydrophobicContact CZ-CD1 4.32Å
1309N66.2Low84.2Confident123 Ų12346.3 Ų46.366%0.65823%0.231SC*.SBendtrans-67.2-35.5-177.5-69-53.4000113.4
1310H74.5Confident83.9Confident161 Ų16154.1 Ų54.175%0.74527%0.265SS*.SBendtrans-136.9113.4179.4-59.4-38.2000108.3F1308 L1325F1308-H1310 PolarHBondContact O-N 3.43Å; H1310-L1325 HydrophobicContact CB-CD2 4.46Å
1311L82Confident83.8Confident19 Ų1957 Ų5710%0.09929%0.288CS..  trans-112.8139.7170.6-72.1172000108.6H1266 I1269 Y1304 F1308 L1325 C1326H1266-L1311 HydrophobicContact CB-CD2 4.31Å; I1269-L1311 HydrophobicContact CD1-CD1 4.22Å; Y1304-L1311 HydrophobicContact CD1-CD1 4.2Å; F1308-L1311 HydrophobicContact CB-CD1 3.89Å; F1308-L1311 HydrophobicContact CB-CD2 3.68Å; F1308-L1311 HydrophobicContact CB-CG 3.58Å; F1308-L1311 HydrophobicContact CD1-CD2 4.21Å; F1308-L1311 HydrophobicContact CD2-CD1 4.02Å; F1308-L1311 HydrophobicContact CD2-CD2 4.2Å; F1308-L1311 HydrophobicContact CD2-CG 4.44Å; F1308-L1311 HydrophobicContact CG-CD1 4.23Å; F1308-L1311 HydrophobicContact CG-CD2 3.8Å; F1308-L1311 HydrophobicContact CG-CG 4.15Å; L1311-L1325 WeakPolarHBondContact O-CA 3.46Å; L1311-C1326 HydrophobicContact CB-CB 4.2Å; L1311-C1326 PolarHBondContact O-N 3.36Å
1312E84.5Confident83.6Confident98 Ų9862.8 Ų62.846%0.45831%0.313SS..EExtended strand (participates in β ladder)trans-96.2133.8164.5-76.3-172.5-143.900109.3H1266 T1323 I1324 L1325H1266-E1312 PolarHBondContact CD2-O 3.41Å; E1312-T1323 HydrophobicContact CB-CG2 4.3Å; E1312-T1323 WeakPolarHBondContact OE2-CB 3.3Å; E1312-T1323 PolarHBondContact OE2-OG1 2.98Å; E1312-I1324 WeakPolarHBondContact CA-O 3.46Å; E1312-L1325 HydrophobicContact CG-CD2 3.75Å; E1312-L1325 HydrophobicContact CG-CG 4.45Å
1313S89.1Confident83.5Confident0 Ų065.3 Ų65.30%033%0.329CS..EExtended strand (participates in β ladder)trans-127.9156.3170.7175.90000109L1267 L1270 T1323 I1324 C1326L1267-S1313 PolarHBondContact O-OG 3.01Å; L1270-S1313 WeakPolarHBondContact CB-OG 3.35Å; L1270-S1313 WeakPolarHBondContact CG-OG 3.37Å; L1270-S1313 PolarHBondContact N-OG 2.66Å; L1270-S1313 VanDerWaalsContact N-OG 3.11Å; S1313-T1323 CarbonylContact O-C 3.59Å; S1313-T1323 VanDerWaalsContact O-CA 3.27Å; S1313-T1323 WeakPolarHBondContact O-CA 3.28Å; S1313-I1324 PolarHBondContact N-O 2.95Å; S1313-I1324 PolarHBondContact O-N 3.44Å; S1313-C1326 WeakPolarHBondContact CB-SG 3.2Å
1314I90Very high83.5Confident16 Ų1668 Ų688%0.08234%0.342CS..EExtended strand (participates in β ladder)trans-61.4142.9168.9-61.1166.4000108.9H1235 L1267 L1268 P1316 A1321 K1322H1235-I1314 WeakPolarHBondContact CE1-CG2 3.29Å; H1235-I1314 WeakPolarHBondContact ND1-CG2 2.96Å; L1267-I1314 HydrophobicContact CB-CD1 4.22Å; L1267-I1314 HydrophobicContact CB-CG1 4.26Å; L1267-I1314 WeakPolarHBondContact O-CB 3.35Å; L1267-I1314 WeakPolarHBondContact O-CG1 3.48Å; L1267-I1314 PolarHBondContact O-N 2.88Å; L1268-I1314 HydrophobicContact CD2-CD1 4.34Å; I1314-P1316 WeakPolarHBondContact O-CD 3.47Å; I1314-A1321 HydrophobicContact CD1-CB 4.28Å; I1314-A1321 HydrophobicContact CG2-CB 4.16Å; I1314-K1322 WeakPolarHBondContact CA-O 3.45Å
1315D87.9Confident83.4Confident35 Ų3572.3 Ų72.319%0.18737%0.366CS..  trans-75110.3174.6178.9-5.1000110.8H1235 M1317 S1318 K1322 I1324H1235-D1315 PolarHBondContact CE1-O 3.18Å; D1315-M1317 PolarHBondContact O-N 2.67Å; D1315-M1317 WeakPolarHBondContact OD1-CB 3.14Å; D1315-M1317 PolarHBondContact OD1-N 2.94Å; D1315-S1318 PolarHBondContact O-N 3.22Å; D1315-K1322 PolarHBondContact N-O 2.81Å; D1315-I1324 HydrophobicContact CB-CD1 3.85Å; D1315-I1324 HydrophobicContact CB-CG1 4.05Å; D1315-I1324 HydrophobicContact CB-CG2 4.14Å
1316P85.2Confident83.2Confident17 Ų1771.7 Ų71.711%0.1136%0.362CS..THydrogen-bonded Turntrans-73.52.5-175.134.6-39.3000113.6L1270 I1314L1270-P1316 HydrophobicContact CB-CG 3.97Å; I1314-P1316 WeakPolarHBondContact O-CD 3.47Å
1317M83.7Confident83.1Confident141 Ų14176.4 Ų76.470%0.69539%0.388SS*.THydrogen-bonded Turntrans-104.8-2.9173.1-59.3-62.4-65.900112.4D1315D1315-M1317 PolarHBondContact O-N 2.67Å; D1315-M1317 WeakPolarHBondContact OD1-CB 3.14Å; D1315-M1317 PolarHBondContact OD1-N 2.94Å
1318S86.2Confident83.1Confident31 Ų3178 Ų7822%0.21740%0.399CS..  trans-112.9114.4-173-170.20000112.2H1235 D1315 K1320H1235-S1318 PolarHBondContact CE1-O 3.48Å; H1235-S1318 VanDerWaalsContact CE1-O 3.26Å; H1235-S1318 PolarHBondContact NE2-O 3.32Å; H1235-S1318 VanDerWaalsContact NE2-O 3.1Å; D1315-S1318 PolarHBondContact O-N 3.22Å; S1318-K1320 CarbonylContact O-C 3.58Å; S1318-K1320 PolarHBondContact O-N 2.76Å; S1318-K1320 PolarHBondContact OG-O 2.93Å
1319M81.8Confident83.5Confident121 Ų12175.6 Ų75.660%0.59639%0.389SS*.SBendtrans-60.5-8.4174.2-73.8-70.6-65.500114.7V1239V1239-M1319 HydrophobicContact CB-SD 4.22Å; V1239-M1319 HydrophobicContact CG1-CG 3.95Å; V1239-M1319 HydrophobicContact CG1-SD 3.44Å; V1239-M1319 WeakPolarHBondContact CG1-SD 3.45Å
1320K80.6Confident84.6Confident174 Ų17472 Ų7276%0.75737%0.367SS*.SBendtrans-109.2121.1168.2-67.7-177.1178.3-176.80107.2S1318 K1322S1318-K1320 CarbonylContact O-C 3.58Å; S1318-K1320 PolarHBondContact O-N 2.76Å; S1318-K1320 PolarHBondContact OG-O 2.93Å; K1320-K1322 VanDerWaalsContact C-N 3.28Å; K1320-K1322 WeakPolarHBondContact O-CB 3.5Å; K1320-K1322 PolarHBondContact O-N 2.72Å
1321A80.3Confident85.3Confident60 Ų6066.1 Ų66.150%0.49634%0.344SS..  trans-60.486.2-179.900000111.6I1314I1314-A1321 HydrophobicContact CD1-CB 4.28Å; I1314-A1321 HydrophobicContact CG2-CB 4.16Å
1322K85.9Confident85.6Confident124 Ų12468.5 Ų68.554%0.53936%0.357SS..  trans-111.6132.6-178.2178.3-159.1166.8-161.60107.4I1314 D1315 K1320I1314-K1322 WeakPolarHBondContact CA-O 3.45Å; D1315-K1322 PolarHBondContact N-O 2.81Å; K1320-K1322 VanDerWaalsContact C-N 3.28Å; K1320-K1322 WeakPolarHBondContact O-CB 3.5Å; K1320-K1322 PolarHBondContact O-N 2.72Å
1323T86.8Confident86Confident59 Ų5964 Ų6436%0.36234%0.335SS..EExtended strand (participates in β ladder)trans-77.8149.3176.454.50000113L1267 E1312 S1313L1267-T1323 HydrophobicContact CD2-CG2 3.96Å; E1312-T1323 HydrophobicContact CB-CG2 4.3Å; E1312-T1323 WeakPolarHBondContact OE2-CB 3.3Å; E1312-T1323 PolarHBondContact OE2-OG1 2.98Å; S1313-T1323 CarbonylContact O-C 3.59Å; S1313-T1323 VanDerWaalsContact O-CA 3.27Å; S1313-T1323 WeakPolarHBondContact O-CA 3.28Å
1324I88.8Confident86.1Confident56 Ų5664 Ų6429%0.28734%0.336SS..EExtended strand (participates in β ladder)trans-140.2154.5172.155.4170.3000109.3L1270 E1312 S1313 D1315L1270-I1324 HydrophobicContact CD1-CD1 3.68Å; L1270-I1324 HydrophobicContact CD1-CG1 3.86Å; E1312-I1324 WeakPolarHBondContact CA-O 3.46Å; S1313-I1324 PolarHBondContact N-O 2.95Å; S1313-I1324 PolarHBondContact O-N 3.44Å; D1315-I1324 HydrophobicContact CB-CD1 3.85Å; D1315-I1324 HydrophobicContact CB-CG1 4.05Å; D1315-I1324 HydrophobicContact CB-CG2 4.14Å
1325L85.6Confident86.2Confident96 Ų9666.8 Ų66.850%0.50335%0.348SS..EExtended strand (participates in β ladder)trans-80.7129.6-178.7-70.4164.1000111.5H1310 L1311 E1312 I1327H1310-L1325 HydrophobicContact CB-CD2 4.46Å; L1311-L1325 WeakPolarHBondContact O-CA 3.46Å; E1312-L1325 HydrophobicContact CG-CD2 3.75Å; E1312-L1325 HydrophobicContact CG-CG 4.45Å; L1325-I1327 HydrophobicContact CB-CD1 4.32Å; L1325-I1327 HydrophobicContact CB-CG1 3.98Å; L1325-I1327 PolarHBondContact O-N 3.49Å
1326C82.2Confident86.3Confident17 Ų1765.3 Ų65.312%0.11534%0.341CS..  trans-77.449.8-177.7-58.30000113.9L1311 S1313 D1328 L1329L1311-C1326 HydrophobicContact CB-CB 4.2Å; L1311-C1326 PolarHBondContact O-N 3.36Å; S1313-C1326 WeakPolarHBondContact CB-SG 3.2Å; C1326-D1328 PolarHBondContact O-N 2.84Å; C1326-L1329 HydrophobicContact CB-CB 4.26Å; C1326-L1329 HydrophobicContact CB-CD2 4.41Å; C1326-L1329 WeakPolarHBondContact O-CB 3.33Å; C1326-L1329 PolarHBondContact O-N 3.08Å
1327I80.5Confident86.6Confident133 Ų13364.5 Ų64.568%0.68234%0.336SS*.THydrogen-bonded Turntrans-59.5-46.9-171.6-58.8173.7000111.7L1325 L1329L1325-I1327 HydrophobicContact CB-CD1 4.32Å; L1325-I1327 HydrophobicContact CB-CG1 3.98Å; L1325-I1327 PolarHBondContact O-N 3.49Å; I1327-L1329 VanDerWaalsContact C-N 3.31Å; I1327-L1329 PolarHBondContact O-N 3.35Å
1328D83.3Confident87Confident102 Ų10257.8 Ų57.855%0.54530%0.302SS..THydrogen-bonded Turntrans-91.220.3-173.5-55.6-54.9000114.1C1326 K1330 S1331 N1332C1326-D1328 PolarHBondContact O-N 2.84Å; D1328-K1330 PolarHBondContact O-N 2.87Å; D1328-S1331 PolarHBondContact O-N 3.07Å; D1328-S1331 PolarHBondContact O-OG 2.83Å; D1328-N1332 VanDerWaalsContact O-CG 3.24Å; D1328-N1332 PolarHBondContact O-N 3.38Å; D1328-N1332 VanDerWaalsContact O-N 3.08Å; D1328-N1332 PolarHBondContact O-ND2 3.39Å
1329L88.6Confident87.1Confident5 Ų559.9 Ų59.93%0.02631%0.309CS..Hα-helixtrans-62.3-38.1-174.5-174.961.2000112.9I1269 L1273 P1305 C1326 I1327 L1333I1269-L1329 HydrophobicContact CG2-CD1 3.62Å; I1269-L1329 HydrophobicContact CG2-CD2 3.97Å; I1269-L1329 HydrophobicContact CG2-CG 4.49Å; L1273-L1329 HydrophobicContact CD2-CD1 4.03Å; P1305-L1329 HydrophobicContact CG-CB 4.16Å; P1305-L1329 HydrophobicContact CG-CD2 4.02Å; P1305-L1329 HydrophobicContact CG-CG 3.91Å; C1326-L1329 HydrophobicContact CB-CB 4.26Å; C1326-L1329 HydrophobicContact CB-CD2 4.41Å; C1326-L1329 WeakPolarHBondContact O-CB 3.33Å; C1326-L1329 PolarHBondContact O-N 3.08Å; I1327-L1329 VanDerWaalsContact C-N 3.31Å; I1327-L1329 PolarHBondContact O-N 3.35Å; L1329-L1333 HydrophobicContact CD1-CD1 3.94Å; L1329-L1333 HydrophobicContact CD1-CD2 4.38Å; L1329-L1333 HydrophobicContact CD1-CG 3.95Å; L1329-L1333 HydrophobicContact CG-CD1 3.83Å; L1329-L1333 HydrophobicContact CG-CG 4.31Å; L1329-L1333 WeakPolarHBondContact O-CB 3.37Å; L1329-L1333 VanDerWaalsContact O-CG 3.24Å; L1329-L1333 WeakPolarHBondContact O-CG 3.39Å; L1329-L1333 PolarHBondContact O-N 3.46Å; L1329-L1333 VanDerWaalsContact O-N 3.11Å
1330K89.2Confident87.5Confident48 Ų4854.1 Ų54.121%0.20928%0.281CS..Hα-helixtrans-58.2-52.9176.1170.4178.5160.6177.60111.5P1305 D1328 V1334 Y1360 E1364 D1385P1305-K1330 HydrophobicContact CB-CB 4.07Å; P1305-K1330 HydrophobicContact CG-CB 4.29Å; D1328-K1330 PolarHBondContact O-N 2.87Å; K1330-V1334 VanDerWaalsContact O-CG2 3.32Å; K1330-V1334 WeakPolarHBondContact O-CG2 3.38Å; K1330-V1334 PolarHBondContact O-N 2.86Å; K1330-Y1360 HydrophobicContact CD-CE2 4.48Å; K1330-Y1360 VanDerWaalsContact CE-OH 3.3Å; K1330-Y1360 WeakPolarHBondContact CE-OH 3.33Å; K1330-Y1360 HydrophobicContact CG-CE2 4.3Å; K1330-E1364 VanDerWaalsContact NZ-CD 3.29Å; K1330-E1364 IonicContact NZ-OE1 2.66Å; K1330-E1364 PolarHBondContact NZ-OE1 2.97Å; K1330-E1364 IonicContact NZ-OE2 3.68Å; K1330-E1364 PolarHBondContact NZ-OE2 3.45Å; K1330-D1385 IonicContact NZ-OD2 2.87Å; K1330-D1385 PolarHBondContact NZ-OD2 3.45Å
1331S88.8Confident87.9Confident36 Ų3645.9 Ų45.925%0.25225%0.245SC..Hα-helixtrans-64.6-43.7-177.932.50000111.9D1328 V1334 H1335D1328-S1331 PolarHBondContact O-N 3.07Å; D1328-S1331 PolarHBondContact O-OG 2.83Å; S1331-V1334 PolarHBondContact O-N 3.06Å; S1331-H1335 WeakPolarHBondContact O-CB 3.49Å; S1331-H1335 PolarHBondContact O-CD2 3.05Å; S1331-H1335 PolarHBondContact O-N 2.86Å
1332N89.5Confident88.2Confident70 Ų7044 Ų4437%0.37423%0.226SC..Hα-helixtrans-66.6-44.4-176.4-64.1-15.4000111.9L1273 D1328 V1334 H1335 S1336L1273-N1332 HydrophobicContact CD2-CB 3.83Å; D1328-N1332 VanDerWaalsContact O-CG 3.24Å; D1328-N1332 PolarHBondContact O-N 3.38Å; D1328-N1332 VanDerWaalsContact O-N 3.08Å; D1328-N1332 PolarHBondContact O-ND2 3.39Å; N1332-V1334 PolarHBondContact O-N 3.36Å; N1332-H1335 PolarHBondContact O-N 3.17Å; N1332-S1336 PolarHBondContact O-N 2.69Å; N1332-S1336 PolarHBondContact O-OG 3.2Å
1333L92.1Very high88Confident2 Ų241.6 Ų41.61%0.0123%0.225CC..Hα-helixtrans-59.1-45.6176.1-69.2169.5000111.7L1273 I1298 L1301 L1302 P1305 L1329 S1336 L1337L1273-L1333 HydrophobicContact CD1-CD2 4.1Å; I1298-L1333 HydrophobicContact CG2-CB 4.11Å; I1298-L1333 HydrophobicContact CG2-CD2 3.89Å; L1301-L1333 HydrophobicContact CB-CD1 3.88Å; L1301-L1333 HydrophobicContact CB-CD2 3.87Å; L1301-L1333 HydrophobicContact CD1-CD2 4.13Å; L1302-L1333 HydrophobicContact CD2-CB 4.42Å; P1305-L1333 HydrophobicContact CG-CD1 4.26Å; L1329-L1333 HydrophobicContact CD1-CD1 3.94Å; L1329-L1333 HydrophobicContact CD1-CD2 4.38Å; L1329-L1333 HydrophobicContact CD1-CG 3.95Å; L1329-L1333 HydrophobicContact CG-CD1 3.83Å; L1329-L1333 HydrophobicContact CG-CG 4.31Å; L1329-L1333 WeakPolarHBondContact O-CB 3.37Å; L1329-L1333 VanDerWaalsContact O-CG 3.24Å; L1329-L1333 WeakPolarHBondContact O-CG 3.39Å; L1329-L1333 PolarHBondContact O-N 3.46Å; L1329-L1333 VanDerWaalsContact O-N 3.11Å; L1333-S1336 PolarHBondContact O-N 3.32Å; L1333-L1337 WeakPolarHBondContact O-CG 3.42Å; L1333-L1337 PolarHBondContact O-N 3.31Å; L1333-L1337 VanDerWaalsContact O-N 3.09Å
1334V91.8Very high87.8Confident1 Ų138.9 Ų38.91%0.00621%0.208CC..Hα-helixtrans-71.8-36.4-178.4179.80000111.7K1330 S1331 N1332 L1337 I1338 L1357 Y1360 L1387K1330-V1334 VanDerWaalsContact O-CG2 3.32Å; K1330-V1334 WeakPolarHBondContact O-CG2 3.38Å; K1330-V1334 PolarHBondContact O-N 2.86Å; S1331-V1334 PolarHBondContact O-N 3.06Å; N1332-V1334 PolarHBondContact O-N 3.36Å; V1334-L1337 WeakPolarHBondContact O-CB 3.5Å; V1334-L1337 PolarHBondContact O-N 2.7Å; V1334-I1338 HydrophobicContact CG1-CD1 4.02Å; V1334-I1338 HydrophobicContact CG1-CG1 4.39Å; V1334-I1338 WeakPolarHBondContact O-CG1 3.36Å; V1334-I1338 PolarHBondContact O-N 2.91Å; V1334-L1357 HydrophobicContact CG1-CD2 3.92Å; V1334-Y1360 HydrophobicContact CG1-CD1 4.13Å; V1334-Y1360 HydrophobicContact CG1-CE1 4Å; V1334-Y1360 HydrophobicContact CG2-CD1 4.02Å; V1334-Y1360 HydrophobicContact CG2-CD2 3.55Å; V1334-Y1360 HydrophobicContact CG2-CE1 4.09Å; V1334-Y1360 HydrophobicContact CG2-CE2 3.62Å; V1334-Y1360 HydrophobicContact CG2-CG 3.76Å; V1334-L1387 HydrophobicContact CB-CD1 4.27Å; V1334-L1387 HydrophobicContact CB-CD2 4.07Å; V1334-L1387 HydrophobicContact CB-CG 4.32Å; V1334-L1387 HydrophobicContact CG1-CD1 3.72Å; V1334-L1387 HydrophobicContact CG1-CD2 4.15Å; V1334-L1387 HydrophobicContact CG1-CG 3.84Å
1335H90.7Very high87.4Confident75 Ų7539 Ų3935%0.34721%0.212SC..Hα-helixtrans-63.8-40.2173.5-74.1-43.6000112.3S1331 N1332 L1337 I1338 Q1339S1331-H1335 WeakPolarHBondContact O-CB 3.49Å; S1331-H1335 PolarHBondContact O-CD2 3.05Å; S1331-H1335 PolarHBondContact O-N 2.86Å; N1332-H1335 PolarHBondContact O-N 3.17Å; H1335-L1337 VanDerWaalsContact C-N 3.33Å; H1335-L1337 PolarHBondContact O-N 3.32Å; H1335-I1338 PolarHBondContact O-N 2.95Å; H1335-Q1339 WeakPolarHBondContact O-CB 3.3Å; H1335-Q1339 PolarHBondContact O-N 3.02Å
1336S91.2Very high87.1Confident4 Ų436.2 Ų36.23%0.02820%0.201CC..Hα-helixtrans-63.1-36.3172.5-60.60000112.4N1277 N1332 L1333 A1340N1277-S1336 PolarHBondContact ND2-OG 3.2Å; N1277-S1336 PolarHBondContact OD1-OG 2.86Å; N1332-S1336 PolarHBondContact O-N 2.69Å; N1332-S1336 PolarHBondContact O-OG 3.2Å; L1333-S1336 PolarHBondContact O-N 3.32Å; S1336-A1340 WeakPolarHBondContact O-CB 3.4Å; S1336-A1340 PolarHBondContact O-N 3.01Å
1337L92Very high86.9Confident0 Ų035.5 Ų35.50%020%0.197CC..Hα-helixtrans-65.3-46.7171.4-68.7-179.9000112.4T1295 I1298 L1299 L1302 L1333 V1334 H1335 Q1339 A1340 V1341 A1353 L1357T1295-L1337 HydrophobicContact CG2-CD2 4.31Å; I1298-L1337 HydrophobicContact CB-CD2 4.12Å; I1298-L1337 HydrophobicContact CD1-CD2 4.36Å; I1298-L1337 HydrophobicContact CG2-CD1 4.26Å; I1298-L1337 HydrophobicContact CG2-CD2 3.66Å; I1298-L1337 HydrophobicContact CG2-CG 3.7Å; L1299-L1337 HydrophobicContact CD1-CD2 3.81Å; L1302-L1337 HydrophobicContact CD1-CD1 4.26Å; L1302-L1337 HydrophobicContact CD2-CD1 3.94Å; L1333-L1337 WeakPolarHBondContact O-CG 3.42Å; L1333-L1337 PolarHBondContact O-N 3.31Å; L1333-L1337 VanDerWaalsContact O-N 3.09Å; V1334-L1337 WeakPolarHBondContact O-CB 3.5Å; V1334-L1337 PolarHBondContact O-N 2.7Å; H1335-L1337 VanDerWaalsContact C-N 3.33Å; H1335-L1337 PolarHBondContact O-N 3.32Å; L1337-Q1339 VanDerWaalsContact C-N 3.3Å; L1337-Q1339 PolarHBondContact O-N 2.81Å; L1337-A1340 PolarHBondContact O-N 2.94Å; L1337-A1340 VanDerWaalsContact O-N 3.12Å; L1337-V1341 WeakPolarHBondContact O-CG2 3.35Å; L1337-V1341 PolarHBondContact O-N 3.43Å; L1337-A1353 HydrophobicContact CD2-CB 4.29Å; L1337-L1357 HydrophobicContact CB-CD2 3.69Å; L1337-L1357 HydrophobicContact CB-CG 4.13Å; L1337-L1357 HydrophobicContact CD1-CD2 4.03Å; L1337-L1357 HydrophobicContact CD1-CG 4.49Å
1338I91.4Very high86.8Confident0 Ų030.5 Ų30.50%017%0.17CC..Hα-helixtrans-58.2-45.2178.3-72.5171.2000110.2V1334 H1335 A1340 V1341 L1342 L1357 L1387 I1394V1334-I1338 HydrophobicContact CG1-CD1 4.02Å; V1334-I1338 HydrophobicContact CG1-CG1 4.39Å; V1334-I1338 WeakPolarHBondContact O-CG1 3.36Å; V1334-I1338 PolarHBondContact O-N 2.91Å; H1335-I1338 PolarHBondContact O-N 2.95Å; I1338-A1340 PolarHBondContact O-N 2.89Å; I1338-V1341 PolarHBondContact O-N 3.27Å; I1338-L1342 HydrophobicContact CG2-CD1 3.72Å; I1338-L1342 HydrophobicContact CG2-CG 4.42Å; I1338-L1342 WeakPolarHBondContact O-CB 3.43Å; I1338-L1342 VanDerWaalsContact O-CG 3.3Å; I1338-L1342 WeakPolarHBondContact O-CG 3.36Å; I1338-L1342 PolarHBondContact O-N 2.85Å; I1338-L1357 HydrophobicContact CG1-CD1 4.25Å; I1338-L1357 HydrophobicContact CG1-CD2 4.03Å; I1338-L1387 HydrophobicContact CD1-CD1 3.93Å; I1338-I1394 HydrophobicContact CB-CD1 4.31Å; I1338-I1394 HydrophobicContact CD1-CD1 4.04Å; I1338-I1394 HydrophobicContact CG1-CD1 3.81Å; I1338-I1394 HydrophobicContact CG2-CD1 3.66Å
1339Q88.1Confident86.9Confident74 Ų7425.7 Ų25.735%0.34615%0.145SC..Hα-helixtrans-58.6-47.2173.6-176.5176.7-15.700111.6H1335 L1337 V1341 L1342 S1343H1335-Q1339 WeakPolarHBondContact O-CB 3.3Å; H1335-Q1339 PolarHBondContact O-N 3.02Å; L1337-Q1339 VanDerWaalsContact C-N 3.3Å; L1337-Q1339 PolarHBondContact O-N 2.81Å; Q1339-V1341 PolarHBondContact O-N 2.97Å; Q1339-L1342 PolarHBondContact O-N 2.96Å; Q1339-S1343 WeakPolarHBondContact CG-OG 3.47Å; Q1339-S1343 PolarHBondContact O-N 2.84Å; Q1339-S1343 PolarHBondContact O-OG 3.1Å
1340A89.5Confident86.9Confident1 Ų126.4 Ų26.41%0.00815%0.147CC..Hα-helixtrans-63.1-35.4178.400000113.7L1280 S1336 L1337 I1338 D1344 V1349 A1353L1280-A1340 HydrophobicContact CD1-CB 4.41Å; L1280-A1340 HydrophobicContact CD2-CB 4.45Å; S1336-A1340 WeakPolarHBondContact O-CB 3.4Å; S1336-A1340 PolarHBondContact O-N 3.01Å; L1337-A1340 PolarHBondContact O-N 2.94Å; L1337-A1340 VanDerWaalsContact O-N 3.12Å; I1338-A1340 PolarHBondContact O-N 2.89Å; A1340-D1344 VanDerWaalsContact O-CB 3.24Å; A1340-D1344 WeakPolarHBondContact O-CB 3.09Å; A1340-V1349 HydrophobicContact CB-CG1 4.04Å; A1340-A1353 HydrophobicContact CB-CB 3.68Å
1341V89.3Confident86.8Confident0 Ų025.2 Ų25.20%014%0.144CC..Hα-helixtrans-66.8-44.3173.8173.90000111.7L1337 I1338 Q1339 R1350 A1353 I1354 L1357 I1394 M1398L1337-V1341 WeakPolarHBondContact O-CG2 3.35Å; L1337-V1341 PolarHBondContact O-N 3.43Å; I1338-V1341 PolarHBondContact O-N 3.27Å; Q1339-V1341 PolarHBondContact O-N 2.97Å; V1341-R1350 PolarHBondContact O-NH1 3.02Å; V1341-A1353 HydrophobicContact CB-CB 4.5Å; V1341-A1353 HydrophobicContact CG2-CB 3.46Å; V1341-A1353 VanDerWaalsContact CG2-CB 3.46Å; V1341-I1354 HydrophobicContact CG1-CG1 4Å; V1341-I1354 HydrophobicContact CG2-CG1 3.94Å; V1341-L1357 HydrophobicContact CG2-CD1 3.82Å; V1341-L1357 HydrophobicContact CG2-CG 4.46Å; V1341-I1394 HydrophobicContact CB-CG2 4.4Å; V1341-I1394 HydrophobicContact CG1-CG2 3.72Å; V1341-M1398 HydrophobicContact CG1-CE 4.03Å; V1341-M1398 HydrophobicContact CG1-CG 3.51Å; V1341-M1398 HydrophobicContact CG1-SD 3.74Å
1342L86.8Confident86.7Confident21 Ų2124.6 Ų24.611%0.1114%0.138CC..Hα-helixtrans-82.4-52.2-171.2-63175.1000112.4I1338 Q1339 R1350 I1394 L1557I1338-L1342 HydrophobicContact CG2-CD1 3.72Å; I1338-L1342 HydrophobicContact CG2-CG 4.42Å; I1338-L1342 WeakPolarHBondContact O-CB 3.43Å; I1338-L1342 VanDerWaalsContact O-CG 3.3Å; I1338-L1342 WeakPolarHBondContact O-CG 3.36Å; I1338-L1342 PolarHBondContact O-N 2.85Å; Q1339-L1342 PolarHBondContact O-N 2.96Å; L1342-R1350 VanDerWaalsContact O-CZ 3.23Å; L1342-R1350 PolarHBondContact O-NH1 3.1Å; L1342-R1350 PolarHBondContact O-NH2 2.76Å; L1342-I1394 HydrophobicContact CD2-CG2 4.42Å; L1342-L1557 HydrophobicContact CB-CD2 3.88Å; L1342-L1557 HydrophobicContact CD2-CD2 3.54Å; L1342-L1557 HydrophobicContact CG-CD2 4.29Å
1343S81.6Confident86.8Confident73 Ų7321.2 Ų21.251%0.5112%0.12SC..Hα-helixtrans-100.4-20.3-167.8600000116.4Q1339Q1339-S1343 WeakPolarHBondContact CG-OG 3.47Å; Q1339-S1343 PolarHBondContact O-N 2.84Å; Q1339-S1343 PolarHBondContact O-OG 3.1Å
1344D83.9Confident86.8Confident3 Ų321.1 Ų21.12%0.01612%0.12CC..  trans-65.9137.2-170-161.7-80.7000113.1R1291 A1340 S1346 V1349 R1350R1291-D1344 VanDerWaalsContact CD-OD2 3.26Å; R1291-D1344 WeakPolarHBondContact CD-OD2 3.26Å; R1291-D1344 IonicContact NE-OD2 2.62Å; A1340-D1344 VanDerWaalsContact O-CB 3.24Å; A1340-D1344 WeakPolarHBondContact O-CB 3.09Å; D1344-S1346 VanDerWaalsContact C-N 3.31Å; D1344-S1346 PolarHBondContact O-N 3.26Å; D1344-S1346 WeakPolarHBondContact OD1-CA 3.46Å; D1344-S1346 VanDerWaalsContact OD1-CB 3.27Å; D1344-S1346 WeakPolarHBondContact OD1-CB 3.48Å; D1344-S1346 PolarHBondContact OD1-N 3.03Å; D1344-V1349 HydrophobicContact CB-CB 4.29Å; D1344-V1349 HydrophobicContact CB-CG1 3.75Å; D1344-V1349 VanDerWaalsContact CG-CG1 3.41Å; D1344-V1349 WeakPolarHBondContact OD1-CB 3.47Å; D1344-R1350 PolarHBondContact O-NE 3.05Å; D1344-R1350 PolarHBondContact O-NH2 2.74Å
1345P79Confident86.7Confident57 Ų5721.5 Ų21.537%0.3712%0.122SC..SBendtrans-70.3-22.217827.6-35.4000114.1
1346S80.2Confident86.7Confident38 Ų3818 Ų1827%0.26611%0.106SC..  trans-87.1123.7-175.5-1800000112.5D1344 E1348 V1349 R1350D1344-S1346 VanDerWaalsContact C-N 3.31Å; D1344-S1346 PolarHBondContact O-N 3.26Å; D1344-S1346 WeakPolarHBondContact OD1-CA 3.46Å; D1344-S1346 VanDerWaalsContact OD1-CB 3.27Å; D1344-S1346 WeakPolarHBondContact OD1-CB 3.48Å; D1344-S1346 PolarHBondContact OD1-N 3.03Å; S1346-E1348 VanDerWaalsContact C-N 3.26Å; S1346-E1348 PolarHBondContact O-N 2.93Å; S1346-E1348 PolarHBondContact OG-N 3.5Å; S1346-V1349 PolarHBondContact O-N 3.32Å; S1346-R1350 PolarHBondContact O-N 3.31Å
1347G77.2Confident86.8Confident2 Ų217.8 Ų17.82%0.02110%0.104CC..Hα-helixtrans-65-27.3172.600000113.9C1351G1347-C1351 PolarHBondContact O-N 3.4Å; G1347-C1351 VanDerWaalsContact O-N 3.08Å; G1347-C1351 PolarHBondContact O-SG 3.12Å
1348E78.6Confident86.8Confident28 Ų2817.9 Ų17.913%0.13111%0.105CC..Hα-helixtrans-67.2-41.2174.6-165.4159.2-156.100110.6S1346 C1351 L1352 M1570S1346-E1348 VanDerWaalsContact C-N 3.26Å; S1346-E1348 PolarHBondContact O-N 2.93Å; S1346-E1348 PolarHBondContact OG-N 3.5Å; E1348-C1351 PolarHBondContact O-N 3.11Å; E1348-L1352 WeakPolarHBondContact O-CG 3.43Å; E1348-L1352 PolarHBondContact O-N 3.05Å; E1348-M1570 HydrophobicContact CB-CE 3.8Å; E1348-M1570 HydrophobicContact CG-CE 4.06Å; E1348-M1570 WeakPolarHBondContact OE2-CA 3.33Å
1349V86.1Confident86.8Confident1 Ų118.1 Ų18.11%0.00611%0.106CC..Hα-helixtrans-65.5-45.1175.8172.40000111.5L1280 R1291 T1295 A1340 D1344 S1346 C1351 L1352 A1353L1280-V1349 HydrophobicContact CD2-CG1 4.47Å; R1291-V1349 HydrophobicContact CB-CG2 3.5Å; R1291-V1349 VanDerWaalsContact CB-CG2 3.5Å; T1295-V1349 WeakPolarHBondContact OG1-CG1 3.44Å; A1340-V1349 HydrophobicContact CB-CG1 4.04Å; D1344-V1349 HydrophobicContact CB-CB 4.29Å; D1344-V1349 HydrophobicContact CB-CG1 3.75Å; D1344-V1349 VanDerWaalsContact CG-CG1 3.41Å; D1344-V1349 WeakPolarHBondContact OD1-CB 3.47Å; S1346-V1349 PolarHBondContact O-N 3.32Å; V1349-C1351 VanDerWaalsContact C-N 3.33Å; V1349-C1351 PolarHBondContact O-N 3.04Å; V1349-L1352 PolarHBondContact O-N 3.24Å; V1349-A1353 WeakPolarHBondContact O-CB 3.32Å; V1349-A1353 PolarHBondContact O-N 3.34Å
1350R88.3Confident87Confident20 Ų2014.7 Ų14.78%0.0759%0.09CC..Hα-helixtrans-58.6-43.4175.8-69.3-179.9-175.9-110.1-1.5111.9V1341 L1342 D1344 S1346 A1353 I1354 I1406V1341-R1350 PolarHBondContact O-NH1 3.02Å; L1342-R1350 VanDerWaalsContact O-CZ 3.23Å; L1342-R1350 PolarHBondContact O-NH1 3.1Å; L1342-R1350 PolarHBondContact O-NH2 2.76Å; D1344-R1350 PolarHBondContact O-NE 3.05Å; D1344-R1350 PolarHBondContact O-NH2 2.74Å; S1346-R1350 PolarHBondContact O-N 3.31Å; R1350-A1353 PolarHBondContact O-N 3.03Å; R1350-I1354 WeakPolarHBondContact O-CB 3.42Å; R1350-I1354 WeakPolarHBondContact O-CD1 3.36Å; R1350-I1354 VanDerWaalsContact O-CG1 3.23Å; R1350-I1354 WeakPolarHBondContact O-CG1 3.18Å; R1350-I1354 PolarHBondContact O-N 3.27Å; R1350-I1406 HydrophobicContact CB-CD1 4.08Å; R1350-I1406 HydrophobicContact CB-CG1 4.48Å; R1350-I1406 HydrophobicContact CB-CG2 4.4Å
1351C86.7Confident87.2Confident23 Ų2314.7 Ų14.716%0.1559%0.09CC..Hα-helixtrans-63-43.6175.4-710000112.6G1347 E1348 V1349 T1355 V1409G1347-C1351 PolarHBondContact O-N 3.4Å; G1347-C1351 VanDerWaalsContact O-N 3.08Å; G1347-C1351 PolarHBondContact O-SG 3.12Å; E1348-C1351 PolarHBondContact O-N 3.11Å; V1349-C1351 VanDerWaalsContact C-N 3.33Å; V1349-C1351 PolarHBondContact O-N 3.04Å; C1351-T1355 WeakPolarHBondContact O-CB 3.46Å; C1351-T1355 PolarHBondContact O-N 3.03Å; C1351-T1355 VanDerWaalsContact O-N 3.08Å; C1351-T1355 PolarHBondContact O-OG1 3.03Å; C1351-V1409 HydrophobicContact CB-CG1 4.28Å; C1351-V1409 HydrophobicContact CB-CG2 4.39Å
1352L87.4Confident87.3Confident23 Ų2314.7 Ų14.712%0.129%0.09CC..Hα-helixtrans-60.5-45.1174.4-71171.3000111.5T1295 E1348 V1349 T1355 G1356 V2158T1295-L1352 HydrophobicContact CG2-CB 3.78Å; E1348-L1352 WeakPolarHBondContact O-CG 3.43Å; E1348-L1352 PolarHBondContact O-N 3.05Å; V1349-L1352 PolarHBondContact O-N 3.24Å; L1352-T1355 CarbonylContact O-C 3.54Å; L1352-T1355 WeakPolarHBondContact O-CB 3.5Å; L1352-T1355 PolarHBondContact O-N 2.89Å; L1352-G1356 PolarHBondContact O-N 3.08Å; L1352-V2158 HydrophobicContact CD2-CB 4.31Å; L1352-V2158 HydrophobicContact CD2-CG1 3.81Å; L1352-V2158 HydrophobicContact CD2-CG2 4.17Å
1353A91.2Very high87.4Confident0 Ų013.7 Ų13.70%09%0.085CC..Hα-helixtrans-71.1-38.5-176.800000112.9T1295 L1337 A1340 V1341 V1349 R1350 T1355 G1356 L1357T1295-A1353 HydrophobicContact CG2-CB 4.01Å; L1337-A1353 HydrophobicContact CD2-CB 4.29Å; A1340-A1353 HydrophobicContact CB-CB 3.68Å; V1341-A1353 HydrophobicContact CB-CB 4.5Å; V1341-A1353 HydrophobicContact CG2-CB 3.46Å; V1341-A1353 VanDerWaalsContact CG2-CB 3.46Å; V1349-A1353 WeakPolarHBondContact O-CB 3.32Å; V1349-A1353 PolarHBondContact O-N 3.34Å; R1350-A1353 PolarHBondContact O-N 3.03Å; A1353-T1355 VanDerWaalsContact C-N 3.26Å; A1353-T1355 PolarHBondContact O-N 3.07Å; A1353-G1356 PolarHBondContact O-N 2.9Å; A1353-L1357 WeakPolarHBondContact O-CG 3.16Å; A1353-L1357 PolarHBondContact O-N 3.04Å
1354I91.7Very high87.8Confident0 Ų010.9 Ų10.90%06%0.064CC..Hα-helixtrans-56.5-43.2168.9-76.5164.9000110.6V1341 R1350 L1357 S1358 L1395 M1398 I1406 V1409 A1410 M1413V1341-I1354 HydrophobicContact CG1-CG1 4Å; V1341-I1354 HydrophobicContact CG2-CG1 3.94Å; R1350-I1354 WeakPolarHBondContact O-CB 3.42Å; R1350-I1354 WeakPolarHBondContact O-CD1 3.36Å; R1350-I1354 VanDerWaalsContact O-CG1 3.23Å; R1350-I1354 WeakPolarHBondContact O-CG1 3.18Å; R1350-I1354 PolarHBondContact O-N 3.27Å; I1354-L1357 PolarHBondContact O-N 3.28Å; I1354-S1358 PolarHBondContact O-N 2.96Å; I1354-S1358 VanDerWaalsContact O-N 3.09Å; I1354-L1395 HydrophobicContact CB-CD2 4.37Å; I1354-L1395 HydrophobicContact CG2-CD2 3.78Å; I1354-L1395 WeakPolarHBondContact O-CD2 3.39Å; I1354-M1398 HydrophobicContact CD1-CB 3.81Å; I1354-M1398 HydrophobicContact CD1-CE 4.01Å; I1354-M1398 HydrophobicContact CD1-CG 3.99Å; I1354-M1398 HydrophobicContact CG1-CB 4.32Å; I1354-M1398 HydrophobicContact CG1-CG 4.2Å; I1354-I1406 HydrophobicContact CD1-CG2 3.46Å; I1354-I1406 VanDerWaalsContact CD1-CG2 3.46Å; I1354-V1409 HydrophobicContact CG2-CG1 4.1Å; I1354-A1410 HydrophobicContact CD1-CB 4.46Å; I1354-A1410 HydrophobicContact CG2-CB 4.3Å; I1354-M1413 HydrophobicContact CG2-CB 4.42Å; I1354-M1413 HydrophobicContact CG2-CG 4.06Å
1355T89.6Confident88.1Confident9 Ų910.8 Ų10.86%0.0556%0.063CC..Hα-helixtrans-68.5-35.7178.2-54.20000111.9C1351 L1352 A1353 S1358 I1359 M1413 P2156 V2158C1351-T1355 WeakPolarHBondContact O-CB 3.46Å; C1351-T1355 PolarHBondContact O-N 3.03Å; C1351-T1355 VanDerWaalsContact O-N 3.08Å; C1351-T1355 PolarHBondContact O-OG1 3.03Å; L1352-T1355 CarbonylContact O-C 3.54Å; L1352-T1355 WeakPolarHBondContact O-CB 3.5Å; L1352-T1355 PolarHBondContact O-N 2.89Å; A1353-T1355 VanDerWaalsContact C-N 3.26Å; A1353-T1355 PolarHBondContact O-N 3.07Å; T1355-S1358 PolarHBondContact O-OG 3.24Å; T1355-I1359 HydrophobicContact CG2-CD1 4.27Å; T1355-I1359 WeakPolarHBondContact O-CB 3.31Å; T1355-I1359 WeakPolarHBondContact O-CG1 3.31Å; T1355-I1359 PolarHBondContact O-N 3.49Å; T1355-I1359 VanDerWaalsContact O-N 3.1Å; T1355-M1413 HydrophobicContact CG2-SD 4.02Å; T1355-P2156 WeakPolarHBondContact CG2-O 3.47Å; T1355-V2158 HydrophobicContact CG2-CG2 3.92Å
1356G91.2Very high88.5Confident0 Ų09 Ų90%05%0.051CC..Hα-helixtrans-63.3-42.4170.700000113L1302 L1352 A1353 I1359 Y1360L1302-G1356 WeakPolarHBondContact CD1-O 3.33Å; L1352-G1356 PolarHBondContact O-N 3.08Å; A1353-G1356 PolarHBondContact O-N 2.9Å; G1356-I1359 PolarHBondContact O-N 3.43Å; G1356-Y1360 WeakPolarHBondContact O-CB 3.06Å; G1356-Y1360 PolarHBondContact O-N 2.94Å
1357L92.4Very high88.6Confident0 Ų08.4 Ų8.40%05%0.045CC..Hα-helixtrans-66.5-36.5178-69.3-176.9000112.7V1334 L1337 I1338 V1341 A1353 I1354 Y1360 C1361 I1394 L1395V1334-L1357 HydrophobicContact CG1-CD2 3.92Å; L1337-L1357 HydrophobicContact CB-CD2 3.69Å; L1337-L1357 HydrophobicContact CB-CG 4.13Å; L1337-L1357 HydrophobicContact CD1-CD2 4.03Å; L1337-L1357 HydrophobicContact CD1-CG 4.49Å; I1338-L1357 HydrophobicContact CG1-CD1 4.25Å; I1338-L1357 HydrophobicContact CG1-CD2 4.03Å; V1341-L1357 HydrophobicContact CG2-CD1 3.82Å; V1341-L1357 HydrophobicContact CG2-CG 4.46Å; A1353-L1357 WeakPolarHBondContact O-CG 3.16Å; A1353-L1357 PolarHBondContact O-N 3.04Å; I1354-L1357 PolarHBondContact O-N 3.28Å; L1357-Y1360 PolarHBondContact O-N 2.89Å; L1357-C1361 PolarHBondContact O-N 3.13Å; L1357-C1361 PolarHBondContact O-SG 3.22Å; L1357-I1394 HydrophobicContact CD1-CG2 4.04Å; L1357-L1395 HydrophobicContact CB-CD1 4.32Å; L1357-L1395 HydrophobicContact CB-CD2 4.12Å; L1357-L1395 HydrophobicContact CB-CG 4.26Å
1358S92.1Very high88.7Confident2 Ų29.3 Ų9.31%0.0145%0.051CC..Hα-helixtrans-70.8-41.2176.269.80000112.1I1354 T1355 C1361 V1362 M1413I1354-S1358 PolarHBondContact O-N 2.96Å; I1354-S1358 VanDerWaalsContact O-N 3.09Å; T1355-S1358 PolarHBondContact O-OG 3.24Å; S1358-C1361 PolarHBondContact O-N 2.96Å; S1358-V1362 WeakPolarHBondContact O-CG2 3.35Å; S1358-V1362 PolarHBondContact O-N 2.91Å; S1358-M1413 WeakPolarHBondContact OG-CG 3.47Å; S1358-M1413 PolarHBondContact OG-SD 3.06Å
1359I91.7Very high88.4Confident6 Ų612.5 Ų12.53%0.0317%0.065CC..Hα-helixtrans-59.4-45.9171.6-73.1171.2000110.6L1302 T1355 G1356 C1361 V1362 I1363 P2156L1302-I1359 HydrophobicContact CD1-CB 4.33Å; L1302-I1359 HydrophobicContact CD1-CG2 3.98Å; T1355-I1359 HydrophobicContact CG2-CD1 4.27Å; T1355-I1359 WeakPolarHBondContact O-CB 3.31Å; T1355-I1359 WeakPolarHBondContact O-CG1 3.31Å; T1355-I1359 PolarHBondContact O-N 3.49Å; T1355-I1359 VanDerWaalsContact O-N 3.1Å; G1356-I1359 PolarHBondContact O-N 3.43Å; I1359-C1361 VanDerWaalsContact C-N 3.33Å; I1359-C1361 PolarHBondContact O-N 3.4Å; I1359-V1362 PolarHBondContact O-N 3.3Å; I1359-I1363 HydrophobicContact CG2-CD1 3.52Å; I1359-I1363 HydrophobicContact CG2-CG1 4.25Å; I1359-I1363 VanDerWaalsContact O-CG1 3.26Å; I1359-I1363 WeakPolarHBondContact O-CG1 3.36Å; I1359-I1363 PolarHBondContact O-N 3.11Å; I1359-P2156 HydrophobicContact CG1-CB 4.25Å
1360Y93.3Very high87.7Confident2 Ų214.5 Ų14.51%0.0088%0.079CC..Hα-helixtrans-55.1-46.5173.4163.4-110.4000111.9Y1306 K1330 V1334 G1356 L1357 V1362 I1363 E1364 S1391Y1306-Y1360 VanDerWaalsContact OH-CE2 3.3Å; Y1306-Y1360 WeakPolarHBondContact OH-CE2 3.42Å; K1330-Y1360 HydrophobicContact CD-CE2 4.48Å; K1330-Y1360 VanDerWaalsContact CE-OH 3.3Å; K1330-Y1360 WeakPolarHBondContact CE-OH 3.33Å; K1330-Y1360 HydrophobicContact CG-CE2 4.3Å; V1334-Y1360 HydrophobicContact CG1-CD1 4.13Å; V1334-Y1360 HydrophobicContact CG1-CE1 4Å; V1334-Y1360 HydrophobicContact CG2-CD1 4.02Å; V1334-Y1360 HydrophobicContact CG2-CD2 3.55Å; V1334-Y1360 HydrophobicContact CG2-CE1 4.09Å; V1334-Y1360 HydrophobicContact CG2-CE2 3.62Å; V1334-Y1360 HydrophobicContact CG2-CG 3.76Å; G1356-Y1360 WeakPolarHBondContact O-CB 3.06Å; G1356-Y1360 PolarHBondContact O-N 2.94Å; L1357-Y1360 PolarHBondContact O-N 2.89Å; Y1360-V1362 PolarHBondContact O-N 3.18Å; Y1360-I1363 PolarHBondContact O-N 2.93Å; Y1360-E1364 HydrophobicContact CE2-CB 4.42Å; Y1360-E1364 VanDerWaalsContact O-CB 3.27Å; Y1360-E1364 WeakPolarHBondContact O-CB 3.26Å; Y1360-E1364 PolarHBondContact O-N 3.36Å; Y1360-S1391 WeakPolarHBondContact CE1-OG 3.44Å
1361C92.6Very high86.7Confident0 Ų021.1 Ų21.10%010%0.104CC..Hα-helixtrans-62.5-39.3178.2-680000112.5L1357 S1358 I1359 L1365 F1388 I1392 L1417L1357-C1361 PolarHBondContact O-N 3.13Å; L1357-C1361 PolarHBondContact O-SG 3.22Å; S1358-C1361 PolarHBondContact O-N 2.96Å; I1359-C1361 VanDerWaalsContact C-N 3.33Å; I1359-C1361 PolarHBondContact O-N 3.4Å; C1361-L1365 WeakPolarHBondContact O-CB 3.36Å; C1361-L1365 WeakPolarHBondContact O-CD1 3.21Å; C1361-L1365 VanDerWaalsContact O-CG 3.24Å; C1361-L1365 WeakPolarHBondContact O-CG 3.47Å; C1361-L1365 PolarHBondContact O-N 3.43Å; C1361-L1365 VanDerWaalsContact O-N 3.08Å; C1361-F1388 HydrophobicContact CB-CD2 4.43Å; C1361-F1388 HydrophobicContact CB-CE2 3.86Å; C1361-I1392 HydrophobicContact CB-CD1 4.11Å; C1361-L1417 HydrophobicContact CB-CD1 4.36Å; C1361-L1417 HydrophobicContact CB-CD2 3.81Å
1362V91.5Very high85.4Confident1 Ų123 Ų231%0.00611%0.11CC..Hα-helixtrans-63.8-49.5173.8172.10000111.5S1358 I1359 Y1360 E1364 L1365 V1366 L1417 Y1420 V2167 L2171S1358-V1362 WeakPolarHBondContact O-CG2 3.35Å; S1358-V1362 PolarHBondContact O-N 2.91Å; I1359-V1362 PolarHBondContact O-N 3.3Å; Y1360-V1362 PolarHBondContact O-N 3.18Å; V1362-E1364 VanDerWaalsContact C-N 3.32Å; V1362-E1364 PolarHBondContact O-N 3.03Å; V1362-L1365 PolarHBondContact O-N 3.23Å; V1362-V1366 HydrophobicContact CG1-CG2 4.4Å; V1362-V1366 WeakPolarHBondContact O-CG2 3.38Å; V1362-V1366 PolarHBondContact O-N 2.87Å; V1362-L1417 HydrophobicContact CG2-CD2 3.7Å; V1362-Y1420 HydrophobicContact CB-CE2 4.42Å; V1362-Y1420 HydrophobicContact CG1-CD1 4.37Å; V1362-Y1420 HydrophobicContact CG1-CD2 4.39Å; V1362-Y1420 HydrophobicContact CG1-CE1 3.78Å; V1362-Y1420 HydrophobicContact CG1-CE2 3.84Å; V1362-Y1420 HydrophobicContact CG2-CD2 3.83Å; V1362-Y1420 HydrophobicContact CG2-CE2 3.68Å; V1362-V2167 HydrophobicContact CG1-CB 4.37Å; V1362-V2167 HydrophobicContact CG1-CG1 4.06Å; V1362-L2171 HydrophobicContact CB-CD2 4.49Å; V1362-L2171 HydrophobicContact CG1-CD2 4.23Å; V1362-L2171 HydrophobicContact CG1-CG 4.46Å; V1362-L2171 HydrophobicContact CG2-CD2 4.32Å
1363I90.1Very high83.9Confident0 Ų026 Ų260%013%0.133CC..Hα-helixtrans-58.9-45179.5-67.8165.9000110.6L1302 C1303 Y1306 I1359 Y1360 N1367 V2167L1302-I1363 HydrophobicContact CB-CD1 4.09Å; C1303-I1363 VanDerWaalsContact SG-CD1 3.53Å; Y1306-I1363 HydrophobicContact CD1-CG2 3.99Å; Y1306-I1363 HydrophobicContact CD2-CG2 3.38Å; Y1306-I1363 HydrophobicContact CE1-CG2 4.1Å; Y1306-I1363 HydrophobicContact CE2-CG2 3.52Å; Y1306-I1363 HydrophobicContact CG-CG2 3.63Å; I1359-I1363 HydrophobicContact CG2-CD1 3.52Å; I1359-I1363 HydrophobicContact CG2-CG1 4.25Å; I1359-I1363 VanDerWaalsContact O-CG1 3.26Å; I1359-I1363 WeakPolarHBondContact O-CG1 3.36Å; I1359-I1363 PolarHBondContact O-N 3.11Å; Y1360-I1363 PolarHBondContact O-N 2.93Å; I1363-N1367 VanDerWaalsContact CG2-ND2 3.33Å; I1363-N1367 WeakPolarHBondContact CG2-ND2 3.37Å; I1363-N1367 VanDerWaalsContact O-CB 3.25Å; I1363-N1367 WeakPolarHBondContact O-CB 3.28Å; I1363-N1367 PolarHBondContact O-N 3.39Å; I1363-N1367 PolarHBondContact O-ND2 3.05Å; I1363-V2167 HydrophobicContact CG1-CG1 4.22Å; I1363-V2167 HydrophobicContact CG1-CG2 4.37Å
1364E89.6Confident82.1Confident13 Ų1334.5 Ų34.56%0.06117%0.17CC..Hα-helixtrans-62.7-46.5179177.567.8-170.200111.9Y1306 K1330 Y1360 V1362 N1367 S1368 F1388 R1427Y1306-E1364 WeakPolarHBondContact CE1-OE2 3.24Å; Y1306-E1364 PolarHBondContact OH-OE2 3.46Å; K1330-E1364 VanDerWaalsContact NZ-CD 3.29Å; K1330-E1364 IonicContact NZ-OE1 2.66Å; K1330-E1364 PolarHBondContact NZ-OE1 2.97Å; K1330-E1364 IonicContact NZ-OE2 3.68Å; K1330-E1364 PolarHBondContact NZ-OE2 3.45Å; Y1360-E1364 HydrophobicContact CE2-CB 4.42Å; Y1360-E1364 VanDerWaalsContact O-CB 3.27Å; Y1360-E1364 WeakPolarHBondContact O-CB 3.26Å; Y1360-E1364 PolarHBondContact O-N 3.36Å; V1362-E1364 VanDerWaalsContact C-N 3.32Å; V1362-E1364 PolarHBondContact O-N 3.03Å; E1364-N1367 PolarHBondContact O-N 2.97Å; E1364-S1368 WeakPolarHBondContact O-CB 3.5Å; E1364-S1368 PolarHBondContact O-N 3.47Å; E1364-S1368 PolarHBondContact O-OG 2.96Å; E1364-F1388 HydrophobicContact CB-CD2 4.08Å; E1364-F1388 HydrophobicContact CB-CE2 4.32Å; E1364-F1388 HydrophobicContact CG-CD2 3.67Å; E1364-F1388 HydrophobicContact CG-CE2 4.16Å; E1364-F1388 HydrophobicContact CG-CG 4.36Å; E1364-R1427 VanDerWaalsContact CG-NH1 3.29Å; E1364-R1427 IonicContact OE1-CZ 3.18Å; E1364-R1427 IonicContact OE1-NH1 2.99Å; E1364-R1427 IonicContact OE1-NH2 3.35Å; E1364-R1427 PolarHBondContact OE1-NH2 3.01Å
1365L89Confident80.2Confident1 Ų138 Ų381%0.00519%0.192CC..Hα-helixtrans-63.3-47179-75165.8000112.8C1361 V1362 N1367 S1368 F1369 F1388 L1423 L1424C1361-L1365 WeakPolarHBondContact O-CB 3.36Å; C1361-L1365 WeakPolarHBondContact O-CD1 3.21Å; C1361-L1365 VanDerWaalsContact O-CG 3.24Å; C1361-L1365 WeakPolarHBondContact O-CG 3.47Å; C1361-L1365 PolarHBondContact O-N 3.43Å; C1361-L1365 VanDerWaalsContact O-N 3.08Å; V1362-L1365 PolarHBondContact O-N 3.23Å; L1365-N1367 VanDerWaalsContact C-N 3.34Å; L1365-N1367 PolarHBondContact O-N 3.32Å; L1365-S1368 PolarHBondContact O-OG 2.78Å; L1365-S1368 VanDerWaalsContact O-OG 3.1Å; L1365-F1369 PolarHBondContact O-N 3.14Å; L1365-F1388 HydrophobicContact CD1-CE2 4.42Å; L1365-F1388 HydrophobicContact CD1-CZ 4.16Å; L1365-F1388 HydrophobicContact CD2-CE2 4.36Å; L1365-F1388 HydrophobicContact CD2-CZ 3.8Å; L1365-F1388 HydrophobicContact CG-CE2 3.96Å; L1365-F1388 HydrophobicContact CG-CZ 3.83Å; L1365-L1423 HydrophobicContact CB-CB 4.23Å; L1365-L1423 HydrophobicContact CB-CD1 4.06Å; L1365-L1423 HydrophobicContact CD2-CB 4.09Å; L1365-L1424 HydrophobicContact CD1-CD1 4.24Å; L1365-L1424 HydrophobicContact CD1-CD2 3.93Å; L1365-L1424 HydrophobicContact CD1-CG 3.75Å; L1365-L1424 HydrophobicContact CD2-CD2 3.91Å; L1365-L1424 HydrophobicContact CD2-CG 4.04Å; L1365-L1424 HydrophobicContact CG-CD2 4.5Å
1366V87.4Confident78.3Confident20 Ų2040 Ų4012%0.12121%0.214CC..Hα-helixtrans-67.4-37.5-178.8175.40000110.6V1362 S1370 Y1420 L1423 N2166 V2167V1362-V1366 HydrophobicContact CG1-CG2 4.4Å; V1362-V1366 WeakPolarHBondContact O-CG2 3.38Å; V1362-V1366 PolarHBondContact O-N 2.87Å; V1366-S1370 VanDerWaalsContact O-CB 3.3Å; V1366-S1370 WeakPolarHBondContact O-CB 3.22Å; V1366-S1370 PolarHBondContact O-N 3.36Å; V1366-S1370 VanDerWaalsContact O-N 3.07Å; V1366-S1370 PolarHBondContact O-OG 3.1Å; V1366-Y1420 HydrophobicContact CG2-CD1 3.93Å; V1366-Y1420 HydrophobicContact CG2-CE1 3.75Å; V1366-L1423 HydrophobicContact CG2-CD1 4.13Å; V1366-N2166 HydrophobicContact CG1-CB 4.02Å; V1366-V2167 HydrophobicContact CB-CG1 4.19Å; V1366-V2167 HydrophobicContact CG1-CG1 4.34Å; V1366-V2167 HydrophobicContact CG2-CG1 4.25Å
1367N83.5Confident76.5Confident25 Ų2545.6 Ų45.613%0.13425%0.25CS..Hα-helixtrans-80.9-27.3-179.6-69.7-47.2000114.1Y1306 I1363 E1364 L1365 R1371 N2166Y1306-N1367 HydrophobicContact CD1-CB 3.78Å; Y1306-N1367 WeakPolarHBondContact CD1-ND2 3.38Å; Y1306-N1367 HydrophobicContact CE1-CB 4.26Å; I1363-N1367 VanDerWaalsContact CG2-ND2 3.33Å; I1363-N1367 WeakPolarHBondContact CG2-ND2 3.37Å; I1363-N1367 VanDerWaalsContact O-CB 3.25Å; I1363-N1367 WeakPolarHBondContact O-CB 3.28Å; I1363-N1367 PolarHBondContact O-N 3.39Å; I1363-N1367 PolarHBondContact O-ND2 3.05Å; E1364-N1367 PolarHBondContact O-N 2.97Å; L1365-N1367 VanDerWaalsContact C-N 3.34Å; L1365-N1367 PolarHBondContact O-N 3.32Å; N1367-R1371 WeakPolarHBondContact O-CG 3.4Å; N1367-R1371 PolarHBondContact O-N 3.38Å; N1367-N2166 PolarHBondContact OD1-ND2 3.16Å
1368S78.8Confident74.1Confident22 Ų2251 Ų5115%0.15429%0.287CS..Hα-helixtrans-66.3-48.8170.964.90000110.7E1364 L1365 S1370 R1371 E1372E1364-S1368 WeakPolarHBondContact O-CB 3.5Å; E1364-S1368 PolarHBondContact O-N 3.47Å; E1364-S1368 PolarHBondContact O-OG 2.96Å; L1365-S1368 PolarHBondContact O-OG 2.78Å; L1365-S1368 VanDerWaalsContact O-OG 3.1Å; S1368-S1370 VanDerWaalsContact C-N 3.31Å; S1368-S1370 PolarHBondContact O-N 3.04Å; S1368-R1371 WeakPolarHBondContact O-CB 3.27Å; S1368-R1371 PolarHBondContact O-N 3.2Å; S1368-E1372 PolarHBondContact O-N 3.18Å
1369F72.8Confident71.8Confident94 Ų9455.5 Ų55.541%0.41232%0.315SS..Hα-helixtrans-60-39.5175.6-172.5-100.5000112.5L1365 R1371 E1372 S1373 L1423L1365-F1369 PolarHBondContact O-N 3.14Å; F1369-R1371 PolarHBondContact O-N 2.91Å; F1369-E1372 PolarHBondContact O-N 2.89Å; F1369-S1373 WeakPolarHBondContact O-CB 3.48Å; F1369-S1373 PolarHBondContact O-N 3.17Å; F1369-S1373 PolarHBondContact O-OG 3.38Å; F1369-L1423 HydrophobicContact CB-CD2 3.98Å; F1369-L1423 HydrophobicContact CD1-CD2 4.18Å; F1369-L1423 HydrophobicContact CD2-CD2 3.78Å; F1369-L1423 HydrophobicContact CE2-CD2 4.3Å; F1369-L1423 HydrophobicContact CG-CD2 3.71Å
1370S70.3Confident69.7Low43 Ų4362.6 Ų62.630%0.30135%0.353SS..Hα-helixtrans-69.4-14.8176-59.90000114.7V1366 S1368V1366-S1370 VanDerWaalsContact O-CB 3.3Å; V1366-S1370 WeakPolarHBondContact O-CB 3.22Å; V1366-S1370 PolarHBondContact O-N 3.36Å; V1366-S1370 VanDerWaalsContact O-N 3.07Å; V1366-S1370 PolarHBondContact O-OG 3.1Å; S1368-S1370 VanDerWaalsContact C-N 3.31Å; S1368-S1370 PolarHBondContact O-N 3.04Å
1371R67.7Low67.5Low159 Ų15969.4 Ų69.460%0.638%0.383SS*.Hα-helixtrans-90.4-49171.8-80.4176.4164.3174.1-3110.9N1367 S1368 F1369 S1373 K1374N1367-R1371 WeakPolarHBondContact O-CG 3.4Å; N1367-R1371 PolarHBondContact O-N 3.38Å; S1368-R1371 WeakPolarHBondContact O-CB 3.27Å; S1368-R1371 PolarHBondContact O-N 3.2Å; F1369-R1371 PolarHBondContact O-N 2.91Å; R1371-S1373 PolarHBondContact O-N 3.43Å; R1371-K1374 PolarHBondContact O-N 3.17Å; R1371-K1374 VanDerWaalsContact O-N 3.09Å
1372E58.9Low65.6Low63 Ų6378.2 Ų78.229%0.29442%0.421SS..Hα-helixtrans-63.5-40.6-177.8-70.7176-13400112.2S1368 F1369 K1374 T1375 Y1426S1368-E1372 PolarHBondContact O-N 3.18Å; F1369-E1372 PolarHBondContact O-N 2.89Å; E1372-K1374 PolarHBondContact O-N 2.86Å; E1372-T1375 CarbonylContact O-C 3.57Å; E1372-T1375 PolarHBondContact O-N 3.42Å; E1372-T1375 PolarHBondContact O-OG1 2.93Å; E1372-Y1426 WeakPolarHBondContact OE2-CE1 3.38Å; E1372-Y1426 PolarHBondContact OE2-OH 2.97Å
1373S55.5Low63.9Low85 Ų8583.8 Ų83.859%0.59446%0.457SS*.THydrogen-bonded Turntrans-61.2-10.9174.151.70000115.3F1369 R1371F1369-S1373 WeakPolarHBondContact O-CB 3.48Å; F1369-S1373 PolarHBondContact O-N 3.17Å; F1369-S1373 PolarHBondContact O-OG 3.38Å; R1371-S1373 PolarHBondContact O-N 3.43Å
1374K55.3Low62.3Low180 Ų18085.9 Ų85.978%0.78347%0.467SS*.THydrogen-bonded Turntrans-101.4-11.3174.6-64-179.4-178.4178.20113.6R1371 E1372R1371-K1374 PolarHBondContact O-N 3.17Å; R1371-K1374 VanDerWaalsContact O-N 3.09Å; E1372-K1374 PolarHBondContact O-N 2.86Å
1375T50.4Low61.4Low74 Ų7488.3 Ų88.345%0.45448%0.481SS..SBendtrans-112.8113.9177.752.70000108.8E1372E1372-T1375 CarbonylContact O-C 3.57Å; E1372-T1375 PolarHBondContact O-N 3.42Å; E1372-T1375 PolarHBondContact O-OG1 2.93Å
1376G50.5Low60.9Low50 Ų5092.3 Ų92.352%0.51550%0.502SS..  trans-55.7163.9-175.800000114.2S1378G1376-S1378 PolarHBondContact O-N 3.4Å
1377P52Low60.9Low118 Ų11892.4 Ų92.477%0.76650%0.502SS*.THydrogen-bonded Turntrans-68.322.7-155.7-23.135.6000118.5
1378S42.1Very low61.2Low112 Ų11291.2 Ų91.278%0.78350%0.496SS*.THydrogen-bonded Turntrans-114.216.2-174.467.10000114.4G1376G1376-S1378 PolarHBondContact O-N 3.4Å
1379V45.4Very low61.6Low97 Ų9791.8 Ų91.859%0.58850%0.497SS*.SBendtrans-95.2126.3174.2-175.10000109.3F1381V1379-F1381 PolarHBondContact O-N 2.92Å
1380N46Very low62.3Low155 Ų15587.9 Ų87.983%0.82948%0.48SS*.PPolyproline II helixtrans-57.5126.9173.6-73.8-25.9000110.1K1382N1380-K1382 PolarHBondContact O-N 3.2Å; N1380-K1382 VanDerWaalsContact O-N 3.17Å
1381F48.4Very low63.3Low145 Ų14585.8 Ų85.864%0.63647%0.465SS*.PPolyproline II helixtrans-49.4123.2170.4-76.4-82.2000109.9V1379 Y1426V1379-F1381 PolarHBondContact O-N 2.92Å; F1381-Y1426 HydrophobicContact CE1-CE1 4.26Å; F1381-Y1426 AromaticContact CE1-CZ 4Å
1382K53.1Low64.4Low186 Ų18678.4 Ų78.481%0.80944%0.438SS*.PPolyproline II helixtrans-65.1140.1168.9-73.6-173.5174.7-174.10108.3N1380N1380-K1382 PolarHBondContact O-N 3.2Å; N1380-K1382 VanDerWaalsContact O-N 3.17Å
1383P54.6Low65.9Low117 Ų11775.6 Ų75.676%0.7643%0.425SS*.PPolyproline II helixtrans-55.7147.2166.926.7-34.1000109.3D1385P1383-D1385 PolarHBondContact O-N 3.02Å
1384M56.1Low67.6Low44 Ų4471.7 Ų71.722%0.21740%0.397CS..PPolyproline II helixtrans-55.1133-178-167.4-173.7-57.900110.5D1386 F1388 L1389 D1428 L1431M1384-D1386 PolarHBondContact O-N 3.11Å; M1384-D1386 VanDerWaalsContact O-N 3.07Å; M1384-F1388 HydrophobicContact CG-CD1 4.09Å; M1384-F1388 HydrophobicContact SD-CD1 3.83Å; M1384-F1388 HydrophobicContact SD-CE1 4.33Å; M1384-L1389 HydrophobicContact SD-CB 3.78Å; M1384-L1389 HydrophobicContact SD-CD1 4.11Å; M1384-L1389 HydrophobicContact SD-CG 4.34Å; M1384-D1428 HydrophobicContact CE-CB 3.43Å; M1384-D1428 VanDerWaalsContact CE-CB 3.43Å; M1384-L1431 HydrophobicContact CE-CD2 4.34Å
1385D71.5Confident69.4Low64 Ų6463.1 Ų63.134%0.34236%0.36SS..  trans-54.1115.8170.9-86.613.5000108.6K1330 P1383 L1387 F1388 L1389K1330-D1385 IonicContact NZ-OD2 2.87Å; K1330-D1385 PolarHBondContact NZ-OD2 3.45Å; P1383-D1385 PolarHBondContact O-N 3.02Å; D1385-L1387 PolarHBondContact O-N 2.89Å; D1385-F1388 HydrophobicContact CB-CB 4.26Å; D1385-F1388 WeakPolarHBondContact O-CB 3.37Å; D1385-F1388 PolarHBondContact O-N 3.14Å; D1385-L1389 PolarHBondContact O-N 3.15Å
1386D79.3Confident71.4Confident86 Ų8659.6 Ų59.646%0.4634%0.338SS..Hα-helixtrans-50.6-39.7-178.4-62.7-55.7000111.4M1384 F1388 L1389 E1390 K1550M1384-D1386 PolarHBondContact O-N 3.11Å; M1384-D1386 VanDerWaalsContact O-N 3.07Å; D1386-F1388 VanDerWaalsContact C-N 3.29Å; D1386-F1388 PolarHBondContact O-N 3.14Å; D1386-L1389 PolarHBondContact O-N 2.96Å; D1386-L1389 VanDerWaalsContact O-N 3.11Å; D1386-E1390 WeakPolarHBondContact O-CG 3.41Å; D1386-E1390 PolarHBondContact O-N 2.86Å; D1386-K1550 VanDerWaalsContact OD2-CE 3.29Å; D1386-K1550 WeakPolarHBondContact OD2-CE 3.46Å; D1386-K1550 IonicContact OD2-NZ 3.3Å; D1386-K1550 PolarHBondContact OD2-NZ 3.49Å
1387L86.3Confident73.2Confident21 Ų2157.2 Ų57.211%0.1131%0.314CS..Hα-helixtrans-60-31.7178.6-173.365.4000113.9V1334 I1338 D1385 S1391V1334-L1387 HydrophobicContact CB-CD1 4.27Å; V1334-L1387 HydrophobicContact CB-CD2 4.07Å; V1334-L1387 HydrophobicContact CB-CG 4.32Å; V1334-L1387 HydrophobicContact CG1-CD1 3.72Å; V1334-L1387 HydrophobicContact CG1-CD2 4.15Å; V1334-L1387 HydrophobicContact CG1-CG 3.84Å; I1338-L1387 HydrophobicContact CD1-CD1 3.93Å; D1385-L1387 PolarHBondContact O-N 2.89Å; L1387-S1391 WeakPolarHBondContact O-CB 3.47Å; L1387-S1391 PolarHBondContact O-N 2.92Å; L1387-S1391 VanDerWaalsContact O-N 3.13Å; L1387-S1391 PolarHBondContact O-OG 2.81Å
1388F89.2Confident75Confident0 Ų051.6 Ų51.60%028%0.278CS..Hα-helixtrans-74.2-42.3174175.3-94.7000111C1361 E1364 L1365 M1384 D1385 D1386 S1391 I1392 L1424 R1427 L1431C1361-F1388 HydrophobicContact CB-CD2 4.43Å; C1361-F1388 HydrophobicContact CB-CE2 3.86Å; E1364-F1388 HydrophobicContact CB-CD2 4.08Å; E1364-F1388 HydrophobicContact CB-CE2 4.32Å; E1364-F1388 HydrophobicContact CG-CD2 3.67Å; E1364-F1388 HydrophobicContact CG-CE2 4.16Å; E1364-F1388 HydrophobicContact CG-CG 4.36Å; L1365-F1388 HydrophobicContact CD1-CE2 4.42Å; L1365-F1388 HydrophobicContact CD1-CZ 4.16Å; L1365-F1388 HydrophobicContact CD2-CE2 4.36Å; L1365-F1388 HydrophobicContact CD2-CZ 3.8Å; L1365-F1388 HydrophobicContact CG-CE2 3.96Å; L1365-F1388 HydrophobicContact CG-CZ 3.83Å; M1384-F1388 HydrophobicContact CG-CD1 4.09Å; M1384-F1388 HydrophobicContact SD-CD1 3.83Å; M1384-F1388 HydrophobicContact SD-CE1 4.33Å; D1385-F1388 HydrophobicContact CB-CB 4.26Å; D1385-F1388 WeakPolarHBondContact O-CB 3.37Å; D1385-F1388 PolarHBondContact O-N 3.14Å; D1386-F1388 VanDerWaalsContact C-N 3.29Å; D1386-F1388 PolarHBondContact O-N 3.14Å; F1388-S1391 WeakPolarHBondContact O-CB 3.19Å; F1388-S1391 PolarHBondContact O-N 2.96Å; F1388-I1392 HydrophobicContact CE1-CG1 4.28Å; F1388-I1392 HydrophobicContact CZ-CG1 4.33Å; F1388-I1392 WeakPolarHBondContact O-CG1 3.2Å; F1388-I1392 PolarHBondContact O-N 2.97Å; F1388-I1392 VanDerWaalsContact O-N 3.11Å; F1388-L1424 HydrophobicContact CE1-CD2 4.17Å; F1388-L1424 HydrophobicContact CZ-CD2 3.85Å; F1388-R1427 VanDerWaalsContact CD1-NH1 3.29Å; F1388-R1427 VanDerWaalsContact CD2-NH1 3.33Å; F1388-L1431 HydrophobicContact CE1-CD2 4.06Å
1389L87.5Confident77.3Confident35 Ų3546.3 Ų46.318%0.18324%0.24CC..Hα-helixtrans-64.5-45.7176.4-175.356.5000111.4M1384 D1385 D1386 S1391 I1392 I1393 L1431M1384-L1389 HydrophobicContact SD-CB 3.78Å; M1384-L1389 HydrophobicContact SD-CD1 4.11Å; M1384-L1389 HydrophobicContact SD-CG 4.34Å; D1385-L1389 PolarHBondContact O-N 3.15Å; D1386-L1389 PolarHBondContact O-N 2.96Å; D1386-L1389 VanDerWaalsContact O-N 3.11Å; L1389-S1391 VanDerWaalsContact C-N 3.31Å; L1389-S1391 PolarHBondContact O-N 3Å; L1389-I1392 PolarHBondContact O-N 2.65Å; L1389-I1393 HydrophobicContact CD1-CD1 4.07Å; L1389-I1393 HydrophobicContact CD1-CG1 4.41Å; L1389-I1393 HydrophobicContact CG-CD1 3.8Å; L1389-I1393 VanDerWaalsContact O-CG1 3.31Å; L1389-I1393 WeakPolarHBondContact O-CG1 3.13Å; L1389-I1393 PolarHBondContact O-N 2.65Å; L1389-L1431 HydrophobicContact CD1-CD1 4.17Å
1390E88.1Confident79.3Confident11 Ų1143.5 Ų43.55%0.05122%0.219CC..Hα-helixtrans-56.3-44.3173.3-73.2-179.2159.800111.3D1386 I1392 I1393 I1394 C1549 K1550D1386-E1390 WeakPolarHBondContact O-CG 3.41Å; D1386-E1390 PolarHBondContact O-N 2.86Å; E1390-I1392 PolarHBondContact O-N 3.29Å; E1390-I1393 PolarHBondContact O-N 3.02Å; E1390-I1394 WeakPolarHBondContact O-CB 3.4Å; E1390-I1394 WeakPolarHBondContact O-CD1 3.31Å; E1390-I1394 WeakPolarHBondContact O-CG1 3.41Å; E1390-I1394 PolarHBondContact O-N 2.91Å; E1390-C1549 HydrophobicContact CG-CB 4.14Å; E1390-K1550 WeakPolarHBondContact OE1-CB 3.36Å; E1390-K1550 PolarHBondContact OE1-N 3.13Å
1391S92Very high81.2Confident0 Ų036.5 Ų36.50%018%0.181CC..Hα-helixtrans-59.4-43.9177.1-62.70000112.5Y1360 L1387 F1388 L1389 L1395Y1360-S1391 WeakPolarHBondContact CE1-OG 3.44Å; L1387-S1391 WeakPolarHBondContact O-CB 3.47Å; L1387-S1391 PolarHBondContact O-N 2.92Å; L1387-S1391 VanDerWaalsContact O-N 3.13Å; L1387-S1391 PolarHBondContact O-OG 2.81Å; F1388-S1391 WeakPolarHBondContact O-CB 3.19Å; F1388-S1391 PolarHBondContact O-N 2.96Å; L1389-S1391 VanDerWaalsContact C-N 3.31Å; L1389-S1391 PolarHBondContact O-N 3Å; S1391-L1395 VanDerWaalsContact O-CG 3.27Å; S1391-L1395 WeakPolarHBondContact O-CG 3.28Å; S1391-L1395 PolarHBondContact O-N 2.72Å
1392I91.2Very high82.6Confident3 Ų335.1 Ų35.12%0.01518%0.175CC..Hα-helixtrans-67.6-42.7177-62.3-69000111.4C1361 F1388 L1389 E1390 I1394 L1395 L1396 L1417 L1431 V1435C1361-I1392 HydrophobicContact CB-CD1 4.11Å; F1388-I1392 HydrophobicContact CE1-CG1 4.28Å; F1388-I1392 HydrophobicContact CZ-CG1 4.33Å; F1388-I1392 WeakPolarHBondContact O-CG1 3.2Å; F1388-I1392 PolarHBondContact O-N 2.97Å; F1388-I1392 VanDerWaalsContact O-N 3.11Å; L1389-I1392 PolarHBondContact O-N 2.65Å; E1390-I1392 PolarHBondContact O-N 3.29Å; I1392-I1394 VanDerWaalsContact C-N 3.34Å; I1392-I1394 PolarHBondContact O-N 3Å; I1392-L1395 PolarHBondContact O-N 3.36Å; I1392-L1396 HydrophobicContact CG2-CD1 3.99Å; I1392-L1396 HydrophobicContact CG2-CG 4.39Å; I1392-L1396 WeakPolarHBondContact O-CG 3.19Å; I1392-L1396 PolarHBondContact O-N 3.01Å; I1392-L1417 HydrophobicContact CD1-CD1 3.71Å; I1392-L1431 HydrophobicContact CG2-CD1 3.91Å; I1392-V1435 HydrophobicContact CG2-CG2 4.4Å
1393I90.1Very high84Confident5 Ų527.8 Ų27.83%0.02615%0.145CC..Hα-helixtrans-62.6-41.6178.2-66.9162.2000110.9L1389 E1390 L1396 G1397 I1546 I1553L1389-I1393 HydrophobicContact CD1-CD1 4.07Å; L1389-I1393 HydrophobicContact CD1-CG1 4.41Å; L1389-I1393 HydrophobicContact CG-CD1 3.8Å; L1389-I1393 VanDerWaalsContact O-CG1 3.31Å; L1389-I1393 WeakPolarHBondContact O-CG1 3.13Å; L1389-I1393 PolarHBondContact O-N 2.65Å; E1390-I1393 PolarHBondContact O-N 3.02Å; I1393-L1396 PolarHBondContact O-N 3.14Å; I1393-G1397 PolarHBondContact O-N 3.19Å; I1393-I1546 HydrophobicContact CG2-CG1 4.12Å; I1393-I1553 HydrophobicContact CG2-CD1 4.34Å
1394I90.9Very high85.4Confident2 Ų224.7 Ų24.71%0.0112%0.118CC..Hα-helixtrans-62.7-47.5175.6-70.3162.8000110.6I1338 V1341 L1342 L1357 E1390 I1392 L1396 G1397 M1398 I1553I1338-I1394 HydrophobicContact CB-CD1 4.31Å; I1338-I1394 HydrophobicContact CD1-CD1 4.04Å; I1338-I1394 HydrophobicContact CG1-CD1 3.81Å; I1338-I1394 HydrophobicContact CG2-CD1 3.66Å; V1341-I1394 HydrophobicContact CB-CG2 4.4Å; V1341-I1394 HydrophobicContact CG1-CG2 3.72Å; L1342-I1394 HydrophobicContact CD2-CG2 4.42Å; L1357-I1394 HydrophobicContact CD1-CG2 4.04Å; E1390-I1394 WeakPolarHBondContact O-CB 3.4Å; E1390-I1394 WeakPolarHBondContact O-CD1 3.31Å; E1390-I1394 WeakPolarHBondContact O-CG1 3.41Å; E1390-I1394 PolarHBondContact O-N 2.91Å; I1392-I1394 VanDerWaalsContact C-N 3.34Å; I1392-I1394 PolarHBondContact O-N 3Å; I1394-L1396 VanDerWaalsContact C-N 3.33Å; I1394-L1396 PolarHBondContact O-N 2.72Å; I1394-G1397 PolarHBondContact O-N 3.24Å; I1394-G1397 VanDerWaalsContact O-N 3.16Å; I1394-M1398 HydrophobicContact CG2-CG 4.4Å; I1394-M1398 WeakPolarHBondContact O-CG 3.29Å; I1394-M1398 PolarHBondContact O-N 2.83Å; I1394-I1553 HydrophobicContact CD1-CD1 4.37Å; I1394-I1553 HydrophobicContact CG1-CD1 3.65Å
1395L92.3Very high86.5Confident0 Ų023.1 Ų23.10%011%0.112CC..Hα-helixtrans-57.6-44.4176.7-73.2170.6000112.1I1354 L1357 S1391 I1392 M1398 M1399 I1414 L1417I1354-L1395 HydrophobicContact CB-CD2 4.37Å; I1354-L1395 HydrophobicContact CG2-CD2 3.78Å; I1354-L1395 WeakPolarHBondContact O-CD2 3.39Å; L1357-L1395 HydrophobicContact CB-CD1 4.32Å; L1357-L1395 HydrophobicContact CB-CD2 4.12Å; L1357-L1395 HydrophobicContact CB-CG 4.26Å; S1391-L1395 VanDerWaalsContact O-CG 3.27Å; S1391-L1395 WeakPolarHBondContact O-CG 3.28Å; S1391-L1395 PolarHBondContact O-N 2.72Å; I1392-L1395 PolarHBondContact O-N 3.36Å; L1395-M1398 PolarHBondContact O-N 2.99Å; L1395-M1399 PolarHBondContact O-N 3.19Å; L1395-I1414 HydrophobicContact CB-CD1 3.83Å; L1395-I1414 HydrophobicContact CB-CG1 4.4Å; L1395-L1417 HydrophobicContact CD1-CD1 4.17Å
1396L92.4Very high87.2Confident0 Ų020.1 Ų20.10%010%0.096CC..Hα-helixtrans-66-35.6176.8-67.7172.9000112.6I1392 I1393 I1394 M1399 I1414 L1434 V1435 L1542I1392-L1396 HydrophobicContact CG2-CD1 3.99Å; I1392-L1396 HydrophobicContact CG2-CG 4.39Å; I1392-L1396 WeakPolarHBondContact O-CG 3.19Å; I1392-L1396 PolarHBondContact O-N 3.01Å; I1393-L1396 PolarHBondContact O-N 3.14Å; I1394-L1396 VanDerWaalsContact C-N 3.33Å; I1394-L1396 PolarHBondContact O-N 2.72Å; L1396-M1399 HydrophobicContact CB-CE 4.32Å; L1396-M1399 HydrophobicContact CD2-CE 3.61Å; L1396-M1399 HydrophobicContact CD2-SD 4.12Å; L1396-M1399 WeakPolarHBondContact O-CB 3.36Å; L1396-I1414 HydrophobicContact CD2-CD1 3.64Å; L1396-I1414 HydrophobicContact CD2-CG1 4.07Å; L1396-I1414 HydrophobicContact CD2-CG2 4.34Å; L1396-I1414 HydrophobicContact CG-CD1 4.05Å; L1396-L1434 HydrophobicContact CD1-CG 4.48Å; L1396-V1435 HydrophobicContact CD1-CG2 4.04Å; L1396-V1435 HydrophobicContact CD2-CB 4.29Å; L1396-V1435 HydrophobicContact CD2-CG1 4.08Å; L1396-V1435 HydrophobicContact CD2-CG2 4.15Å; L1396-L1542 HydrophobicContact CB-CD1 3.83Å; L1396-L1542 HydrophobicContact CB-CD2 3.96Å; L1396-L1542 HydrophobicContact CD1-CD2 3.91Å
1397G88.8Confident87.7Confident1 Ų116 Ų161%0.017%0.074CC..Hα-helixtrans-64.5-42.8172.200000112.7I1393 I1394 M1399 R1400 F1558I1393-G1397 PolarHBondContact O-N 3.19Å; I1394-G1397 PolarHBondContact O-N 3.24Å; I1394-G1397 VanDerWaalsContact O-N 3.16Å; G1397-M1399 PolarHBondContact O-N 3.14Å; G1397-R1400 WeakPolarHBondContact O-CB 3.48Å; G1397-R1400 PolarHBondContact O-N 3.4Å; G1397-F1558 VanDerWaalsContact O-CD1 3.3Å; G1397-F1558 WeakPolarHBondContact O-CD1 3.49Å
1398M89.9Confident87.7Confident0 Ų015 Ų150%07%0.069CC..Hα-helixtrans-66.8-19.8-178.7-66-53.3-7000113.9V1341 I1354 I1394 L1395 R1400 F1401 I1406 A1410 F1558V1341-M1398 HydrophobicContact CG1-CE 4.03Å; V1341-M1398 HydrophobicContact CG1-CG 3.51Å; V1341-M1398 HydrophobicContact CG1-SD 3.74Å; I1354-M1398 HydrophobicContact CD1-CB 3.81Å; I1354-M1398 HydrophobicContact CD1-CE 4.01Å; I1354-M1398 HydrophobicContact CD1-CG 3.99Å; I1354-M1398 HydrophobicContact CG1-CB 4.32Å; I1354-M1398 HydrophobicContact CG1-CG 4.2Å; I1394-M1398 HydrophobicContact CG2-CG 4.4Å; I1394-M1398 WeakPolarHBondContact O-CG 3.29Å; I1394-M1398 PolarHBondContact O-N 2.83Å; L1395-M1398 PolarHBondContact O-N 2.99Å; M1398-R1400 PolarHBondContact O-N 3.47Å; M1398-R1400 VanDerWaalsContact O-N 3.1Å; M1398-F1401 HydrophobicContact CE-CB 4.29Å; M1398-F1401 HydrophobicContact CE-CD2 3.84Å; M1398-F1401 HydrophobicContact CE-CE2 4.4Å; M1398-F1401 HydrophobicContact CE-CG 4.03Å; M1398-F1401 WeakPolarHBondContact O-CB 3.38Å; M1398-F1401 PolarHBondContact O-N 3.3Å; M1398-F1401 HydrophobicContact SD-CD2 4.4Å; M1398-I1406 HydrophobicContact CE-CG2 3.6Å; M1398-A1410 HydrophobicContact CB-CB 3.89Å; M1398-F1558 HydrophobicContact SD-CD1 4.26Å; M1398-F1558 HydrophobicContact SD-CE1 3.96Å
1399M90.7Very high87.6Confident0 Ų016 Ų160%08%0.075CC..THydrogen-bonded Turntrans-58.3-19.7168.3-55.2-168.1-54.100113.2L1395 L1396 G1397 S1407 A1410 V1411 I1414 L1439 T1442 F1462L1395-M1399 PolarHBondContact O-N 3.19Å; L1396-M1399 HydrophobicContact CB-CE 4.32Å; L1396-M1399 HydrophobicContact CD2-CE 3.61Å; L1396-M1399 HydrophobicContact CD2-SD 4.12Å; L1396-M1399 WeakPolarHBondContact O-CB 3.36Å; G1397-M1399 PolarHBondContact O-N 3.14Å; M1399-S1407 WeakPolarHBondContact O-CB 3.41Å; M1399-A1410 HydrophobicContact CG-CB 4.07Å; M1399-V1411 HydrophobicContact CB-CG2 3.86Å; M1399-V1411 HydrophobicContact CG-CG2 3.8Å; M1399-V1411 HydrophobicContact SD-CG2 3.91Å; M1399-I1414 HydrophobicContact CG-CG1 4.35Å; M1399-I1414 HydrophobicContact SD-CB 4.16Å; M1399-I1414 HydrophobicContact SD-CG1 3.86Å; M1399-I1414 HydrophobicContact SD-CG2 4.18Å; M1399-L1439 HydrophobicContact CE-CD2 3.97Å; M1399-L1439 HydrophobicContact CE-CG 4.22Å; M1399-L1439 HydrophobicContact SD-CD2 3.53Å; M1399-L1439 VanDerWaalsContact SD-CD2 3.53Å; M1399-L1439 HydrophobicContact SD-CG 4.28Å; M1399-T1442 HydrophobicContact CB-CG2 4.39Å; M1399-F1462 WeakPolarHBondContact O-CE2 3.46Å; M1399-F1462 WeakPolarHBondContact O-CZ 3.47Å
1400R86.7Confident87.8Confident38 Ų3814.3 Ų14.314%0.1437%0.066CC..THydrogen-bonded Turntrans-103.75.5-175.9-57.1164.1176.1-168.7-1.1113.1G1397 M1398 W1441 T1442 D1540G1397-R1400 WeakPolarHBondContact O-CB 3.48Å; G1397-R1400 PolarHBondContact O-N 3.4Å; M1398-R1400 PolarHBondContact O-N 3.47Å; M1398-R1400 VanDerWaalsContact O-N 3.1Å; R1400-W1441 VanDerWaalsContact CZ-CZ3 3.49Å; R1400-W1441 VanDerWaalsContact NH2-CE3 3.26Å; R1400-T1442 HydrophobicContact CG-CG2 3.78Å; R1400-T1442 PolarHBondContact NE-OG1 2.85Å; R1400-T1442 VanDerWaalsContact NE-OG1 3.16Å; R1400-D1540 IonicContact CZ-OD1 2.71Å; R1400-D1540 IonicContact CZ-OD2 2.68Å; R1400-D1540 IonicContact NH1-OD1 3.99Å; R1400-D1540 PolarHBondContact NH1-OD1 3.32Å; R1400-D1540 IonicContact NH1-OD2 3.44Å; R1400-D1540 PolarHBondContact NH1-OD2 3.07Å; R1400-D1540 IonicContact NH2-OD1 2.7Å; R1400-D1540 PolarHBondContact NH2-OD1 3.26Å
1401F85.8Confident88Confident8 Ų813.8 Ų13.84%0.0356%0.064CC..  trans-64.1145.5-176.4-163.6-102.8000111.8M1398 N1403 I1406 S1407M1398-F1401 HydrophobicContact CE-CB 4.29Å; M1398-F1401 HydrophobicContact CE-CD2 3.84Å; M1398-F1401 HydrophobicContact CE-CE2 4.4Å; M1398-F1401 HydrophobicContact CE-CG 4.03Å; M1398-F1401 WeakPolarHBondContact O-CB 3.38Å; M1398-F1401 PolarHBondContact O-N 3.3Å; M1398-F1401 HydrophobicContact SD-CD2 4.4Å; F1401-N1403 VanDerWaalsContact C-N 3.32Å; F1401-N1403 HydrophobicContact CD1-CB 3.78Å; F1401-N1403 HydrophobicContact CE1-CB 3.76Å; F1401-N1403 PolarHBondContact O-N 3.03Å; F1401-I1406 HydrophobicContact CB-CG2 4.42Å; F1401-I1406 HydrophobicContact CD1-CB 4.05Å; F1401-I1406 HydrophobicContact CD1-CD1 3.75Å; F1401-I1406 HydrophobicContact CD1-CG1 4.46Å; F1401-I1406 HydrophobicContact CD1-CG2 4.21Å; F1401-I1406 HydrophobicContact CE1-CD1 3.63Å; F1401-I1406 HydrophobicContact CG-CG2 4.4Å; F1401-S1407 PolarHBondContact O-OG 3.34Å
1402K78.2Confident87.9Confident116 Ų11615.5 Ų15.550%0.5047%0.071SC..SBendtrans-67.1-25.9-176.3-83.3178.9176.8169.80114.9R1404 F1558 N1559 A1560K1402-R1404 PolarHBondContact O-N 3.27Å; K1402-F1558 PolarHBondContact N-O 3.02Å; K1402-N1559 WeakPolarHBondContact CD-O 3.48Å; K1402-N1559 WeakPolarHBondContact CE-O 3.43Å; K1402-N1559 VanDerWaalsContact CE-OD1 3.24Å; K1402-N1559 WeakPolarHBondContact CE-OD1 3.26Å; K1402-N1559 PolarHBondContact NZ-O 3.41Å; K1402-N1559 PolarHBondContact NZ-OD1 3.37Å; K1402-A1560 WeakPolarHBondContact CD-O 3.46Å
1403N82.6Confident87.9Confident33 Ų3315.4 Ų15.418%0.1767%0.071CC..SBendtrans-87.3100.5171.5-178-5.6000109.6F1401 A1405 I1406 S1407 S1563F1401-N1403 VanDerWaalsContact C-N 3.32Å; F1401-N1403 HydrophobicContact CD1-CB 3.78Å; F1401-N1403 HydrophobicContact CE1-CB 3.76Å; F1401-N1403 PolarHBondContact O-N 3.03Å; N1403-A1405 PolarHBondContact O-N 3.4Å; N1403-A1405 WeakPolarHBondContact OD1-CB 3.32Å; N1403-A1405 PolarHBondContact OD1-N 2.75Å; N1403-I1406 HydrophobicContact CB-CD1 4.18Å; N1403-I1406 PolarHBondContact O-N 2.76Å; N1403-S1407 PolarHBondContact O-N 3.45Å; N1403-S1407 PolarHBondContact O-OG 3.4Å; N1403-S1407 VanDerWaalsContact O-OG 3.11Å; N1403-S1563 PolarHBondContact ND2-OG 3.14Å
1404R84.8Confident88.1Confident51 Ų5115.1 Ų15.119%0.1927%0.07CC..Hα-helixtrans-47.4-29.1-178.4-65.9-62.1-159.4-165.23.2114.5K1402 I1406 S1407 I1408 D1459K1402-R1404 PolarHBondContact O-N 3.27Å; R1404-I1406 VanDerWaalsContact C-N 3.34Å; R1404-I1406 PolarHBondContact O-N 3.43Å; R1404-S1407 PolarHBondContact O-N 2.99Å; R1404-I1408 VanDerWaalsContact O-CG1 3.27Å; R1404-I1408 WeakPolarHBondContact O-CG1 3.26Å; R1404-I1408 PolarHBondContact O-N 3.07Å; R1404-D1459 IonicContact CZ-OD1 3.59Å; R1404-D1459 VanDerWaalsContact CZ-OD1 3.22Å; R1404-D1459 IonicContact NE-OD1 3.38Å; R1404-D1459 PolarHBondContact NE-OD1 3.38Å; R1404-D1459 IonicContact NH2-OD1 2.74Å; R1404-D1459 PolarHBondContact NH2-OD1 2.79Å
1405A78.1Confident88.1Confident11 Ų1116.2 Ų16.29%0.0918%0.076CC..Hα-helixtrans-57.5-47.517700000112.6N1403 S1407 V1409 W1575 I1576N1403-A1405 PolarHBondContact O-N 3.4Å; N1403-A1405 WeakPolarHBondContact OD1-CB 3.32Å; N1403-A1405 PolarHBondContact OD1-N 2.75Å; A1405-S1407 VanDerWaalsContact C-N 3.34Å; A1405-V1409 WeakPolarHBondContact O-CG2 3.39Å; A1405-V1409 PolarHBondContact O-N 2.69Å; A1405-W1575 VanDerWaalsContact CA-CZ3 3.45Å; A1405-W1575 HydrophobicContact CB-CE3 4.12Å; A1405-W1575 HydrophobicContact CB-CH2 4.04Å; A1405-W1575 HydrophobicContact CB-CZ3 3.34Å; A1405-I1576 HydrophobicContact CB-CD1 4.3Å
1406I86Confident87.9Confident1 Ų116.9 Ų16.91%0.0058%0.079CC..Hα-helixtrans-70.7-37.7-179.5-62.8169.7000109.6R1350 I1354 M1398 F1401 N1403 R1404 V1409 A1410R1350-I1406 HydrophobicContact CB-CD1 4.08Å; R1350-I1406 HydrophobicContact CB-CG1 4.48Å; R1350-I1406 HydrophobicContact CB-CG2 4.4Å; I1354-I1406 HydrophobicContact CD1-CG2 3.46Å; I1354-I1406 VanDerWaalsContact CD1-CG2 3.46Å; M1398-I1406 HydrophobicContact CE-CG2 3.6Å; F1401-I1406 HydrophobicContact CB-CG2 4.42Å; F1401-I1406 HydrophobicContact CD1-CB 4.05Å; F1401-I1406 HydrophobicContact CD1-CD1 3.75Å; F1401-I1406 HydrophobicContact CD1-CG1 4.46Å; F1401-I1406 HydrophobicContact CD1-CG2 4.21Å; F1401-I1406 HydrophobicContact CE1-CD1 3.63Å; F1401-I1406 HydrophobicContact CG-CG2 4.4Å; N1403-I1406 HydrophobicContact CB-CD1 4.18Å; N1403-I1406 PolarHBondContact O-N 2.76Å; R1404-I1406 VanDerWaalsContact C-N 3.34Å; R1404-I1406 PolarHBondContact O-N 3.43Å; I1406-V1409 PolarHBondContact O-N 3.22Å; I1406-A1410 WeakPolarHBondContact O-CB 3.33Å; I1406-A1410 PolarHBondContact O-N 3.08Å
1407S89.5Confident87.9Confident0 Ų017 Ų170%08%0.08CC..Hα-helixtrans-66.9-39.9179.5-31.90000112.6M1399 F1401 N1403 R1404 A1405 A1410 V1411 F1462M1399-S1407 WeakPolarHBondContact O-CB 3.41Å; F1401-S1407 PolarHBondContact O-OG 3.34Å; N1403-S1407 PolarHBondContact O-N 3.45Å; N1403-S1407 PolarHBondContact O-OG 3.4Å; N1403-S1407 VanDerWaalsContact O-OG 3.11Å; R1404-S1407 PolarHBondContact O-N 2.99Å; A1405-S1407 VanDerWaalsContact C-N 3.34Å; S1407-A1410 PolarHBondContact O-N 3Å; S1407-V1411 VanDerWaalsContact O-CG2 3.27Å; S1407-V1411 WeakPolarHBondContact O-CG2 3.49Å; S1407-V1411 PolarHBondContact O-N 3.43Å; S1407-F1462 VanDerWaalsContact CB-CE2 3.46Å
1408I87.3Confident88Confident0 Ų016.9 Ų16.90%08%0.079CC..Hα-helixtrans-60.7-49.8172.2-71.2162.8000110R1404 A1410 V1411 E1412 Q1461 F1462 W1575R1404-I1408 VanDerWaalsContact O-CG1 3.27Å; R1404-I1408 WeakPolarHBondContact O-CG1 3.26Å; R1404-I1408 PolarHBondContact O-N 3.07Å; I1408-A1410 VanDerWaalsContact C-N 3.34Å; I1408-A1410 PolarHBondContact O-N 3.26Å; I1408-V1411 PolarHBondContact O-N 3.32Å; I1408-E1412 HydrophobicContact CG2-CG 4.39Å; I1408-E1412 WeakPolarHBondContact CG2-OE1 3.31Å; I1408-E1412 WeakPolarHBondContact O-CG 3.47Å; I1408-E1412 PolarHBondContact O-N 3.46Å; I1408-Q1461 HydrophobicContact CD1-CB 4.23Å; I1408-Q1461 HydrophobicContact CD1-CG 4.12Å; I1408-F1462 HydrophobicContact CD1-CB 4.28Å; I1408-F1462 HydrophobicContact CG1-CB 3.84Å; I1408-F1462 HydrophobicContact CG1-CD2 4.02Å; I1408-F1462 HydrophobicContact CG1-CG 4.44Å; I1408-W1575 HydrophobicContact CB-CH2 4.25Å; I1408-W1575 HydrophobicContact CD1-CH2 4.19Å; I1408-W1575 HydrophobicContact CG2-CH2 4.27Å; I1408-W1575 HydrophobicContact CG2-CZ2 4.35Å
1409V86.7Confident87.8Confident21 Ų2118.7 Ų18.713%0.1279%0.088CC..Hα-helixtrans-60.5-42.7178.7173.70000111.3C1351 I1354 A1405 I1406 V1411 E1412 M1413 W1575C1351-V1409 HydrophobicContact CB-CG1 4.28Å; C1351-V1409 HydrophobicContact CB-CG2 4.39Å; I1354-V1409 HydrophobicContact CG2-CG1 4.1Å; A1405-V1409 WeakPolarHBondContact O-CG2 3.39Å; A1405-V1409 PolarHBondContact O-N 2.69Å; I1406-V1409 PolarHBondContact O-N 3.22Å; V1409-V1411 PolarHBondContact O-N 3.2Å; V1409-E1412 PolarHBondContact O-N 2.86Å; V1409-M1413 HydrophobicContact CG1-CG 4.39Å; V1409-M1413 WeakPolarHBondContact O-CB 3.48Å; V1409-M1413 VanDerWaalsContact O-CG 3.27Å; V1409-M1413 WeakPolarHBondContact O-CG 3.32Å; V1409-M1413 PolarHBondContact O-N 3.21Å; V1409-W1575 HydrophobicContact CG2-CZ2 4.44Å
1410A91.7Very high87.8Confident0 Ų019.6 Ų19.60%09%0.091CC..Hα-helixtrans-60.1-43.6175.300000112.4I1354 M1398 M1399 I1406 S1407 I1408 M1413 I1414I1354-A1410 HydrophobicContact CD1-CB 4.46Å; I1354-A1410 HydrophobicContact CG2-CB 4.3Å; M1398-A1410 HydrophobicContact CB-CB 3.89Å; M1399-A1410 HydrophobicContact CG-CB 4.07Å; I1406-A1410 WeakPolarHBondContact O-CB 3.33Å; I1406-A1410 PolarHBondContact O-N 3.08Å; S1407-A1410 PolarHBondContact O-N 3Å; I1408-A1410 VanDerWaalsContact C-N 3.34Å; I1408-A1410 PolarHBondContact O-N 3.26Å; A1410-M1413 PolarHBondContact O-N 3.42Å; A1410-I1414 WeakPolarHBondContact O-CG1 3.4Å; A1410-I1414 PolarHBondContact O-N 3.39Å
1411V92.5Very high87.9Confident0 Ų017.9 Ų17.90%09%0.085CC..Hα-helixtrans-66.6-43.4177172.70000111.6M1399 S1407 I1408 V1409 M1413 I1414 N1415 F1462 S1465 L1466 S1469M1399-V1411 HydrophobicContact CB-CG2 3.86Å; M1399-V1411 HydrophobicContact CG-CG2 3.8Å; M1399-V1411 HydrophobicContact SD-CG2 3.91Å; S1407-V1411 VanDerWaalsContact O-CG2 3.27Å; S1407-V1411 WeakPolarHBondContact O-CG2 3.49Å; S1407-V1411 PolarHBondContact O-N 3.43Å; I1408-V1411 PolarHBondContact O-N 3.32Å; V1409-V1411 PolarHBondContact O-N 3.2Å; V1411-M1413 VanDerWaalsContact C-N 3.28Å; V1411-M1413 PolarHBondContact O-N 3.02Å; V1411-I1414 PolarHBondContact O-N 3.34Å; V1411-N1415 WeakPolarHBondContact O-CB 3.24Å; V1411-N1415 PolarHBondContact O-N 2.98Å; V1411-F1462 HydrophobicContact CG2-CE2 4.06Å; V1411-S1465 VanDerWaalsContact CG1-C 3.49Å; V1411-S1465 WeakPolarHBondContact CG1-O 3.45Å; V1411-L1466 HydrophobicContact CG1-CD2 4.12Å; V1411-L1466 HydrophobicContact CG1-CG 4.38Å; V1411-L1466 HydrophobicContact CG2-CD2 3.6Å; V1411-L1466 HydrophobicContact CG2-CG 4.18Å; V1411-S1469 VanDerWaalsContact CG1-OG 3.29Å; V1411-S1469 WeakPolarHBondContact CG1-OG 3.28Å
1412E89.1Confident87.7Confident35 Ų3523 Ų2316%0.16411%0.109CC..Hα-helixtrans-61.8-35174.7-73.4179.1-169.700112.3I1408 V1409 N1415 T1416I1408-E1412 HydrophobicContact CG2-CG 4.39Å; I1408-E1412 WeakPolarHBondContact CG2-OE1 3.31Å; I1408-E1412 WeakPolarHBondContact O-CG 3.47Å; I1408-E1412 PolarHBondContact O-N 3.46Å; V1409-E1412 PolarHBondContact O-N 2.86Å; E1412-N1415 PolarHBondContact O-N 2.68Å; E1412-T1416 PolarHBondContact O-N 3.23Å; E1412-T1416 PolarHBondContact O-OG1 3.49Å
1413M91.9Very high88.1Confident1 Ų118.1 Ų18.11%0.0059%0.088CC..Hα-helixtrans-72.5-39.8175.2-72.2-47.198.300112.6I1354 T1355 S1358 V1409 A1410 V1411 N1415 T1416 L1417 P2156I1354-M1413 HydrophobicContact CG2-CB 4.42Å; I1354-M1413 HydrophobicContact CG2-CG 4.06Å; T1355-M1413 HydrophobicContact CG2-SD 4.02Å; S1358-M1413 WeakPolarHBondContact OG-CG 3.47Å; S1358-M1413 PolarHBondContact OG-SD 3.06Å; V1409-M1413 HydrophobicContact CG1-CG 4.39Å; V1409-M1413 WeakPolarHBondContact O-CB 3.48Å; V1409-M1413 VanDerWaalsContact O-CG 3.27Å; V1409-M1413 WeakPolarHBondContact O-CG 3.32Å; V1409-M1413 PolarHBondContact O-N 3.21Å; A1410-M1413 PolarHBondContact O-N 3.42Å; V1411-M1413 VanDerWaalsContact C-N 3.28Å; V1411-M1413 PolarHBondContact O-N 3.02Å; M1413-N1415 VanDerWaalsContact C-N 3.31Å; M1413-N1415 PolarHBondContact O-N 3.12Å; M1413-T1416 WeakPolarHBondContact O-CB 3.44Å; M1413-T1416 PolarHBondContact O-N 3.07Å; M1413-L1417 PolarHBondContact O-N 2.98Å; M1413-L1417 VanDerWaalsContact O-N 3.12Å; M1413-P2156 HydrophobicContact CE-CB 4.29Å; M1413-P2156 HydrophobicContact SD-CB 3.9Å
1414I93.9Very high88.4Confident0 Ų016.7 Ų16.70%08%0.08CC..Hα-helixtrans-64-36.4171.1-71.9-66.5000111.2L1395 L1396 M1399 A1410 V1411 L1417 V1435 L1439 W1473L1395-I1414 HydrophobicContact CB-CD1 3.83Å; L1395-I1414 HydrophobicContact CB-CG1 4.4Å; L1396-I1414 HydrophobicContact CD2-CD1 3.64Å; L1396-I1414 HydrophobicContact CD2-CG1 4.07Å; L1396-I1414 HydrophobicContact CD2-CG2 4.34Å; L1396-I1414 HydrophobicContact CG-CD1 4.05Å; M1399-I1414 HydrophobicContact CG-CG1 4.35Å; M1399-I1414 HydrophobicContact SD-CB 4.16Å; M1399-I1414 HydrophobicContact SD-CG1 3.86Å; M1399-I1414 HydrophobicContact SD-CG2 4.18Å; A1410-I1414 WeakPolarHBondContact O-CG1 3.4Å; A1410-I1414 PolarHBondContact O-N 3.39Å; V1411-I1414 PolarHBondContact O-N 3.34Å; I1414-L1417 HydrophobicContact CD1-CD1 4.33Å; I1414-L1417 PolarHBondContact O-N 3.17Å; I1414-V1435 HydrophobicContact CG2-CG1 3.62Å; I1414-L1439 HydrophobicContact CG2-CD1 4.15Å; I1414-L1439 HydrophobicContact CG2-CD2 4.3Å; I1414-L1439 HydrophobicContact CG2-CG 4.39Å; I1414-W1473 WeakPolarHBondContact O-CZ2 3.31Å; I1414-W1473 PolarHBondContact O-NE1 2.87Å
1415N92Very high88.4Confident25 Ų2515.8 Ų15.813%0.1348%0.079CC..Hα-helixtrans-66.4-36.7172.5-168.955.2000112.3V1411 E1412 M1413 L1417 A1418 E1472V1411-N1415 WeakPolarHBondContact O-CB 3.24Å; V1411-N1415 PolarHBondContact O-N 2.98Å; E1412-N1415 PolarHBondContact O-N 2.68Å; M1413-N1415 VanDerWaalsContact C-N 3.31Å; M1413-N1415 PolarHBondContact O-N 3.12Å; N1415-L1417 VanDerWaalsContact C-N 3.3Å; N1415-L1417 PolarHBondContact O-N 2.81Å; N1415-A1418 WeakPolarHBondContact O-CB 3.23Å; N1415-A1418 PolarHBondContact O-N 3.11Å; N1415-A1418 VanDerWaalsContact O-N 3.12Å; N1415-E1472 VanDerWaalsContact OD1-CB 3.28Å; N1415-E1472 WeakPolarHBondContact OD1-CB 3.34Å; N1415-E1472 WeakPolarHBondContact OD1-CG 3.48Å
1416T88.1Confident88.4Confident13 Ų1320.3 Ų20.38%0.0810%0.095CC..Hα-helixtrans-63.2-36.3175.3-58.40000111.6E1412 M1413 A1418 E1419 P2156 A2174E1412-T1416 PolarHBondContact O-N 3.23Å; E1412-T1416 PolarHBondContact O-OG1 3.49Å; M1413-T1416 WeakPolarHBondContact O-CB 3.44Å; M1413-T1416 PolarHBondContact O-N 3.07Å; T1416-A1418 PolarHBondContact O-N 3.21Å; T1416-E1419 PolarHBondContact O-N 3.39Å; T1416-P2156 HydrophobicContact CG2-CB 4.39Å; T1416-P2156 HydrophobicContact CG2-CG 3.97Å; T1416-A2174 HydrophobicContact CG2-CB 4.04Å
1417L91.5Very high88.1Confident2 Ų223.1 Ų23.11%0.0111%0.105CC..Hα-helixtrans-67.6-18.3174.9-71172.2000113.7C1361 V1362 I1392 L1395 M1413 I1414 N1415 E1419 Y1420 W1473C1361-L1417 HydrophobicContact CB-CD1 4.36Å; C1361-L1417 HydrophobicContact CB-CD2 3.81Å; V1362-L1417 HydrophobicContact CG2-CD2 3.7Å; I1392-L1417 HydrophobicContact CD1-CD1 3.71Å; L1395-L1417 HydrophobicContact CD1-CD1 4.17Å; M1413-L1417 PolarHBondContact O-N 2.98Å; M1413-L1417 VanDerWaalsContact O-N 3.12Å; I1414-L1417 HydrophobicContact CD1-CD1 4.33Å; I1414-L1417 PolarHBondContact O-N 3.17Å; N1415-L1417 VanDerWaalsContact C-N 3.3Å; N1415-L1417 PolarHBondContact O-N 2.81Å; L1417-E1419 VanDerWaalsContact C-N 3.26Å; L1417-E1419 PolarHBondContact O-N 3.08Å; L1417-Y1420 PolarHBondContact O-N 3.42Å; L1417-W1473 HydrophobicContact CB-CZ2 4.07Å
1418A91.2Very high87.8Confident0 Ų025.5 Ų25.50%012%0.118CC..G310 helixtrans-60.8-34177.700000112.1N1415 T1416 Y1420 C1421 E1472 W1473 R1476N1415-A1418 WeakPolarHBondContact O-CB 3.23Å; N1415-A1418 PolarHBondContact O-N 3.11Å; N1415-A1418 VanDerWaalsContact O-N 3.12Å; T1416-A1418 PolarHBondContact O-N 3.21Å; A1418-Y1420 PolarHBondContact O-N 2.82Å; A1418-Y1420 VanDerWaalsContact O-N 3.1Å; A1418-C1421 WeakPolarHBondContact O-CB 3.24Å; A1418-C1421 PolarHBondContact O-N 3.35Å; A1418-E1472 HydrophobicContact CB-CB 4.48Å; A1418-W1473 HydrophobicContact CB-CD2 4.06Å; A1418-W1473 HydrophobicContact CB-CG 4.24Å; A1418-W1473 HydrophobicContact CB-CZ2 4.1Å; A1418-R1476 WeakPolarHBondContact O-CD 3.28Å; A1418-R1476 PolarHBondContact O-NE 2.94Å
1419E86.3Confident87.4Confident38 Ų3827.7 Ų27.718%0.17814%0.136CC..G310 helixtrans-56.4-30.7176.6-161.4177.995.200112T1416 L1417 H1422 Y2073 R2173T1416-E1419 PolarHBondContact O-N 3.39Å; L1417-E1419 VanDerWaalsContact C-N 3.26Å; L1417-E1419 PolarHBondContact O-N 3.08Å; E1419-H1422 PolarHBondContact O-ND1 3.49Å; E1419-Y2073 PolarHBondContact OE2-OH 2.88Å; E1419-R2173 IonicContact OE1-CZ 3.14Å; E1419-R2173 IonicContact OE1-NE 3.33Å; E1419-R2173 IonicContact OE1-NH2 2.75Å; E1419-R2173 PolarHBondContact OE1-NH2 3.28Å; E1419-R2173 IonicContact OE2-CZ 2.78Å; E1419-R2173 IonicContact OE2-NE 2.92Å; E1419-R2173 PolarHBondContact OE2-NE 3.47Å; E1419-R2173 IonicContact OE2-NH2 2.86Å; E1419-R2173 PolarHBondContact OE2-NH2 3.15Å
1420Y89Confident87.2Confident19 Ų1933.5 Ų33.58%0.07516%0.159CC..G310 helixtrans-97.513.7180-51.6-88.9000112.9V1362 V1366 L1417 A1418 H1422 L1423 L1424V1362-Y1420 HydrophobicContact CB-CE2 4.42Å; V1362-Y1420 HydrophobicContact CG1-CD1 4.37Å; V1362-Y1420 HydrophobicContact CG1-CD2 4.39Å; V1362-Y1420 HydrophobicContact CG1-CE1 3.78Å; V1362-Y1420 HydrophobicContact CG1-CE2 3.84Å; V1362-Y1420 HydrophobicContact CG2-CD2 3.83Å; V1362-Y1420 HydrophobicContact CG2-CE2 3.68Å; V1366-Y1420 HydrophobicContact CG2-CD1 3.93Å; V1366-Y1420 HydrophobicContact CG2-CE1 3.75Å; L1417-Y1420 PolarHBondContact O-N 3.42Å; A1418-Y1420 PolarHBondContact O-N 2.82Å; A1418-Y1420 VanDerWaalsContact O-N 3.1Å; Y1420-H1422 PolarHBondContact O-N 3.49Å; Y1420-H1422 VanDerWaalsContact O-N 3.17Å; Y1420-L1423 HydrophobicContact CD1-CD1 4.15Å; Y1420-L1423 WeakPolarHBondContact O-CB 3.45Å; Y1420-L1423 PolarHBondContact O-N 2.95Å; Y1420-L1424 PolarHBondContact O-N 3.32Å; Y1420-L1424 VanDerWaalsContact O-N 3.07Å
1421C89Confident87Confident1 Ų133.7 Ų33.71%0.00716%0.161CC..Hα-helixtrans-53.4-36.8179.5-177.80000112.6A1418 L1423 L1424 L1425 W1473 R1476A1418-C1421 WeakPolarHBondContact O-CB 3.24Å; A1418-C1421 PolarHBondContact O-N 3.35Å; C1421-L1423 PolarHBondContact O-N 2.92Å; C1421-L1424 WeakPolarHBondContact O-CB 3.36Å; C1421-L1424 PolarHBondContact O-N 3.12Å; C1421-L1425 WeakPolarHBondContact O-CB 3.43Å; C1421-L1425 VanDerWaalsContact O-CG 3.27Å; C1421-L1425 WeakPolarHBondContact O-CG 3.37Å; C1421-L1425 PolarHBondContact O-N 2.94Å; C1421-W1473 HydrophobicContact CB-CE3 4.49Å; C1421-W1473 HydrophobicContact CB-CZ3 4.08Å; C1421-R1476 HydrophobicContact CB-CB 4.01Å
1422H83Confident86.9Confident117 Ų11733.7 Ų33.754%0.54216%0.161SC..Hα-helixtrans-61.9-37.4175.666.2-80.8000113.4E1419 Y1420 Y1426E1419-H1422 PolarHBondContact O-ND1 3.49Å; Y1420-H1422 PolarHBondContact O-N 3.49Å; Y1420-H1422 VanDerWaalsContact O-N 3.17Å; H1422-Y1426 WeakPolarHBondContact O-CB 3.46Å; H1422-Y1426 PolarHBondContact O-N 3.08Å
1423L86.6Confident86.8Confident12 Ų1232.9 Ų32.96%0.06316%0.158CC..Hα-helixtrans-73.6-34174.4-55.5-177.2000111.6L1365 V1366 F1369 Y1420 C1421 Y1426 R1427L1365-L1423 HydrophobicContact CB-CB 4.23Å; L1365-L1423 HydrophobicContact CB-CD1 4.06Å; L1365-L1423 HydrophobicContact CD2-CB 4.09Å; V1366-L1423 HydrophobicContact CG2-CD1 4.13Å; F1369-L1423 HydrophobicContact CB-CD2 3.98Å; F1369-L1423 HydrophobicContact CD1-CD2 4.18Å; F1369-L1423 HydrophobicContact CD2-CD2 3.78Å; F1369-L1423 HydrophobicContact CE2-CD2 4.3Å; F1369-L1423 HydrophobicContact CG-CD2 3.71Å; Y1420-L1423 HydrophobicContact CD1-CD1 4.15Å; Y1420-L1423 WeakPolarHBondContact O-CB 3.45Å; Y1420-L1423 PolarHBondContact O-N 2.95Å; C1421-L1423 PolarHBondContact O-N 2.92Å; L1423-Y1426 PolarHBondContact O-N 3.1Å; L1423-R1427 WeakPolarHBondContact O-CB 3.25Å; L1423-R1427 PolarHBondContact O-N 2.85Å
1424L87.4Confident86.7Confident3 Ų333.3 Ų33.32%0.01616%0.161CC..Hα-helixtrans-67.1-45.2174.3-76.1162.5000111.8L1365 F1388 Y1420 C1421 Y1426 R1427 D1428 L1431 P1432 W1473L1365-L1424 HydrophobicContact CD1-CD1 4.24Å; L1365-L1424 HydrophobicContact CD1-CD2 3.93Å; L1365-L1424 HydrophobicContact CD1-CG 3.75Å; L1365-L1424 HydrophobicContact CD2-CD2 3.91Å; L1365-L1424 HydrophobicContact CD2-CG 4.04Å; L1365-L1424 HydrophobicContact CG-CD2 4.5Å; F1388-L1424 HydrophobicContact CE1-CD2 4.17Å; F1388-L1424 HydrophobicContact CZ-CD2 3.85Å; Y1420-L1424 PolarHBondContact O-N 3.32Å; Y1420-L1424 VanDerWaalsContact O-N 3.07Å; C1421-L1424 WeakPolarHBondContact O-CB 3.36Å; C1421-L1424 PolarHBondContact O-N 3.12Å; L1424-Y1426 VanDerWaalsContact C-N 3.27Å; L1424-Y1426 PolarHBondContact O-N 3.42Å; L1424-R1427 PolarHBondContact O-N 2.74Å; L1424-R1427 VanDerWaalsContact O-N 3.09Å; L1424-D1428 CarbonylContact O-C 3.26Å; L1424-D1428 PolarHBondContact O-N 2.73Å; L1424-D1428 VanDerWaalsContact O-O 3.13Å; L1424-L1431 HydrophobicContact CD2-CD2 3.81Å; L1424-L1431 HydrophobicContact CD2-CG 4.46Å; L1424-P1432 HydrophobicContact CB-CG 4.05Å; L1424-W1473 HydrophobicContact CD1-CH2 3.62Å; L1424-W1473 HydrophobicContact CD1-CZ3 4.26Å
1425L84.9Confident86.7Confident32 Ų3233.5 Ų33.517%0.16816%0.162CC..Hα-helixtrans-58-39.5174.7-73.8164.7000112.1C1421 A1429 P1432 P1478C1421-L1425 WeakPolarHBondContact O-CB 3.43Å; C1421-L1425 VanDerWaalsContact O-CG 3.27Å; C1421-L1425 WeakPolarHBondContact O-CG 3.37Å; C1421-L1425 PolarHBondContact O-N 2.94Å; L1425-A1429 PolarHBondContact O-N 3.42Å; L1425-P1432 HydrophobicContact CD2-CB 4.29Å; L1425-P1432 HydrophobicContact CD2-CG 3.79Å; L1425-P1432 HydrophobicContact CG-CG 3.9Å; L1425-P1478 HydrophobicContact CD1-CG 4.21Å
1426Y79.6Confident86.7Confident107 Ų10732.3 Ų32.342%0.4216%0.156SC..Hα-helixtrans-68.8-32.9175.8175-90.3000112.7E1372 F1381 H1422 L1423 L1424E1372-Y1426 WeakPolarHBondContact OE2-CE1 3.38Å; E1372-Y1426 PolarHBondContact OE2-OH 2.97Å; F1381-Y1426 HydrophobicContact CE1-CE1 4.26Å; F1381-Y1426 AromaticContact CE1-CZ 4Å; H1422-Y1426 WeakPolarHBondContact O-CB 3.46Å; H1422-Y1426 PolarHBondContact O-N 3.08Å; L1423-Y1426 PolarHBondContact O-N 3.1Å; L1424-Y1426 VanDerWaalsContact C-N 3.27Å; L1424-Y1426 PolarHBondContact O-N 3.42Å
1427R79.4Confident86.8Confident60 Ų6032.8 Ų32.823%0.22616%0.157CC..Hα-helixtrans-84-41.9179.2-161.3-179-161.6174.512.5113.7E1364 F1388 L1423 L1424E1364-R1427 VanDerWaalsContact CG-NH1 3.29Å; E1364-R1427 IonicContact OE1-CZ 3.18Å; E1364-R1427 IonicContact OE1-NH1 2.99Å; E1364-R1427 IonicContact OE1-NH2 3.35Å; E1364-R1427 PolarHBondContact OE1-NH2 3.01Å; F1388-R1427 VanDerWaalsContact CD1-NH1 3.29Å; F1388-R1427 VanDerWaalsContact CD2-NH1 3.33Å; L1423-R1427 WeakPolarHBondContact O-CB 3.25Å; L1423-R1427 PolarHBondContact O-N 2.85Å; L1424-R1427 PolarHBondContact O-N 2.74Å; L1424-R1427 VanDerWaalsContact O-N 3.09Å
1428D81.8Confident86.8Confident50 Ų5032.7 Ų32.727%0.26716%0.157SC..  trans-159.3109.5171.6177.97.1000110.6M1384 L1424 K1430 L1431 P1432M1384-D1428 HydrophobicContact CE-CB 3.43Å; M1384-D1428 VanDerWaalsContact CE-CB 3.43Å; L1424-D1428 CarbonylContact O-C 3.26Å; L1424-D1428 PolarHBondContact O-N 2.73Å; L1424-D1428 VanDerWaalsContact O-O 3.13Å; D1428-K1430 PolarHBondContact O-N 3.03Å; D1428-K1430 VanDerWaalsContact O-N 3.1Å; D1428-K1430 WeakPolarHBondContact OD1-CB 3.41Å; D1428-K1430 PolarHBondContact OD1-N 3.46Å; D1428-L1431 HydrophobicContact CB-CB 4.19Å; D1428-L1431 PolarHBondContact O-N 3.14Å; D1428-L1431 VanDerWaalsContact O-N 3.08Å; D1428-P1432 VanDerWaalsContact O-CD 3.25Å; D1428-P1432 WeakPolarHBondContact O-CD 2.99Å
1429A80.1Confident86.9Confident45 Ų4532.7 Ų32.737%0.37216%0.157SC..THydrogen-bonded Turntrans-61.1-16.5178.400000114.7L1425L1425-A1429 PolarHBondContact O-N 3.42Å
1430K82.6Confident87.2Confident143 Ų14330.9 Ų30.962%0.62215%0.149SC*.THydrogen-bonded Turntrans-82-25.4175.2-64.1-174.2176.5-172.80113.3D1428 S1433 L1434D1428-K1430 PolarHBondContact O-N 3.03Å; D1428-K1430 VanDerWaalsContact O-N 3.1Å; D1428-K1430 WeakPolarHBondContact OD1-CB 3.41Å; D1428-K1430 PolarHBondContact OD1-N 3.46Å; K1430-S1433 PolarHBondContact O-N 3Å; K1430-L1434 PolarHBondContact O-N 2.73Å
1431L86.5Confident87.3Confident5 Ų532.1 Ų32.13%0.02615%0.153CC..Hα-helixtrans-68.4-41.6-169.8-171.757.4000113.3M1384 F1388 L1389 I1392 L1424 D1428 S1433 L1434 V1435M1384-L1431 HydrophobicContact CE-CD2 4.34Å; F1388-L1431 HydrophobicContact CE1-CD2 4.06Å; L1389-L1431 HydrophobicContact CD1-CD1 4.17Å; I1392-L1431 HydrophobicContact CG2-CD1 3.91Å; L1424-L1431 HydrophobicContact CD2-CD2 3.81Å; L1424-L1431 HydrophobicContact CD2-CG 4.46Å; D1428-L1431 HydrophobicContact CB-CB 4.19Å; D1428-L1431 PolarHBondContact O-N 3.14Å; D1428-L1431 VanDerWaalsContact O-N 3.08Å; L1431-S1433 VanDerWaalsContact C-N 3.34Å; L1431-S1433 PolarHBondContact O-N 3.15Å; L1431-L1434 HydrophobicContact CD1-CD2 4.21Å; L1431-L1434 WeakPolarHBondContact O-CB 3.48Å; L1431-L1434 PolarHBondContact O-N 2.67Å; L1431-V1435 WeakPolarHBondContact O-CG2 3.4Å; L1431-V1435 PolarHBondContact O-N 2.92Å
1432P90.7Very high87.4Confident0 Ų032.1 Ų32.10%015%0.153CC..Hα-helixtrans-59.2-41170.7-27.738.5000113.4L1424 L1425 D1428 L1434 V1435 L1436 W1473 I1477L1424-P1432 HydrophobicContact CB-CG 4.05Å; L1425-P1432 HydrophobicContact CD2-CB 4.29Å; L1425-P1432 HydrophobicContact CD2-CG 3.79Å; L1425-P1432 HydrophobicContact CG-CG 3.9Å; D1428-P1432 VanDerWaalsContact O-CD 3.25Å; D1428-P1432 WeakPolarHBondContact O-CD 2.99Å; P1432-L1434 VanDerWaalsContact C-N 3.34Å; P1432-L1434 PolarHBondContact O-N 3.45Å; P1432-V1435 PolarHBondContact O-N 3.26Å; P1432-L1436 PolarHBondContact O-N 2.87Å; P1432-W1473 HydrophobicContact CB-CE3 4.24Å; P1432-W1473 HydrophobicContact CB-CZ3 3.89Å; P1432-W1473 HydrophobicContact CG-CZ3 4.4Å; P1432-I1477 HydrophobicContact CB-CD1 3.64Å; P1432-I1477 HydrophobicContact CB-CG1 3.79Å
1433S88.3Confident87.9Confident17 Ų1726.5 Ų26.512%0.11913%0.127CC..Hα-helixtrans-64.9-37.8176.4-56.50000112K1430 L1431 L1437K1430-S1433 PolarHBondContact O-N 3Å; L1431-S1433 VanDerWaalsContact C-N 3.34Å; L1431-S1433 PolarHBondContact O-N 3.15Å; S1433-L1437 WeakPolarHBondContact O-CB 3.18Å; S1433-L1437 PolarHBondContact O-N 2.98Å
1434L89.4Confident88Confident11 Ų1127.8 Ų27.86%0.05813%0.132CC..Hα-helixtrans-64.1-42.3173.1179.862.4000112L1396 K1430 L1431 P1432 S1438 P1541 L1542 Y1545L1396-L1434 HydrophobicContact CD1-CG 4.48Å; K1430-L1434 PolarHBondContact O-N 2.73Å; L1431-L1434 HydrophobicContact CD1-CD2 4.21Å; L1431-L1434 WeakPolarHBondContact O-CB 3.48Å; L1431-L1434 PolarHBondContact O-N 2.67Å; P1432-L1434 VanDerWaalsContact C-N 3.34Å; P1432-L1434 PolarHBondContact O-N 3.45Å; L1434-S1438 WeakPolarHBondContact O-CB 3.25Å; L1434-S1438 PolarHBondContact O-N 2.94Å; L1434-S1438 PolarHBondContact O-OG 3.27Å; L1434-P1541 HydrophobicContact CD1-CB 4.14Å; L1434-L1542 HydrophobicContact CD1-CD2 4.25Å; L1434-L1542 HydrophobicContact CG-CD2 4.46Å; L1434-Y1545 HydrophobicContact CD1-CD2 3.85Å; L1434-Y1545 HydrophobicContact CD1-CE2 3.73Å; L1434-Y1545 HydrophobicContact CD2-CD1 3.83Å; L1434-Y1545 HydrophobicContact CD2-CD2 3.85Å; L1434-Y1545 HydrophobicContact CD2-CE1 3.85Å; L1434-Y1545 HydrophobicContact CD2-CE2 3.89Å; L1434-Y1545 HydrophobicContact CD2-CG 3.84Å; L1434-Y1545 HydrophobicContact CG-CE2 4.42Å
1435V92.8Very high88Confident4 Ų429 Ų292%0.02414%0.14CC..Hα-helixtrans-60.4-51.5175.7170.70000110.6I1392 L1396 I1414 L1431 P1432 S1438 L1439 W1473I1392-V1435 HydrophobicContact CG2-CG2 4.4Å; L1396-V1435 HydrophobicContact CD1-CG2 4.04Å; L1396-V1435 HydrophobicContact CD2-CB 4.29Å; L1396-V1435 HydrophobicContact CD2-CG1 4.08Å; L1396-V1435 HydrophobicContact CD2-CG2 4.15Å; I1414-V1435 HydrophobicContact CG2-CG1 3.62Å; L1431-V1435 WeakPolarHBondContact O-CG2 3.4Å; L1431-V1435 PolarHBondContact O-N 2.92Å; P1432-V1435 PolarHBondContact O-N 3.26Å; V1435-S1438 WeakPolarHBondContact O-CB 3.3Å; V1435-S1438 PolarHBondContact O-N 2.93Å; V1435-L1439 HydrophobicContact CG1-CD1 4.13Å; V1435-L1439 WeakPolarHBondContact O-CG 3.22Å; V1435-L1439 PolarHBondContact O-N 2.94Å; V1435-W1473 HydrophobicContact CB-CH2 4.45Å; V1435-W1473 HydrophobicContact CB-CZ2 4.47Å; V1435-W1473 HydrophobicContact CB-CZ3 4.48Å; V1435-W1473 HydrophobicContact CG1-CD2 3.82Å; V1435-W1473 HydrophobicContact CG1-CE3 4.27Å; V1435-W1473 HydrophobicContact CG1-CG 4.33Å; V1435-W1473 HydrophobicContact CG1-CH2 4.17Å; V1435-W1473 HydrophobicContact CG1-CZ2 3.71Å; V1435-W1473 HydrophobicContact CG1-CZ3 4.42Å; V1435-W1473 HydrophobicContact CG2-CH2 4.37Å
1436L91.6Very high88.2Confident0 Ų028.7 Ų28.70%014%0.139CC..Hα-helixtrans-66.1-41.1-177.2-177.951.4000112.4P1432 S1438 L1439 A1440 I1470 W1473 I1477 L1482 L1500 I1504P1432-L1436 PolarHBondContact O-N 2.87Å; L1436-S1438 VanDerWaalsContact C-N 3.32Å; L1436-S1438 PolarHBondContact O-N 2.84Å; L1436-L1439 PolarHBondContact O-N 2.73Å; L1436-A1440 PolarHBondContact O-N 3.06Å; L1436-I1470 HydrophobicContact CD1-CB 4.33Å; L1436-I1470 HydrophobicContact CD1-CG1 4.25Å; L1436-I1470 HydrophobicContact CD1-CG2 4.14Å; L1436-W1473 HydrophobicContact CB-CB 4.43Å; L1436-W1473 HydrophobicContact CD1-CB 4.05Å; L1436-W1473 HydrophobicContact CD2-CB 4.47Å; L1436-I1477 HydrophobicContact CB-CD1 4.23Å; L1436-I1477 HydrophobicContact CD2-CD1 3.8Å; L1436-L1482 HydrophobicContact CD2-CD2 3.9Å; L1436-L1500 HydrophobicContact CB-CD2 4.43Å; L1436-L1500 HydrophobicContact CD2-CD2 4.06Å; L1436-L1500 HydrophobicContact CD2-CG 4.31Å; L1436-L1500 HydrophobicContact CG-CD2 4.4Å; L1436-I1504 HydrophobicContact CD1-CD1 3.92Å; L1436-I1504 HydrophobicContact CD1-CG1 4.47Å; L1436-I1504 HydrophobicContact CD2-CD1 3.58Å; L1436-I1504 HydrophobicContact CG-CD1 3.69Å; L1436-I1504 HydrophobicContact CG-CG1 4.46Å
1437L90.4Very high88.6Confident22 Ų2223.8 Ų23.812%0.11512%0.12CC..Hα-helixtrans-65.9-34.9174.3-167.862.8000111.8S1433 A1440 W1441 F1486 L1500 I1503 F1538 P1541S1433-L1437 WeakPolarHBondContact O-CB 3.18Å; S1433-L1437 PolarHBondContact O-N 2.98Å; L1437-A1440 PolarHBondContact O-N 2.91Å; L1437-W1441 WeakPolarHBondContact O-CB 3.45Å; L1437-W1441 PolarHBondContact O-N 3Å; L1437-F1486 HydrophobicContact CD2-CE1 4.23Å; L1437-F1486 HydrophobicContact CD2-CZ 3.99Å; L1437-L1500 HydrophobicContact CB-CD1 4.15Å; L1437-L1500 HydrophobicContact CD1-CD1 4Å; L1437-I1503 HydrophobicContact CD1-CD1 4.03Å; L1437-I1503 HydrophobicContact CD1-CG2 3.99Å; L1437-F1538 HydrophobicContact CD1-CE2 3.75Å; L1437-F1538 HydrophobicContact CD1-CZ 3.95Å; L1437-F1538 HydrophobicContact CG-CE2 4.31Å; L1437-P1541 HydrophobicContact CB-CB 4.4Å; L1437-P1541 HydrophobicContact CB-CG 4.43Å; L1437-P1541 HydrophobicContact CD2-CB 3.73Å; L1437-P1541 HydrophobicContact CD2-CG 4.42Å; L1437-P1541 HydrophobicContact CG-CB 3.89Å; L1437-P1541 HydrophobicContact CG-CG 4.04Å
1438S91.7Very high88.9Confident0 Ų025.1 Ų25.10%013%0.132CC..Hα-helixtrans-70.4-35.5175.5-61.80000112.9L1434 V1435 L1436 T1442 L1542L1434-S1438 WeakPolarHBondContact O-CB 3.25Å; L1434-S1438 PolarHBondContact O-N 2.94Å; L1434-S1438 PolarHBondContact O-OG 3.27Å; V1435-S1438 WeakPolarHBondContact O-CB 3.3Å; V1435-S1438 PolarHBondContact O-N 2.93Å; L1436-S1438 VanDerWaalsContact C-N 3.32Å; L1436-S1438 PolarHBondContact O-N 2.84Å; S1438-T1442 VanDerWaalsContact O-CB 3.28Å; S1438-T1442 WeakPolarHBondContact O-CB 3.46Å; S1438-T1442 PolarHBondContact O-N 3.08Å; S1438-T1442 PolarHBondContact O-OG1 3.2Å; S1438-L1542 VanDerWaalsContact OG-CD2 3.32Å; S1438-L1542 WeakPolarHBondContact OG-CD2 3.48Å
1439L94.7Very high88.9Confident0 Ų028.8 Ų28.80%015%0.151CC..Hα-helixtrans-63.9-50.5170.6-76166.2000110.8M1399 I1414 V1435 L1436 W1441 T1442 L1443 L1466 I1470 W1473M1399-L1439 HydrophobicContact CE-CD2 3.97Å; M1399-L1439 HydrophobicContact CE-CG 4.22Å; M1399-L1439 HydrophobicContact SD-CD2 3.53Å; M1399-L1439 VanDerWaalsContact SD-CD2 3.53Å; M1399-L1439 HydrophobicContact SD-CG 4.28Å; I1414-L1439 HydrophobicContact CG2-CD1 4.15Å; I1414-L1439 HydrophobicContact CG2-CD2 4.3Å; I1414-L1439 HydrophobicContact CG2-CG 4.39Å; V1435-L1439 HydrophobicContact CG1-CD1 4.13Å; V1435-L1439 WeakPolarHBondContact O-CG 3.22Å; V1435-L1439 PolarHBondContact O-N 2.94Å; L1436-L1439 PolarHBondContact O-N 2.73Å; L1439-W1441 PolarHBondContact O-N 2.97Å; L1439-T1442 PolarHBondContact O-N 3.39Å; L1439-L1443 WeakPolarHBondContact O-CB 3.47Å; L1439-L1443 PolarHBondContact O-N 2.87Å; L1439-L1466 HydrophobicContact CD2-CD2 3.76Å; L1439-I1470 HydrophobicContact CB-CD1 4.33Å; L1439-I1470 HydrophobicContact CB-CG1 3.77Å; L1439-W1473 HydrophobicContact CD1-CG 4.3Å
1440A91.7Very high89.1Confident1 Ų128 Ų281%0.00814%0.141CC..Hα-helixtrans-59.9-43.9178.100000112.4L1436 L1437 L1443 Y1444 F1538L1436-A1440 PolarHBondContact O-N 3.06Å; L1437-A1440 PolarHBondContact O-N 2.91Å; A1440-L1443 PolarHBondContact O-N 3.25Å; A1440-Y1444 WeakPolarHBondContact O-CB 3.16Å; A1440-Y1444 PolarHBondContact O-N 2.94Å; A1440-F1538 HydrophobicContact CB-CZ 4.5Å
1441W90.4Very high89Confident45 Ų4525.9 Ų25.917%0.1714%0.136CC..Hα-helixtrans-63.3-43.1175.2-172.792.3000112.4R1400 L1437 L1439 L1443 Y1444 S1445 F1538 D1540 P1541R1400-W1441 VanDerWaalsContact CZ-CZ3 3.49Å; R1400-W1441 VanDerWaalsContact NH2-CE3 3.26Å; L1437-W1441 WeakPolarHBondContact O-CB 3.45Å; L1437-W1441 PolarHBondContact O-N 3Å; L1439-W1441 PolarHBondContact O-N 2.97Å; W1441-L1443 VanDerWaalsContact C-N 3.34Å; W1441-L1443 PolarHBondContact O-N 3.14Å; W1441-Y1444 PolarHBondContact O-N 3.4Å; W1441-S1445 WeakPolarHBondContact CH2-OG 3.16Å; W1441-S1445 WeakPolarHBondContact O-CB 3.38Å; W1441-S1445 PolarHBondContact O-N 2.81Å; W1441-F1538 HydrophobicContact CB-CE1 3.97Å; W1441-F1538 HydrophobicContact CB-CE2 4.24Å; W1441-F1538 HydrophobicContact CB-CZ 3.66Å; W1441-F1538 AromaticContact CD1-CD2 3.97Å; W1441-F1538 AromaticContact CD1-CE2 3.95Å; W1441-F1538 AromaticContact CD1-CZ 3.99Å; W1441-F1538 HydrophobicContact CG-CE1 4.38Å; W1441-F1538 HydrophobicContact CG-CZ 4.27Å; W1441-F1538 PolarHBondContact NE1-O 3.07Å; W1441-F1538 VanDerWaalsContact NE1-O 3.13Å; W1441-D1540 HydrophobicContact CD2-CB 4.45Å; W1441-D1540 HydrophobicContact CZ2-CB 3.93Å; W1441-P1541 HydrophobicContact CB-CG 4.19Å
1442T92.3Very high88.5Confident0 Ų026.7 Ų26.70%014%0.14CC..Hα-helixtrans-65.4-40.1179.5-57.30000110.8M1399 R1400 S1438 L1439 T1446 F1462 L1466M1399-T1442 HydrophobicContact CB-CG2 4.39Å; R1400-T1442 HydrophobicContact CG-CG2 3.78Å; R1400-T1442 PolarHBondContact NE-OG1 2.85Å; R1400-T1442 VanDerWaalsContact NE-OG1 3.16Å; S1438-T1442 VanDerWaalsContact O-CB 3.28Å; S1438-T1442 WeakPolarHBondContact O-CB 3.46Å; S1438-T1442 PolarHBondContact O-N 3.08Å; S1438-T1442 PolarHBondContact O-OG1 3.2Å; L1439-T1442 PolarHBondContact O-N 3.39Å; T1442-T1446 HydrophobicContact CG2-CG2 4.3Å; T1442-T1446 VanDerWaalsContact O-CB 3.31Å; T1442-T1446 WeakPolarHBondContact O-CB 3.46Å; T1442-T1446 VanDerWaalsContact O-CG2 3.28Å; T1442-T1446 WeakPolarHBondContact O-CG2 3.34Å; T1442-T1446 PolarHBondContact O-N 2.84Å; T1442-T1446 PolarHBondContact O-OG1 3.36Å; T1442-F1462 HydrophobicContact CG2-CZ 4.18Å; T1442-L1466 HydrophobicContact CG2-CD1 4.38Å; T1442-L1466 HydrophobicContact CG2-CD2 4.32Å
1443L92.7Very high87.7Confident0 Ų032.5 Ų32.50%017%0.171CC..Hα-helixtrans-62.4-50.8174.2175.657.8000112L1439 A1440 W1441 W1447 F1463 L1466 I1467 I1470 V1507 I1511L1439-L1443 WeakPolarHBondContact O-CB 3.47Å; L1439-L1443 PolarHBondContact O-N 2.87Å; A1440-L1443 PolarHBondContact O-N 3.25Å; W1441-L1443 VanDerWaalsContact C-N 3.34Å; W1441-L1443 PolarHBondContact O-N 3.14Å; L1443-W1447 WeakPolarHBondContact O-CB 3.4Å; L1443-W1447 PolarHBondContact O-N 2.88Å; L1443-W1447 VanDerWaalsContact O-N 3.13Å; L1443-F1463 HydrophobicContact CD1-CD1 3.62Å; L1443-F1463 HydrophobicContact CD1-CE1 4.2Å; L1443-L1466 HydrophobicContact CB-CD1 4.14Å; L1443-L1466 HydrophobicContact CD1-CB 4.36Å; L1443-L1466 HydrophobicContact CD1-CD1 4.23Å; L1443-I1467 HydrophobicContact CD1-CG1 4.33Å; L1443-I1467 HydrophobicContact CD2-CG1 3.92Å; L1443-I1470 HydrophobicContact CB-CD1 4.2Å; L1443-I1470 HydrophobicContact CD2-CD1 3.43Å; L1443-I1470 VanDerWaalsContact CD2-CD1 3.43Å; L1443-I1470 HydrophobicContact CG-CD1 4.44Å; L1443-V1507 HydrophobicContact CB-CG1 4.49Å; L1443-V1507 HydrophobicContact CD2-CG1 4.13Å; L1443-V1507 HydrophobicContact CG-CG1 4.14Å; L1443-I1511 HydrophobicContact CD1-CD1 3.7Å; L1443-I1511 HydrophobicContact CD2-CD1 3.71Å; L1443-I1511 HydrophobicContact CG-CD1 3.63Å
1444Y90Very high87.2Confident39 Ų3935.2 Ų35.215%0.15319%0.19CC..Hα-helixtrans-57.2-57.5176.4170.8-117000112.1A1440 W1441 T1446 W1447 D1448 F1510 L1533 F1538A1440-Y1444 WeakPolarHBondContact O-CB 3.16Å; A1440-Y1444 PolarHBondContact O-N 2.94Å; W1441-Y1444 PolarHBondContact O-N 3.4Å; Y1444-T1446 VanDerWaalsContact C-N 3.35Å; Y1444-T1446 PolarHBondContact O-N 3.05Å; Y1444-W1447 PolarHBondContact O-N 3.19Å; Y1444-D1448 PolarHBondContact O-N 3.01Å; Y1444-F1510 AromaticContact CD2-CD1 3.68Å; Y1444-F1510 HydrophobicContact CD2-CD1 3.68Å; Y1444-F1510 AromaticContact CD2-CE1 3.64Å; Y1444-F1510 HydrophobicContact CD2-CE1 3.64Å; Y1444-F1510 HydrophobicContact CD2-CG 4.5Å; Y1444-F1510 HydrophobicContact CD2-CZ 4.44Å; Y1444-F1510 AromaticContact CE2-CD1 3.88Å; Y1444-F1510 HydrophobicContact CE2-CD1 3.88Å; Y1444-F1510 AromaticContact CE2-CE1 3.57Å; Y1444-F1510 HydrophobicContact CE2-CE1 3.57Å; Y1444-F1510 HydrophobicContact CE2-CG 4.45Å; Y1444-F1510 AromaticContact CE2-CZ 3.92Å; Y1444-F1510 HydrophobicContact CE2-CZ 3.92Å; Y1444-L1533 HydrophobicContact CD2-CD2 3.7Å; Y1444-L1533 HydrophobicContact CE2-CD2 3.4Å; Y1444-L1533 VanDerWaalsContact CE2-CD2 3.4Å; Y1444-L1533 HydrophobicContact CE2-CG 3.9Å; Y1444-F1538 AromaticContact CD1-CD1 3.7Å; Y1444-F1538 HydrophobicContact CD1-CD1 3.7Å; Y1444-F1538 HydrophobicContact CD1-CE1 4.38Å; Y1444-F1538 HydrophobicContact CE1-CB 4.46Å; Y1444-F1538 HydrophobicContact CE1-CD1 4.29Å; Y1444-F1538 HydrophobicContact CG-CD1 4.22Å
1445S87Confident86.8Confident27 Ų2734.8 Ų34.819%0.18919%0.188CC..Hα-helixtrans-62.1-38.8-174.6-176.90000112.6W1441 N1449W1441-S1445 WeakPolarHBondContact CH2-OG 3.16Å; W1441-S1445 WeakPolarHBondContact O-CB 3.38Å; W1441-S1445 PolarHBondContact O-N 2.81Å; S1445-N1449 WeakPolarHBondContact O-CB 3.49Å; S1445-N1449 PolarHBondContact O-N 3.47Å; S1445-N1449 PolarHBondContact O-ND2 3.48Å
1446T88.6Confident86.2Confident26 Ų2636.5 Ų36.516%0.1620%0.2CC..Hα-helixtrans-80.2-17.5178.660.40000114.5T1442 Y1444 M1450 F1462 F1463T1442-T1446 HydrophobicContact CG2-CG2 4.3Å; T1442-T1446 VanDerWaalsContact O-CB 3.31Å; T1442-T1446 WeakPolarHBondContact O-CB 3.46Å; T1442-T1446 VanDerWaalsContact O-CG2 3.28Å; T1442-T1446 WeakPolarHBondContact O-CG2 3.34Å; T1442-T1446 PolarHBondContact O-N 2.84Å; T1442-T1446 PolarHBondContact O-OG1 3.36Å; Y1444-T1446 VanDerWaalsContact C-N 3.35Å; Y1444-T1446 PolarHBondContact O-N 3.05Å; T1446-M1450 WeakPolarHBondContact O-CB 3.3Å; T1446-F1462 HydrophobicContact CG2-CE1 4.15Å; T1446-F1463 WeakPolarHBondContact OG1-CE1 3.22Å
1447W88.4Confident85.4Confident5 Ų539.3 Ų39.32%0.01922%0.22CC..Hα-helixtrans-81.8-46171.1-176.6-96.4000111.3L1443 Y1444 N1449 M1450 L1452 F1463 F1510 I1511 M1597 V1600L1443-W1447 WeakPolarHBondContact O-CB 3.4Å; L1443-W1447 PolarHBondContact O-N 2.88Å; L1443-W1447 VanDerWaalsContact O-N 3.13Å; Y1444-W1447 PolarHBondContact O-N 3.19Å; W1447-N1449 VanDerWaalsContact C-N 3.33Å; W1447-N1449 PolarHBondContact O-N 3.47Å; W1447-M1450 HydrophobicContact CE3-CE 4.33Å; W1447-M1450 HydrophobicContact CZ3-CE 4.37Å; W1447-M1450 PolarHBondContact O-N 3.2Å; W1447-L1452 HydrophobicContact CD2-CD2 4.38Å; W1447-L1452 HydrophobicContact CE3-CD2 4.45Å; W1447-L1452 HydrophobicContact CH2-CD2 3.99Å; W1447-L1452 HydrophobicContact CZ2-CD2 3.89Å; W1447-L1452 HydrophobicContact CZ3-CD2 4.26Å; W1447-F1463 HydrophobicContact CB-CE1 4.1Å; W1447-F1463 HydrophobicContact CE3-CD1 4.26Å; W1447-F1463 HydrophobicContact CE3-CD2 4.49Å; W1447-F1463 AromaticContact CE3-CE1 4Å; W1447-F1463 HydrophobicContact CE3-CE1 4Å; W1447-F1463 HydrophobicContact CE3-CE2 4.27Å; W1447-F1463 HydrophobicContact CE3-CZ 4Å; W1447-F1510 AromaticContact CD1-CE1 3.79Å; W1447-I1511 HydrophobicContact CB-CG1 4.48Å; W1447-I1511 HydrophobicContact CD2-CG1 4.12Å; W1447-I1511 HydrophobicContact CD2-CG2 4.26Å; W1447-I1511 HydrophobicContact CE3-CG2 4.48Å; W1447-I1511 HydrophobicContact CG-CG1 3.96Å; W1447-I1511 HydrophobicContact CH2-CG2 4.15Å; W1447-I1511 HydrophobicContact CZ2-CG2 3.9Å; W1447-I1511 HydrophobicContact CZ3-CG2 4.44Å; W1447-M1597 HydrophobicContact CH2-CG 4.13Å; W1447-V1600 HydrophobicContact CE3-CG1 4.27Å; W1447-V1600 HydrophobicContact CH2-CB 4.4Å; W1447-V1600 HydrophobicContact CH2-CG1 4.21Å; W1447-V1600 HydrophobicContact CZ3-CB 4.05Å; W1447-V1600 HydrophobicContact CZ3-CG1 3.61Å
1448D84.4Confident84.8Confident87 Ų8739.8 Ų39.847%0.46522%0.223SC..Hα-helixtrans-63.1-35.5-179.4-170.459.8000113Y1444 F1510Y1444-D1448 PolarHBondContact O-N 3.01Å; D1448-F1510 HydrophobicContact CB-CE1 4.22Å; D1448-F1510 HydrophobicContact CB-CZ 4.27Å
1449N83Confident84.5Confident127 Ų12741 Ų4168%0.67923%0.23SC*.THydrogen-bonded Turntrans-87.95.4178.8-72-88.1000114.6S1445 W1447S1445-N1449 WeakPolarHBondContact O-CB 3.49Å; S1445-N1449 PolarHBondContact O-N 3.47Å; S1445-N1449 PolarHBondContact O-ND2 3.48Å; W1447-N1449 VanDerWaalsContact C-N 3.33Å; W1447-N1449 PolarHBondContact O-N 3.47Å
1450M83.8Confident84Confident30 Ų3043.3 Ų43.315%0.14824%0.24CC..SBendtrans-100.2133-176.7-172.2174.272.400112.7T1446 W1447 L1452 M1455 D1459 F1463T1446-M1450 WeakPolarHBondContact O-CB 3.3Å; W1447-M1450 HydrophobicContact CE3-CE 4.33Å; W1447-M1450 HydrophobicContact CZ3-CE 4.37Å; W1447-M1450 PolarHBondContact O-N 3.2Å; M1450-L1452 HydrophobicContact CE-CD2 3.85Å; M1450-L1452 PolarHBondContact O-N 2.81Å; M1450-L1452 VanDerWaalsContact O-N 3.11Å; M1450-M1455 HydrophobicContact CE-CB 4.09Å; M1450-M1455 HydrophobicContact CE-CE 3.98Å; M1450-M1455 HydrophobicContact CE-CG 3.7Å; M1450-M1455 HydrophobicContact CE-SD 3.7Å; M1450-M1455 HydrophobicContact SD-CB 4.5Å; M1450-M1455 HydrophobicContact SD-CG 4.16Å; M1450-D1459 HydrophobicContact SD-CB 4.12Å; M1450-F1463 HydrophobicContact CE-CD2 4.49Å; M1450-F1463 HydrophobicContact CE-CE2 3.53Å; M1450-F1463 HydrophobicContact CE-CZ 3.96Å; M1450-F1463 HydrophobicContact SD-CE2 3.63Å; M1450-F1463 HydrophobicContact SD-CZ 4.02Å
1451D80Confident83.6Confident97 Ų9745.8 Ų45.852%0.51925%0.251SS..  trans-69.1102.2165.117431000110.2D1453 S1454D1451-D1453 PolarHBondContact O-N 2.84Å; D1451-D1453 PolarHBondContact OD1-N 3.11Å; D1451-S1454 VanDerWaalsContact CG-OG 3.3Å; D1451-S1454 PolarHBondContact O-N 2.91Å; D1451-S1454 PolarHBondContact O-OG 3.12Å; D1451-S1454 VanDerWaalsContact OD2-CB 3.28Å; D1451-S1454 WeakPolarHBondContact OD2-CB 3.42Å; D1451-S1454 PolarHBondContact OD2-OG 3Å
1452L76.1Confident83.6Confident22 Ų2243.7 Ų43.712%0.11524%0.243CC..G310 helixtrans-62.4-29.7-174.5-63.9174.5000112.9W1447 M1450 S1454 M1597W1447-L1452 HydrophobicContact CD2-CD2 4.38Å; W1447-L1452 HydrophobicContact CE3-CD2 4.45Å; W1447-L1452 HydrophobicContact CH2-CD2 3.99Å; W1447-L1452 HydrophobicContact CZ2-CD2 3.89Å; W1447-L1452 HydrophobicContact CZ3-CD2 4.26Å; M1450-L1452 HydrophobicContact CE-CD2 3.85Å; M1450-L1452 PolarHBondContact O-N 2.81Å; M1450-L1452 VanDerWaalsContact O-N 3.11Å; L1452-S1454 VanDerWaalsContact C-N 3.3Å; L1452-S1454 PolarHBondContact O-N 3.15Å; L1452-M1597 HydrophobicContact CB-SD 4.07Å; L1452-M1597 HydrophobicContact CD1-SD 4.09Å; L1452-M1597 HydrophobicContact CD2-SD 4.48Å; L1452-M1597 HydrophobicContact CG-SD 4.45Å
1453D74.9Confident83.6Confident123 Ų12343.7 Ų43.766%0.65824%0.243SC*.G310 helixtrans-75.4-16.3-178.2-75.9-20000113D1451 M1593D1451-D1453 PolarHBondContact O-N 2.84Å; D1451-D1453 PolarHBondContact OD1-N 3.11Å; D1453-M1593 VanDerWaalsContact O-CE 3.28Å; D1453-M1593 WeakPolarHBondContact O-CE 3.45Å
1454S78Confident83.4Confident74 Ų7444.8 Ų44.852%0.51725%0.249SC..G310 helixtrans-111.611178.764.90000114.9D1451 L1452 S1456D1451-S1454 VanDerWaalsContact CG-OG 3.3Å; D1451-S1454 PolarHBondContact O-N 2.91Å; D1451-S1454 PolarHBondContact O-OG 3.12Å; D1451-S1454 VanDerWaalsContact OD2-CB 3.28Å; D1451-S1454 WeakPolarHBondContact OD2-CB 3.42Å; D1451-S1454 PolarHBondContact OD2-OG 3Å; L1452-S1454 VanDerWaalsContact C-N 3.3Å; L1452-S1454 PolarHBondContact O-N 3.15Å; S1454-S1456 PolarHBondContact O-N 3.13Å
1455M81.3Confident83.4Confident2 Ų243.9 Ų43.91%0.0125%0.248CC..  trans-54121.7-177.7-175.6179.7-170.700114.3M1450 D1459 K1460 F1463 M1593 M1597 V1600M1450-M1455 HydrophobicContact CE-CB 4.09Å; M1450-M1455 HydrophobicContact CE-CE 3.98Å; M1450-M1455 HydrophobicContact CE-CG 3.7Å; M1450-M1455 HydrophobicContact CE-SD 3.7Å; M1450-M1455 HydrophobicContact SD-CB 4.5Å; M1450-M1455 HydrophobicContact SD-CG 4.16Å; M1455-D1459 HydrophobicContact CE-CB 4.33Å; M1455-D1459 HydrophobicContact CG-CB 3.99Å; M1455-K1460 HydrophobicContact CE-CB 4.23Å; M1455-F1463 HydrophobicContact CE-CD2 3.52Å; M1455-F1463 HydrophobicContact CE-CE2 3.91Å; M1455-M1593 WeakPolarHBondContact O-CE 2.99Å; M1455-M1597 HydrophobicContact SD-CB 4.33Å; M1455-V1600 HydrophobicContact CE-CB 4.44Å; M1455-V1600 HydrophobicContact CE-CG2 3.51Å
1456S80.1Confident83.7Confident40 Ų4042.6 Ų42.628%0.2824%0.239SC..  trans-86169-177.678.50000114.6S1454 T1458 D1459 K1460S1454-S1456 PolarHBondContact O-N 3.13Å; S1456-T1458 VanDerWaalsContact C-N 3.29Å; S1456-T1458 PolarHBondContact O-N 3.24Å; S1456-T1458 PolarHBondContact OG-N 3.14Å; S1456-T1458 PolarHBondContact OG-OG1 3.25Å; S1456-T1458 VanDerWaalsContact OG-OG1 3.05Å; S1456-D1459 VanDerWaalsContact CB-OD2 3.3Å; S1456-D1459 WeakPolarHBondContact CB-OD2 3.23Å; S1456-D1459 PolarHBondContact N-OD2 3.12Å; S1456-D1459 PolarHBondContact O-N 3.22Å; S1456-D1459 PolarHBondContact OG-N 3.23Å; S1456-D1459 VanDerWaalsContact OG-N 3.11Å; S1456-D1459 PolarHBondContact OG-OD2 3.24Å; S1456-K1460 PolarHBondContact O-N 3.21Å
1457S74.1Confident84Confident58 Ų5841.5 Ų41.541%0.40623%0.232SC..Hα-helixtrans-62.4-33.9173.253.30000112.9Q1461 N1579S1457-Q1461 PolarHBondContact O-N 3.28Å; S1457-N1579 PolarHBondContact OG-O 3.08Å
1458T78.1Confident84.1Confident32 Ų3243.3 Ų43.320%0.19624%0.241CC..Hα-helixtrans-77.3-29.8175.946.10000112.4S1456 Q1461 F1462S1456-T1458 VanDerWaalsContact C-N 3.29Å; S1456-T1458 PolarHBondContact O-N 3.24Å; S1456-T1458 PolarHBondContact OG-N 3.14Å; S1456-T1458 PolarHBondContact OG-OG1 3.25Å; S1456-T1458 VanDerWaalsContact OG-OG1 3.05Å; T1458-Q1461 PolarHBondContact O-N 3.01Å; T1458-F1462 PolarHBondContact O-N 3.14Å
1459D84.6Confident84.5Confident25 Ų2539.2 Ų39.213%0.13422%0.219CC..Hα-helixtrans-63-46.4168-66.9-68.8000110.7R1404 M1450 M1455 S1456 Q1461 F1462 F1463R1404-D1459 IonicContact CZ-OD1 3.59Å; R1404-D1459 VanDerWaalsContact CZ-OD1 3.22Å; R1404-D1459 IonicContact NE-OD1 3.38Å; R1404-D1459 PolarHBondContact NE-OD1 3.38Å; R1404-D1459 IonicContact NH2-OD1 2.74Å; R1404-D1459 PolarHBondContact NH2-OD1 2.79Å; M1450-D1459 HydrophobicContact SD-CB 4.12Å; M1455-D1459 HydrophobicContact CE-CB 4.33Å; M1455-D1459 HydrophobicContact CG-CB 3.99Å; S1456-D1459 VanDerWaalsContact CB-OD2 3.3Å; S1456-D1459 WeakPolarHBondContact CB-OD2 3.23Å; S1456-D1459 PolarHBondContact N-OD2 3.12Å; S1456-D1459 PolarHBondContact O-N 3.22Å; S1456-D1459 PolarHBondContact OG-N 3.23Å; S1456-D1459 VanDerWaalsContact OG-N 3.11Å; S1456-D1459 PolarHBondContact OG-OD2 3.24Å; D1459-Q1461 VanDerWaalsContact C-N 3.32Å; D1459-Q1461 PolarHBondContact O-N 3.24Å; D1459-F1462 WeakPolarHBondContact O-CB 3.13Å; D1459-F1462 PolarHBondContact O-N 3.04Å; D1459-F1462 VanDerWaalsContact O-N 3.12Å; D1459-F1463 HydrophobicContact CB-CE2 4.3Å; D1459-F1463 WeakPolarHBondContact O-CD2 3.32Å; D1459-F1463 PolarHBondContact O-N 3.07Å
1460K84.9Confident85Confident49 Ų4933.3 Ų33.321%0.21319%0.187CC..Hα-helixtrans-52.5-49.2173.5176.4-176.7171171.90111.5M1455 S1456 F1462 F1463 H1464 T1596 S1599 V1600 E2195M1455-K1460 HydrophobicContact CE-CB 4.23Å; S1456-K1460 PolarHBondContact O-N 3.21Å; K1460-F1462 VanDerWaalsContact C-N 3.33Å; K1460-F1462 PolarHBondContact O-N 3.22Å; K1460-F1463 PolarHBondContact O-N 2.89Å; K1460-H1464 WeakPolarHBondContact CE-CE1 3.32Å; K1460-H1464 VanDerWaalsContact CE-NE2 3.3Å; K1460-H1464 WeakPolarHBondContact CE-NE2 3.25Å; K1460-H1464 PolarHBondContact O-CD2 3.25Å; K1460-H1464 PolarHBondContact O-N 3.08Å; K1460-T1596 HydrophobicContact CD-CG2 4.44Å; K1460-S1599 WeakPolarHBondContact CE-OG 3.37Å; K1460-S1599 PolarHBondContact NZ-OG 3Å; K1460-V1600 HydrophobicContact CG-CG2 4.23Å; K1460-E2195 IonicContact NZ-OE1 2.67Å; K1460-E2195 PolarHBondContact NZ-OE1 3.39Å
1461Q82.8Confident85.4Confident53 Ų5332 Ų3225%0.24818%0.181CC..Hα-helixtrans-60.9-40.9178.9-175.9178.1-10.200112.2I1408 S1457 T1458 D1459 H1464 S1465I1408-Q1461 HydrophobicContact CD1-CB 4.23Å; I1408-Q1461 HydrophobicContact CD1-CG 4.12Å; S1457-Q1461 PolarHBondContact O-N 3.28Å; T1458-Q1461 PolarHBondContact O-N 3.01Å; D1459-Q1461 VanDerWaalsContact C-N 3.32Å; D1459-Q1461 PolarHBondContact O-N 3.24Å; Q1461-H1464 PolarHBondContact O-N 3.31Å; Q1461-S1465 WeakPolarHBondContact O-CB 3.21Å; Q1461-S1465 PolarHBondContact O-N 2.68Å; Q1461-S1465 PolarHBondContact O-OG 3.14Å
1462F89.7Confident85.8Confident1 Ų127.7 Ų27.70%0.00416%0.158CC..Hα-helixtrans-61.5-46.3177176.8-107.3000112.4M1399 S1407 I1408 V1411 T1442 T1446 T1458 D1459 K1460 S1465 L1466M1399-F1462 WeakPolarHBondContact O-CE2 3.46Å; M1399-F1462 WeakPolarHBondContact O-CZ 3.47Å; S1407-F1462 VanDerWaalsContact CB-CE2 3.46Å; I1408-F1462 HydrophobicContact CD1-CB 4.28Å; I1408-F1462 HydrophobicContact CG1-CB 3.84Å; I1408-F1462 HydrophobicContact CG1-CD2 4.02Å; I1408-F1462 HydrophobicContact CG1-CG 4.44Å; V1411-F1462 HydrophobicContact CG2-CE2 4.06Å; T1442-F1462 HydrophobicContact CG2-CZ 4.18Å; T1446-F1462 HydrophobicContact CG2-CE1 4.15Å; T1458-F1462 PolarHBondContact O-N 3.14Å; D1459-F1462 WeakPolarHBondContact O-CB 3.13Å; D1459-F1462 PolarHBondContact O-N 3.04Å; D1459-F1462 VanDerWaalsContact O-N 3.12Å; K1460-F1462 VanDerWaalsContact C-N 3.33Å; K1460-F1462 PolarHBondContact O-N 3.22Å; F1462-S1465 PolarHBondContact O-N 2.98Å; F1462-L1466 HydrophobicContact CD1-CD1 4.03Å; F1462-L1466 HydrophobicContact CE1-CD1 3.45Å; F1462-L1466 VanDerWaalsContact CE1-CD1 3.45Å; F1462-L1466 HydrophobicContact CE1-CG 4.39Å; F1462-L1466 HydrophobicContact CE2-CD1 4.22Å; F1462-L1466 HydrophobicContact CE2-CG 4.36Å; F1462-L1466 HydrophobicContact CZ-CD1 3.58Å; F1462-L1466 HydrophobicContact CZ-CG 4.19Å; F1462-L1466 PolarHBondContact O-N 2.78Å
1463F92.4Very high86.6Confident0 Ų026.8 Ų26.80%015%0.153CC..Hα-helixtrans-67.1-38.4176.2-68.1-68.5000113L1443 T1446 W1447 M1450 M1455 D1459 K1460 S1465 L1466 I1467 V1600L1443-F1463 HydrophobicContact CD1-CD1 3.62Å; L1443-F1463 HydrophobicContact CD1-CE1 4.2Å; T1446-F1463 WeakPolarHBondContact OG1-CE1 3.22Å; W1447-F1463 HydrophobicContact CB-CE1 4.1Å; W1447-F1463 HydrophobicContact CE3-CD1 4.26Å; W1447-F1463 HydrophobicContact CE3-CD2 4.49Å; W1447-F1463 AromaticContact CE3-CE1 4Å; W1447-F1463 HydrophobicContact CE3-CE1 4Å; W1447-F1463 HydrophobicContact CE3-CE2 4.27Å; W1447-F1463 HydrophobicContact CE3-CZ 4Å; M1450-F1463 HydrophobicContact CE-CD2 4.49Å; M1450-F1463 HydrophobicContact CE-CE2 3.53Å; M1450-F1463 HydrophobicContact CE-CZ 3.96Å; M1450-F1463 HydrophobicContact SD-CE2 3.63Å; M1450-F1463 HydrophobicContact SD-CZ 4.02Å; M1455-F1463 HydrophobicContact CE-CD2 3.52Å; M1455-F1463 HydrophobicContact CE-CE2 3.91Å; D1459-F1463 HydrophobicContact CB-CE2 4.3Å; D1459-F1463 WeakPolarHBondContact O-CD2 3.32Å; D1459-F1463 PolarHBondContact O-N 3.07Å; K1460-F1463 PolarHBondContact O-N 2.89Å; F1463-S1465 VanDerWaalsContact C-N 3.3Å; F1463-S1465 PolarHBondContact O-N 2.91Å; F1463-L1466 PolarHBondContact O-N 3Å; F1463-I1467 WeakPolarHBondContact O-CB 3.36Å; F1463-I1467 VanDerWaalsContact O-CG1 3.28Å; F1463-I1467 WeakPolarHBondContact O-CG1 3.46Å; F1463-I1467 PolarHBondContact O-N 3.09Å; F1463-V1600 HydrophobicContact CB-CB 4.44Å; F1463-V1600 HydrophobicContact CB-CG1 3.61Å; F1463-V1600 HydrophobicContact CB-CG2 3.87Å; F1463-V1600 HydrophobicContact CD2-CG2 4.46Å; F1463-V1600 HydrophobicContact CG-CG1 4.11Å
1464H89.3Confident87.4Confident24 Ų2421 Ų2111%0.11112%0.122CC..Hα-helixtrans-59.5-43.2173.3-77.9-143.6000111.1K1460 Q1461 I1467 Q1468 S1599 H2192 Y2194K1460-H1464 WeakPolarHBondContact CE-CE1 3.32Å; K1460-H1464 VanDerWaalsContact CE-NE2 3.3Å; K1460-H1464 WeakPolarHBondContact CE-NE2 3.25Å; K1460-H1464 PolarHBondContact O-CD2 3.25Å; K1460-H1464 PolarHBondContact O-N 3.08Å; Q1461-H1464 PolarHBondContact O-N 3.31Å; H1464-I1467 PolarHBondContact O-N 2.99Å; H1464-Q1468 WeakPolarHBondContact O-CB 3.19Å; H1464-Q1468 PolarHBondContact O-N 3.16Å; H1464-S1599 PolarHBondContact CE1-OG 3.16Å; H1464-S1599 PolarHBondContact NE2-OG 2.85Å; H1464-H2192 AromaticContact CE1-CD2 3.65Å; H1464-H2192 AromaticContact CE1-NE2 3.71Å; H1464-H2192 AromaticContact ND1-CD2 3.54Å; H1464-H2192 AromaticContact ND1-NE2 3.14Å; H1464-H2192 PolarHBondContact ND1-NE2 3.45Å; H1464-H2192 VanDerWaalsContact ND1-NE2 3.14Å; H1464-Y2194 PolarHBondContact CE1-OH 3.18Å; H1464-Y2194 PolarHBondContact ND1-OH 3.16Å
1465S89.5Confident87.7Confident19 Ų1919 Ų1913%0.13311%0.105CC..Hα-helixtrans-65.3-41.5179.1-53.60000111.9V1411 Q1461 F1462 F1463 S1469V1411-S1465 VanDerWaalsContact CG1-C 3.49Å; V1411-S1465 WeakPolarHBondContact CG1-O 3.45Å; Q1461-S1465 WeakPolarHBondContact O-CB 3.21Å; Q1461-S1465 PolarHBondContact O-N 2.68Å; Q1461-S1465 PolarHBondContact O-OG 3.14Å; F1462-S1465 PolarHBondContact O-N 2.98Å; F1463-S1465 VanDerWaalsContact C-N 3.3Å; F1463-S1465 PolarHBondContact O-N 2.91Å; S1465-S1469 WeakPolarHBondContact O-CB 3.08Å; S1465-S1469 PolarHBondContact O-N 2.96Å; S1465-S1469 PolarHBondContact O-OG 3.44Å
1466L94.5Very high87.9Confident0 Ų022 Ų220%012%0.116CC..Hα-helixtrans-63.4-48.1174.9-78.7173.6000112V1411 L1439 T1442 L1443 F1462 F1463 S1469 I1470V1411-L1466 HydrophobicContact CG1-CD2 4.12Å; V1411-L1466 HydrophobicContact CG1-CG 4.38Å; V1411-L1466 HydrophobicContact CG2-CD2 3.6Å; V1411-L1466 HydrophobicContact CG2-CG 4.18Å; L1439-L1466 HydrophobicContact CD2-CD2 3.76Å; T1442-L1466 HydrophobicContact CG2-CD1 4.38Å; T1442-L1466 HydrophobicContact CG2-CD2 4.32Å; L1443-L1466 HydrophobicContact CB-CD1 4.14Å; L1443-L1466 HydrophobicContact CD1-CB 4.36Å; L1443-L1466 HydrophobicContact CD1-CD1 4.23Å; F1462-L1466 HydrophobicContact CD1-CD1 4.03Å; F1462-L1466 HydrophobicContact CE1-CD1 3.45Å; F1462-L1466 VanDerWaalsContact CE1-CD1 3.45Å; F1462-L1466 HydrophobicContact CE1-CG 4.39Å; F1462-L1466 HydrophobicContact CE2-CD1 4.22Å; F1462-L1466 HydrophobicContact CE2-CG 4.36Å; F1462-L1466 HydrophobicContact CZ-CD1 3.58Å; F1462-L1466 HydrophobicContact CZ-CG 4.19Å; F1462-L1466 PolarHBondContact O-N 2.78Å; F1463-L1466 PolarHBondContact O-N 3Å; L1466-S1469 WeakPolarHBondContact O-CB 3.3Å; L1466-S1469 PolarHBondContact O-N 2.9Å; L1466-I1470 WeakPolarHBondContact O-CG1 3.26Å; L1466-I1470 PolarHBondContact O-N 3.43Å
1467I94Very high88.3Confident3 Ų320.4 Ų20.42%0.01510%0.104CC..Hα-helixtrans-64-44.6-179-68.3166.9000110.6L1443 F1463 H1464 S1469 I1470 I1471 V1600 A1603 A1604 A1607L1443-I1467 HydrophobicContact CD1-CG1 4.33Å; L1443-I1467 HydrophobicContact CD2-CG1 3.92Å; F1463-I1467 WeakPolarHBondContact O-CB 3.36Å; F1463-I1467 VanDerWaalsContact O-CG1 3.28Å; F1463-I1467 WeakPolarHBondContact O-CG1 3.46Å; F1463-I1467 PolarHBondContact O-N 3.09Å; H1464-I1467 PolarHBondContact O-N 2.99Å; I1467-S1469 VanDerWaalsContact C-N 3.31Å; I1467-S1469 PolarHBondContact O-N 3.09Å; I1467-I1470 PolarHBondContact O-N 3.28Å; I1467-I1471 HydrophobicContact CG2-CD1 4.41Å; I1467-I1471 WeakPolarHBondContact O-CG1 3.49Å; I1467-I1471 PolarHBondContact O-N 3.04Å; I1467-V1600 HydrophobicContact CD1-CG1 3.99Å; I1467-A1603 HydrophobicContact CD1-CB 3.98Å; I1467-A1603 HydrophobicContact CG2-CB 4.34Å; I1467-A1604 HydrophobicContact CD1-CB 4.23Å; I1467-A1607 HydrophobicContact CG2-CB 3.66Å
1468Q90.4Very high88.7Confident43 Ų4320.5 Ų20.520%0.20110%0.104CC..Hα-helixtrans-58.3-44.1173.8-17667.231.800111.5H1464 I1470 I1471 E1472 T2077H1464-Q1468 WeakPolarHBondContact O-CB 3.19Å; H1464-Q1468 PolarHBondContact O-N 3.16Å; Q1468-I1470 VanDerWaalsContact C-N 3.34Å; Q1468-I1470 PolarHBondContact O-N 2.91Å; Q1468-I1471 PolarHBondContact O-N 3.3Å; Q1468-E1472 HydrophobicContact CG-CG 4.33Å; Q1468-E1472 PolarHBondContact NE2-OE1 3Å; Q1468-E1472 WeakPolarHBondContact O-CG 3.44Å; Q1468-E1472 PolarHBondContact O-N 3.18Å; Q1468-T2077 PolarHBondContact NE2-OG1 2.89Å; Q1468-T2077 VanDerWaalsContact NE2-OG1 3.11Å
1469S93.1Very high88.8Confident2 Ų221.8 Ų21.81%0.01411%0.105CC..Hα-helixtrans-62.1-41.7178.4-56.30000111.8V1411 S1465 L1466 I1467 I1471 E1472 W1473V1411-S1469 VanDerWaalsContact CG1-OG 3.29Å; V1411-S1469 WeakPolarHBondContact CG1-OG 3.28Å; S1465-S1469 WeakPolarHBondContact O-CB 3.08Å; S1465-S1469 PolarHBondContact O-N 2.96Å; S1465-S1469 PolarHBondContact O-OG 3.44Å; L1466-S1469 WeakPolarHBondContact O-CB 3.3Å; L1466-S1469 PolarHBondContact O-N 2.9Å; I1467-S1469 VanDerWaalsContact C-N 3.31Å; I1467-S1469 PolarHBondContact O-N 3.09Å; S1469-I1471 VanDerWaalsContact C-N 3.34Å; S1469-I1471 PolarHBondContact O-N 3.2Å; S1469-E1472 PolarHBondContact O-N 3.15Å; S1469-W1473 WeakPolarHBondContact O-CB 3.5Å; S1469-W1473 VanDerWaalsContact O-CD1 3.25Å; S1469-W1473 PolarHBondContact O-N 3.29Å
1470I94.4Very high88.4Confident2 Ų224.7 Ų24.71%0.0112%0.121CC..Hα-helixtrans-61.1-42.4176-72.1168.7000110.8L1436 L1439 L1443 L1466 I1467 Q1468 S1474 I1504L1436-I1470 HydrophobicContact CD1-CB 4.33Å; L1436-I1470 HydrophobicContact CD1-CG1 4.25Å; L1436-I1470 HydrophobicContact CD1-CG2 4.14Å; L1439-I1470 HydrophobicContact CB-CD1 4.33Å; L1439-I1470 HydrophobicContact CB-CG1 3.77Å; L1443-I1470 HydrophobicContact CB-CD1 4.2Å; L1443-I1470 HydrophobicContact CD2-CD1 3.43Å; L1443-I1470 VanDerWaalsContact CD2-CD1 3.43Å; L1443-I1470 HydrophobicContact CG-CD1 4.44Å; L1466-I1470 WeakPolarHBondContact O-CG1 3.26Å; L1466-I1470 PolarHBondContact O-N 3.43Å; I1467-I1470 PolarHBondContact O-N 3.28Å; Q1468-I1470 VanDerWaalsContact C-N 3.34Å; Q1468-I1470 PolarHBondContact O-N 2.91Å; I1470-S1474 WeakPolarHBondContact O-CB 3.38Å; I1470-S1474 PolarHBondContact O-N 2.63Å; I1470-S1474 PolarHBondContact O-OG 3.47Å; I1470-I1504 HydrophobicContact CG2-CG2 3.59Å
1471I90.6Very high88.2Confident2 Ų224.7 Ų24.71%0.0112%0.121CC..Hα-helixtrans-62.2-52.3174.2-58.7163.3000110.5I1467 Q1468 S1469 W1473 S1474 M1475 M1606 A1607 H1610 T2077I1467-I1471 HydrophobicContact CG2-CD1 4.41Å; I1467-I1471 WeakPolarHBondContact O-CG1 3.49Å; I1467-I1471 PolarHBondContact O-N 3.04Å; Q1468-I1471 PolarHBondContact O-N 3.3Å; S1469-I1471 VanDerWaalsContact C-N 3.34Å; S1469-I1471 PolarHBondContact O-N 3.2Å; I1471-W1473 VanDerWaalsContact C-N 3.31Å; I1471-W1473 PolarHBondContact O-N 3.04Å; I1471-S1474 PolarHBondContact O-N 3.29Å; I1471-M1475 HydrophobicContact CG2-CG 4.02Å; I1471-M1475 VanDerWaalsContact O-CB 3.31Å; I1471-M1475 WeakPolarHBondContact O-CB 3.44Å; I1471-M1475 VanDerWaalsContact O-CG 3.26Å; I1471-M1475 WeakPolarHBondContact O-CG 3.44Å; I1471-M1475 PolarHBondContact O-N 2.9Å; I1471-M1606 HydrophobicContact CD1-SD 4.12Å; I1471-A1607 HydrophobicContact CD1-CB 3.73Å; I1471-A1607 HydrophobicContact CG1-CB 3.77Å; I1471-H1610 VanDerWaalsContact CG2-CD2 3.47Å; I1471-H1610 WeakPolarHBondContact CG2-CD2 3.41Å; I1471-T2077 HydrophobicContact CG2-CG2 3.58Å
1472E89.7Confident88.2Confident8 Ų822.2 Ų22.24%0.03711%0.11CC..Hα-helixtrans-63.5-31.2-174.9-73-68.4138.100114N1415 A1418 Q1468 S1469 R1476 T2075 T2077N1415-E1472 VanDerWaalsContact OD1-CB 3.28Å; N1415-E1472 WeakPolarHBondContact OD1-CB 3.34Å; N1415-E1472 WeakPolarHBondContact OD1-CG 3.48Å; A1418-E1472 HydrophobicContact CB-CB 4.48Å; Q1468-E1472 HydrophobicContact CG-CG 4.33Å; Q1468-E1472 PolarHBondContact NE2-OE1 3Å; Q1468-E1472 WeakPolarHBondContact O-CG 3.44Å; Q1468-E1472 PolarHBondContact O-N 3.18Å; S1469-E1472 PolarHBondContact O-N 3.15Å; E1472-R1476 WeakPolarHBondContact O-CG 3.27Å; E1472-R1476 PolarHBondContact O-NH1 3.35Å; E1472-R1476 IonicContact OE2-CZ 3.86Å; E1472-R1476 IonicContact OE2-NH1 3.92Å; E1472-R1476 PolarHBondContact OE2-NH1 2.98Å; E1472-R1476 IonicContact OE2-NH2 3.27Å; E1472-R1476 PolarHBondContact OE2-NH2 3.16Å; E1472-R1476 VanDerWaalsContact OE2-NH2 3.17Å; E1472-T2075 PolarHBondContact OE1-OG1 2.95Å; E1472-T2077 WeakPolarHBondContact OE1-CG2 3.48Å; E1472-T2077 PolarHBondContact OE1-OG1 3.31Å
1473W92.7Very high87.8Confident2 Ų225 Ų251%0.00812%0.124CC..Hα-helixtrans-80.3-44.4172.9-81.494.9000112I1414 L1417 A1418 C1421 L1424 P1432 V1435 L1436 L1439 S1469 I1471 M1475 R1476 I1477I1414-W1473 WeakPolarHBondContact O-CZ2 3.31Å; I1414-W1473 PolarHBondContact O-NE1 2.87Å; L1417-W1473 HydrophobicContact CB-CZ2 4.07Å; A1418-W1473 HydrophobicContact CB-CD2 4.06Å; A1418-W1473 HydrophobicContact CB-CG 4.24Å; A1418-W1473 HydrophobicContact CB-CZ2 4.1Å; C1421-W1473 HydrophobicContact CB-CE3 4.49Å; C1421-W1473 HydrophobicContact CB-CZ3 4.08Å; L1424-W1473 HydrophobicContact CD1-CH2 3.62Å; L1424-W1473 HydrophobicContact CD1-CZ3 4.26Å; P1432-W1473 HydrophobicContact CB-CE3 4.24Å; P1432-W1473 HydrophobicContact CB-CZ3 3.89Å; P1432-W1473 HydrophobicContact CG-CZ3 4.4Å; V1435-W1473 HydrophobicContact CB-CH2 4.45Å; V1435-W1473 HydrophobicContact CB-CZ2 4.47Å; V1435-W1473 HydrophobicContact CB-CZ3 4.48Å; V1435-W1473 HydrophobicContact CG1-CD2 3.82Å; V1435-W1473 HydrophobicContact CG1-CE3 4.27Å; V1435-W1473 HydrophobicContact CG1-CG 4.33Å; V1435-W1473 HydrophobicContact CG1-CH2 4.17Å; V1435-W1473 HydrophobicContact CG1-CZ2 3.71Å; V1435-W1473 HydrophobicContact CG1-CZ3 4.42Å; V1435-W1473 HydrophobicContact CG2-CH2 4.37Å; L1436-W1473 HydrophobicContact CB-CB 4.43Å; L1436-W1473 HydrophobicContact CD1-CB 4.05Å; L1436-W1473 HydrophobicContact CD2-CB 4.47Å; L1439-W1473 HydrophobicContact CD1-CG 4.3Å; S1469-W1473 WeakPolarHBondContact O-CB 3.5Å; S1469-W1473 VanDerWaalsContact O-CD1 3.25Å; S1469-W1473 PolarHBondContact O-N 3.29Å; I1471-W1473 VanDerWaalsContact C-N 3.31Å; I1471-W1473 PolarHBondContact O-N 3.04Å; W1473-M1475 PolarHBondContact O-N 3.45Å; W1473-R1476 PolarHBondContact O-N 3.03Å; W1473-R1476 VanDerWaalsContact O-N 3.09Å; W1473-I1477 HydrophobicContact CE3-CD1 4.47Å; W1473-I1477 WeakPolarHBondContact O-CG1 3.28Å; W1473-I1477 PolarHBondContact O-N 3.25Å; W1473-I1477 VanDerWaalsContact O-N 3.08Å
1474S90.7Very high86.9Confident1 Ų130.9 Ų30.91%0.00715%0.149CC..Hα-helixtrans-61.5-33.8176.8-55.10000112.3I1470 I1471 R1476 L1482I1470-S1474 WeakPolarHBondContact O-CB 3.38Å; I1470-S1474 PolarHBondContact O-N 2.63Å; I1470-S1474 PolarHBondContact O-OG 3.47Å; I1471-S1474 PolarHBondContact O-N 3.29Å; S1474-R1476 VanDerWaalsContact C-N 3.29Å; S1474-R1476 PolarHBondContact O-N 2.91Å; S1474-L1482 WeakPolarHBondContact O-CD1 3.29Å
1475M84.9Confident85.8Confident32 Ų3233.7 Ų33.716%0.15817%0.165CC..THydrogen-bonded Turntrans-79.4-4.7177.7-70.3-58.5-42.500114.3I1471 W1473 L1611 H1614 F1618I1471-M1475 HydrophobicContact CG2-CG 4.02Å; I1471-M1475 VanDerWaalsContact O-CB 3.31Å; I1471-M1475 WeakPolarHBondContact O-CB 3.44Å; I1471-M1475 VanDerWaalsContact O-CG 3.26Å; I1471-M1475 WeakPolarHBondContact O-CG 3.44Å; I1471-M1475 PolarHBondContact O-N 2.9Å; W1473-M1475 PolarHBondContact O-N 3.45Å; M1475-L1611 HydrophobicContact CG-CD2 4.44Å; M1475-L1611 HydrophobicContact SD-CD2 4.25Å; M1475-H1614 HydrophobicContact CE-CB 3.7Å; M1475-H1614 HydrophobicContact SD-CB 3.87Å; M1475-F1618 HydrophobicContact CE-CB 3.81Å; M1475-F1618 HydrophobicContact CE-CG 4.44Å
1476R86.2Confident84.5Confident66 Ų6636.9 Ų36.925%0.24918%0.177CC..THydrogen-bonded Turntrans-117.6-17.6179.7-74.5-170.1-177.487.5-5.5114.8A1418 C1421 E1472 W1473 S1474A1418-R1476 WeakPolarHBondContact O-CD 3.28Å; A1418-R1476 PolarHBondContact O-NE 2.94Å; C1421-R1476 HydrophobicContact CB-CB 4.01Å; E1472-R1476 WeakPolarHBondContact O-CG 3.27Å; E1472-R1476 PolarHBondContact O-NH1 3.35Å; E1472-R1476 IonicContact OE2-CZ 3.86Å; E1472-R1476 IonicContact OE2-NH1 3.92Å; E1472-R1476 PolarHBondContact OE2-NH1 2.98Å; E1472-R1476 IonicContact OE2-NH2 3.27Å; E1472-R1476 PolarHBondContact OE2-NH2 3.16Å; E1472-R1476 VanDerWaalsContact OE2-NH2 3.17Å; W1473-R1476 PolarHBondContact O-N 3.03Å; W1473-R1476 VanDerWaalsContact O-N 3.09Å; S1474-R1476 VanDerWaalsContact C-N 3.29Å; S1474-R1476 PolarHBondContact O-N 2.91Å
1477I87.2Confident82.6Confident7 Ų743.9 Ų43.94%0.03621%0.209CC..SBendtrans-80.5131.4170.8-64.3173.3000108.4P1432 L1436 W1473 Q1481 L1482P1432-I1477 HydrophobicContact CB-CD1 3.64Å; P1432-I1477 HydrophobicContact CB-CG1 3.79Å; L1436-I1477 HydrophobicContact CB-CD1 4.23Å; L1436-I1477 HydrophobicContact CD2-CD1 3.8Å; W1473-I1477 HydrophobicContact CE3-CD1 4.47Å; W1473-I1477 WeakPolarHBondContact O-CG1 3.28Å; W1473-I1477 PolarHBondContact O-N 3.25Å; W1473-I1477 VanDerWaalsContact O-N 3.08Å; I1477-Q1481 HydrophobicContact CG2-CB 3.77Å; I1477-L1482 HydrophobicContact CB-CD2 3.97Å; I1477-L1482 HydrophobicContact CB-CG 4.23Å; I1477-L1482 HydrophobicContact CD1-CD2 4.46Å; I1477-L1482 HydrophobicContact CG2-CD2 3.82Å; I1477-L1482 HydrophobicContact CG2-CG 3.92Å
1478P82.4Confident80.4Confident60 Ų6048 Ų4839%0.3923%0.232SC..  trans-56142.4178.1-2734.5000112.9L1425 D1480 Q1481 L1482L1425-P1478 HydrophobicContact CD1-CG 4.21Å; P1478-D1480 VanDerWaalsContact C-N 3.27Å; P1478-D1480 PolarHBondContact O-N 3.49Å; P1478-Q1481 WeakPolarHBondContact O-CA 3.47Å; P1478-Q1481 WeakPolarHBondContact O-CB 3.3Å; P1478-Q1481 PolarHBondContact O-N 3.49Å; P1478-L1482 PolarHBondContact O-N 3.48Å
1479Y80.5Confident78.1Confident59 Ų5954.3 Ų54.323%0.23126%0.258CS..Hα-helixtrans-54.3-42.9-177.6-178.1-135.8000112.6Q1481 L1482 M1483 L1501 L1615 D1616Y1479-Q1481 PolarHBondContact O-N 2.92Å; Y1479-L1482 PolarHBondContact O-N 3.2Å; Y1479-M1483 HydrophobicContact CD2-CG 3.56Å; Y1479-M1483 HydrophobicContact CD2-SD 4.27Å; Y1479-M1483 HydrophobicContact CE1-CG 4.18Å; Y1479-M1483 HydrophobicContact CE2-CG 3.16Å; Y1479-M1483 HydrophobicContact CE2-SD 3.44Å; Y1479-M1483 WeakPolarHBondContact CE2-SD 3.36Å; Y1479-M1483 HydrophobicContact CG-CG 4.25Å; Y1479-M1483 VanDerWaalsContact CZ-CG 3.49Å; Y1479-M1483 PolarHBondContact O-N 3.02Å; Y1479-L1501 HydrophobicContact CE2-CD2 4.35Å; Y1479-L1615 HydrophobicContact CD2-CD2 3.29Å; Y1479-L1615 HydrophobicContact CE2-CD2 3.87Å; Y1479-L1615 HydrophobicContact CG-CD2 4.01Å; Y1479-D1616 WeakPolarHBondContact CB-OD1 3.28Å; Y1479-D1616 HydrophobicContact CD1-CB 3.95Å; Y1479-D1616 HydrophobicContact CG-CB 4.04Å
1480D77.4Confident75.8Confident86 Ų8657.6 Ų57.646%0.4629%0.286SS..Hα-helixtrans-51.9-23.5171.2-85.51.1000115.7P1478 K1484P1478-D1480 VanDerWaalsContact C-N 3.27Å; P1478-D1480 PolarHBondContact O-N 3.49Å; D1480-K1484 WeakPolarHBondContact O-CD 3.25Å; D1480-K1484 WeakPolarHBondContact O-CE 3.43Å; D1480-K1484 WeakPolarHBondContact O-CG 3.47Å; D1480-K1484 PolarHBondContact O-NZ 2.92Å
1481Q80Confident73.3Confident49 Ų4966.3 Ų66.323%0.22933%0.326CS..Hα-helixtrans-96.5-30.5176.4-64.7-166.28.900112I1477 P1478 Y1479I1477-Q1481 HydrophobicContact CG2-CB 3.77Å; P1478-Q1481 WeakPolarHBondContact O-CA 3.47Å; P1478-Q1481 WeakPolarHBondContact O-CB 3.3Å; P1478-Q1481 PolarHBondContact O-N 3.49Å; Y1479-Q1481 PolarHBondContact O-N 2.92Å
1482L82.9Confident70.7Confident0 Ų069.4 Ų69.40%034%0.342CS..Hα-helixtrans-67.8-37.7172.9-63.4173.5000111.8L1436 S1474 I1477 P1478 Y1479 N1499 L1500 L1501 L1615L1436-L1482 HydrophobicContact CD2-CD2 3.9Å; S1474-L1482 WeakPolarHBondContact O-CD1 3.29Å; I1477-L1482 HydrophobicContact CB-CD2 3.97Å; I1477-L1482 HydrophobicContact CB-CG 4.23Å; I1477-L1482 HydrophobicContact CD1-CD2 4.46Å; I1477-L1482 HydrophobicContact CG2-CD2 3.82Å; I1477-L1482 HydrophobicContact CG2-CG 3.92Å; P1478-L1482 PolarHBondContact O-N 3.48Å; Y1479-L1482 PolarHBondContact O-N 3.2Å; L1482-N1499 WeakPolarHBondContact O-CB 3.19Å; L1482-N1499 PolarHBondContact O-OD1 3.22Å; L1482-L1500 HydrophobicContact CD2-CD2 4.09Å; L1482-L1500 HydrophobicContact CD2-CG 4.3Å; L1482-L1500 PolarHBondContact O-N 2.68Å; L1482-L1501 HydrophobicContact CB-CB 4.4Å; L1482-L1501 PolarHBondContact O-N 3.05Å; L1482-L1615 HydrophobicContact CD1-CD1 4.08Å; L1482-L1615 HydrophobicContact CD1-CD2 4.11Å; L1482-L1615 HydrophobicContact CD1-CG 4.34Å
1483M80.5Confident68.4Low60 Ų6078 Ų7830%0.29638%0.38SS..SBendtrans-83.6-4.8179.2-63.5-56-63.700114.5Y1479 N1485 N1499 L1501Y1479-M1483 HydrophobicContact CD2-CG 3.56Å; Y1479-M1483 HydrophobicContact CD2-SD 4.27Å; Y1479-M1483 HydrophobicContact CE1-CG 4.18Å; Y1479-M1483 HydrophobicContact CE2-CG 3.16Å; Y1479-M1483 HydrophobicContact CE2-SD 3.44Å; Y1479-M1483 WeakPolarHBondContact CE2-SD 3.36Å; Y1479-M1483 HydrophobicContact CG-CG 4.25Å; Y1479-M1483 VanDerWaalsContact CZ-CG 3.49Å; Y1479-M1483 PolarHBondContact O-N 3.02Å; M1483-N1485 PolarHBondContact O-N 3.27Å; M1483-N1499 WeakPolarHBondContact O-CB 3.41Å; M1483-L1501 HydrophobicContact SD-CB 4.4Å; M1483-L1501 HydrophobicContact SD-CD2 4.02Å
1484K74Confident66Low124 Ų12485.6 Ų85.654%0.53942%0.42SS..  trans-77.4117.8177.3-89.4166.9-168.8128.80110.8D1480D1480-K1484 WeakPolarHBondContact O-CD 3.25Å; D1480-K1484 WeakPolarHBondContact O-CE 3.43Å; D1480-K1484 WeakPolarHBondContact O-CG 3.47Å; D1480-K1484 PolarHBondContact O-NZ 2.92Å
1485N67.1Low63.4Low82 Ų8287.9 Ų87.944%0.43943%0.431SS..  trans-60.6138.1172.2-66.2-16.1000111.1M1483 E1487 A1497 N1499M1483-N1485 PolarHBondContact O-N 3.27Å; N1485-E1487 PolarHBondContact O-N 3.36Å; N1485-A1497 HydrophobicContact CB-CB 4.26Å; N1485-A1497 PolarHBondContact ND2-O 3.11Å; N1485-A1497 PolarHBondContact OD1-O 3.02Å; N1485-N1499 PolarHBondContact OD1-N 3.03Å
1486F61.7Low61.4Low87 Ų8791.1 Ų91.138%0.38246%0.455SS..  trans-69.6113-178-77-90.3000112.5L1437 N1488 L1500 I1503L1437-F1486 HydrophobicContact CD2-CE1 4.23Å; L1437-F1486 HydrophobicContact CD2-CZ 3.99Å; F1486-N1488 PolarHBondContact O-N 3.15Å; F1486-L1500 HydrophobicContact CE2-CB 3.97Å; F1486-L1500 HydrophobicContact CE2-CD1 4.27Å; F1486-L1500 HydrophobicContact CZ-CB 4.29Å; F1486-L1500 HydrophobicContact CZ-CD1 4.16Å; F1486-I1503 HydrophobicContact CE2-CD1 4.23Å
1487E53.7Low59.8Low146 Ų14691.7 Ų91.768%0.68247%0.473SS*.  trans-73.552.6172.6-69.9-157.2171.500113.9N1485 K1489N1485-E1487 PolarHBondContact O-N 3.36Å; E1487-K1489 VanDerWaalsContact C-N 3.29Å; E1487-K1489 PolarHBondContact O-N 2.84Å; E1487-K1489 IonicContact OE2-NZ 3.22Å; E1487-K1489 PolarHBondContact OE2-NZ 3.37Å
1488N48.3Very low58.8Low91 Ų9192.2 Ų92.249%0.48748%0.478SS..  trans-75.981.4174.2-86.48.7000111.2F1486 A1490 L1492F1486-N1488 PolarHBondContact O-N 3.15Å; N1488-A1490 PolarHBondContact O-N 2.86Å; N1488-L1492 HydrophobicContact CB-CD1 4.46Å
1489K41.4Very low58.8Low175 Ų17589.6 Ų89.676%0.76146%0.46SS*.THydrogen-bonded Turntrans-61.412.7-170-91.8167.6171.4142.40117.9E1487E1487-K1489 VanDerWaalsContact C-N 3.29Å; E1487-K1489 PolarHBondContact O-N 2.84Å; E1487-K1489 IonicContact OE2-NZ 3.22Å; E1487-K1489 PolarHBondContact OE2-NZ 3.37Å
1490A46.4Very low59Low71 Ų7186.8 Ų86.859%0.58745%0.45SS*.THydrogen-bonded Turntrans-130.8-72-178.700000114.1N1488N1488-A1490 PolarHBondContact O-N 2.86Å
1491E40.8Very low59.3Low185 Ų18583.5 Ų83.586%0.86443%0.432SS*.THydrogen-bonded Turntrans-101.4-20.6-154.6-57.8-166.5141.300116.3K1493E1491-K1493 VanDerWaalsContact C-N 3.34Å; E1491-K1493 PolarHBondContact O-N 3.21Å
1492L37Very low59.5Low66 Ų6683.8 Ų83.835%0.34644%0.435SS..  trans-9133.8-171.8-84.7164.6000115.2N1488 L1494 L1495N1488-L1492 HydrophobicContact CB-CD1 4.46Å; L1492-L1494 PolarHBondContact O-N 2.87Å; L1492-L1495 HydrophobicContact CD2-CD1 4.33Å; L1492-L1495 PolarHBondContact O-N 3.36Å
1493K40.5Very low59.6Low190 Ų19084.8 Ų84.883%0.82644%0.44SS*.THydrogen-bonded Turntrans-66.510.4-177.5-71.1-172.9178.3178.50116.4E1491E1491-K1493 VanDerWaalsContact C-N 3.34Å; E1491-K1493 PolarHBondContact O-N 3.21Å
1494L41.7Very low59.9Low161 Ų16182 Ų8284%0.84343%0.427SS*.THydrogen-bonded Turntrans-119.6-6.6-177.8-85.5165.1000114.6L1492L1492-L1494 PolarHBondContact O-N 2.87Å
1495L37Very low60.5Low48 Ų4878.3 Ų78.325%0.25141%0.412SS..SBendtrans-92143166.6-93.767.6000109.7L1492 M1536L1492-L1495 HydrophobicContact CD2-CD1 4.33Å; L1492-L1495 PolarHBondContact O-N 3.36Å; L1495-M1536 HydrophobicContact CD2-CE 4.42Å; L1495-M1536 HydrophobicContact CD2-CG 4.22Å; L1495-M1536 HydrophobicContact CD2-SD 3.8Å; L1495-M1536 HydrophobicContact CG-CG 4.26Å; L1495-M1536 HydrophobicContact CG-SD 4.37Å
1496P43.3Very low61.4Low101 Ų10176.1 Ų76.166%0.65640%0.399SS*.  trans-60.7153.2158.630.3-34.1000109S1498P1496-S1498 VanDerWaalsContact C-N 3.3Å; P1496-S1498 PolarHBondContact O-N 3.01Å; P1496-S1498 PolarHBondContact O-OG 3.2Å
1497A52.5Low62.6Low77 Ų7772.1 Ų72.164%0.63638%0.382SS*.  trans-68.188-176.700000111.1N1485N1485-A1497 HydrophobicContact CB-CB 4.26Å; N1485-A1497 PolarHBondContact ND2-O 3.11Å; N1485-A1497 PolarHBondContact OD1-O 3.02Å
1498S66.4Low64.3Low18 Ų1865.2 Ų65.213%0.12635%0.349CS..  trans-88142.317635.60000110.1P1496 D1502P1496-S1498 VanDerWaalsContact C-N 3.3Å; P1496-S1498 PolarHBondContact O-N 3.01Å; P1496-S1498 PolarHBondContact O-OG 3.2Å; S1498-D1502 WeakPolarHBondContact CA-OD2 3.26Å
1499N82.1Confident66.1Low5 Ų562.8 Ų62.83%0.02734%0.339CS..  trans-90.2176.8173.66961.9000110.5L1482 M1483 N1485 L1501 D1502 I1503L1482-N1499 WeakPolarHBondContact O-CB 3.19Å; L1482-N1499 PolarHBondContact O-OD1 3.22Å; M1483-N1499 WeakPolarHBondContact O-CB 3.41Å; N1485-N1499 PolarHBondContact OD1-N 3.03Å; N1499-L1501 VanDerWaalsContact C-N 3.34Å; N1499-L1501 WeakPolarHBondContact OD1-CA 3.3Å; N1499-L1501 VanDerWaalsContact OD1-CB 3.27Å; N1499-L1501 WeakPolarHBondContact OD1-CB 3.42Å; N1499-L1501 PolarHBondContact OD1-N 3.37Å; N1499-D1502 VanDerWaalsContact CG-CG 3.4Å; N1499-D1502 VanDerWaalsContact CG-OD2 3.29Å; N1499-D1502 PolarHBondContact N-OD2 3.11Å; N1499-D1502 PolarHBondContact ND2-OD1 3.09Å; N1499-D1502 PolarHBondContact ND2-OD2 2.84Å; N1499-D1502 PolarHBondContact O-N 2.95Å; N1499-D1502 PolarHBondContact OD1-N 2.98Å; N1499-D1502 PolarHBondContact OD1-OD1 2.95Å; N1499-I1503 WeakPolarHBondContact O-CG1 3.38Å; N1499-I1503 PolarHBondContact O-N 3.44Å
1500L83.7Confident68.2Low1 Ų155.5 Ų55.51%0.00531%0.307CS..Hα-helixtrans-70-31.8-177.1-178.653.8000112.3L1436 L1437 L1482 F1486 I1504L1436-L1500 HydrophobicContact CB-CD2 4.43Å; L1436-L1500 HydrophobicContact CD2-CD2 4.06Å; L1436-L1500 HydrophobicContact CD2-CG 4.31Å; L1436-L1500 HydrophobicContact CG-CD2 4.4Å; L1437-L1500 HydrophobicContact CB-CD1 4.15Å; L1437-L1500 HydrophobicContact CD1-CD1 4Å; L1482-L1500 HydrophobicContact CD2-CD2 4.09Å; L1482-L1500 HydrophobicContact CD2-CG 4.3Å; L1482-L1500 PolarHBondContact O-N 2.68Å; F1486-L1500 HydrophobicContact CE2-CB 3.97Å; F1486-L1500 HydrophobicContact CE2-CD1 4.27Å; F1486-L1500 HydrophobicContact CZ-CB 4.29Å; F1486-L1500 HydrophobicContact CZ-CD1 4.16Å; L1500-I1504 HydrophobicContact CD1-CD1 4.34Å; L1500-I1504 HydrophobicContact CG-CD1 4.16Å; L1500-I1504 VanDerWaalsContact O-CD1 3.23Å; L1500-I1504 WeakPolarHBondContact O-CD1 3.13Å; L1500-I1504 VanDerWaalsContact O-CG1 3.25Å; L1500-I1504 WeakPolarHBondContact O-CG1 3.24Å; L1500-I1504 PolarHBondContact O-N 2.99Å
1501L85.4Confident70.1Confident16 Ų1652.1 Ų52.18%0.08428%0.28CS..Hα-helixtrans-68.5-40.4175.7-177.759.5000112Y1479 L1482 M1483 N1499 I1503 I1504 I1505 L1615Y1479-L1501 HydrophobicContact CE2-CD2 4.35Å; L1482-L1501 HydrophobicContact CB-CB 4.4Å; L1482-L1501 PolarHBondContact O-N 3.05Å; M1483-L1501 HydrophobicContact SD-CB 4.4Å; M1483-L1501 HydrophobicContact SD-CD2 4.02Å; N1499-L1501 VanDerWaalsContact C-N 3.34Å; N1499-L1501 WeakPolarHBondContact OD1-CA 3.3Å; N1499-L1501 VanDerWaalsContact OD1-CB 3.27Å; N1499-L1501 WeakPolarHBondContact OD1-CB 3.42Å; N1499-L1501 PolarHBondContact OD1-N 3.37Å; L1501-I1503 VanDerWaalsContact C-N 3.33Å; L1501-I1503 PolarHBondContact O-N 3.16Å; L1501-I1504 PolarHBondContact O-N 3.3Å; L1501-I1505 HydrophobicContact CD1-CD1 3.99Å; L1501-I1505 HydrophobicContact CD1-CG1 4.19Å; L1501-I1505 HydrophobicContact CG-CD1 3.84Å; L1501-I1505 HydrophobicContact CG-CG1 4.43Å; L1501-I1505 WeakPolarHBondContact O-CG1 3.47Å; L1501-I1505 PolarHBondContact O-N 3.48Å; L1501-L1615 HydrophobicContact CD1-CD1 3.67Å; L1501-L1615 HydrophobicContact CD2-CD1 3.93Å; L1501-L1615 HydrophobicContact CG-CD1 4.45Å
1502D82.8Confident72.2Confident56 Ų5645.2 Ų45.230%0.29925%0.248SC..Hα-helixtrans-55.9-47.9176.2-58.8-23.6000111.2S1498 N1499 I1504 I1505 E1506S1498-D1502 WeakPolarHBondContact CA-OD2 3.26Å; N1499-D1502 VanDerWaalsContact CG-CG 3.4Å; N1499-D1502 VanDerWaalsContact CG-OD2 3.29Å; N1499-D1502 PolarHBondContact N-OD2 3.11Å; N1499-D1502 PolarHBondContact ND2-OD1 3.09Å; N1499-D1502 PolarHBondContact ND2-OD2 2.84Å; N1499-D1502 PolarHBondContact O-N 2.95Å; N1499-D1502 PolarHBondContact OD1-N 2.98Å; N1499-D1502 PolarHBondContact OD1-OD1 2.95Å; D1502-I1504 VanDerWaalsContact C-N 3.33Å; D1502-I1504 PolarHBondContact O-N 3.2Å; D1502-I1505 PolarHBondContact O-N 3.13Å; D1502-E1506 PolarHBondContact O-N 3.15Å
1503I85Confident74Confident21 Ų2145.3 Ų45.311%0.10825%0.254CS..Hα-helixtrans-61.8-41.9-179.1-63.4167.5000110.7L1437 F1486 N1499 L1501 E1506 V1507 F1538L1437-I1503 HydrophobicContact CD1-CD1 4.03Å; L1437-I1503 HydrophobicContact CD1-CG2 3.99Å; F1486-I1503 HydrophobicContact CE2-CD1 4.23Å; N1499-I1503 WeakPolarHBondContact O-CG1 3.38Å; N1499-I1503 PolarHBondContact O-N 3.44Å; L1501-I1503 VanDerWaalsContact C-N 3.33Å; L1501-I1503 PolarHBondContact O-N 3.16Å; I1503-E1506 PolarHBondContact O-N 2.91Å; I1503-V1507 WeakPolarHBondContact O-CG2 3.26Å; I1503-V1507 PolarHBondContact O-N 3.07Å; I1503-F1538 HydrophobicContact CG2-CE1 4.3Å; I1503-F1538 HydrophobicContact CG2-CE2 4.28Å; I1503-F1538 HydrophobicContact CG2-CZ 3.92Å
1504I88.1Confident74.9Confident2 Ų238.7 Ų38.71%0.0123%0.228CC..Hα-helixtrans-65.3-45.7177.9-66.1159.3000110.6L1436 I1470 L1500 L1501 D1502 E1506 V1507 L1508 L1611L1436-I1504 HydrophobicContact CD1-CD1 3.92Å; L1436-I1504 HydrophobicContact CD1-CG1 4.47Å; L1436-I1504 HydrophobicContact CD2-CD1 3.58Å; L1436-I1504 HydrophobicContact CG-CD1 3.69Å; L1436-I1504 HydrophobicContact CG-CG1 4.46Å; I1470-I1504 HydrophobicContact CG2-CG2 3.59Å; L1500-I1504 HydrophobicContact CD1-CD1 4.34Å; L1500-I1504 HydrophobicContact CG-CD1 4.16Å; L1500-I1504 VanDerWaalsContact O-CD1 3.23Å; L1500-I1504 WeakPolarHBondContact O-CD1 3.13Å; L1500-I1504 VanDerWaalsContact O-CG1 3.25Å; L1500-I1504 WeakPolarHBondContact O-CG1 3.24Å; L1500-I1504 PolarHBondContact O-N 2.99Å; L1501-I1504 PolarHBondContact O-N 3.3Å; D1502-I1504 VanDerWaalsContact C-N 3.33Å; D1502-I1504 PolarHBondContact O-N 3.2Å; I1504-E1506 VanDerWaalsContact C-N 3.35Å; I1504-E1506 PolarHBondContact O-N 3.41Å; I1504-V1507 PolarHBondContact O-N 3.11Å; I1504-L1508 HydrophobicContact CG2-CD1 4.05Å; I1504-L1508 VanDerWaalsContact O-CG 3.31Å; I1504-L1508 WeakPolarHBondContact O-CG 3.47Å; I1504-L1508 PolarHBondContact O-N 2.97Å; I1504-L1611 HydrophobicContact CG2-CD1 3.99Å
1505I85.9Confident75.4Confident46 Ų4636.9 Ų36.924%0.23622%0.219CC..Hα-helixtrans-62.9-41.5178-69.2172.3000110.5L1501 D1502 L1508 C1509 M1608L1501-I1505 HydrophobicContact CD1-CD1 3.99Å; L1501-I1505 HydrophobicContact CD1-CG1 4.19Å; L1501-I1505 HydrophobicContact CG-CD1 3.84Å; L1501-I1505 HydrophobicContact CG-CG1 4.43Å; L1501-I1505 WeakPolarHBondContact O-CG1 3.47Å; L1501-I1505 PolarHBondContact O-N 3.48Å; D1502-I1505 PolarHBondContact O-N 3.13Å; I1505-L1508 PolarHBondContact O-N 2.83Å; I1505-C1509 WeakPolarHBondContact O-CB 3.45Å; I1505-C1509 PolarHBondContact O-N 3.19Å; I1505-C1509 PolarHBondContact O-SG 3.31Å; I1505-C1509 VanDerWaalsContact O-SG 3.35Å; I1505-M1608 HydrophobicContact CG2-CE 4.43Å
1506E85.6Confident75.6Confident36 Ų3638.9 Ų38.917%0.16823%0.234CC..Hα-helixtrans-68.1-40.3179.2-167.4167.9-176.800112.7D1502 I1503 I1504 L1508 C1509 F1510 I1532 L1533 M1536D1502-E1506 PolarHBondContact O-N 3.15Å; I1503-E1506 PolarHBondContact O-N 2.91Å; I1504-E1506 VanDerWaalsContact C-N 3.35Å; I1504-E1506 PolarHBondContact O-N 3.41Å; E1506-L1508 VanDerWaalsContact C-N 3.35Å; E1506-L1508 PolarHBondContact O-N 3.28Å; E1506-C1509 WeakPolarHBondContact O-CB 3.43Å; E1506-C1509 PolarHBondContact O-N 3.47Å; E1506-F1510 WeakPolarHBondContact O-CB 3.36Å; E1506-F1510 PolarHBondContact O-N 3.36Å; E1506-I1532 VanDerWaalsContact OE1-CB 3.25Å; E1506-I1532 WeakPolarHBondContact OE1-CB 3.46Å; E1506-I1532 VanDerWaalsContact OE1-CG2 3.22Å; E1506-I1532 WeakPolarHBondContact OE1-CG2 3.32Å; E1506-L1533 HydrophobicContact CG-CB 4.29Å; E1506-L1533 HydrophobicContact CG-CD1 4.12Å; E1506-L1533 WeakPolarHBondContact OE1-CA 3.09Å; E1506-L1533 WeakPolarHBondContact OE1-CB 3.45Å; E1506-L1533 PolarHBondContact OE1-N 2.72Å; E1506-M1536 WeakPolarHBondContact OE2-CE 3.5Å
1507V88.2Confident75.1Confident2 Ų240.5 Ų40.51%0.01224%0.237CC..Hα-helixtrans-62.7-40.5173.61700000111.5L1443 I1503 I1504 F1510 I1511 F1538L1443-V1507 HydrophobicContact CB-CG1 4.49Å; L1443-V1507 HydrophobicContact CD2-CG1 4.13Å; L1443-V1507 HydrophobicContact CG-CG1 4.14Å; I1503-V1507 WeakPolarHBondContact O-CG2 3.26Å; I1503-V1507 PolarHBondContact O-N 3.07Å; I1504-V1507 PolarHBondContact O-N 3.11Å; V1507-F1510 PolarHBondContact O-N 3.38Å; V1507-I1511 HydrophobicContact CG1-CD1 4.42Å; V1507-I1511 PolarHBondContact O-N 3.43Å; V1507-F1538 HydrophobicContact CG2-CE1 4Å
1508L89.6Confident74.2Confident1 Ų141.5 Ų41.51%0.00524%0.239CC..Hα-helixtrans-66.7-44.3174-67.9171.5000111.4I1504 I1505 E1506 F1510 I1511 I1512 A1604 A1607 M1608 L1611I1504-L1508 HydrophobicContact CG2-CD1 4.05Å; I1504-L1508 VanDerWaalsContact O-CG 3.31Å; I1504-L1508 WeakPolarHBondContact O-CG 3.47Å; I1504-L1508 PolarHBondContact O-N 2.97Å; I1505-L1508 PolarHBondContact O-N 2.83Å; E1506-L1508 VanDerWaalsContact C-N 3.35Å; E1506-L1508 PolarHBondContact O-N 3.28Å; L1508-F1510 VanDerWaalsContact C-N 3.28Å; L1508-F1510 PolarHBondContact O-N 3.23Å; L1508-I1511 PolarHBondContact O-N 3.37Å; L1508-I1512 WeakPolarHBondContact O-CD1 3.26Å; L1508-I1512 WeakPolarHBondContact O-CG1 3.47Å; L1508-I1512 PolarHBondContact O-N 3.28Å; L1508-A1604 HydrophobicContact CD2-CB 3.94Å; L1508-A1607 HydrophobicContact CD1-CB 4.09Å; L1508-A1607 HydrophobicContact CD2-CB 4.18Å; L1508-M1608 HydrophobicContact CB-CE 3.64Å; L1508-M1608 HydrophobicContact CD1-CB 4.49Å; L1508-L1611 HydrophobicContact CD1-CD1 4.26Å
1509C85Confident72.5Confident40 Ų4050 Ų5027%0.2728%0.277SS..Hα-helixtrans-54.8-42174-83.10000112.3I1505 E1506 I1512 S1513 M1608I1505-C1509 WeakPolarHBondContact O-CB 3.45Å; I1505-C1509 PolarHBondContact O-N 3.19Å; I1505-C1509 PolarHBondContact O-SG 3.31Å; I1505-C1509 VanDerWaalsContact O-SG 3.35Å; E1506-C1509 WeakPolarHBondContact O-CB 3.43Å; E1506-C1509 PolarHBondContact O-N 3.47Å; C1509-I1512 PolarHBondContact O-N 2.93Å; C1509-S1513 VanDerWaalsContact O-CB 3.22Å; C1509-S1513 WeakPolarHBondContact O-CB 3.42Å; C1509-S1513 PolarHBondContact O-N 3.19Å; C1509-S1513 PolarHBondContact O-OG 3.42Å; C1509-M1608 HydrophobicContact CB-CE 4.25Å; C1509-M1608 WeakPolarHBondContact SG-CE 3.24Å
1510F84.9Confident70Confident22 Ų2255.1 Ų55.110%0.09631%0.308CS..Hα-helixtrans-61.3-49.7179.4174.4-112.4000112.1Y1444 W1447 D1448 E1506 V1507 L1508 I1512 S1513 N1514 L1533Y1444-F1510 AromaticContact CD2-CD1 3.68Å; Y1444-F1510 HydrophobicContact CD2-CD1 3.68Å; Y1444-F1510 AromaticContact CD2-CE1 3.64Å; Y1444-F1510 HydrophobicContact CD2-CE1 3.64Å; Y1444-F1510 HydrophobicContact CD2-CG 4.5Å; Y1444-F1510 HydrophobicContact CD2-CZ 4.44Å; Y1444-F1510 AromaticContact CE2-CD1 3.88Å; Y1444-F1510 HydrophobicContact CE2-CD1 3.88Å; Y1444-F1510 AromaticContact CE2-CE1 3.57Å; Y1444-F1510 HydrophobicContact CE2-CE1 3.57Å; Y1444-F1510 HydrophobicContact CE2-CG 4.45Å; Y1444-F1510 AromaticContact CE2-CZ 3.92Å; Y1444-F1510 HydrophobicContact CE2-CZ 3.92Å; W1447-F1510 AromaticContact CD1-CE1 3.79Å; D1448-F1510 HydrophobicContact CB-CE1 4.22Å; D1448-F1510 HydrophobicContact CB-CZ 4.27Å; E1506-F1510 WeakPolarHBondContact O-CB 3.36Å; E1506-F1510 PolarHBondContact O-N 3.36Å; V1507-F1510 PolarHBondContact O-N 3.38Å; L1508-F1510 VanDerWaalsContact C-N 3.28Å; L1508-F1510 PolarHBondContact O-N 3.23Å; F1510-I1512 VanDerWaalsContact C-N 3.28Å; F1510-I1512 PolarHBondContact O-N 3.19Å; F1510-S1513 PolarHBondContact O-N 3.45Å; F1510-S1513 VanDerWaalsContact O-N 3.16Å; F1510-N1514 WeakPolarHBondContact CZ-ND2 3.36Å; F1510-N1514 WeakPolarHBondContact O-CB 3.25Å; F1510-N1514 PolarHBondContact O-N 2.79Å; F1510-N1514 VanDerWaalsContact O-N 3.15Å; F1510-L1533 HydrophobicContact CB-CD2 3.57Å; F1510-L1533 HydrophobicContact CD1-CD2 4.1Å; F1510-L1533 HydrophobicContact CD2-CD2 3.94Å; F1510-L1533 HydrophobicContact CG-CD2 3.63Å
1511I87.6Confident67.3Low0 Ų061 Ų610%035%0.349CS..Hα-helixtrans-57.5-43177.6-67.6160.2000111.4L1443 W1447 V1507 L1508 V1600 A1604L1443-I1511 HydrophobicContact CD1-CD1 3.7Å; L1443-I1511 HydrophobicContact CD2-CD1 3.71Å; L1443-I1511 HydrophobicContact CG-CD1 3.63Å; W1447-I1511 HydrophobicContact CB-CG1 4.48Å; W1447-I1511 HydrophobicContact CD2-CG1 4.12Å; W1447-I1511 HydrophobicContact CD2-CG2 4.26Å; W1447-I1511 HydrophobicContact CE3-CG2 4.48Å; W1447-I1511 HydrophobicContact CG-CG1 3.96Å; W1447-I1511 HydrophobicContact CH2-CG2 4.15Å; W1447-I1511 HydrophobicContact CZ2-CG2 3.9Å; W1447-I1511 HydrophobicContact CZ3-CG2 4.44Å; V1507-I1511 HydrophobicContact CG1-CD1 4.42Å; V1507-I1511 PolarHBondContact O-N 3.43Å; L1508-I1511 PolarHBondContact O-N 3.37Å; I1511-V1600 HydrophobicContact CG2-CG1 4.42Å; I1511-A1604 HydrophobicContact CB-CB 4.32Å; I1511-A1604 HydrophobicContact CG2-CB 3.91Å
1512I83.3Confident64.6Low40 Ų4066 Ų6621%0.20538%0.38CS..Hα-helixtrans-68.4-36.4-179.7-61.9164.8000111.6L1508 C1509 F1510 A1604 Q1605 M1608L1508-I1512 WeakPolarHBondContact O-CD1 3.26Å; L1508-I1512 WeakPolarHBondContact O-CG1 3.47Å; L1508-I1512 PolarHBondContact O-N 3.28Å; C1509-I1512 PolarHBondContact O-N 2.93Å; F1510-I1512 VanDerWaalsContact C-N 3.28Å; F1510-I1512 PolarHBondContact O-N 3.19Å; I1512-A1604 HydrophobicContact CD1-CB 4.23Å; I1512-A1604 HydrophobicContact CG1-CB 3.86Å; I1512-Q1605 HydrophobicContact CD1-CB 4.44Å; I1512-Q1605 HydrophobicContact CD1-CG 3.76Å; I1512-Q1605 HydrophobicContact CG1-CG 3.82Å; I1512-Q1605 HydrophobicContact CG2-CG 3.96Å; I1512-M1608 HydrophobicContact CD1-CE 3.72Å; I1512-M1608 HydrophobicContact CD1-SD 4.35Å
1513S76.5Confident62.1Low68 Ų6872.4 Ų72.448%0.47641%0.409SS..Hα-helixtrans-89.2-19.6-169.3-57.50000114.9C1509 F1510 N1515C1509-S1513 VanDerWaalsContact O-CB 3.22Å; C1509-S1513 WeakPolarHBondContact O-CB 3.42Å; C1509-S1513 PolarHBondContact O-N 3.19Å; C1509-S1513 PolarHBondContact O-OG 3.42Å; F1510-S1513 PolarHBondContact O-N 3.45Å; F1510-S1513 VanDerWaalsContact O-N 3.16Å; S1513-N1515 VanDerWaalsContact C-N 3.32Å; S1513-N1515 PolarHBondContact O-N 2.79Å
1514N59.2Low59.4Low52 Ų5278.9 Ų78.928%0.27844%0.444SS..  trans-77.775-166.3-137.36.4000112.8F1510 T1516 R1601F1510-N1514 WeakPolarHBondContact CZ-ND2 3.36Å; F1510-N1514 WeakPolarHBondContact O-CB 3.25Å; F1510-N1514 PolarHBondContact O-N 2.79Å; F1510-N1514 VanDerWaalsContact O-N 3.15Å; N1514-T1516 PolarHBondContact O-N 3.47Å; N1514-R1601 PolarHBondContact O-NH2 2.93Å
1515N50.6Low56.6Low122 Ų12282.9 Ų82.965%0.65247%0.471SS*.  trans-97.374.8-170.8-157.15.9000112.1S1513 N1517S1513-N1515 VanDerWaalsContact C-N 3.32Å; S1513-N1515 PolarHBondContact O-N 2.79Å; N1515-N1517 VanDerWaalsContact C-N 3.27Å; N1515-N1517 PolarHBondContact O-N 3.12Å
1516T41.8Very low53.7Low91 Ų9188.8 Ų88.856%0.55850%0.504SS*.  trans-74.658-171500000114.5N1514N1514-T1516 PolarHBondContact O-N 3.47Å
1517N32.5Very low51.1Low134 Ų13496.2 Ų96.272%0.71753%0.532SS*.  trans-140.621.9175.1-112.3-53.7000115.4N1515 Q1519N1515-N1517 VanDerWaalsContact C-N 3.27Å; N1515-N1517 PolarHBondContact O-N 3.12Å; N1517-Q1519 VanDerWaalsContact C-N 3.29Å; N1517-Q1519 PolarHBondContact O-N 3.12Å
1518S33.7Very low48.5Very low98 Ų98100.1 Ų100.169%0.68556%0.557SS**  trans-87.945.7175.268.30000113.8T1520S1518-T1520 PolarHBondContact O-N 3.17Å
1519Q30.3Very low45.9Very low197 Ų197107.6 Ų107.692%0.92159%0.592SS**  trans-88.444161.8-72.5-158.312.200111.7N1517N1517-Q1519 VanDerWaalsContact C-N 3.29Å; N1517-Q1519 PolarHBondContact O-N 3.12Å
1520T30.2Very low43.7Very low112 Ų112108.6 Ų108.669%0.68760%0.599SS**SBendtrans-117.5121.4163.7440000108.2S1518 V1522S1518-T1520 PolarHBondContact O-N 3.17Å; T1520-V1522 PolarHBondContact O-N 3.5Å
1521S27.2Very low41.7Very low124 Ų124114.7 Ų114.787%0.86763%0.625SS**  trans-78.179.2-166.955.70000112.8
1522V29.6Very low39.8Very low121 Ų121118.5 Ų118.573%0.73365%0.645SS**  trans-118.887167.9-173.20000109.3T1520 N1524T1520-V1522 PolarHBondContact O-N 3.5Å; V1522-N1524 VanDerWaalsContact C-N 3.27Å; V1522-N1524 PolarHBondContact O-N 3.46Å
1523Q29.9Very low38.1Very low192 Ų192116.9 Ų116.990%0.89764%0.637SS**  trans-7082.8169.6-71-177.8-12.300109.9
1524N27.6Very low36.9Very low157 Ų157118.2 Ų118.284%0.8465%0.646SS**  trans-177.773.9155.2-95.2-32.7000112.1V1522V1522-N1524 VanDerWaalsContact C-N 3.27Å; V1522-N1524 PolarHBondContact O-N 3.46Å
1525S28.9Very low36.5Very low85 Ų85119.9 Ų119.959%0.59466%0.662SS**  trans-149.7111.5152.765.50000111.1Y1527S1525-Y1527 PolarHBondContact O-N 2.8Å
1526N26.6Very low36.5Very low171 Ų171115.2 Ų115.291%0.91464%0.637SS**  trans-82.258.4176.4-76.2-12.6000110.8
1527Y29Very low37.4Very low192 Ų192116.7 Ų116.775%0.75364%0.641SS**  trans-76123160.6-78.8-76.5000108.2S1525 Q1529S1525-Y1527 PolarHBondContact O-N 2.8Å; Y1527-Q1529 PolarHBondContact O-N 3.5Å
1528P35Very low39.2Very low83 Ų83112 Ų11254%0.53961%0.614SS.*  trans-69.1102.117228.7-31.8000108.4
1529Q34Very low41.1Very low158 Ų158111.3 Ų111.374%0.73861%0.606SS**  trans-51.5142.5159.5-70.8177.5-53.300108.5Y1527 K1531Y1527-Q1529 PolarHBondContact O-N 3.5Å; Q1529-K1531 PolarHBondContact O-N 3.36Å
1530S40Very low43.5Very low61 Ų61103.5 Ų103.543%0.42757%0.57SS.*  trans-69.271-175.353.80000112.2I1532S1530-I1532 PolarHBondContact O-N 2.97Å
1531K43Very low46Very low150 Ų15099 Ų9965%0.65254%0.543SS*.Hα-helixtrans-67-11.8179.4-74.9-172.3174.4-174.90113.8Q1529 S1534 S1535Q1529-K1531 PolarHBondContact O-N 3.36Å; K1531-S1534 VanDerWaalsContact CA-OG 3.3Å; K1531-S1534 WeakPolarHBondContact CA-OG 3.48Å; K1531-S1534 CarbonylContact O-C 3.48Å; K1531-S1534 PolarHBondContact O-N 3.46Å; K1531-S1534 PolarHBondContact O-OG 3.45Å; K1531-S1535 PolarHBondContact O-N 2.82Å; K1531-S1535 PolarHBondContact O-OG 3.47Å
1532I47.1Very low48.6Very low80 Ų8093.1 Ų93.141%0.4150%0.502SS..Hα-helixtrans-58.1-55.7-178.8-57.4178.1000109.5E1506 S1530 S1534 S1535 M1536 T1728E1506-I1532 VanDerWaalsContact OE1-CB 3.25Å; E1506-I1532 WeakPolarHBondContact OE1-CB 3.46Å; E1506-I1532 VanDerWaalsContact OE1-CG2 3.22Å; E1506-I1532 WeakPolarHBondContact OE1-CG2 3.32Å; S1530-I1532 PolarHBondContact O-N 2.97Å; I1532-S1534 VanDerWaalsContact C-N 3.3Å; I1532-S1534 PolarHBondContact O-N 2.8Å; I1532-S1535 CarbonylContact O-C 3.57Å; I1532-S1535 WeakPolarHBondContact O-CA 3.38Å; I1532-S1535 WeakPolarHBondContact O-CB 3.39Å; I1532-S1535 PolarHBondContact O-N 3.41Å; I1532-S1535 PolarHBondContact O-OG 3.42Å; I1532-M1536 HydrophobicContact CG2-CE 4.13Å; I1532-M1536 PolarHBondContact O-N 3.29Å; I1532-T1728 HydrophobicContact CD1-CG2 4.19Å
1533L47.4Very low50.9Low6 Ų695.3 Ų95.33%0.03150%0.497CS..Hα-helixtrans-61-34.6177.1-158.361.4000113.4Y1444 E1506 F1510 S1535 M1536Y1444-L1533 HydrophobicContact CD2-CD2 3.7Å; Y1444-L1533 HydrophobicContact CE2-CD2 3.4Å; Y1444-L1533 VanDerWaalsContact CE2-CD2 3.4Å; Y1444-L1533 HydrophobicContact CE2-CG 3.9Å; E1506-L1533 HydrophobicContact CG-CB 4.29Å; E1506-L1533 HydrophobicContact CG-CD1 4.12Å; E1506-L1533 WeakPolarHBondContact OE1-CA 3.09Å; E1506-L1533 WeakPolarHBondContact OE1-CB 3.45Å; E1506-L1533 PolarHBondContact OE1-N 2.72Å; F1510-L1533 HydrophobicContact CB-CD2 3.57Å; F1510-L1533 HydrophobicContact CD1-CD2 4.1Å; F1510-L1533 HydrophobicContact CD2-CD2 3.94Å; F1510-L1533 HydrophobicContact CG-CD2 3.63Å; L1533-S1535 PolarHBondContact O-N 3.34Å; L1533-M1536 HydrophobicContact CD1-CB 4.26Å; L1533-M1536 HydrophobicContact CD1-SD 4.44Å; L1533-M1536 PolarHBondContact O-N 2.87Å; L1533-M1536 VanDerWaalsContact O-N 3.13Å
1534S51.1Low52.9Low96 Ų9691.9 Ų91.967%0.67148%0.481SS*.Hα-helixtrans-69.7-9.9172.469.40000114.6K1531 I1532K1531-S1534 VanDerWaalsContact CA-OG 3.3Å; K1531-S1534 WeakPolarHBondContact CA-OG 3.48Å; K1531-S1534 CarbonylContact O-C 3.48Å; K1531-S1534 PolarHBondContact O-N 3.46Å; K1531-S1534 PolarHBondContact O-OG 3.45Å; I1532-S1534 VanDerWaalsContact C-N 3.3Å; I1532-S1534 PolarHBondContact O-N 2.8Å
1535S50.6Low55.2Low87 Ų8786.7 Ų86.761%0.60845%0.45SS*.Hα-helixtrans-106-13.8170.167.50000113.2K1531 I1532 L1533 N1537K1531-S1535 PolarHBondContact O-N 2.82Å; K1531-S1535 PolarHBondContact O-OG 3.47Å; I1532-S1535 CarbonylContact O-C 3.57Å; I1532-S1535 WeakPolarHBondContact O-CA 3.38Å; I1532-S1535 WeakPolarHBondContact O-CB 3.39Å; I1532-S1535 PolarHBondContact O-N 3.41Å; I1532-S1535 PolarHBondContact O-OG 3.42Å; L1533-S1535 PolarHBondContact O-N 3.34Å; S1535-N1537 PolarHBondContact O-N 3.39Å
1536M51.8Low57.4Low25 Ų2583.2 Ų83.212%0.12343%0.425CS..  trans-77.9110.2168.9-71.7-152.1-179.100109.8L1495 E1506 I1532 L1533 F1538L1495-M1536 HydrophobicContact CD2-CE 4.42Å; L1495-M1536 HydrophobicContact CD2-CG 4.22Å; L1495-M1536 HydrophobicContact CD2-SD 3.8Å; L1495-M1536 HydrophobicContact CG-CG 4.26Å; L1495-M1536 HydrophobicContact CG-SD 4.37Å; E1506-M1536 WeakPolarHBondContact OE2-CE 3.5Å; I1532-M1536 HydrophobicContact CG2-CE 4.13Å; I1532-M1536 PolarHBondContact O-N 3.29Å; L1533-M1536 HydrophobicContact CD1-CB 4.26Å; L1533-M1536 HydrophobicContact CD1-SD 4.44Å; L1533-M1536 PolarHBondContact O-N 2.87Å; L1533-M1536 VanDerWaalsContact O-N 3.13Å; M1536-F1538 PolarHBondContact O-N 3.46Å
1537N59Low59.5Low122 Ų12281.3 Ų81.365%0.65241%0.414SS*.  trans-69.477.5162.3-73.9-31.8000109.2S1535 T1539S1535-N1537 PolarHBondContact O-N 3.39Å; N1537-T1539 VanDerWaalsContact C-N 3.26Å; N1537-T1539 PolarHBondContact O-N 2.87Å
1538F70.7Confident61.4Low36 Ų3680.6 Ų80.616%0.15841%0.411CS..  trans-72.682.4177.6-173-164.4000110L1437 A1440 W1441 Y1444 I1503 V1507 M1536L1437-F1538 HydrophobicContact CD1-CE2 3.75Å; L1437-F1538 HydrophobicContact CD1-CZ 3.95Å; L1437-F1538 HydrophobicContact CG-CE2 4.31Å; A1440-F1538 HydrophobicContact CB-CZ 4.5Å; W1441-F1538 HydrophobicContact CB-CE1 3.97Å; W1441-F1538 HydrophobicContact CB-CE2 4.24Å; W1441-F1538 HydrophobicContact CB-CZ 3.66Å; W1441-F1538 AromaticContact CD1-CD2 3.97Å; W1441-F1538 AromaticContact CD1-CE2 3.95Å; W1441-F1538 AromaticContact CD1-CZ 3.99Å; W1441-F1538 HydrophobicContact CG-CE1 4.38Å; W1441-F1538 HydrophobicContact CG-CZ 4.27Å; W1441-F1538 PolarHBondContact NE1-O 3.07Å; W1441-F1538 VanDerWaalsContact NE1-O 3.13Å; Y1444-F1538 AromaticContact CD1-CD1 3.7Å; Y1444-F1538 HydrophobicContact CD1-CD1 3.7Å; Y1444-F1538 HydrophobicContact CD1-CE1 4.38Å; Y1444-F1538 HydrophobicContact CE1-CB 4.46Å; Y1444-F1538 HydrophobicContact CE1-CD1 4.29Å; Y1444-F1538 HydrophobicContact CG-CD1 4.22Å; I1503-F1538 HydrophobicContact CG2-CE1 4.3Å; I1503-F1538 HydrophobicContact CG2-CE2 4.28Å; I1503-F1538 HydrophobicContact CG2-CZ 3.92Å; V1507-F1538 HydrophobicContact CG2-CE1 4Å; M1536-F1538 PolarHBondContact O-N 3.46Å
1539T74.8Confident62.8Low82 Ų8277.4 Ų77.450%0.50339%0.39SS..  trans-64.4146.7179.946.70000111.4N1537 P1541N1537-T1539 VanDerWaalsContact C-N 3.26Å; N1537-T1539 PolarHBondContact O-N 2.87Å; T1539-P1541 WeakPolarHBondContact O-CD 3.38Å
1540D80Confident64.1Low33 Ų3377.2 Ų77.218%0.17639%0.387CS..  trans-62.5116.4179176.37.7000111.3R1400 W1441 L1542 R1543R1400-D1540 IonicContact CZ-OD1 2.71Å; R1400-D1540 IonicContact CZ-OD2 2.68Å; R1400-D1540 IonicContact NH1-OD1 3.99Å; R1400-D1540 PolarHBondContact NH1-OD1 3.32Å; R1400-D1540 IonicContact NH1-OD2 3.44Å; R1400-D1540 PolarHBondContact NH1-OD2 3.07Å; R1400-D1540 IonicContact NH2-OD1 2.7Å; R1400-D1540 PolarHBondContact NH2-OD1 3.26Å; W1441-D1540 HydrophobicContact CD2-CB 4.45Å; W1441-D1540 HydrophobicContact CZ2-CB 3.93Å; D1540-L1542 PolarHBondContact O-N 3.1Å; D1540-L1542 PolarHBondContact OD1-N 2.95Å; D1540-R1543 HydrophobicContact CB-CB 4.29Å; D1540-R1543 VanDerWaalsContact O-CB 3.31Å; D1540-R1543 WeakPolarHBondContact O-CB 3.47Å; D1540-R1543 PolarHBondContact O-N 2.83Å; D1540-R1543 VanDerWaalsContact O-N 3.17Å
1541P82.6Confident65Low19 Ų1977.5 Ų77.512%0.12338%0.381CS..THydrogen-bonded Turntrans-67.5-21.3-177.930.1-38.3000113.7L1434 L1437 W1441 T1539 R1543 Y1545L1434-P1541 HydrophobicContact CD1-CB 4.14Å; L1437-P1541 HydrophobicContact CB-CB 4.4Å; L1437-P1541 HydrophobicContact CB-CG 4.43Å; L1437-P1541 HydrophobicContact CD2-CB 3.73Å; L1437-P1541 HydrophobicContact CD2-CG 4.42Å; L1437-P1541 HydrophobicContact CG-CB 3.89Å; L1437-P1541 HydrophobicContact CG-CG 4.04Å; W1441-P1541 HydrophobicContact CB-CG 4.19Å; T1539-P1541 WeakPolarHBondContact O-CD 3.38Å; P1541-R1543 VanDerWaalsContact C-N 3.3Å; P1541-Y1545 WeakPolarHBondContact O-CD2 3.35Å
1542L82.6Confident65.5Low0 Ų078.8 Ų78.80%040%0.395CS..THydrogen-bonded Turntrans-77.6-15.8176.6-64.7-176000112.8L1396 L1434 S1438 D1540 E1544 Y1545 I1546L1396-L1542 HydrophobicContact CB-CD1 3.83Å; L1396-L1542 HydrophobicContact CB-CD2 3.96Å; L1396-L1542 HydrophobicContact CD1-CD2 3.91Å; L1434-L1542 HydrophobicContact CD1-CD2 4.25Å; L1434-L1542 HydrophobicContact CG-CD2 4.46Å; S1438-L1542 VanDerWaalsContact OG-CD2 3.32Å; S1438-L1542 WeakPolarHBondContact OG-CD2 3.48Å; D1540-L1542 PolarHBondContact O-N 3.1Å; D1540-L1542 PolarHBondContact OD1-N 2.95Å; L1542-E1544 VanDerWaalsContact C-N 3.31Å; L1542-E1544 PolarHBondContact O-N 2.96Å; L1542-Y1545 PolarHBondContact O-N 2.91Å; L1542-I1546 HydrophobicContact CB-CD1 3.83Å; L1542-I1546 HydrophobicContact CB-CG1 4.26Å; L1542-I1546 WeakPolarHBondContact O-CG1 3.3Å; L1542-I1546 PolarHBondContact O-N 3.34Å
1543R77.2Confident66.2Low166 Ų16675.5 Ų75.563%0.62638%0.378SS*.Hα-helixtrans-62.9-33.7-169.5-167.2177.6-176-168.10.8113.8D1540 P1541 N1547D1540-R1543 HydrophobicContact CB-CB 4.29Å; D1540-R1543 VanDerWaalsContact O-CB 3.31Å; D1540-R1543 WeakPolarHBondContact O-CB 3.47Å; D1540-R1543 PolarHBondContact O-N 2.83Å; D1540-R1543 VanDerWaalsContact O-N 3.17Å; P1541-R1543 VanDerWaalsContact C-N 3.3Å; R1543-N1547 PolarHBondContact O-ND2 3.17Å
1544E72.4Confident66.8Low121 Ų12179.5 Ų79.557%0.56540%0.399SS*.Hα-helixtrans-72.2-38.8174.1-168.5-173.5153.700111.7L1542L1542-E1544 VanDerWaalsContact C-N 3.31Å; L1542-E1544 PolarHBondContact O-N 2.96Å
1545Y76.3Confident67.1Low48 Ų4878.4 Ų78.419%0.18839%0.385CS..Hα-helixtrans-78.9-33.6-174.3-67.9-92.9000113.1L1434 P1541 L1542 N1547 R1548 C1549L1434-Y1545 HydrophobicContact CD1-CD2 3.85Å; L1434-Y1545 HydrophobicContact CD1-CE2 3.73Å; L1434-Y1545 HydrophobicContact CD2-CD1 3.83Å; L1434-Y1545 HydrophobicContact CD2-CD2 3.85Å; L1434-Y1545 HydrophobicContact CD2-CE1 3.85Å; L1434-Y1545 HydrophobicContact CD2-CE2 3.89Å; L1434-Y1545 HydrophobicContact CD2-CG 3.84Å; L1434-Y1545 HydrophobicContact CG-CE2 4.42Å; P1541-Y1545 WeakPolarHBondContact O-CD2 3.35Å; L1542-Y1545 PolarHBondContact O-N 2.91Å; Y1545-N1547 VanDerWaalsContact C-N 3.3Å; Y1545-N1547 PolarHBondContact O-N 3.49Å; Y1545-R1548 WeakPolarHBondContact O-CB 3.04Å; Y1545-R1548 PolarHBondContact O-N 3.07Å; Y1545-C1549 PolarHBondContact O-N 3.42Å; Y1545-C1549 PolarHBondContact O-SG 3.45Å
1546I75.4Confident67.5Low11 Ų1179.5 Ų79.56%0.05638%0.384CS..Hα-helixtrans-59-42.5174-73.5165.6000110.7I1393 L1542 R1548 C1549 I1553 I1555I1393-I1546 HydrophobicContact CG2-CG1 4.12Å; L1542-I1546 HydrophobicContact CB-CD1 3.83Å; L1542-I1546 HydrophobicContact CB-CG1 4.26Å; L1542-I1546 WeakPolarHBondContact O-CG1 3.3Å; L1542-I1546 PolarHBondContact O-N 3.34Å; I1546-R1548 PolarHBondContact O-N 3.31Å; I1546-R1548 VanDerWaalsContact O-N 3.1Å; I1546-C1549 PolarHBondContact O-N 2.89Å; I1546-I1553 HydrophobicContact CG2-CB 4.37Å; I1546-I1555 HydrophobicContact CD1-CG1 4.41Å; I1546-I1555 HydrophobicContact CG2-CD1 4.34Å; I1546-I1555 HydrophobicContact CG2-CG1 4.07Å
1547N70.3Confident68.1Low131 Ų13180.2 Ų80.270%0.70139%0.388SS*.THydrogen-bonded Turntrans-66.9-8.5176.3-66.8-18.8000114.1R1543 Y1545R1543-N1547 PolarHBondContact O-ND2 3.17Å; Y1545-N1547 VanDerWaalsContact C-N 3.3Å; Y1545-N1547 PolarHBondContact O-N 3.49Å
1548R69Low68.2Low178 Ų17875.2 Ų75.267%0.67236%0.36SS*.THydrogen-bonded Turntrans-104.1-12.1-176.5-157.9175.9-172.41531.8113.1Y1545 I1546Y1545-R1548 WeakPolarHBondContact O-CB 3.04Å; Y1545-R1548 PolarHBondContact O-N 3.07Å; I1546-R1548 PolarHBondContact O-N 3.31Å; I1546-R1548 VanDerWaalsContact O-N 3.1Å
1549C64.7Low67.4Low16 Ų1677.6 Ų77.611%0.10838%0.375CS..SBendtrans-69.2141.3172.2-60.40000109.7E1390 Y1545 I1546 Q1551 I1553E1390-C1549 HydrophobicContact CG-CB 4.14Å; Y1545-C1549 PolarHBondContact O-N 3.42Å; Y1545-C1549 PolarHBondContact O-SG 3.45Å; I1546-C1549 PolarHBondContact O-N 2.89Å; C1549-Q1551 VanDerWaalsContact C-N 3.31Å; C1549-Q1551 WeakPolarHBondContact CB-O 3.44Å; C1549-I1553 HydrophobicContact CB-CD1 4.07Å; C1549-I1553 HydrophobicContact CB-CG1 4.49Å
1550K59.4Low66.1Low154 Ų15475.1 Ų75.167%0.6736%0.362SS*.SBendtrans-72.4-31.1177.2-63175.9-172.5169.50111.2D1386 E1390D1386-K1550 VanDerWaalsContact OD2-CE 3.29Å; D1386-K1550 WeakPolarHBondContact OD2-CE 3.46Å; D1386-K1550 IonicContact OD2-NZ 3.3Å; D1386-K1550 PolarHBondContact OD2-NZ 3.49Å; E1390-K1550 WeakPolarHBondContact OE1-CB 3.36Å; E1390-K1550 PolarHBondContact OE1-N 3.13Å
1551Q60.1Low64.3Low66 Ų6679.1 Ų79.131%0.30839%0.391SS..SBendtrans-77.9126.6165.4-57.9-164.55.500109.4C1549 I1553C1549-Q1551 VanDerWaalsContact C-N 3.31Å; C1549-Q1551 WeakPolarHBondContact CB-O 3.44Å; Q1551-I1553 VanDerWaalsContact C-N 3.29Å; Q1551-I1553 PolarHBondContact O-N 2.94Å
1552L52.3Low62.4Low178 Ų17887.4 Ų87.493%0.93242%0.424SS*.  trans-68.386.3170.6-91.3152.5000109.6D1554L1552-D1554 PolarHBondContact O-N 3.42Å
1553I61.8Low60.7Low11 Ų1188.8 Ų88.86%0.05643%0.434CS..  trans-69.398.3172.1-58.2171.1000107.5I1393 I1394 I1546 C1549 Q1551 I1555 F1558I1393-I1553 HydrophobicContact CG2-CD1 4.34Å; I1394-I1553 HydrophobicContact CD1-CD1 4.37Å; I1394-I1553 HydrophobicContact CG1-CD1 3.65Å; I1546-I1553 HydrophobicContact CG2-CB 4.37Å; C1549-I1553 HydrophobicContact CB-CD1 4.07Å; C1549-I1553 HydrophobicContact CB-CG1 4.49Å; Q1551-I1553 VanDerWaalsContact C-N 3.29Å; Q1551-I1553 PolarHBondContact O-N 2.94Å; I1553-I1555 PolarHBondContact O-N 3.41Å; I1553-F1558 HydrophobicContact CG2-CE2 3.85Å; I1553-F1558 HydrophobicContact CG2-CZ 3.64Å
1554D61.8Low58.8Low89 Ų8988.4 Ų88.448%0.47645%0.445SS..  trans-61.7118.3175.9-177.77.6000110.2L1552 N1556 L1557L1552-D1554 PolarHBondContact O-N 3.42Å; D1554-N1556 PolarHBondContact O-N 2.91Å; D1554-N1556 VanDerWaalsContact O-N 3.16Å; D1554-N1556 WeakPolarHBondContact OD1-CB 3.41Å; D1554-N1556 PolarHBondContact OD1-N 2.67Å; D1554-N1556 PolarHBondContact OD1-ND2 3.45Å; D1554-L1557 WeakPolarHBondContact O-CB 3.29Å; D1554-L1557 PolarHBondContact O-N 3.3Å
1555I56.1Low57.4Low74 Ų7484.4 Ų84.438%0.37943%0.427SS..Hα-helixtrans-61.1-24.9177.6-59.6174.8000110.7I1546 I1553 L1557I1546-I1555 HydrophobicContact CD1-CG1 4.41Å; I1546-I1555 HydrophobicContact CG2-CD1 4.34Å; I1546-I1555 HydrophobicContact CG2-CG1 4.07Å; I1553-I1555 PolarHBondContact O-N 3.41Å; I1555-L1557 PolarHBondContact O-N 3.08Å
1556N59.9Low55.5Low109 Ų10985.5 Ų85.558%0.58344%0.436SS*.Hα-helixtrans-70.1-17174.1-55.7-72.1000113.1D1554 N1559 A1560D1554-N1556 PolarHBondContact O-N 2.91Å; D1554-N1556 VanDerWaalsContact O-N 3.16Å; D1554-N1556 WeakPolarHBondContact OD1-CB 3.41Å; D1554-N1556 PolarHBondContact OD1-N 2.67Å; D1554-N1556 PolarHBondContact OD1-ND2 3.45Å; N1556-N1559 CarbonylContact O-C 3.45Å; N1556-N1559 VanDerWaalsContact O-CA 3.25Å; N1556-N1559 WeakPolarHBondContact O-CA 3.35Å; N1556-N1559 WeakPolarHBondContact O-CB 3.1Å; N1556-N1559 PolarHBondContact O-N 3.41Å; N1556-A1560 PolarHBondContact O-N 2.89Å
1557L63.1Low53.5Low41 Ų4187.5 Ų87.522%0.21545%0.447CS..Hα-helixtrans-64.9-40.8177.5-173.268.8000112.2L1342 D1554 I1555 N1559 A1560L1342-L1557 HydrophobicContact CB-CD2 3.88Å; L1342-L1557 HydrophobicContact CD2-CD2 3.54Å; L1342-L1557 HydrophobicContact CG-CD2 4.29Å; D1554-L1557 WeakPolarHBondContact O-CB 3.29Å; D1554-L1557 PolarHBondContact O-N 3.3Å; I1555-L1557 PolarHBondContact O-N 3.08Å; L1557-N1559 PolarHBondContact O-N 3Å; L1557-A1560 WeakPolarHBondContact O-CB 3.38Å; L1557-A1560 PolarHBondContact O-N 2.95Å
1558F61.6Low51.5Low16 Ų1683.3 Ų83.37%0.0743%0.427CS..Hα-helixtrans-64.1-25.9172.3-50.9-61.5000111.5G1397 M1398 K1402 I1553G1397-F1558 VanDerWaalsContact O-CD1 3.3Å; G1397-F1558 WeakPolarHBondContact O-CD1 3.49Å; M1398-F1558 HydrophobicContact SD-CD1 4.26Å; M1398-F1558 HydrophobicContact SD-CE1 3.96Å; K1402-F1558 PolarHBondContact N-O 3.02Å; I1553-F1558 HydrophobicContact CG2-CE2 3.85Å; I1553-F1558 HydrophobicContact CG2-CZ 3.64Å
1559N53.4Low49.8Very low87 Ų8777.2 Ų77.247%0.46541%0.41SS..THydrogen-bonded Turntrans-90.45.2174.5-84.1-57.5000114.8K1402 N1556 L1557K1402-N1559 WeakPolarHBondContact CD-O 3.48Å; K1402-N1559 WeakPolarHBondContact CE-O 3.43Å; K1402-N1559 VanDerWaalsContact CE-OD1 3.24Å; K1402-N1559 WeakPolarHBondContact CE-OD1 3.26Å; K1402-N1559 PolarHBondContact NZ-O 3.41Å; K1402-N1559 PolarHBondContact NZ-OD1 3.37Å; N1556-N1559 CarbonylContact O-C 3.45Å; N1556-N1559 VanDerWaalsContact O-CA 3.25Å; N1556-N1559 WeakPolarHBondContact O-CA 3.35Å; N1556-N1559 WeakPolarHBondContact O-CB 3.1Å; N1556-N1559 PolarHBondContact O-N 3.41Å; L1557-N1559 PolarHBondContact O-N 3Å
1560A48Very low48.3Very low29 Ų2977.2 Ų77.224%0.2441%0.409CS..  trans-55.3139.2-178.600000111.6K1402 N1556 L1557K1402-A1560 WeakPolarHBondContact CD-O 3.46Å; N1556-A1560 PolarHBondContact O-N 2.89Å; L1557-A1560 WeakPolarHBondContact O-CB 3.38Å; L1557-A1560 PolarHBondContact O-N 2.95Å
1561P42Very low47.4Very low118 Ų11872.8 Ų72.877%0.76640%0.395SS*.  trans-59.6156.6175.827.1-34.4000110.6S1563P1561-S1563 PolarHBondContact O-N 3.27Å
1562K44Very low46.2Very low192 Ų19269.7 Ų69.784%0.83538%0.38SS*.  trans-43.2115.2-170.7-67.1-179.5179-179.80111.8D1564K1562-D1564 PolarHBondContact O-N 3.19Å
1563S46.4Very low45.2Very low29 Ų2967.1 Ų67.120%0.20336%0.362CS..  trans-57.1118163.757.10000108.3N1403 P1561 L1565N1403-S1563 PolarHBondContact ND2-OG 3.14Å; P1561-S1563 PolarHBondContact O-N 3.27Å; S1563-L1565 VanDerWaalsContact C-N 3.3Å; S1563-L1565 PolarHBondContact O-N 3.01Å
1564D37.9Very low43.8Very low159 Ų15967.2 Ų67.285%0.8536%0.363SS*.  trans-6792.3174.6-85.1-34.3000109.5K1562 D1566K1562-D1564 PolarHBondContact O-N 3.19Å; D1564-D1566 PolarHBondContact O-N 3.03Å
1565L41.6Very low42.5Very low37 Ų3764.3 Ų64.319%0.19435%0.345CS..  trans-73.298.1178.3-173.672.1000108.5S1563 L1567 M1570 I1576S1563-L1565 VanDerWaalsContact C-N 3.3Å; S1563-L1565 PolarHBondContact O-N 3.01Å; L1565-L1567 VanDerWaalsContact C-N 3.28Å; L1565-L1567 HydrophobicContact CD2-CD1 3.73Å; L1565-L1567 HydrophobicContact CG-CD1 4.05Å; L1565-L1567 PolarHBondContact O-N 3.3Å; L1565-M1570 HydrophobicContact CD1-CE 4.09Å; L1565-M1570 HydrophobicContact CD1-CG 4.5Å; L1565-M1570 HydrophobicContact CD1-SD 3.98Å; L1565-M1570 HydrophobicContact CD2-CE 4.49Å; L1565-M1570 HydrophobicContact CD2-SD 3.78Å; L1565-M1570 HydrophobicContact CG-SD 3.94Å; L1565-I1576 HydrophobicContact CD2-CD1 3.4Å; L1565-I1576 VanDerWaalsContact CD2-CD1 3.4Å
1566D36.2Very low41.5Very low71 Ų7162.9 Ų62.938%0.3834%0.338SS..  trans-63.891.6175.1-170.8-27.4000110.2T1287 D1564 S1568 T1569 M1570T1287-D1566 HydrophobicContact CG2-CB 4.27Å; T1287-D1566 WeakPolarHBondContact CG2-OD2 3.44Å; D1564-D1566 PolarHBondContact O-N 3.03Å; D1566-S1568 PolarHBondContact O-N 3.15Å; D1566-S1568 VanDerWaalsContact OD1-CA 3.29Å; D1566-S1568 WeakPolarHBondContact OD1-CA 3.42Å; D1566-S1568 WeakPolarHBondContact OD1-CB 3.37Å; D1566-S1568 PolarHBondContact OD1-N 3.28Å; D1566-S1568 PolarHBondContact OD1-OG 3.45Å; D1566-T1569 PolarHBondContact O-N 3.31Å; D1566-T1569 PolarHBondContact O-OG1 2.98Å; D1566-M1570 PolarHBondContact O-N 3.27Å
1567L33.3Very low40.1Very low53 Ų5358.8 Ų58.828%0.27732%0.317SS..THydrogen-bonded Turntrans-63.1-0.4177.4-123.164.6000113.4L1565 M1570 K1573 I1576 V1577L1565-L1567 VanDerWaalsContact C-N 3.28Å; L1565-L1567 HydrophobicContact CD2-CD1 3.73Å; L1565-L1567 HydrophobicContact CG-CD1 4.05Å; L1565-L1567 PolarHBondContact O-N 3.3Å; L1567-M1570 HydrophobicContact CD1-SD 4.26Å; L1567-K1573 HydrophobicContact CG-CG 4.45Å; L1567-K1573 VanDerWaalsContact O-CD 3.25Å; L1567-K1573 WeakPolarHBondContact O-CD 3.23Å; L1567-K1573 VanDerWaalsContact O-CG 3.25Å; L1567-K1573 WeakPolarHBondContact O-CG 3.36Å; L1567-I1576 HydrophobicContact CD1-CD1 4.44Å; L1567-V1577 HydrophobicContact CD2-CG2 3.4Å; L1567-V1577 HydrophobicContact CG-CG2 4.3Å
1568S28.4Very low38.8Very low42 Ų4258.6 Ų58.629%0.29432%0.317SS..THydrogen-bonded Turntrans-87.7-41.2173.596.90000112R1010 D1566R1010-S1568 PolarHBondContact NH1-O 3.42Å; R1010-S1568 PolarHBondContact NH1-OG 3.03Å; R1010-S1568 PolarHBondContact NH2-O 2.82Å; R1010-S1568 PolarHBondContact NH2-OG 3.31Å; D1566-S1568 PolarHBondContact O-N 3.15Å; D1566-S1568 VanDerWaalsContact OD1-CA 3.29Å; D1566-S1568 WeakPolarHBondContact OD1-CA 3.42Å; D1566-S1568 WeakPolarHBondContact OD1-CB 3.37Å; D1566-S1568 PolarHBondContact OD1-N 3.28Å; D1566-S1568 PolarHBondContact OD1-OG 3.45Å
1569T34.5Very low37.6Very low51 Ų5160 Ų6031%0.31333%0.326SS..THydrogen-bonded Turntrans-80.3-2317830.30000113.5R1011 T1287 D1566 T1571R1011-T1569 VanDerWaalsContact NH2-C 3.3Å; R1011-T1569 PolarHBondContact NH2-O 3.43Å; T1287-T1569 VanDerWaalsContact CB-CG2 3.5Å; T1287-T1569 HydrophobicContact CG2-CG2 3.44Å; T1287-T1569 VanDerWaalsContact CG2-CG2 3.44Å; D1566-T1569 PolarHBondContact O-N 3.31Å; D1566-T1569 PolarHBondContact O-OG1 2.98Å; T1569-T1571 PolarHBondContact O-N 2.9Å
1570M33.1Very low36.5Very low16 Ų1658.4 Ų58.48%0.07933%0.325CS..  trans-57.5128.3171.6-72.2-152.711300111.9R1011 E1348 L1565 D1566 L1567 A1572 K1573R1011-M1570 PolarHBondContact NH2-O 2.99Å; E1348-M1570 HydrophobicContact CB-CE 3.8Å; E1348-M1570 HydrophobicContact CG-CE 4.06Å; E1348-M1570 WeakPolarHBondContact OE2-CA 3.33Å; L1565-M1570 HydrophobicContact CD1-CE 4.09Å; L1565-M1570 HydrophobicContact CD1-CG 4.5Å; L1565-M1570 HydrophobicContact CD1-SD 3.98Å; L1565-M1570 HydrophobicContact CD2-CE 4.49Å; L1565-M1570 HydrophobicContact CD2-SD 3.78Å; L1565-M1570 HydrophobicContact CG-SD 3.94Å; D1566-M1570 PolarHBondContact O-N 3.27Å; L1567-M1570 HydrophobicContact CD1-SD 4.26Å; M1570-A1572 HydrophobicContact CB-CB 4.12Å; M1570-A1572 HydrophobicContact CE-CB 3.7Å; M1570-A1572 HydrophobicContact CG-CB 4.49Å; M1570-A1572 HydrophobicContact SD-CB 3.86Å; M1570-K1573 PolarHBondContact O-N 3.39Å
1571T40.6Very low35.7Very low61 Ų6163.4 Ų63.437%0.37434%0.343SS..THydrogen-bonded Turntrans-69.3-29156.7-49.60000109.2R1011 T1569 K1573R1011-T1571 WeakPolarHBondContact CD-OG1 3.48Å; R1011-T1571 VanDerWaalsContact CZ-OG1 3.31Å; R1011-T1571 PolarHBondContact NE-OG1 3.35Å; T1569-T1571 PolarHBondContact O-N 2.9Å; T1571-K1573 PolarHBondContact O-N 3.43Å
1572A35Very low35.3Very low0 Ų062.9 Ų62.90%033%0.334CS..THydrogen-bonded Turntrans-69.825.7165.400000115.4M1570 S1574 W1575 L2153M1570-A1572 HydrophobicContact CB-CB 4.12Å; M1570-A1572 HydrophobicContact CE-CB 3.7Å; M1570-A1572 HydrophobicContact CG-CB 4.49Å; M1570-A1572 HydrophobicContact SD-CB 3.86Å; A1572-S1574 PolarHBondContact O-N 3.04Å; A1572-S1574 VanDerWaalsContact O-N 3.16Å; A1572-W1575 HydrophobicContact CB-CB 3.68Å; A1572-W1575 PolarHBondContact O-N 2.69Å; A1572-L2153 HydrophobicContact CB-CD1 3.66Å; A1572-L2153 HydrophobicContact CB-CG 4.18Å
1573K29.6Very low34.7Very low125 Ų12558.6 Ų58.654%0.54332%0.324SS..Hα-helixtrans-57.7-24.7164.3-165.8175.5-170.5-173.90110.9L1567 M1570 T1571 V1577L1567-K1573 HydrophobicContact CG-CG 4.45Å; L1567-K1573 VanDerWaalsContact O-CD 3.25Å; L1567-K1573 WeakPolarHBondContact O-CD 3.23Å; L1567-K1573 VanDerWaalsContact O-CG 3.25Å; L1567-K1573 WeakPolarHBondContact O-CG 3.36Å; M1570-K1573 PolarHBondContact O-N 3.39Å; T1571-K1573 PolarHBondContact O-N 3.43Å; K1573-V1577 HydrophobicContact CG-CG2 4.33Å; K1573-V1577 WeakPolarHBondContact O-CB 3.48Å; K1573-V1577 WeakPolarHBondContact O-CG2 3.46Å
1574S34.4Very low33.6Very low13 Ų1363.8 Ų63.89%0.09135%0.347CS..Hα-helixtrans-69-52164.542.70000113.4A1572 I1576 V1577 T1578 A2149A1572-S1574 PolarHBondContact O-N 3.04Å; A1572-S1574 VanDerWaalsContact O-N 3.16Å; S1574-I1576 VanDerWaalsContact C-N 3.26Å; S1574-I1576 CarbonylContact O-C 3.33Å; S1574-I1576 PolarHBondContact O-N 3.2Å; S1574-V1577 PolarHBondContact O-N 2.97Å; S1574-T1578 VanDerWaalsContact C-OG1 3.32Å; S1574-T1578 WeakPolarHBondContact CB-OG1 3.31Å; S1574-T1578 PolarHBondContact O-N 3.07Å; S1574-T1578 PolarHBondContact O-OG1 3.22Å; S1574-A2149 WeakPolarHBondContact CB-O 3.39Å; S1574-A2149 PolarHBondContact OG-O 3.1Å
1575W34.2Very low33.1Very low27 Ų2762 Ų6210%0.10234%0.336CS..Hα-helixtrans-46.2-41.1-167.3-159.377.2000115.8A1405 I1408 V1409 A1572 L2153A1405-W1575 VanDerWaalsContact CA-CZ3 3.45Å; A1405-W1575 HydrophobicContact CB-CE3 4.12Å; A1405-W1575 HydrophobicContact CB-CH2 4.04Å; A1405-W1575 HydrophobicContact CB-CZ3 3.34Å; I1408-W1575 HydrophobicContact CB-CH2 4.25Å; I1408-W1575 HydrophobicContact CD1-CH2 4.19Å; I1408-W1575 HydrophobicContact CG2-CH2 4.27Å; I1408-W1575 HydrophobicContact CG2-CZ2 4.35Å; V1409-W1575 HydrophobicContact CG2-CZ2 4.44Å; A1572-W1575 HydrophobicContact CB-CB 3.68Å; A1572-W1575 PolarHBondContact O-N 2.69Å; W1575-L2153 PolarHBondContact NE1-O 3.02Å
1576I34.7Very low32.2Very low45 Ų4565.6 Ų65.623%0.23136%0.362CS..Hα-helixtrans-90.7-44.4171.7-57.7-173.3000111.8A1405 L1565 L1567 S1574 N1579 A1580A1405-I1576 HydrophobicContact CB-CD1 4.3Å; L1565-I1576 HydrophobicContact CD2-CD1 3.4Å; L1565-I1576 VanDerWaalsContact CD2-CD1 3.4Å; L1567-I1576 HydrophobicContact CD1-CD1 4.44Å; S1574-I1576 VanDerWaalsContact C-N 3.26Å; S1574-I1576 CarbonylContact O-C 3.33Å; S1574-I1576 PolarHBondContact O-N 3.2Å; I1576-N1579 PolarHBondContact O-N 2.88Å; I1576-A1580 WeakPolarHBondContact O-CB 3.43Å; I1576-A1580 PolarHBondContact O-N 3.41Å
1577V30.4Very low31.8Very low22 Ų2271.3 Ų71.313%0.13338%0.379CS..Hα-helixtrans-77.1-38.2-169.2-169.30000113.3L1567 K1573 S1574 N1579 A1580 E1581L1567-V1577 HydrophobicContact CD2-CG2 3.4Å; L1567-V1577 HydrophobicContact CG-CG2 4.3Å; K1573-V1577 HydrophobicContact CG-CG2 4.33Å; K1573-V1577 WeakPolarHBondContact O-CB 3.48Å; K1573-V1577 WeakPolarHBondContact O-CG2 3.46Å; S1574-V1577 PolarHBondContact O-N 2.97Å; V1577-N1579 PolarHBondContact O-N 3.28Å; V1577-A1580 CarbonylContact O-C 3.23Å; V1577-A1580 PolarHBondContact O-N 3.35Å; V1577-E1581 HydrophobicContact CG1-CB 3.97Å; V1577-E1581 HydrophobicContact CG1-CG 3.49Å; V1577-E1581 VanDerWaalsContact CG1-CG 3.49Å; V1577-E1581 WeakPolarHBondContact CG1-OE1 3.48Å; V1577-E1581 WeakPolarHBondContact CG1-OE2 3.24Å; V1577-E1581 PolarHBondContact O-N 3.39Å
1578T36.2Very low31.7Very low37 Ų3775.8 Ų75.823%0.22740%0.398CS..THydrogen-bonded Turntrans-69.5-13.8174.949.20000113.2S1574 N1582S1574-T1578 VanDerWaalsContact C-OG1 3.32Å; S1574-T1578 WeakPolarHBondContact CB-OG1 3.31Å; S1574-T1578 PolarHBondContact O-N 3.07Å; S1574-T1578 PolarHBondContact O-OG1 3.22Å; T1578-N1582 WeakPolarHBondContact O-CB 3.33Å; T1578-N1582 PolarHBondContact O-ND2 3.39Å
1579N35.8Very low31.8Very low45 Ų4582.3 Ų82.324%0.24142%0.418CS..THydrogen-bonded Turntrans-92.8-0.4169.9-70.711.2000113.3S1457 I1576 V1577S1457-N1579 PolarHBondContact OG-O 3.08Å; I1576-N1579 PolarHBondContact O-N 2.88Å; V1577-N1579 PolarHBondContact O-N 3.28Å
1580A30.8Very low31.7Very low54 Ų5486.1 Ų86.145%0.44644%0.436SS..THydrogen-bonded Turntrans-129.6-29.5-176.300000115.2I1576 V1577 T1583I1576-A1580 WeakPolarHBondContact O-CB 3.43Å; I1576-A1580 PolarHBondContact O-N 3.41Å; V1577-A1580 CarbonylContact O-C 3.23Å; V1577-A1580 PolarHBondContact O-N 3.35Å; A1580-T1583 PolarHBondContact O-OG1 2.87Å; A1580-T1583 VanDerWaalsContact O-OG1 3.07Å
1581E31Very low32.2Very low135 Ų13589.7 Ų89.763%0.63146%0.455SS*.THydrogen-bonded Turntrans-94.2-24.8176.5-79.9-177.6-174.600112.9V1577 T1583 M1584V1577-E1581 HydrophobicContact CG1-CB 3.97Å; V1577-E1581 HydrophobicContact CG1-CG 3.49Å; V1577-E1581 VanDerWaalsContact CG1-CG 3.49Å; V1577-E1581 WeakPolarHBondContact CG1-OE1 3.48Å; V1577-E1581 WeakPolarHBondContact CG1-OE2 3.24Å; V1577-E1581 PolarHBondContact O-N 3.39Å; E1581-T1583 PolarHBondContact O-N 3.04Å; E1581-T1583 VanDerWaalsContact O-N 3.11Å; E1581-M1584 WeakPolarHBondContact O-CB 3.43Å; E1581-M1584 PolarHBondContact O-N 3.47Å
1582N33.5Very low32.5Very low107 Ų10790.7 Ų90.757%0.57246%0.459SS*.THydrogen-bonded Turntrans-67.5-10.6177.9-80-31.1000113.5T1578T1578-N1582 WeakPolarHBondContact O-CB 3.33Å; T1578-N1582 PolarHBondContact O-ND2 3.39Å
1583T30.6Very low32.7Very low101 Ų10193.8 Ų93.862%0.6247%0.474SS*.THydrogen-bonded Turntrans-87.1-4170.247.90000113.7A1580 E1581 I1585A1580-T1583 PolarHBondContact O-OG1 2.87Å; A1580-T1583 VanDerWaalsContact O-OG1 3.07Å; E1581-T1583 PolarHBondContact O-N 3.04Å; E1581-T1583 VanDerWaalsContact O-N 3.11Å; T1583-I1585 PolarHBondContact O-N 2.78Å
1584M23.3Very low34.2Very low138 Ų13892.5 Ų92.568%0.6847%0.473SS*.  trans-74.641.5175.1-82.8-85.7167.700113.7E1581 P1586E1581-M1584 WeakPolarHBondContact O-CB 3.43Å; E1581-M1584 PolarHBondContact O-N 3.47Å; M1584-P1586 WeakPolarHBondContact O-CD 3.44Å
1585I27.5Very low35.9Very low123 Ų12398.9 Ų98.963%0.63150%0.495SS*.SBendtrans-95.6103.3157.8-54.6-179.5000106.2T1583 Y1587T1583-I1585 PolarHBondContact O-N 2.78Å; I1585-Y1587 HydrophobicContact CG2-CD2 4.03Å; I1585-Y1587 HydrophobicContact CG2-CE2 4.46Å; I1585-Y1587 PolarHBondContact O-N 2.66Å
1586P24Very low38Very low112 Ų11298.7 Ų98.773%0.72750%0.497SS*.  trans-7781.5-165.730.7-36.9000113.3M1584M1584-P1586 WeakPolarHBondContact O-CD 3.44Å
1587Y27.3Very low40.3Very low190 Ų19097.5 Ų97.575%0.74549%0.491SS*.SBendtrans-136.7123.8168.5-72.5-68000111.2I1585I1585-Y1587 HydrophobicContact CG2-CD2 4.03Å; I1585-Y1587 HydrophobicContact CG2-CE2 4.46Å; I1585-Y1587 PolarHBondContact O-N 2.66Å
1588H30.7Very low42.8Very low148 Ų148100.3 Ų100.369%0.68550%0.502SS*.  trans54.962.2168-71.2-85.7000117.8N1590 D1591H1588-N1590 PolarHBondContact O-N 3.47Å; H1588-D1591 PolarHBondContact O-N 3.32Å
1589Y30.7Very low45.1Very low179 Ų17998.7 Ų98.770%0.70249%0.493SS*.Hα-helixtrans-51.3-18.7175.7-127.8-85.5000116.6
1590N33.1Very low47.5Very low131 Ų13196.6 Ų96.670%0.70148%0.481SS*.Hα-helixtrans-91.1-17.8-174.7-65.930.1000114.1H1588 N1594H1588-N1590 PolarHBondContact O-N 3.47Å; N1590-N1594 PolarHBondContact O-ND2 3.42Å
1591D43.9Very low50.3Low90 Ų9094.7 Ų94.748%0.48146%0.463SS..Hα-helixtrans-82.7-32.5-176.7-91.214.1000112.4H1588 R1595H1588-D1591 PolarHBondContact O-N 3.32Å; D1591-R1595 WeakPolarHBondContact O-CG 3.36Å; D1591-R1595 IonicContact OD2-NH2 2.73Å
1592D46.1Very low52.9Low83 Ų8388.9 Ų88.944%0.44444%0.436SS..Hα-helixtrans-81.8-29-172.5-77.6-25.7000114.2N1594 R1595 T1596D1592-N1594 VanDerWaalsContact C-N 3.33Å; D1592-N1594 PolarHBondContact O-N 3.12Å; D1592-R1595 WeakPolarHBondContact O-CA 3.38Å; D1592-R1595 WeakPolarHBondContact O-CB 3.45Å; D1592-R1595 PolarHBondContact O-N 2.83Å; D1592-R1595 WeakPolarHBondContact OD1-CD 3.44Å; D1592-R1595 IonicContact OD1-CZ 3.72Å; D1592-R1595 IonicContact OD1-NE 3.5Å; D1592-R1595 IonicContact OD1-NH1 2.63Å; D1592-R1595 PolarHBondContact OD1-NH1 3.48Å; D1592-T1596 PolarHBondContact O-N 3.34Å; D1592-T1596 VanDerWaalsContact O-N 3.12Å
1593M39.6Very low55.6Low65 Ų6584 Ų8432%0.3241%0.41SS..Hα-helixtrans-63.7-39.1175-57.9-59.5-7400111.7D1453 M1455 R1595 T1596D1453-M1593 VanDerWaalsContact O-CE 3.28Å; D1453-M1593 WeakPolarHBondContact O-CE 3.45Å; M1455-M1593 WeakPolarHBondContact O-CE 2.99Å; M1593-R1595 PolarHBondContact O-N 3.42Å; M1593-T1596 PolarHBondContact O-N 2.88Å; M1593-T1596 PolarHBondContact O-OG1 3.14Å
1594N59.9Low58.4Low97 Ų9779.2 Ų79.252%0.51938%0.381SS..Hα-helixtrans-64.9-26.7172.9-75.9-70.3000112.4N1590 D1592 E1598N1590-N1594 PolarHBondContact O-ND2 3.42Å; D1592-N1594 VanDerWaalsContact C-N 3.33Å; D1592-N1594 PolarHBondContact O-N 3.12Å; N1594-E1598 WeakPolarHBondContact O-CB 3.41Å; N1594-E1598 VanDerWaalsContact O-CG 3.26Å; N1594-E1598 WeakPolarHBondContact O-CG 3.43Å; N1594-E1598 PolarHBondContact O-N 2.91Å
1595R71.2Confident61.5Low147 Ų14775.1 Ų75.156%0.55536%0.36SS*.Hα-helixtrans-81-27.9179.5-67.9170-176.1171.20113.6D1591 D1592 M1593 S1599D1591-R1595 WeakPolarHBondContact O-CG 3.36Å; D1591-R1595 IonicContact OD2-NH2 2.73Å; D1592-R1595 WeakPolarHBondContact O-CA 3.38Å; D1592-R1595 WeakPolarHBondContact O-CB 3.45Å; D1592-R1595 PolarHBondContact O-N 2.83Å; D1592-R1595 WeakPolarHBondContact OD1-CD 3.44Å; D1592-R1595 IonicContact OD1-CZ 3.72Å; D1592-R1595 IonicContact OD1-NE 3.5Å; D1592-R1595 IonicContact OD1-NH1 2.63Å; D1592-R1595 PolarHBondContact OD1-NH1 3.48Å; M1593-R1595 PolarHBondContact O-N 3.42Å; R1595-S1599 WeakPolarHBondContact O-CB 3.27Å; R1595-S1599 PolarHBondContact O-N 3.25Å; R1595-S1599 VanDerWaalsContact O-N 3.09Å
1596T78.8Confident64.4Low23 Ų2370 Ų7014%0.14133%0.334CS..Hα-helixtrans-68.3-49.6176.451.20000110.7K1460 D1592 M1593 S1599 V1600K1460-T1596 HydrophobicContact CD-CG2 4.44Å; D1592-T1596 PolarHBondContact O-N 3.34Å; D1592-T1596 VanDerWaalsContact O-N 3.12Å; M1593-T1596 PolarHBondContact O-N 2.88Å; M1593-T1596 PolarHBondContact O-OG1 3.14Å; T1596-S1599 PolarHBondContact O-N 2.82Å; T1596-V1600 PolarHBondContact O-N 3.48Å
1597M82.7Confident67.5Low21 Ų2164.7 Ų64.710%0.10330%0.299CS..Hα-helixtrans-61-49.5175.8178.2178.754.100112.6W1447 L1452 M1455 S1599 V1600 R1601W1447-M1597 HydrophobicContact CH2-CG 4.13Å; L1452-M1597 HydrophobicContact CB-SD 4.07Å; L1452-M1597 HydrophobicContact CD1-SD 4.09Å; L1452-M1597 HydrophobicContact CD2-SD 4.48Å; L1452-M1597 HydrophobicContact CG-SD 4.45Å; M1455-M1597 HydrophobicContact SD-CB 4.33Å; M1597-S1599 PolarHBondContact O-N 2.64Å; M1597-V1600 PolarHBondContact O-N 3.45Å; M1597-R1601 PolarHBondContact O-N 3.21Å; M1597-R1601 PolarHBondContact SD-NH2 3.27Å; M1597-R1601 VanDerWaalsContact SD-NH2 3.41Å
1598E82.1Confident70.2Confident80 Ų8056.7 Ų56.737%0.37427%0.269SS..Hα-helixtrans-64.8-27.8-179.9-75.7-67.9110.500113N1594 R1601 L1602N1594-E1598 WeakPolarHBondContact O-CB 3.41Å; N1594-E1598 VanDerWaalsContact O-CG 3.26Å; N1594-E1598 WeakPolarHBondContact O-CG 3.43Å; N1594-E1598 PolarHBondContact O-N 2.91Å; E1598-R1601 WeakPolarHBondContact OE1-CD 3.4Å; E1598-R1601 IonicContact OE1-CZ 2.73Å; E1598-R1601 IonicContact OE1-NE 2.79Å; E1598-R1601 IonicContact OE1-NH1 3.6Å; E1598-R1601 PolarHBondContact OE1-NH1 3.47Å; E1598-L1602 WeakPolarHBondContact O-CB 3.43Å; E1598-L1602 WeakPolarHBondContact O-CG 3.25Å; E1598-L1602 PolarHBondContact O-N 3.29Å
1599S83.7Confident72.6Confident4 Ų450.4 Ų50.43%0.02824%0.242CC..Hα-helixtrans-69.4-40.9174.1-179.80000112.2K1460 H1464 R1595 T1596 M1597 L1602 A1603 E2195K1460-S1599 WeakPolarHBondContact CE-OG 3.37Å; K1460-S1599 PolarHBondContact NZ-OG 3Å; H1464-S1599 PolarHBondContact CE1-OG 3.16Å; H1464-S1599 PolarHBondContact NE2-OG 2.85Å; R1595-S1599 WeakPolarHBondContact O-CB 3.27Å; R1595-S1599 PolarHBondContact O-N 3.25Å; R1595-S1599 VanDerWaalsContact O-N 3.09Å; T1596-S1599 PolarHBondContact O-N 2.82Å; M1597-S1599 PolarHBondContact O-N 2.64Å; S1599-L1602 WeakPolarHBondContact O-CB 3.29Å; S1599-L1602 PolarHBondContact O-N 2.64Å; S1599-A1603 PolarHBondContact O-N 3.42Å; S1599-E2195 WeakPolarHBondContact CB-OE1 3.5Å; S1599-E2195 PolarHBondContact OG-OE1 3.34Å
1600V88Confident75Confident0 Ų042 Ų420%021%0.209CC..Hα-helixtrans-66.5-39.41741780000111.5W1447 M1455 K1460 F1463 I1467 I1511 T1596 M1597 L1602 A1603 A1604W1447-V1600 HydrophobicContact CE3-CG1 4.27Å; W1447-V1600 HydrophobicContact CH2-CB 4.4Å; W1447-V1600 HydrophobicContact CH2-CG1 4.21Å; W1447-V1600 HydrophobicContact CZ3-CB 4.05Å; W1447-V1600 HydrophobicContact CZ3-CG1 3.61Å; M1455-V1600 HydrophobicContact CE-CB 4.44Å; M1455-V1600 HydrophobicContact CE-CG2 3.51Å; K1460-V1600 HydrophobicContact CG-CG2 4.23Å; F1463-V1600 HydrophobicContact CB-CB 4.44Å; F1463-V1600 HydrophobicContact CB-CG1 3.61Å; F1463-V1600 HydrophobicContact CB-CG2 3.87Å; F1463-V1600 HydrophobicContact CD2-CG2 4.46Å; F1463-V1600 HydrophobicContact CG-CG1 4.11Å; I1467-V1600 HydrophobicContact CD1-CG1 3.99Å; I1511-V1600 HydrophobicContact CG2-CG1 4.42Å; T1596-V1600 PolarHBondContact O-N 3.48Å; M1597-V1600 PolarHBondContact O-N 3.45Å; V1600-L1602 VanDerWaalsContact C-N 3.34Å; V1600-L1602 PolarHBondContact O-N 2.8Å; V1600-A1603 WeakPolarHBondContact O-CB 3.49Å; V1600-A1603 PolarHBondContact O-N 3.14Å; V1600-A1604 PolarHBondContact O-N 2.86Å
1601R88Confident77.4Confident15 Ų1536.1 Ų36.16%0.05718%0.177CC..Hα-helixtrans-60.9-42171.9-72.4178.8176.31491.3111.9N1514 M1597 E1598 A1604 Q1605N1514-R1601 PolarHBondContact O-NH2 2.93Å; M1597-R1601 PolarHBondContact O-N 3.21Å; M1597-R1601 PolarHBondContact SD-NH2 3.27Å; M1597-R1601 VanDerWaalsContact SD-NH2 3.41Å; E1598-R1601 WeakPolarHBondContact OE1-CD 3.4Å; E1598-R1601 IonicContact OE1-CZ 2.73Å; E1598-R1601 IonicContact OE1-NE 2.79Å; E1598-R1601 IonicContact OE1-NH1 3.6Å; E1598-R1601 PolarHBondContact OE1-NH1 3.47Å; R1601-A1604 PolarHBondContact O-N 3.26Å; R1601-Q1605 WeakPolarHBondContact O-CG 3.42Å; R1601-Q1605 PolarHBondContact O-N 3.14Å
1602L86.2Confident78.8Confident12 Ų1236 Ų366%0.06318%0.176CC..Hα-helixtrans-63-38.3173.7-83.3169.7000112.8E1598 S1599 V1600 Q1605 M1606 L1765 Y2194 A2198E1598-L1602 WeakPolarHBondContact O-CB 3.43Å; E1598-L1602 WeakPolarHBondContact O-CG 3.25Å; E1598-L1602 PolarHBondContact O-N 3.29Å; S1599-L1602 WeakPolarHBondContact O-CB 3.29Å; S1599-L1602 PolarHBondContact O-N 2.64Å; V1600-L1602 VanDerWaalsContact C-N 3.34Å; V1600-L1602 PolarHBondContact O-N 2.8Å; L1602-Q1605 PolarHBondContact O-N 3.32Å; L1602-M1606 WeakPolarHBondContact O-CB 3.24Å; L1602-M1606 PolarHBondContact O-N 3.2Å; L1602-L1765 HydrophobicContact CD2-CD1 4.07Å; L1602-L1765 HydrophobicContact CD2-CD2 4.34Å; L1602-Y2194 HydrophobicContact CB-CD2 4.19Å; L1602-Y2194 HydrophobicContact CB-CE2 4.1Å; L1602-A2198 HydrophobicContact CD1-CB 4.2Å; L1602-A2198 HydrophobicContact CD2-CB 3.57Å
1603A89.9Confident79.9Confident5 Ų532.6 Ų32.64%0.04116%0.158CC..Hα-helixtrans-63.5-42.5173.700000111.4I1467 S1599 V1600 M1606 A1607 Y2194I1467-A1603 HydrophobicContact CD1-CB 3.98Å; I1467-A1603 HydrophobicContact CG2-CB 4.34Å; S1599-A1603 PolarHBondContact O-N 3.42Å; V1600-A1603 WeakPolarHBondContact O-CB 3.49Å; V1600-A1603 PolarHBondContact O-N 3.14Å; A1603-M1606 PolarHBondContact O-N 3.11Å; A1603-A1607 WeakPolarHBondContact O-CB 3.47Å; A1603-A1607 PolarHBondContact O-N 2.92Å; A1603-Y2194 HydrophobicContact CB-CE2 4.2Å
1604A90.8Very high81.4Confident0 Ų029.8 Ų29.80%014%0.144CC..Hα-helixtrans-66.9-38.8176.200000112.7I1467 L1508 I1511 I1512 V1600 R1601 A1607 M1608I1467-A1604 HydrophobicContact CD1-CB 4.23Å; L1508-A1604 HydrophobicContact CD2-CB 3.94Å; I1511-A1604 HydrophobicContact CB-CB 4.32Å; I1511-A1604 HydrophobicContact CG2-CB 3.91Å; I1512-A1604 HydrophobicContact CD1-CB 4.23Å; I1512-A1604 HydrophobicContact CG1-CB 3.86Å; V1600-A1604 PolarHBondContact O-N 2.86Å; R1601-A1604 PolarHBondContact O-N 3.26Å; A1604-A1607 PolarHBondContact O-N 2.75Å; A1604-M1608 PolarHBondContact O-N 3.49Å
1605Q87Confident81.9Confident53 Ų5326.2 Ų26.225%0.24813%0.125CC..Hα-helixtrans-63.4-45.7172.2-72176.2-19.300111.4I1512 R1601 L1602 A1607 M1608 S1609 L1765I1512-Q1605 HydrophobicContact CD1-CB 4.44Å; I1512-Q1605 HydrophobicContact CD1-CG 3.76Å; I1512-Q1605 HydrophobicContact CG1-CG 3.82Å; I1512-Q1605 HydrophobicContact CG2-CG 3.96Å; R1601-Q1605 WeakPolarHBondContact O-CG 3.42Å; R1601-Q1605 PolarHBondContact O-N 3.14Å; L1602-Q1605 PolarHBondContact O-N 3.32Å; Q1605-A1607 PolarHBondContact O-N 3.06Å; Q1605-M1608 PolarHBondContact O-N 2.89Å; Q1605-S1609 PolarHBondContact O-N 3.04Å; Q1605-S1609 PolarHBondContact O-OG 3.41Å; Q1605-S1609 VanDerWaalsContact O-OG 3.12Å; Q1605-L1765 HydrophobicContact CB-CD1 3.49Å; Q1605-L1765 VanDerWaalsContact CB-CD1 3.49Å
1606M88.5Confident81.6Confident16 Ų1625 Ų258%0.07913%0.129CC..Hα-helixtrans-60.1-45.5175.7179.6-84.4171.600111.2I1471 L1602 A1603 M1608 S1609 H1610 L1765 Y2194I1471-M1606 HydrophobicContact CD1-SD 4.12Å; L1602-M1606 WeakPolarHBondContact O-CB 3.24Å; L1602-M1606 PolarHBondContact O-N 3.2Å; A1603-M1606 PolarHBondContact O-N 3.11Å; M1606-M1608 VanDerWaalsContact C-N 3.33Å; M1606-M1608 PolarHBondContact O-N 3.03Å; M1606-S1609 PolarHBondContact O-N 2.78Å; M1606-H1610 HydrophobicContact CE-CB 4.14Å; M1606-H1610 VanDerWaalsContact O-CB 3.23Å; M1606-H1610 WeakPolarHBondContact O-CB 3.38Å; M1606-H1610 PolarHBondContact O-N 3Å; M1606-H1610 HydrophobicContact SD-CB 4.38Å; M1606-L1765 HydrophobicContact CB-CB 4.13Å; M1606-L1765 HydrophobicContact CG-CB 4.46Å; M1606-Y2194 HydrophobicContact CB-CD1 4.42Å; M1606-Y2194 HydrophobicContact CB-CD2 4.36Å; M1606-Y2194 HydrophobicContact CB-CG 4.04Å; M1606-Y2194 HydrophobicContact CG-CD1 4.08Å; M1606-Y2194 HydrophobicContact CG-CG 3.98Å
1607A88.6Confident80.4Confident0 Ų026.2 Ų26.20%013%0.133CC..Hα-helixtrans-56.9-45.717600000112I1467 I1471 L1508 A1603 A1604 Q1605 H1610 L1611I1467-A1607 HydrophobicContact CG2-CB 3.66Å; I1471-A1607 HydrophobicContact CD1-CB 3.73Å; I1471-A1607 HydrophobicContact CG1-CB 3.77Å; L1508-A1607 HydrophobicContact CD1-CB 4.09Å; L1508-A1607 HydrophobicContact CD2-CB 4.18Å; A1603-A1607 WeakPolarHBondContact O-CB 3.47Å; A1603-A1607 PolarHBondContact O-N 2.92Å; A1604-A1607 PolarHBondContact O-N 2.75Å; Q1605-A1607 PolarHBondContact O-N 3.06Å; A1607-H1610 WeakPolarHBondContact O-CB 3.27Å; A1607-H1610 PolarHBondContact O-N 3.25Å; A1607-L1611 WeakPolarHBondContact O-CG 3.2Å; A1607-L1611 PolarHBondContact O-N 3.02Å
1608M84.6Confident78.9Confident22 Ų2227.9 Ų27.911%0.10814%0.14CC..Hα-helixtrans-65.2-45.7178-169.9179.6-68.400112.1I1505 L1508 C1509 I1512 A1604 Q1605 M1606 H1610 L1611 L1612I1505-M1608 HydrophobicContact CG2-CE 4.43Å; L1508-M1608 HydrophobicContact CB-CE 3.64Å; L1508-M1608 HydrophobicContact CD1-CB 4.49Å; C1509-M1608 HydrophobicContact CB-CE 4.25Å; C1509-M1608 WeakPolarHBondContact SG-CE 3.24Å; I1512-M1608 HydrophobicContact CD1-CE 3.72Å; I1512-M1608 HydrophobicContact CD1-SD 4.35Å; A1604-M1608 PolarHBondContact O-N 3.49Å; Q1605-M1608 PolarHBondContact O-N 2.89Å; M1606-M1608 VanDerWaalsContact C-N 3.33Å; M1606-M1608 PolarHBondContact O-N 3.03Å; M1608-H1610 VanDerWaalsContact C-N 3.27Å; M1608-H1610 PolarHBondContact O-N 3.18Å; M1608-L1611 PolarHBondContact O-N 2.87Å; M1608-L1612 HydrophobicContact CG-CD1 4.14Å; M1608-L1612 WeakPolarHBondContact O-CB 3.44Å; M1608-L1612 VanDerWaalsContact O-CG 3.26Å; M1608-L1612 WeakPolarHBondContact O-CG 3.36Å; M1608-L1612 PolarHBondContact O-N 3.31Å
1609S80.5Confident77.2Confident16 Ų1626.4 Ų26.411%0.11214%0.138CC..Hα-helixtrans-59.4-39172.4-56.80000111.7Q1605 M1606 L1612 N1613Q1605-S1609 PolarHBondContact O-N 3.04Å; Q1605-S1609 PolarHBondContact O-OG 3.41Å; Q1605-S1609 VanDerWaalsContact O-OG 3.12Å; M1606-S1609 PolarHBondContact O-N 2.78Å; S1609-L1612 PolarHBondContact O-N 3.04Å; S1609-N1613 WeakPolarHBondContact O-CB 3.48Å; S1609-N1613 PolarHBondContact O-N 3.11Å; S1609-N1613 PolarHBondContact O-ND2 2.79Å
1610H81.8Confident75.2Confident2 Ų228 Ų281%0.00915%0.145CC..Hα-helixtrans-66.5-48.2-179.1-167.483.5000111.8I1471 M1606 A1607 M1608 L1612 N1613 H1614 S2076I1471-H1610 VanDerWaalsContact CG2-CD2 3.47Å; I1471-H1610 WeakPolarHBondContact CG2-CD2 3.41Å; M1606-H1610 HydrophobicContact CE-CB 4.14Å; M1606-H1610 VanDerWaalsContact O-CB 3.23Å; M1606-H1610 WeakPolarHBondContact O-CB 3.38Å; M1606-H1610 PolarHBondContact O-N 3Å; M1606-H1610 HydrophobicContact SD-CB 4.38Å; A1607-H1610 WeakPolarHBondContact O-CB 3.27Å; A1607-H1610 PolarHBondContact O-N 3.25Å; M1608-H1610 VanDerWaalsContact C-N 3.27Å; M1608-H1610 PolarHBondContact O-N 3.18Å; H1610-L1612 VanDerWaalsContact C-N 3.33Å; H1610-L1612 PolarHBondContact O-N 3.36Å; H1610-N1613 PolarHBondContact O-N 3Å; H1610-H1614 AromaticContact CE1-CD2 3.49Å; H1610-H1614 PolarHBondContact CE1-CD2 3.43Å; H1610-H1614 VanDerWaalsContact CE1-CD2 3.49Å; H1610-H1614 AromaticContact CE1-CE1 3.58Å; H1610-H1614 AromaticContact CE1-CG 3.74Å; H1610-H1614 AromaticContact CE1-ND1 3.81Å; H1610-H1614 AromaticContact CE1-NE2 3.39Å; H1610-H1614 PolarHBondContact CE1-NE2 3.25Å; H1610-H1614 AromaticContact CG-CD2 3.97Å; H1610-H1614 AromaticContact ND1-CD2 3.58Å; H1610-H1614 AromaticContact ND1-NE2 3.51Å; H1610-H1614 AromaticContact NE2-CD2 3.87Å; H1610-H1614 AromaticContact NE2-CG 3.81Å; H1610-H1614 WeakPolarHBondContact O-CB 3.47Å; H1610-H1614 PolarHBondContact O-CD2 3.16Å; H1610-H1614 PolarHBondContact O-N 3.13Å; H1610-S2076 PolarHBondContact CE1-O 3.17Å; H1610-S2076 VanDerWaalsContact CE1-O 3.25Å; H1610-S2076 WeakPolarHBondContact NE2-CB 3.47Å; H1610-S2076 PolarHBondContact NE2-OG 3.16Å
1611L82.7Confident72.7Confident8 Ų831.5 Ų31.54%0.04217%0.17CC..Hα-helixtrans-61.9-41176.1-63.6173.6000111.3M1475 I1504 L1508 A1607 M1608 N1613 L1615M1475-L1611 HydrophobicContact CG-CD2 4.44Å; M1475-L1611 HydrophobicContact SD-CD2 4.25Å; I1504-L1611 HydrophobicContact CG2-CD1 3.99Å; L1508-L1611 HydrophobicContact CD1-CD1 4.26Å; A1607-L1611 WeakPolarHBondContact O-CG 3.2Å; A1607-L1611 PolarHBondContact O-N 3.02Å; M1608-L1611 PolarHBondContact O-N 2.87Å; L1611-N1613 VanDerWaalsContact C-N 3.33Å; L1611-N1613 PolarHBondContact O-N 2.79Å; L1611-L1615 HydrophobicContact CB-CD1 4.43Å; L1611-L1615 HydrophobicContact CD2-CD1 4.25Å; L1611-L1615 WeakPolarHBondContact O-CB 3.44Å; L1611-L1615 PolarHBondContact O-N 2.81Å
1612L73.9Confident70Confident87 Ų8735.9 Ų35.946%0.45519%0.189SC..Hα-helixtrans-67.2-26.6177.7-70.6169.3000114.6M1608 S1609 H1610M1608-L1612 HydrophobicContact CG-CD1 4.14Å; M1608-L1612 WeakPolarHBondContact O-CB 3.44Å; M1608-L1612 VanDerWaalsContact O-CG 3.26Å; M1608-L1612 WeakPolarHBondContact O-CG 3.36Å; M1608-L1612 PolarHBondContact O-N 3.31Å; S1609-L1612 PolarHBondContact O-N 3.04Å; H1610-L1612 VanDerWaalsContact C-N 3.33Å; H1610-L1612 PolarHBondContact O-N 3.36Å
1613N70.5Confident67.6Low11 Ų1142.8 Ų42.86%0.05922%0.221CC..Hα-helixtrans-100.2-15.1-178.6-72.7-70.9000114.7S1609 H1610 L1611 V1625 D1764 Y1769S1609-N1613 WeakPolarHBondContact O-CB 3.48Å; S1609-N1613 PolarHBondContact O-N 3.11Å; S1609-N1613 PolarHBondContact O-ND2 2.79Å; H1610-N1613 PolarHBondContact O-N 3Å; L1611-N1613 VanDerWaalsContact C-N 3.33Å; L1611-N1613 PolarHBondContact O-N 2.79Å; N1613-V1625 WeakPolarHBondContact O-CG1 3.1Å; N1613-D1764 PolarHBondContact ND2-OD2 3.45Å; N1613-Y1769 HydrophobicContact CB-CD1 4.43Å; N1613-Y1769 HydrophobicContact CB-CD2 3.99Å; N1613-Y1769 HydrophobicContact CB-CE1 4.16Å; N1613-Y1769 HydrophobicContact CB-CE2 3.69Å; N1613-Y1769 HydrophobicContact CB-CG 4.33Å; N1613-Y1769 VanDerWaalsContact CG-CD2 3.47Å; N1613-Y1769 WeakPolarHBondContact ND2-CE2 3.39Å; N1613-Y1769 VanDerWaalsContact OD1-CD2 3.32Å; N1613-Y1769 WeakPolarHBondContact OD1-CD2 3.49Å
1614H70.2Confident65.2Low6 Ų645.3 Ų45.33%0.02824%0.238CC..Hα-helixtrans-123-24.2-172.8-67.2-110.7000115.2M1475 H1610 D1616 Q1617 F1618 Y1769M1475-H1614 HydrophobicContact CE-CB 3.7Å; M1475-H1614 HydrophobicContact SD-CB 3.87Å; H1610-H1614 AromaticContact CE1-CD2 3.49Å; H1610-H1614 PolarHBondContact CE1-CD2 3.43Å; H1610-H1614 VanDerWaalsContact CE1-CD2 3.49Å; H1610-H1614 AromaticContact CE1-CE1 3.58Å; H1610-H1614 AromaticContact CE1-CG 3.74Å; H1610-H1614 AromaticContact CE1-ND1 3.81Å; H1610-H1614 AromaticContact CE1-NE2 3.39Å; H1610-H1614 PolarHBondContact CE1-NE2 3.25Å; H1610-H1614 AromaticContact CG-CD2 3.97Å; H1610-H1614 AromaticContact ND1-CD2 3.58Å; H1610-H1614 AromaticContact ND1-NE2 3.51Å; H1610-H1614 AromaticContact NE2-CD2 3.87Å; H1610-H1614 AromaticContact NE2-CG 3.81Å; H1610-H1614 WeakPolarHBondContact O-CB 3.47Å; H1610-H1614 PolarHBondContact O-CD2 3.16Å; H1610-H1614 PolarHBondContact O-N 3.13Å; H1614-D1616 PolarHBondContact O-N 2.99Å; H1614-Q1617 CarbonylContact O-C 3.59Å; H1614-Q1617 PolarHBondContact O-N 3.46Å; H1614-F1618 HydrophobicContact CB-CB 4.43Å; H1614-F1618 PolarHBondContact O-N 2.86Å; H1614-Y1769 AromaticContact CE1-CE1 3.94Å; H1614-Y1769 AromaticContact NE2-CE1 3.4Å; H1614-Y1769 WeakPolarHBondContact NE2-CE1 3.28Å; H1614-Y1769 AromaticContact NE2-CZ 3.47Å; H1614-Y1769 PolarHBondContact NE2-OH 2.99Å
1615L70.6Confident62.9Low23 Ų2345.6 Ų45.612%0.1224%0.239CC..THydrogen-bonded Turntrans-67.8133-173.7-156.1165.7000109.6Y1479 L1482 L1501 L1611 Q1617Y1479-L1615 HydrophobicContact CD2-CD2 3.29Å; Y1479-L1615 HydrophobicContact CE2-CD2 3.87Å; Y1479-L1615 HydrophobicContact CG-CD2 4.01Å; L1482-L1615 HydrophobicContact CD1-CD1 4.08Å; L1482-L1615 HydrophobicContact CD1-CD2 4.11Å; L1482-L1615 HydrophobicContact CD1-CG 4.34Å; L1501-L1615 HydrophobicContact CD1-CD1 3.67Å; L1501-L1615 HydrophobicContact CD2-CD1 3.93Å; L1501-L1615 HydrophobicContact CG-CD1 4.45Å; L1611-L1615 HydrophobicContact CB-CD1 4.43Å; L1611-L1615 HydrophobicContact CD2-CD1 4.25Å; L1611-L1615 WeakPolarHBondContact O-CB 3.44Å; L1611-L1615 PolarHBondContact O-N 2.81Å; L1615-Q1617 PolarHBondContact O-N 3.4Å; L1615-Q1617 VanDerWaalsContact O-N 3.14Å
1616D64.9Low60.6Low121 Ų12147.6 Ų47.665%0.64725%0.249SC*.THydrogen-bonded Turntrans64.41.2-169.8-151.851.4000115.5Y1479 H1614Y1479-D1616 WeakPolarHBondContact CB-OD1 3.28Å; Y1479-D1616 HydrophobicContact CD1-CB 3.95Å; Y1479-D1616 HydrophobicContact CG-CB 4.04Å; H1614-D1616 PolarHBondContact O-N 2.99Å
1617Q53.5Low58.4Low48 Ų4848.1 Ų48.122%0.22425%0.252CS..THydrogen-bonded Turntrans-119.2-14-175.6-60.1-178.814.400113.7H1614 L1615 M1620 V1625H1614-Q1617 CarbonylContact O-C 3.59Å; H1614-Q1617 PolarHBondContact O-N 3.46Å; L1615-Q1617 PolarHBondContact O-N 3.4Å; L1615-Q1617 VanDerWaalsContact O-N 3.14Å; Q1617-M1620 WeakPolarHBondContact O-CA 3.5Å; Q1617-V1625 VanDerWaalsContact OE1-CB 3.22Å
1618F50.1Low55.9Low57 Ų5752.3 Ų52.325%0.2527%0.274CS..  trans-101.7134.7173.2-175.9-86.7000111.3M1475 H1614 E1859M1475-F1618 HydrophobicContact CE-CB 3.81Å; M1475-F1618 HydrophobicContact CE-CG 4.44Å; H1614-F1618 HydrophobicContact CB-CB 4.43Å; H1614-F1618 PolarHBondContact O-N 2.86Å; F1618-E1859 HydrophobicContact CZ-CG 4.36Å
1619P48Very low53.4Low49 Ų4952 Ų5232%0.31827%0.273SS..SBendcis-86.9144.2-2.237.3-35.7000111.8S1621 E1859 C1860P1619-S1621 PolarHBondContact O-N 3.38Å; P1619-E1859 HydrophobicContact CB-CB 4.08Å; P1619-E1859 HydrophobicContact CB-CG 3.54Å; P1619-C1860 VanDerWaalsContact C-SG 3.6Å; P1619-C1860 VanDerWaalsContact CB-SG 3.5Å; P1619-C1860 HydrophobicContact CG-CB 4.45Å
1620M41.5Very low51.1Low37 Ų3753.4 Ų53.418%0.18228%0.283CS..  trans-63114-151.8-105.3-71.4-71.800117.1Q1617 V1625 Q1626Q1617-M1620 WeakPolarHBondContact O-CA 3.5Å; M1620-V1625 WeakPolarHBondContact CE-O 3.12Å; M1620-V1625 WeakPolarHBondContact CG-O 3.25Å; M1620-V1625 VanDerWaalsContact SD-C 3.59Å; M1620-V1625 HydrophobicContact SD-CB 4.45Å; M1620-V1625 PolarHBondContact SD-N 3.26Å; M1620-V1625 VanDerWaalsContact SD-N 3.44Å; M1620-Q1626 HydrophobicContact CE-CG 3.86Å
1621S35.1Very low48.7Very low74 Ų7455.9 Ų55.952%0.51730%0.296SS..  trans-70.1147.8155.589.80000109.5P1619 Q1623P1619-S1621 PolarHBondContact O-N 3.38Å; S1621-Q1623 PolarHBondContact O-N 3.08Å
1622K31.7Very low46.1Very low107 Ų10758.9 Ų58.947%0.46531%0.31SS..THydrogen-bonded Turntrans-65.1-1.6-164.9-91.9178.3178.3166.80117V1849K1622-V1849 HydrophobicContact CD-CG1 4.31Å
1623Q35.8Very low44Very low156 Ų15661 Ų6173%0.72932%0.318SS*.THydrogen-bonded Turntrans-102.1-21.7-161.2-63.3-1710.300116.9S1621S1621-Q1623 PolarHBondContact O-N 3.08Å
1624C39.9Very low41.9Very low59 Ų5968.3 Ų68.340%0.39934%0.344SS..SBendtrans-114.7-69.4-169.2-64.70000116.4S1770C1624-S1770 VanDerWaalsContact O-O 3.08Å
1625V41.3Very low39.9Very low5 Ų573.7 Ų73.73%0.0337%0.369CS..BIsolated β-bridgetrans-13495.3-162.9166.20000113.2N1613 Q1617 M1620 L1627 Y1769 W1771N1613-V1625 WeakPolarHBondContact O-CG1 3.1Å; Q1617-V1625 VanDerWaalsContact OE1-CB 3.22Å; M1620-V1625 WeakPolarHBondContact CE-O 3.12Å; M1620-V1625 WeakPolarHBondContact CG-O 3.25Å; M1620-V1625 VanDerWaalsContact SD-C 3.59Å; M1620-V1625 HydrophobicContact SD-CB 4.45Å; M1620-V1625 PolarHBondContact SD-N 3.26Å; M1620-V1625 VanDerWaalsContact SD-N 3.44Å; V1625-L1627 PolarHBondContact O-N 2.7Å; V1625-L1627 VanDerWaalsContact O-N 3.14Å; V1625-Y1769 HydrophobicContact CG1-CD1 3.51Å; V1625-Y1769 HydrophobicContact CG1-CE1 4.43Å; V1625-Y1769 HydrophobicContact CG1-CG 3.88Å; V1625-W1771 HydrophobicContact CG2-CD2 3.48Å; V1625-W1771 VanDerWaalsContact CG2-CD2 3.48Å; V1625-W1771 VanDerWaalsContact CG2-CE2 3.41Å; V1625-W1771 HydrophobicContact CG2-CE3 3.54Å; V1625-W1771 HydrophobicContact CG2-CG 4.24Å; V1625-W1771 HydrophobicContact CG2-CH2 3.57Å; V1625-W1771 HydrophobicContact CG2-CZ2 3.49Å; V1625-W1771 VanDerWaalsContact CG2-CZ2 3.49Å; V1625-W1771 HydrophobicContact CG2-CZ3 3.59Å
1626Q39.3Very low37.9Very low96 Ų9677.5 Ų77.545%0.44939%0.39SS..  trans-78.8103.4175.3-70.4-173.414.300112.1M1620 N1628 T1629M1620-Q1626 HydrophobicContact CE-CG 3.86Å; Q1626-N1628 PolarHBondContact O-N 2.71Å; Q1626-N1628 VanDerWaalsContact O-N 3.12Å; Q1626-T1629 HydrophobicContact CB-CG2 3.9Å
1627L41.5Very low36.2Very low27 Ų2776.9 Ų76.914%0.14138%0.383CS..THydrogen-bonded Turntrans-49.2-30.4175.5-135.9-177.4000114.3V1625 Y1769V1625-L1627 PolarHBondContact O-N 2.7Å; V1625-L1627 VanDerWaalsContact O-N 3.14Å; L1627-Y1769 HydrophobicContact CD2-CE1 3.99Å; L1627-Y1769 HydrophobicContact CG-CE1 4.16Å
1628N37.3Very low35Very low87 Ų8779.1 Ų79.147%0.46540%0.396SS..THydrogen-bonded Turntrans-135.787.9173.5-90.3-39.5000109.3Q1626 S1630Q1626-N1628 PolarHBondContact O-N 2.71Å; Q1626-N1628 VanDerWaalsContact O-N 3.12Å; N1628-S1630 PolarHBondContact O-N 2.94Å
1629T32.1Very low34.1Very low16 Ų1679.2 Ų79.210%0.09841%0.407CS..  trans-72.867157.443.30000110.4Q1626 I1631 K1768Q1626-T1629 HydrophobicContact CB-CG2 3.9Å; T1629-I1631 PolarHBondContact O-N 2.88Å; T1629-I1631 VanDerWaalsContact O-N 3.12Å; T1629-K1768 WeakPolarHBondContact OG1-CE 3.12Å
1630S31.9Very low33.1Very low46 Ų4681.5 Ų81.532%0.32241%0.414SS..  trans-53.6109.6143.463.90000105.2N1628 Q1632 E1662 K2054N1628-S1630 PolarHBondContact O-N 2.94Å; S1630-Q1632 VanDerWaalsContact C-N 3.33Å; S1630-Q1632 PolarHBondContact O-N 2.84Å; S1630-E1662 WeakPolarHBondContact CA-OE1 3.43Å; S1630-K2054 PolarHBondContact OG-NZ 3.1Å
1631I30.4Very low32.6Very low54 Ų5482.8 Ų82.828%0.27743%0.426SS..  trans-67.599.5-174.6-66.7174.3000107.3T1629 E1633 E1662 L1663T1629-I1631 PolarHBondContact O-N 2.88Å; T1629-I1631 VanDerWaalsContact O-N 3.12Å; I1631-E1633 PolarHBondContact O-N 3.45Å; I1631-E1662 HydrophobicContact CB-CG 4.48Å; I1631-E1662 HydrophobicContact CD1-CB 4.41Å; I1631-E1662 PolarHBondContact N-OE1 3.27Å; I1631-L1663 HydrophobicContact CD1-CD1 3.96Å; I1631-L1663 HydrophobicContact CD1-CD2 4.23Å; I1631-L1663 HydrophobicContact CD1-CG 3.62Å
1632Q27.9Very low32.3Very low71 Ų7184.9 Ų84.933%0.33243%0.43SS..  trans-75.3125.7-161.4-171.6159.7-11.400109.3S1630 R1634 H1635S1630-Q1632 VanDerWaalsContact C-N 3.33Å; S1630-Q1632 PolarHBondContact O-N 2.84Å; Q1632-R1634 HydrophobicContact CG-CB 4.37Å; Q1632-R1634 HydrophobicContact CG-CG 4.28Å; Q1632-R1634 PolarHBondContact O-N 3.49Å; Q1632-H1635 PolarHBondContact O-N 3.3Å
1633E29.8Very low32.2Very low132 Ų13282 Ų8262%0.61742%0.424SS*.THydrogen-bonded Turntrans-47.4-23.7-174.4-55.2153.1131.500113.5I1631 H1635 D1636 Q1637I1631-E1633 PolarHBondContact O-N 3.45Å; E1633-H1635 PolarHBondContact O-N 3.26Å; E1633-D1636 CarbonylContact O-C 3.58Å; E1633-D1636 PolarHBondContact O-N 2.84Å; E1633-Q1637 WeakPolarHBondContact O-CG 3.32Å; E1633-Q1637 PolarHBondContact O-N 3.19Å
1634R26.8Very low31.9Very low163 Ų16378.6 Ų78.662%0.61542%0.417SS*.THydrogen-bonded Turntrans-56.4-26.8172.4-67.5-178.1176.7175.4-3.9114.6Q1632Q1632-R1634 HydrophobicContact CG-CB 4.37Å; Q1632-R1634 HydrophobicContact CG-CG 4.28Å; Q1632-R1634 PolarHBondContact O-N 3.49Å
1635H28.6Very low31.6Very low120 Ų12079.9 Ų79.956%0.55643%0.432SS*.THydrogen-bonded Turntrans-70.2-39.3172-80.6-71000111.5Q1632 E1633 L1638Q1632-H1635 PolarHBondContact O-N 3.3Å; E1633-H1635 PolarHBondContact O-N 3.26Å; H1635-L1638 PolarHBondContact O-N 2.94Å
1636D27.7Very low31Very low103 Ų10386.6 Ų86.655%0.55146%0.463SS*.THydrogen-bonded Turntrans-80.1-17.8176.8-61.6-40.1000112.7E1633 L1638 A1639E1633-D1636 CarbonylContact O-C 3.58Å; E1633-D1636 PolarHBondContact O-N 2.84Å; D1636-L1638 PolarHBondContact O-N 2.64Å; D1636-L1638 VanDerWaalsContact O-N 3.09Å; D1636-A1639 WeakPolarHBondContact O-CA 3.17Å; D1636-A1639 WeakPolarHBondContact O-CB 3.29Å; D1636-A1639 PolarHBondContact O-N 3.21Å
1637Q29.2Very low30.4Very low108 Ų10889.8 Ų89.851%0.50548%0.475SS..Hα-helixtrans-62-13.2169.8-73.9-175.8-1.200113.5E1633 A1639 H1640E1633-Q1637 WeakPolarHBondContact O-CG 3.32Å; E1633-Q1637 PolarHBondContact O-N 3.19Å; Q1637-A1639 PolarHBondContact O-N 2.93Å; Q1637-H1640 WeakPolarHBondContact O-CA 3.37Å; Q1637-H1640 VanDerWaalsContact O-CB 3.32Å; Q1637-H1640 WeakPolarHBondContact O-CB 3.48Å; Q1637-H1640 PolarHBondContact O-N 3.39Å
1638L29.2Very low29.8Very low95 Ų9597.2 Ų97.250%0.49751%0.509SS..Hα-helixtrans-66.8-24.8167.6-129.5160.8000111.7H1635 D1636 H1640 S1641 V1692H1635-L1638 PolarHBondContact O-N 2.94Å; D1636-L1638 PolarHBondContact O-N 2.64Å; D1636-L1638 VanDerWaalsContact O-N 3.09Å; L1638-H1640 VanDerWaalsContact C-N 3.3Å; L1638-S1641 WeakPolarHBondContact O-CB 3.46Å; L1638-S1641 PolarHBondContact O-N 2.75Å; L1638-S1641 PolarHBondContact O-OG 3.45Å; L1638-V1692 HydrophobicContact CD1-CG1 4.33Å; L1638-V1692 HydrophobicContact CD2-CG1 4.19Å
1639A31Very low29.3Very low59 Ų59101.2 Ų101.249%0.48852%0.523SS..Hα-helixtrans-70.5-22.7166.800000113D1636 Q1637 S1641 I1642 S1643D1636-A1639 WeakPolarHBondContact O-CA 3.17Å; D1636-A1639 WeakPolarHBondContact O-CB 3.29Å; D1636-A1639 PolarHBondContact O-N 3.21Å; Q1637-A1639 PolarHBondContact O-N 2.93Å; A1639-S1641 VanDerWaalsContact C-N 3.25Å; A1639-S1641 PolarHBondContact O-N 2.94Å; A1639-I1642 WeakPolarHBondContact O-CA 3.11Å; A1639-I1642 WeakPolarHBondContact O-CB 3.28Å; A1639-I1642 PolarHBondContact O-N 3.43Å; A1639-S1643 PolarHBondContact O-N 3.46Å
1640H28.2Very low29.1Very low97 Ų97107 Ų10745%0.44956%0.558SS.*Hα-helixtrans-66.9-26.5170.1-95.5-46.6000112.6Q1637 L1638 I1642 S1643 S1644Q1637-H1640 WeakPolarHBondContact O-CA 3.37Å; Q1637-H1640 VanDerWaalsContact O-CB 3.32Å; Q1637-H1640 WeakPolarHBondContact O-CB 3.48Å; Q1637-H1640 PolarHBondContact O-N 3.39Å; L1638-H1640 VanDerWaalsContact C-N 3.3Å; H1640-I1642 PolarHBondContact O-N 2.87Å; H1640-S1643 PolarHBondContact O-N 3.3Å; H1640-S1644 WeakPolarHBondContact O-CB 3.23Å; H1640-S1644 PolarHBondContact O-N 3.09Å; H1640-S1644 PolarHBondContact O-OG 2.85Å
1641S29.5Very low28.8Very low64 Ų64110.6 Ų110.645%0.44858%0.578SS.*Hα-helixtrans-58.4-35.3167.4-26.20000112.2L1638 A1639 S1644L1638-S1641 WeakPolarHBondContact O-CB 3.46Å; L1638-S1641 PolarHBondContact O-N 2.75Å; L1638-S1641 PolarHBondContact O-OG 3.45Å; A1639-S1641 VanDerWaalsContact C-N 3.25Å; A1639-S1641 PolarHBondContact O-N 2.94Å; S1641-S1644 WeakPolarHBondContact CA-OG 3.42Å; S1641-S1644 PolarHBondContact O-OG 3.3Å
1642I29.6Very low28.6Very low118 Ų118114.8 Ų114.861%0.60560%0.601SS**Hα-helixtrans-78.7-41.8178.3-54.4177.4000109.7A1639 H1640 S1644 A1645 Q1646A1639-I1642 WeakPolarHBondContact O-CA 3.11Å; A1639-I1642 WeakPolarHBondContact O-CB 3.28Å; A1639-I1642 PolarHBondContact O-N 3.43Å; H1640-I1642 PolarHBondContact O-N 2.87Å; I1642-S1644 PolarHBondContact O-N 3.27Å; I1642-A1645 WeakPolarHBondContact O-CB 3.33Å; I1642-A1645 PolarHBondContact O-N 3.28Å; I1642-A1645 VanDerWaalsContact O-N 3.14Å; I1642-Q1646 PolarHBondContact O-N 3.33Å
1643S29.5Very low28.6Very low47 Ų47119.1 Ų119.133%0.32963%0.627SS.*Hα-helixtrans-64.4-36.3175.1-177.10000113.2A1639 H1640 A1645 Q1646 K1647A1639-S1643 PolarHBondContact O-N 3.46Å; H1640-S1643 PolarHBondContact O-N 3.3Å; S1643-A1645 PolarHBondContact O-N 3.13Å; S1643-Q1646 PolarHBondContact O-N 3.41Å; S1643-K1647 PolarHBondContact O-N 3.46Å; S1643-K1647 VanDerWaalsContact O-N 3.12Å
1644S29.8Very low28.4Very low84 Ų84122.1 Ų122.159%0.58764%0.641SS**Hα-helixtrans-63.4-27.6173.648.60000112.8H1640 S1641 I1642 Q1646H1640-S1644 WeakPolarHBondContact O-CB 3.23Å; H1640-S1644 PolarHBondContact O-N 3.09Å; H1640-S1644 PolarHBondContact O-OG 2.85Å; S1641-S1644 WeakPolarHBondContact CA-OG 3.42Å; S1641-S1644 PolarHBondContact O-OG 3.3Å; I1642-S1644 PolarHBondContact O-N 3.27Å; S1644-Q1646 VanDerWaalsContact C-N 3.29Å; S1644-Q1646 PolarHBondContact O-N 3.24Å
1645A33.3Very low28.3Very low85 Ų85118.5 Ų118.570%0.70264%0.64SS**THydrogen-bonded Turntrans-77.1-10.617300000113.7I1642 S1643I1642-A1645 WeakPolarHBondContact O-CB 3.33Å; I1642-A1645 PolarHBondContact O-N 3.28Å; I1642-A1645 VanDerWaalsContact O-N 3.14Å; S1643-A1645 PolarHBondContact O-N 3.13Å
1646Q28.7Very low28.2Very low147 Ų147118.2 Ų118.269%0.68764%0.642SS**THydrogen-bonded Turntrans-114.7-1.7178.9-70.7-169.8-24.500114.7I1642 S1643 S1644 Q1648 F1649I1642-Q1646 PolarHBondContact O-N 3.33Å; S1643-Q1646 PolarHBondContact O-N 3.41Å; S1644-Q1646 VanDerWaalsContact C-N 3.29Å; S1644-Q1646 PolarHBondContact O-N 3.24Å; Q1646-Q1648 PolarHBondContact O-N 3.13Å; Q1646-F1649 PolarHBondContact O-N 3.11Å
1647K26Very low28.1Very low163 Ų163118.9 Ų118.971%0.70964%0.644SS**THydrogen-bonded Turntrans-69.217.1176.3-96.5-170.9174.9-176.10116S1643 F1649S1643-K1647 PolarHBondContact O-N 3.46Å; S1643-K1647 VanDerWaalsContact O-N 3.12Å; K1647-F1649 VanDerWaalsContact C-N 3.32Å
1648Q29.6Very low28.2Very low183 Ų183121.7 Ų121.786%0.85566%0.662SS**THydrogen-bonded Turntrans-80.6-7161.7-86.8-167.9-17.300113.7Q1646Q1646-Q1648 PolarHBondContact O-N 3.13Å
1649F26.8Very low28.1Very low170 Ų170123 Ų12375%0.74667%0.67SS**SBendtrans-118.2111.6177.2-74.3-79000114.4Q1646 K1647Q1646-F1649 PolarHBondContact O-N 3.11Å; K1647-F1649 VanDerWaalsContact C-N 3.32Å
1650T27.1Very low28Very low139 Ų139126.2 Ų126.285%0.85368%0.678SS**  trans68.8159158.368.50000119.6
1651T25.7Very low28Very low120 Ų120125.2 Ų125.274%0.73668%0.682SS**  trans-120.5158.9-161.550.60000112.9
1652N25.5Very low28.4Very low143 Ų143125.3 Ų125.377%0.76568%0.675SS**  trans71.295.7165.3-56.3-14.7000117.3
1653N28.2Very low28.9Very low162 Ų162120.8 Ų120.887%0.86665%0.652SS**  -171.9130.3114.1-90.1-27.1000110.3
1654H26.4Very low29.6Very low195 Ų195121.4 Ų121.490%0.90365%0.654SS**  trans-125.188.1-179.9-103.3-68.1000110.5
1655S24.4Very low30.4Very low86 Ų86120.5 Ų120.560%0.60165%0.652SS**  trans-166141165.854.40000110
1656N26.1Very low31Very low114 Ų114122.7 Ų122.761%0.6165%0.647SS**  trans8696.2-173.6-53.91000114.2
1657M27.1Very low32Very low118 Ų118117.8 Ų117.858%0.58163%0.625SS**  trans-124.5-7.3169.7-108.3-70.7-178.600113.4D1659 L1660M1657-D1659 PolarHBondContact O-N 3Å; M1657-L1660 HydrophobicContact CE-CD1 4.41Å; M1657-L1660 HydrophobicContact SD-CD1 3.74Å
1658D30Very low33.2Very low166 Ų166111 Ų11189%0.88860%0.596SS**THydrogen-bonded Turntrans-87.7-0-168.3-54.9-18.1000114.8
1659D28.5Very low34.2Very low124 Ų124109.5 Ų109.566%0.66359%0.589SS**THydrogen-bonded Turntrans-107.712-173.4-100.2-39.2000113.9M1657 S1661M1657-D1659 PolarHBondContact O-N 3Å; D1659-S1661 PolarHBondContact O-N 3.11Å
1660L27.2Very low35.4Very low126 Ų126106.1 Ų106.166%0.6658%0.575SS**  trans-74.771.2174.5-87.2158.4000111.3M1657M1657-L1660 HydrophobicContact CE-CD1 4.41Å; M1657-L1660 HydrophobicContact SD-CD1 3.74Å
1661S29.9Very low36.8Very low75 Ų75104.1 Ų104.152%0.52456%0.56SS.*  trans-67.8135.3-171.9720000113.6D1659 L1663D1659-S1661 PolarHBondContact O-N 3.11Å; S1661-L1663 PolarHBondContact O-N 2.98Å
1662E36.8Very low38.6Very low67 Ų6799.1 Ų99.131%0.31353%0.529SS..SBendtrans-40.5133.3170.9-54.2-175.8115.600112.6S1630 I1631 K1999S1630-E1662 WeakPolarHBondContact CA-OE1 3.43Å; I1631-E1662 HydrophobicContact CB-CG 4.48Å; I1631-E1662 HydrophobicContact CD1-CB 4.41Å; I1631-E1662 PolarHBondContact N-OE1 3.27Å; E1662-K1999 WeakPolarHBondContact O-CE 3.27Å; E1662-K1999 PolarHBondContact O-NZ 3.49Å
1663L40.4Very low40.8Very low23 Ų2393 Ų9312%0.1250%0.495CS..SBendtrans49.986.9-177.4-65.7152.2000112.1I1631 S1661 I1667 F1668 K1999I1631-L1663 HydrophobicContact CD1-CD1 3.96Å; I1631-L1663 HydrophobicContact CD1-CD2 4.23Å; I1631-L1663 HydrophobicContact CD1-CG 3.62Å; S1661-L1663 PolarHBondContact O-N 2.98Å; L1663-I1667 HydrophobicContact CD2-CB 4.28Å; L1663-I1667 HydrophobicContact CD2-CD1 4.42Å; L1663-I1667 HydrophobicContact CD2-CG2 3.76Å; L1663-F1668 HydrophobicContact CB-CD2 4.2Å; L1663-F1668 HydrophobicContact CB-CE2 3.55Å; L1663-F1668 HydrophobicContact CB-CZ 4.36Å; L1663-F1668 HydrophobicContact CD1-CE2 3.97Å; L1663-F1668 HydrophobicContact CD1-CZ 3.92Å; L1663-F1668 HydrophobicContact CD2-CE2 4.25Å; L1663-F1668 HydrophobicContact CG-CE2 4.12Å; L1663-F1668 HydrophobicContact CG-CZ 4.49Å; L1663-K1999 PolarHBondContact O-NZ 3.5Å
1664T43.6Very low43Very low59 Ų5985.6 Ų85.636%0.36246%0.456SS..  trans-51.3149.7163.554.40000109.8E1666 I1667T1664-E1666 PolarHBondContact O-N 3.26Å; T1664-E1666 VanDerWaalsContact O-N 3.15Å; T1664-I1667 PolarHBondContact O-N 3.47Å; T1664-I1667 VanDerWaalsContact O-N 3.08Å
1665A47.7Very low45.6Very low66 Ų6676.4 Ų76.455%0.54541%0.413SS..Hα-helixtrans-55.7-32.9176.800000111.4I1667 F1668 E1669A1665-I1667 VanDerWaalsContact C-N 3.32Å; A1665-I1667 PolarHBondContact O-N 3.3Å; A1665-F1668 CarbonylContact O-C 3.46Å; A1665-F1668 WeakPolarHBondContact O-CA 3.4Å; A1665-F1668 WeakPolarHBondContact O-CB 3.28Å; A1665-F1668 PolarHBondContact O-N 3.19Å; A1665-E1669 PolarHBondContact O-N 3.37Å
1666E44.7Very low48.2Very low130 Ų13072.3 Ų72.361%0.60739%0.385SS*.Hα-helixtrans-52.7-39.6174.9-57.6173.8165.600113.7T1664 F1668 E1669 Q1670T1664-E1666 PolarHBondContact O-N 3.26Å; T1664-E1666 VanDerWaalsContact O-N 3.15Å; E1666-F1668 VanDerWaalsContact C-N 3.27Å; E1666-F1668 PolarHBondContact O-N 3.32Å; E1666-E1669 CarbonylContact O-C 3.09Å; E1666-E1669 PolarHBondContact O-N 3.33Å; E1666-E1669 VanDerWaalsContact O-N 3.15Å; E1666-Q1670 WeakPolarHBondContact O-CG 3.48Å; E1666-Q1670 PolarHBondContact O-N 3.38Å
1667I49.9Very low50.7Low44 Ų4467 Ų6723%0.22636%0.356CS..Hα-helixtrans-69.1-27.9177.5-64.5171.5000111.3L1663 T1664 A1665 L1687L1663-I1667 HydrophobicContact CD2-CB 4.28Å; L1663-I1667 HydrophobicContact CD2-CD1 4.42Å; L1663-I1667 HydrophobicContact CD2-CG2 3.76Å; T1664-I1667 PolarHBondContact O-N 3.47Å; T1664-I1667 VanDerWaalsContact O-N 3.08Å; A1665-I1667 VanDerWaalsContact C-N 3.32Å; A1665-I1667 PolarHBondContact O-N 3.3Å; I1667-L1687 HydrophobicContact CG2-CD1 4.16Å
1668F51.9Low52.8Low20 Ų2062.4 Ų62.49%0.08833%0.334CS..Hα-helixtrans-84.7-14.2172.7-73.1-79.4000113.7L1663 A1665 E1666 L1673 I1675 I1995L1663-F1668 HydrophobicContact CB-CD2 4.2Å; L1663-F1668 HydrophobicContact CB-CE2 3.55Å; L1663-F1668 HydrophobicContact CB-CZ 4.36Å; L1663-F1668 HydrophobicContact CD1-CE2 3.97Å; L1663-F1668 HydrophobicContact CD1-CZ 3.92Å; L1663-F1668 HydrophobicContact CD2-CE2 4.25Å; L1663-F1668 HydrophobicContact CG-CE2 4.12Å; L1663-F1668 HydrophobicContact CG-CZ 4.49Å; A1665-F1668 CarbonylContact O-C 3.46Å; A1665-F1668 WeakPolarHBondContact O-CA 3.4Å; A1665-F1668 WeakPolarHBondContact O-CB 3.28Å; A1665-F1668 PolarHBondContact O-N 3.19Å; E1666-F1668 VanDerWaalsContact C-N 3.27Å; E1666-F1668 PolarHBondContact O-N 3.32Å; F1668-L1673 HydrophobicContact CD1-CD2 3.24Å; F1668-L1673 HydrophobicContact CE1-CD2 3.61Å; F1668-L1673 HydrophobicContact CG-CD2 4.2Å; F1668-I1675 HydrophobicContact CE1-CD1 4.44Å; F1668-I1995 HydrophobicContact CB-CD1 3.43Å; F1668-I1995 VanDerWaalsContact CB-CD1 3.43Å; F1668-I1995 HydrophobicContact CB-CG1 4.27Å; F1668-I1995 HydrophobicContact CD1-CD1 3.75Å; F1668-I1995 HydrophobicContact CD1-CG1 3.6Å; F1668-I1995 HydrophobicContact CD2-CD1 3.74Å; F1668-I1995 HydrophobicContact CD2-CG1 3.91Å; F1668-I1995 HydrophobicContact CD2-CG2 3.83Å; F1668-I1995 HydrophobicContact CE1-CD1 4.39Å; F1668-I1995 HydrophobicContact CE1-CG1 3.76Å; F1668-I1995 HydrophobicContact CE2-CB 4.34Å; F1668-I1995 HydrophobicContact CE2-CD1 4.35Å; F1668-I1995 HydrophobicContact CE2-CG1 4.02Å; F1668-I1995 HydrophobicContact CE2-CG2 3.46Å; F1668-I1995 VanDerWaalsContact CE2-CG2 3.46Å; F1668-I1995 HydrophobicContact CG-CD1 3.38Å; F1668-I1995 HydrophobicContact CG-CG1 3.69Å; F1668-I1995 HydrophobicContact CG-CG2 4.48Å; F1668-I1995 HydrophobicContact CZ-CB 4.41Å; F1668-I1995 HydrophobicContact CZ-CG1 3.95Å; F1668-I1995 HydrophobicContact CZ-CG2 3.88Å
1669E50.1Low54.7Low153 Ų15357.3 Ų57.372%0.71531%0.307SS*.Hα-helixtrans-92.8-13.1172-69.5-179.5-176.300112.5A1665 E1666A1665-E1669 PolarHBondContact O-N 3.37Å; E1666-E1669 CarbonylContact O-C 3.09Å; E1666-E1669 PolarHBondContact O-N 3.33Å; E1666-E1669 VanDerWaalsContact O-N 3.15Å
1670Q52.8Low56.7Low98 Ų9861.5 Ų61.546%0.45831%0.313SS..SBendtrans-74.6139.5170.6-75.3172.428.900111.5E1666 N1672E1666-Q1670 WeakPolarHBondContact O-CG 3.48Å; E1666-Q1670 PolarHBondContact O-N 3.38Å; Q1670-N1672 WeakPolarHBondContact CB-OD1 3.43Å; Q1670-N1672 PolarHBondContact O-N 2.9Å; Q1670-N1672 PolarHBondContact O-OD1 3.18Å; Q1670-N1672 PolarHBondContact OE1-ND2 2.7Å
1671N55.2Low58.9Low97 Ų9756.1 Ų56.152%0.51929%0.286SS..THydrogen-bonded Turntrans-71.88.9-177.2-60.7-29.5000114.6F1964N1671-F1964 VanDerWaalsContact O-CE2 3.28Å; N1671-F1964 WeakPolarHBondContact O-CE2 3.41Å; N1671-F1964 WeakPolarHBondContact O-CZ 3.27Å
1672N63.7Low61.4Low16 Ų1654.5 Ų54.59%0.08627%0.271CS..THydrogen-bonded Turntrans-97.511.5-174.463.7-16000113.8Q1670 S1688Q1670-N1672 WeakPolarHBondContact CB-OD1 3.43Å; Q1670-N1672 PolarHBondContact O-N 2.9Å; Q1670-N1672 PolarHBondContact O-OD1 3.18Å; Q1670-N1672 PolarHBondContact OE1-ND2 2.7Å; N1672-S1688 WeakPolarHBondContact CB-O 3.39Å; N1672-S1688 PolarHBondContact ND2-O 3.35Å; N1672-S1688 PolarHBondContact O-N 3.07Å
1673L71.6Confident63.6Low13 Ų1351.3 Ų51.37%0.06826%0.256CS..EExtended strand (participates in β ladder)trans-115.7132.6-180-164.678.6000112.1F1668 I1675 T1685 F1686 L1687 I1990F1668-L1673 HydrophobicContact CD1-CD2 3.24Å; F1668-L1673 HydrophobicContact CE1-CD2 3.61Å; F1668-L1673 HydrophobicContact CG-CD2 4.2Å; L1673-I1675 HydrophobicContact CD2-CD1 4.19Å; L1673-I1675 HydrophobicContact CD2-CG1 4.31Å; L1673-I1675 HydrophobicContact CG-CG1 4.42Å; L1673-T1685 HydrophobicContact CD1-CG2 3.48Å; L1673-T1685 VanDerWaalsContact CD1-CG2 3.48Å; L1673-T1685 HydrophobicContact CG-CG2 4.15Å; L1673-F1686 WeakPolarHBondContact CA-O 3.38Å; L1673-L1687 HydrophobicContact CD1-CB 4.09Å; L1673-L1687 HydrophobicContact CD1-CD1 3.94Å; L1673-I1990 HydrophobicContact CD2-CD1 4.34Å
1674Q74.4Confident65.5Low7 Ų750.9 Ų50.93%0.03325%0.254CS..EExtended strand (participates in β ladder)trans-131.1136.7167-75.5179.2-22.600110.2F1676 T1685 F1686 F1964 I2221Q1674-F1676 HydrophobicContact CB-CD2 4.4Å; Q1674-F1676 HydrophobicContact CB-CE2 3.55Å; Q1674-F1676 HydrophobicContact CB-CZ 3.96Å; Q1674-T1685 CarbonylContact O-C 3.56Å; Q1674-T1685 WeakPolarHBondContact O-CA 3.11Å; Q1674-F1686 PolarHBondContact N-O 3.33Å; Q1674-F1686 PolarHBondContact O-N 3.08Å; Q1674-F1964 HydrophobicContact CB-CE1 4.11Å; Q1674-F1964 HydrophobicContact CG-CD1 4.17Å; Q1674-F1964 HydrophobicContact CG-CE1 3.68Å; Q1674-F1964 HydrophobicContact CG-CE2 4.38Å; Q1674-F1964 HydrophobicContact CG-CZ 3.77Å; Q1674-I2221 PolarHBondContact NE2-O 3.18Å
1675I80.8Confident67.3Low2 Ų248.3 Ų48.31%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-121.8122-178-51-177.5000109.6F1668 L1673 I1683 L1684 T1685 L1987 L1988 I1990 L1994 L1998F1668-I1675 HydrophobicContact CE1-CD1 4.44Å; L1673-I1675 HydrophobicContact CD2-CD1 4.19Å; L1673-I1675 HydrophobicContact CD2-CG1 4.31Å; L1673-I1675 HydrophobicContact CG-CG1 4.42Å; I1675-I1683 HydrophobicContact CG2-CG2 3.71Å; I1675-L1684 WeakPolarHBondContact CA-O 3.43Å; I1675-L1684 WeakPolarHBondContact CG2-O 3.09Å; I1675-T1685 HydrophobicContact CG1-CG2 4.08Å; I1675-L1987 WeakPolarHBondContact O-CD1 3.38Å; I1675-L1988 HydrophobicContact CB-CB 4.33Å; I1675-L1988 HydrophobicContact CG2-CB 4.12Å; I1675-L1988 HydrophobicContact CG2-CD1 3.84Å; I1675-L1988 HydrophobicContact CG2-CG 4.26Å; I1675-L1988 PolarHBondContact O-N 2.95Å; I1675-I1990 HydrophobicContact CD1-CG1 4.13Å; I1675-I1990 HydrophobicContact CG1-CG1 4.36Å; I1675-L1994 HydrophobicContact CD1-CD2 4.29Å; I1675-L1998 HydrophobicContact CD1-CD1 3.93Å
1676F79.4Confident68.6Low0 Ų045.2 Ų45.20%021%0.212CC..EExtended strand (participates in β ladder)trans-119.2144.5-176.2-58.4-92.9000111.3Q1674 I1683 L1684 F1686 L1971 V1985 E1986 L1987 I2221Q1674-F1676 HydrophobicContact CB-CD2 4.4Å; Q1674-F1676 HydrophobicContact CB-CE2 3.55Å; Q1674-F1676 HydrophobicContact CB-CZ 3.96Å; F1676-I1683 CarbonylContact O-C 3.58Å; F1676-I1683 VanDerWaalsContact O-CA 3.27Å; F1676-I1683 WeakPolarHBondContact O-CA 3.5Å; F1676-I1683 WeakPolarHBondContact O-CG2 2.92Å; F1676-L1684 HydrophobicContact CB-CB 4.32Å; F1676-L1684 PolarHBondContact N-O 3.2Å; F1676-L1684 PolarHBondContact O-N 3.09Å; F1676-F1686 AromaticContact CD2-CD2 3.56Å; F1676-F1686 HydrophobicContact CD2-CD2 3.56Å; F1676-F1686 AromaticContact CD2-CE2 3.72Å; F1676-F1686 HydrophobicContact CD2-CE2 3.72Å; F1676-F1686 AromaticContact CE2-CD2 3.46Å; F1676-F1686 HydrophobicContact CE2-CD2 3.46Å; F1676-F1686 VanDerWaalsContact CE2-CD2 3.46Å; F1676-F1686 AromaticContact CE2-CE2 3.81Å; F1676-F1686 HydrophobicContact CE2-CE2 3.81Å; F1676-F1686 HydrophobicContact CE2-CG 4.43Å; F1676-L1971 HydrophobicContact CE1-CD1 4Å; F1676-L1971 HydrophobicContact CE2-CD1 4.31Å; F1676-L1971 HydrophobicContact CZ-CD1 3.82Å; F1676-V1985 HydrophobicContact CB-CG1 4.4Å; F1676-V1985 HydrophobicContact CD1-CG1 3.92Å; F1676-E1986 CarbonylContact C-O 3.27Å; F1676-E1986 WeakPolarHBondContact CA-O 3.29Å; F1676-L1987 HydrophobicContact CD1-CD1 4.24Å; F1676-L1987 HydrophobicContact CE1-CD1 4.04Å; F1676-L1987 HydrophobicContact CZ-CD1 4.42Å; F1676-I2221 HydrophobicContact CD1-CD1 4.49Å; F1676-I2221 HydrophobicContact CE1-CD1 3.68Å; F1676-I2221 HydrophobicContact CE1-CG1 3.81Å; F1676-I2221 HydrophobicContact CZ-CG1 4.39Å
1677V80Confident69.8Low3 Ų339.8 Ų39.82%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-85.1133.8155.9-173.80000106.9D1679 V1985 E1986 L1988 I2205V1677-D1679 WeakPolarHBondContact CG1-O 3.48Å; V1677-V1985 VanDerWaalsContact O-CA 3.27Å; V1677-V1985 WeakPolarHBondContact O-CA 3.39Å; V1677-E1986 HydrophobicContact CB-CB 4.16Å; V1677-E1986 HydrophobicContact CG2-CB 4.36Å; V1677-E1986 PolarHBondContact N-O 3.31Å; V1677-E1986 PolarHBondContact O-N 2.89Å; V1677-E1986 VanDerWaalsContact O-N 3.14Å; V1677-L1988 HydrophobicContact CG2-CD1 4.27Å; V1677-L1988 HydrophobicContact CG2-CD2 3.39Å; V1677-L1988 HydrophobicContact CG2-CG 3.75Å; V1677-I2205 HydrophobicContact CG1-CD1 3.96Å; V1677-I2205 HydrophobicContact CG1-CG1 3.98Å; V1677-I2205 HydrophobicContact CG1-CG2 4.01Å; V1677-I2205 HydrophobicContact CG2-CG1 4.01Å; V1677-I2205 HydrophobicContact CG2-CG2 4.23Å
1678L70.4Confident70.5Confident22 Ų2237.9 Ų37.912%0.11518%0.178CC..  trans-97.7-34169.5-84.5-175.4000112.7I1682 L1684 Y1976 T1984 V1985L1678-I1682 HydrophobicContact CB-CB 4.19Å; L1678-I1682 HydrophobicContact CB-CG2 4.27Å; L1678-I1682 HydrophobicContact CD1-CG2 4.06Å; L1678-I1682 PolarHBondContact N-O 3.21Å; L1678-L1684 HydrophobicContact CD1-CD1 3.72Å; L1678-L1684 HydrophobicContact CD1-CD2 4.1Å; L1678-L1684 HydrophobicContact CD1-CG 3.77Å; L1678-L1684 HydrophobicContact CD2-CD1 4.06Å; L1678-L1684 HydrophobicContact CG-CD1 3.8Å; L1678-L1684 HydrophobicContact CG-CG 3.84Å; L1678-Y1976 HydrophobicContact CD2-CD2 3.96Å; L1678-Y1976 HydrophobicContact CD2-CE1 4.25Å; L1678-Y1976 HydrophobicContact CD2-CE2 3.56Å; L1678-Y1976 HydrophobicContact CD2-CG 4.46Å; L1678-T1984 CarbonylContact C-O 3.55Å; L1678-T1984 VanDerWaalsContact C-O 3.23Å; L1678-T1984 CarbonylContact O-C 3.57Å; L1678-T1984 WeakPolarHBondContact O-CB 3.47Å; L1678-V1985 HydrophobicContact CD2-CG2 3.71Å
1679D70.2Confident70.9Confident59 Ų5939.4 Ų39.432%0.31619%0.187SC..SBendtrans-158.8-168.2177.680.1-23.6000108.9V1677 S1681 I1682V1677-D1679 WeakPolarHBondContact CG1-O 3.48Å; D1679-S1681 PolarHBondContact O-N 2.99Å; D1679-S1681 VanDerWaalsContact O-N 3.07Å; D1679-S1681 WeakPolarHBondContact OD1-CA 3.3Å; D1679-S1681 WeakPolarHBondContact OD1-CB 3.28Å; D1679-S1681 PolarHBondContact OD1-N 3.39Å; D1679-S1681 PolarHBondContact OD1-OG 3.47Å; D1679-S1681 WeakPolarHBondContact OD2-CB 3.23Å; D1679-S1681 PolarHBondContact OD2-OG 3.28Å; D1679-I1682 WeakPolarHBondContact OD1-CB 3.41Å; D1679-I1682 WeakPolarHBondContact OD1-CG1 3.29Å; D1679-I1682 PolarHBondContact OD1-N 3.03Å
1680R70.6Confident70.8Confident212 Ų21236.3 Ų36.380%0.818%0.18SC*.SBendtrans-73.75.8179.5-64.3-178.1177.9177.5-0114.8
1681S73.7Confident70.5Confident13 Ų1335.4 Ų35.49%0.09118%0.178CC..SBendtrans-132.6-22.5-166.9-16.40000113.1D1679 D1764 L2201D1679-S1681 PolarHBondContact O-N 2.99Å; D1679-S1681 VanDerWaalsContact O-N 3.07Å; D1679-S1681 WeakPolarHBondContact OD1-CA 3.3Å; D1679-S1681 WeakPolarHBondContact OD1-CB 3.28Å; D1679-S1681 PolarHBondContact OD1-N 3.39Å; D1679-S1681 PolarHBondContact OD1-OG 3.47Å; D1679-S1681 WeakPolarHBondContact OD2-CB 3.23Å; D1679-S1681 PolarHBondContact OD2-OG 3.28Å; S1681-D1764 WeakPolarHBondContact O-CA 3.39Å; S1681-L2201 WeakPolarHBondContact O-CD1 3.47Å
1682I80.7Confident69.7Low40 Ų4035.6 Ų35.621%0.20518%0.182CC..  trans-127.7125.7-167.7-54.5171.1000110.7L1678 D1679 R1763 D1764L1678-I1682 HydrophobicContact CB-CB 4.19Å; L1678-I1682 HydrophobicContact CB-CG2 4.27Å; L1678-I1682 HydrophobicContact CD1-CG2 4.06Å; L1678-I1682 PolarHBondContact N-O 3.21Å; D1679-I1682 WeakPolarHBondContact OD1-CB 3.41Å; D1679-I1682 WeakPolarHBondContact OD1-CG1 3.29Å; D1679-I1682 PolarHBondContact OD1-N 3.03Å; I1682-R1763 CarbonylContact C-O 3.59Å; I1682-R1763 WeakPolarHBondContact CA-O 3.35Å; I1682-D1764 HydrophobicContact CG1-CB 3.95Å
1683I84.3Confident68.2Low0 Ų043.1 Ų43.10%021%0.214CC..EExtended strand (participates in β ladder)trans-113.1122.3170.2-63173.9000109I1675 F1676 R1763 L1988 L1998 L2201 I2204 I2205I1675-I1683 HydrophobicContact CG2-CG2 3.71Å; F1676-I1683 CarbonylContact O-C 3.58Å; F1676-I1683 VanDerWaalsContact O-CA 3.27Å; F1676-I1683 WeakPolarHBondContact O-CA 3.5Å; F1676-I1683 WeakPolarHBondContact O-CG2 2.92Å; I1683-R1763 HydrophobicContact CB-CB 4.33Å; I1683-R1763 PolarHBondContact N-O 3.12Å; I1683-R1763 PolarHBondContact O-N 3.2Å; I1683-L1988 HydrophobicContact CD1-CD1 4.08Å; I1683-L1988 HydrophobicContact CG1-CD1 4.48Å; I1683-L1988 HydrophobicContact CG2-CD1 4.22Å; I1683-L1998 HydrophobicContact CD1-CD2 4.33Å; I1683-L2201 HydrophobicContact CD1-CD2 3.9Å; I1683-L2201 HydrophobicContact CG1-CD2 4.04Å; I1683-I2204 HydrophobicContact CD1-CB 4.3Å; I1683-I2204 HydrophobicContact CD1-CG2 3.62Å; I1683-I2205 HydrophobicContact CD1-CG1 4.25Å; I1683-I2205 HydrophobicContact CG1-CG1 4.29Å
1684L80.5Confident66.1Low14 Ų1449.9 Ų49.97%0.07325%0.249CC..EExtended strand (participates in β ladder)trans-90.2152.3167.1-62.7-176.1000111.3I1675 F1676 L1678 F1686 I1760 I1761 T1762I1675-L1684 WeakPolarHBondContact CA-O 3.43Å; I1675-L1684 WeakPolarHBondContact CG2-O 3.09Å; F1676-L1684 HydrophobicContact CB-CB 4.32Å; F1676-L1684 PolarHBondContact N-O 3.2Å; F1676-L1684 PolarHBondContact O-N 3.09Å; L1678-L1684 HydrophobicContact CD1-CD1 3.72Å; L1678-L1684 HydrophobicContact CD1-CD2 4.1Å; L1678-L1684 HydrophobicContact CD1-CG 3.77Å; L1678-L1684 HydrophobicContact CD2-CD1 4.06Å; L1678-L1684 HydrophobicContact CG-CD1 3.8Å; L1678-L1684 HydrophobicContact CG-CG 3.84Å; L1684-F1686 HydrophobicContact CB-CD2 4.44Å; L1684-F1686 HydrophobicContact CB-CE2 4.06Å; L1684-F1686 HydrophobicContact CD1-CE2 3.65Å; L1684-F1686 HydrophobicContact CD1-CZ 3.95Å; L1684-I1760 HydrophobicContact CD2-CG2 4.21Å; L1684-I1761 CarbonylContact C-O 3.5Å; L1684-I1761 WeakPolarHBondContact CA-O 3.41Å; L1684-T1762 HydrophobicContact CD2-CG2 3.5Å
1685T80.8Confident63.8Low5 Ų555.2 Ų55.23%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-136.7116.3164.9-61.60000109.3L1673 Q1674 I1675 I1761 R1763L1673-T1685 HydrophobicContact CD1-CG2 3.48Å; L1673-T1685 VanDerWaalsContact CD1-CG2 3.48Å; L1673-T1685 HydrophobicContact CG-CG2 4.15Å; Q1674-T1685 CarbonylContact O-C 3.56Å; Q1674-T1685 WeakPolarHBondContact O-CA 3.11Å; I1675-T1685 HydrophobicContact CG1-CG2 4.08Å; T1685-I1761 PolarHBondContact N-O 3.45Å; T1685-I1761 PolarHBondContact O-N 3.21Å; T1685-R1763 PolarHBondContact OG1-NH1 2.69Å
1686F74.4Confident61.4Low1 Ų161.1 Ų61.10%0.00432%0.32CS..EExtended strand (participates in β ladder)trans-92.8128.3172.9-67.5-99.4000109L1673 Q1674 F1676 L1684 T1758 I1760 S1967 L1970 L1971L1673-F1686 WeakPolarHBondContact CA-O 3.38Å; Q1674-F1686 PolarHBondContact N-O 3.33Å; Q1674-F1686 PolarHBondContact O-N 3.08Å; F1676-F1686 AromaticContact CD2-CD2 3.56Å; F1676-F1686 HydrophobicContact CD2-CD2 3.56Å; F1676-F1686 AromaticContact CD2-CE2 3.72Å; F1676-F1686 HydrophobicContact CD2-CE2 3.72Å; F1676-F1686 AromaticContact CE2-CD2 3.46Å; F1676-F1686 HydrophobicContact CE2-CD2 3.46Å; F1676-F1686 VanDerWaalsContact CE2-CD2 3.46Å; F1676-F1686 AromaticContact CE2-CE2 3.81Å; F1676-F1686 HydrophobicContact CE2-CE2 3.81Å; F1676-F1686 HydrophobicContact CE2-CG 4.43Å; L1684-F1686 HydrophobicContact CB-CD2 4.44Å; L1684-F1686 HydrophobicContact CB-CE2 4.06Å; L1684-F1686 HydrophobicContact CD1-CE2 3.65Å; L1684-F1686 HydrophobicContact CD1-CZ 3.95Å; F1686-T1758 HydrophobicContact CD1-CG2 3.93Å; F1686-I1760 HydrophobicContact CD1-CD1 4.14Å; F1686-I1760 HydrophobicContact CD1-CG1 3.77Å; F1686-I1760 HydrophobicContact CD1-CG2 4.34Å; F1686-I1760 HydrophobicContact CE1-CD1 3.57Å; F1686-I1760 HydrophobicContact CE1-CG1 3.72Å; F1686-I1760 HydrophobicContact CE1-CG2 4.1Å; F1686-I1760 HydrophobicContact CZ-CD1 4.35Å; F1686-I1760 HydrophobicContact CZ-CG2 4.22Å; F1686-S1967 VanDerWaalsContact CD1-CB 3.43Å; F1686-S1967 VanDerWaalsContact CD1-OG 3.23Å; F1686-S1967 WeakPolarHBondContact CD1-OG 3.2Å; F1686-L1970 HydrophobicContact CE1-CD2 4.11Å; F1686-L1970 HydrophobicContact CZ-CD2 4.33Å; F1686-L1971 HydrophobicContact CZ-CG 4.46Å
1687L70.8Confident58.8Low16 Ų1669.8 Ų69.88%0.08436%0.361CS..EExtended strand (participates in β ladder)trans-125.5120.1178.3174.461.9000109.3I1667 L1673 L1689 R1759I1667-L1687 HydrophobicContact CG2-CD1 4.16Å; L1673-L1687 HydrophobicContact CD1-CB 4.09Å; L1673-L1687 HydrophobicContact CD1-CD1 3.94Å; L1687-L1689 HydrophobicContact CD1-CD2 4.14Å; L1687-L1689 HydrophobicContact CD2-CD1 4.44Å; L1687-L1689 HydrophobicContact CD2-CD2 3.95Å; L1687-L1689 HydrophobicContact CD2-CG 4.32Å; L1687-L1689 HydrophobicContact CG-CD2 3.83Å; L1687-L1689 HydrophobicContact CG-CG 4.04Å; L1687-R1759 PolarHBondContact N-O 3.29Å; L1687-R1759 PolarHBondContact O-N 3.48Å
1688S64.3Low56.2Low4 Ų477.9 Ų77.93%0.02840%0.403CS..EExtended strand (participates in β ladder)trans-96.7115179.4-163.20000110.9N1672 Y1757 Q1963N1672-S1688 WeakPolarHBondContact CB-O 3.39Å; N1672-S1688 PolarHBondContact ND2-O 3.35Å; N1672-S1688 PolarHBondContact O-N 3.07Å; S1688-Y1757 CarbonylContact C-O 3.57Å; S1688-Y1757 WeakPolarHBondContact CA-O 3.35Å; S1688-Q1963 WeakPolarHBondContact CB-O 3.43Å; S1688-Q1963 PolarHBondContact OG-O 3Å
1689L59.5Low54Low53 Ų5385.7 Ų85.728%0.27744%0.436SS..EExtended strand (participates in β ladder)trans-110.2137.2-174-63.2176.6000111.1L1687 F1756 Y1757L1687-L1689 HydrophobicContact CD1-CD2 4.14Å; L1687-L1689 HydrophobicContact CD2-CD1 4.44Å; L1687-L1689 HydrophobicContact CD2-CD2 3.95Å; L1687-L1689 HydrophobicContact CD2-CG 4.32Å; L1687-L1689 HydrophobicContact CG-CD2 3.83Å; L1687-L1689 HydrophobicContact CG-CG 4.04Å; L1689-F1756 CarbonylContact O-C 3.35Å; L1689-F1756 WeakPolarHBondContact O-CA 3.46Å; L1689-Y1757 PolarHBondContact N-O 3.24Å; L1689-Y1757 PolarHBondContact O-N 3.11Å
1690P48.2Very low51.8Low87 Ų8790.7 Ų90.757%0.56546%0.463SS*.EExtended strand (participates in β ladder)trans-72.7134.7174.730-33.8000111.3V1692 F1756P1690-V1692 PolarHBondContact O-N 3.01Å; P1690-F1756 HydrophobicContact CB-CD1 4.29Å; P1690-F1756 HydrophobicContact CB-CE1 4.14Å
1691I46.4Very low49.7Very low80 Ų8088 Ų8841%0.4146%0.463SS..  trans-75.4113177.2-61.5174000109.4K1693 K1755I1691-K1693 PolarHBondContact O-N 3.31Å; I1691-K1693 VanDerWaalsContact O-N 3.15Å; I1691-K1755 WeakPolarHBondContact CB-O 3.5Å; I1691-K1755 WeakPolarHBondContact CG1-O 3.5Å; I1691-K1755 PolarHBondContact N-O 3.1Å
1692V39.9Very low47.4Very low101 Ų10193.3 Ų93.361%0.61249%0.491SS*.  trans-70.1107.6178.1-178.90000109.7L1638 P1690 L1694L1638-V1692 HydrophobicContact CD1-CG1 4.33Å; L1638-V1692 HydrophobicContact CD2-CG1 4.19Å; P1690-V1692 PolarHBondContact O-N 3.01Å; V1692-L1694 PolarHBondContact O-N 3.24Å
1693K31Very low44.7Very low173 Ų17395.2 Ų95.275%0.75250%0.501SS*.PPolyproline II helixtrans-69.4129.2177.2-67.2-173.5175.8-173.50111.2I1691I1691-K1693 PolarHBondContact O-N 3.31Å; I1691-K1693 VanDerWaalsContact O-N 3.15Å
1694L27.4Very low41.9Very low155 Ų15599.9 Ų99.981%0.81253%0.526SS*.PPolyproline II helixtrans-63.4143.7171.2-135.773.7000110.5V1692V1692-L1694 PolarHBondContact O-N 3.24Å
1695P27.2Very low39.4Very low119 Ų119103.6 Ų103.677%0.77355%0.549SS*.PPolyproline II helixtrans-60.4137.3-175.4-27.436.8000114.6Q1697P1695-Q1697 PolarHBondContact O-N 2.86Å
1696V29.6Very low36.9Very low126 Ų126106.7 Ų106.776%0.76457%0.571SS**SBendtrans-90.181.6-168.4-171.10000111.5
1697Q25.3Very low35Very low183 Ų183111.6 Ų111.686%0.85560%0.603SS**  trans-127.57.5175.2-80.4-167.8-23.200115.6P1695P1695-Q1697 PolarHBondContact O-N 2.86Å
1698L24.6Very low32.8Very low173 Ų173117 Ų11791%0.90664%0.637SS**SBendtrans-130.150.5179.7-73.2171.1000113
1699K25.7Very low30.9Very low185 Ų185123 Ų12380%0.80467%0.674SS**  trans-137.797.6165.8-79.1-158.5172.2-162.90111.2
1700N23.4Very low29.3Very low164 Ų164127 Ų12788%0.87770%0.7SS**  trans-168117.5159.4-99.3-18.9000107.9
1701I26.1Very low28.1Very low156 Ų156127.7 Ų127.780%0.871%0.707SS**  trans156.4107.9155.6-83.2155.4000108.5
1702N26.5Very low27Very low125 Ų125128.9 Ų128.967%0.66872%0.722SS**  trans39133.5145-49.22.4000120.1
1703D23.5Very low26.2Very low79 Ų79129.7 Ų129.742%0.42272%0.723SS.*  cis70.5105.77.5-44.4-26.4000118.6L1792 N1793D1703-L1792 HydrophobicContact CB-CG 4.24Å; D1703-L1792 VanDerWaalsContact OD1-CD2 3.32Å; D1703-L1792 WeakPolarHBondContact OD1-CD2 3.48Å; D1703-N1793 CarbonylContact C-O 3.57Å; D1703-N1793 WeakPolarHBondContact CA-O 3.42Å
1704N25.7Very low26Very low99 Ų99128.7 Ų128.753%0.52972%0.719SS.*  trans149.488.4137.5-71-14.5000121.5N1793 E1794 P1795N1704-N1793 VanDerWaalsContact CA-CB 3.48Å; N1704-N1793 WeakPolarHBondContact CA-O 3.22Å; N1704-N1793 HydrophobicContact CB-CB 4.03Å; N1704-N1793 VanDerWaalsContact N-C 3.33Å; N1704-N1793 PolarHBondContact N-O 2.82Å; N1704-N1793 WeakPolarHBondContact OD1-CB 3.32Å; N1704-E1794 CarbonylContact C-O 3.42Å; N1704-P1795 VanDerWaalsContact N-CD 3.32Å
1705V28Very low25.9Very low92 Ų92127 Ų12756%0.55871%0.711SS**  trans132.6127.4136.91690000117.9N1793 E1794V1705-N1793 HydrophobicContact CG2-CB 4.16Å; V1705-E1794 CarbonylContact C-O 3.58Å; V1705-E1794 WeakPolarHBondContact CA-O 3.3Å; V1705-E1794 PolarHBondContact N-O 3.5Å
1706S27.8Very low25.8Very low70 Ų70127.7 Ų127.749%0.4971%0.707SS.*  cis178.9160.5-30.756.40000112.5N1793 E1794S1706-N1793 WeakPolarHBondContact CB-OD1 3.23Å; S1706-E1794 WeakPolarHBondContact CA-OE2 3.49Å
1707P34.2Very low25.4Very low104 Ų104128.8 Ų128.868%0.67572%0.715SS**  trans-109.8169.3-164.341.2-37.1000120.4
1708T25.3Very low25.3Very low129 Ų129129 Ų12979%0.79172%0.716SS**  trans-150125.3176.151.30000111.2
1709T24.7Very low25.2Very low131 Ų131128.7 Ų128.780%0.80471%0.714SS**  cis95.69647.459.10000116.7
1710V24.2Very low25Very low136 Ų136128.3 Ų128.382%0.82472%0.715SS**  trans-157.7101.9159.4-169.20000107.2
1711S23.4Very low25Very low102 Ų102126.9 Ų126.971%0.71371%0.712SS**  45.5139.190.265.10000116.9
1712S23.4Very low24.8Very low105 Ų105125.1 Ų125.173%0.73471%0.708SS**  cis-176.4166.1-6.4460000110.9
1713D24.4Very low24.6Very low117 Ų117127.3 Ų127.363%0.62672%0.715SS**  trans76.1117.6153.3-87.4-3.1000123.1
1714K25.6Very low24.5Very low153 Ų153133 Ų13367%0.66574%0.736SS**  70.1151.1124.6-65.5174.3-174.9123.20120.7
1715D25.3Very low24.4Very low120 Ų120135.6 Ų135.664%0.64275%0.75SS**  cis-154.5155.7-5-117-30.5000112.8
1716N24.4Very low24.1Very low132 Ų132136.5 Ų136.571%0.70675%0.751SS**  trans13.9134.1158.5-51.1-55.1000122.9
1717T23.1Very low24Very low150 Ų150137.8 Ų137.892%0.9276%0.76SS**  -155.5146.6123.3-4.50000112
1718E23.2Very low23.5Very low187 Ų187137 Ų13787%0.87475%0.754SS**  trans-88.8148.2-172.7-56167.7121.700112.4
1719L21.6Very low23.5Very low167 Ų167139.1 Ų139.187%0.87475%0.749SS**  trans-153.5162.5166.1-114.3168.7000112.7
1720Q22Very low23.4Very low176 Ų176136.9 Ų136.982%0.82274%0.738SS**  trans-86151.3-148.2-68.6166.1-20.900115.7
1721V22.3Very low23.5Very low135 Ų135138.7 Ų138.782%0.81873%0.732SS**  trans-77.6134171.6177.10000110.1
1722V21.7Very low23.5Very low118 Ų118139.3 Ų139.372%0.71573%0.726SS**  trans-106.5112.6168.9178.40000108.6F1724V1722-F1724 PolarHBondContact O-N 3.02Å
1723E22.1Very low23.6Very low172 Ų172137 Ų13780%0.80471%0.708SS**  trans-72.9122.5171.4-67.7-173.2119.700110.2N1725E1723-N1725 PolarHBondContact O-N 3.18Å
1724F22.1Very low23.7Very low199 Ų199140 Ų14087%0.87372%0.724SS**  trans-71110.7175.4-85.4-95.1000110.4V1722V1722-F1724 PolarHBondContact O-N 3.02Å
1725N23.2Very low23.7Very low153 Ų153136.1 Ų136.182%0.81872%0.716SS**  trans-78.4152.9-173.1-126.3-42.2000112.8E1723 S1727E1723-N1725 PolarHBondContact O-N 3.18Å; N1725-S1727 PolarHBondContact O-N 3.36Å
1726N23Very low23.5Very low110 Ų110138.6 Ų138.659%0.58872%0.717SS**SBendtrans-78.8106.7-165.8-73.4-104.7000113.3K1980N1726-K1980 PolarHBondContact OD1-NZ 3.45Å
1727S24.5Very low23.6Very low97 Ų97138.2 Ų138.268%0.67871%0.714SS**  trans179.8157.4141.841.30000112.3N1725N1725-S1727 PolarHBondContact O-N 3.36Å
1728T23.9Very low23.7Very low88 Ų88139 Ų13954%0.5471%0.713SS.*  trans63.792172.7-38.30000114.8I1532 S1730I1532-T1728 HydrophobicContact CD1-CG2 4.19Å; T1728-S1730 PolarHBondContact O-N 2.87Å
1729Y24.8Very low23.8Very low174 Ų174134.5 Ų134.568%0.68270%0.703SS**  trans-78.8112.4166.2-77.8-79.1000109.8H1981Y1729-H1981 AromaticContact CE2-CE1 3.68Å; Y1729-H1981 AromaticContact CE2-NE2 3.63Å; Y1729-H1981 AromaticContact CZ-CE1 3.8Å
1730S24.3Very low23.9Very low84 Ų84135.7 Ų135.759%0.58770%0.701SS**  trans-75.1143.7161.344.80000110.2T1728 L1732T1728-S1730 PolarHBondContact O-N 2.87Å; S1730-L1732 VanDerWaalsContact C-N 3.32Å; S1730-L1732 PolarHBondContact O-N 3.4Å
1731Y25.6Very low24Very low174 Ų174134.5 Ų134.568%0.68270%0.7SS**  trans-74.788168.3-70.4-84.5000108.7P1733Y1731-P1733 VanDerWaalsContact O-CD 3.29Å; Y1731-P1733 WeakPolarHBondContact O-CD 3.26Å
1732L24.1Very low24.1Very low114 Ų114135.2 Ų135.260%0.59770%0.704SS**  trans-64120.7-178.3-91.7145.5000112.2S1730 Y1736S1730-L1732 VanDerWaalsContact C-N 3.32Å; S1730-L1732 PolarHBondContact O-N 3.4Å; L1732-Y1736 HydrophobicContact CD2-CD2 3.82Å; L1732-Y1736 HydrophobicContact CD2-CG 4.21Å
1733P25.3Very low24.2Very low56 Ų56138.1 Ų138.136%0.36471%0.71SS.*  trans-63.6144150.6-11.328.8000108.5Y1731 S1735Y1731-P1733 VanDerWaalsContact O-CD 3.29Å; Y1731-P1733 WeakPolarHBondContact O-CD 3.26Å; P1733-S1735 PolarHBondContact O-N 3.22Å
1734L25.3Very low24.4Very low182 Ų182135.3 Ų135.395%0.95371%0.705SS**THydrogen-bonded Turntrans-74.414.2-174.1-83.8164.1000115
1735S25.7Very low24.5Very low70 Ų70132.2 Ų132.249%0.4970%0.697SS.*THydrogen-bonded Turntrans-99.28.1-172.249.10000115.4P1733 L1737P1733-S1735 PolarHBondContact O-N 3.22Å; S1735-L1737 VanDerWaalsContact C-N 3.32Å; S1735-L1737 PolarHBondContact O-N 3.33Å
1736Y22.2Very low24.5Very low173 Ų173129.4 Ų129.468%0.67869%0.689SS**  trans-7867.5-177-108.1-80.2000114.2L1732L1732-Y1736 HydrophobicContact CD2-CD2 3.82Å; L1732-Y1736 HydrophobicContact CD2-CG 4.21Å
1737L25.2Very low24.5Very low123 Ų123129 Ų12964%0.64470%0.695SS**  trans-125.3126.7163.8-71.3175.9000110S1735 V1907S1735-L1737 VanDerWaalsContact C-N 3.32Å; S1735-L1737 PolarHBondContact O-N 3.33Å; L1737-V1907 HydrophobicContact CD1-CG2 4.2Å
1738N26.3Very low24.6Very low166 Ų166133.6 Ų133.689%0.88870%0.703SS**  trans-94.8127.9-159.3-165.24.9000112.6
1739S24.3Very low24.7Very low94 Ų94135.2 Ų135.266%0.65772%0.717SS**  trans-94.6109.7-170.158.80000113.6
1740K23.5Very low24.7Very low192 Ų192132 Ų13284%0.83572%0.72SS**  trans-166.4144.8151-105.1139.1-169.5167.80112.4
1741D23.7Very low24.8Very low150 Ų150136.2 Ų136.280%0.80274%0.735SS**  trans87.1136.3168.2-52.1-16.2000119.1
1742V26.2Very low24.9Very low151 Ų151136 Ų13692%0.91574%0.744SS**  trans86.3149.4169.1-165.40000117.3
1743E22.6Very low25.4Very low178 Ų178134.7 Ų134.783%0.83274%0.741SS**  trans-127.6158.8-161.4-78-178.7125.100113.9
1744V25.7Very low26Very low114 Ų114135.7 Ų135.769%0.69174%0.744SS**  trans86133.2144.6160.60000121.8
1745D25.1Very low26.8Very low134 Ų134132.5 Ų132.572%0.71772%0.722SS**  trans73165.4161.7-74.8-13.5000122.2Q1902D1745-Q1902 PolarHBondContact O-NE2 2.97Å
1746S22.7Very low27.8Very low94 Ų94131.7 Ų131.766%0.65771%0.71SS**  trans-155.1152.6-145.663.20000115.3
1747S23.7Very low29.5Very low100 Ų100125.8 Ų125.870%0.69969%0.687SS**  161.5141.8118.758.80000116.8
1748K26.8Very low31.1Very low195 Ų195120.2 Ų120.285%0.84866%0.658SS**  trans77.6127.4150.5-72.5170-179.7174.40123
1749S26.9Very low33Very low121 Ų121114.4 Ų114.485%0.84662%0.623SS**  trans103.2151.9137.681.40000118.5
1750S24.5Very low35.1Very low107 Ų107110.5 Ų110.575%0.74860%0.595SS**  trans-125.4137.5-157.857.80000113.7
1751L25.4Very low37.6Very low172 Ų172102 Ų10290%0.90156%0.558SS**  trans-123.1154.3177.3-74.2164.3000111.4
1752I28.3Very low40Very low170 Ų17095.7 Ų95.787%0.87253%0.526SS*.  trans-126.7130.8178.8-62175000108.6
1753T34.1Very low42.9Very low86 Ų8688.8 Ų88.853%0.52848%0.483SS..  trans-116.3152.3-173.550.30000113.4
1754D37.3Very low45.8Very low78 Ų7880.5 Ų80.542%0.41745%0.445SS..  trans66.3173.8175.9-147-11.6000117
1755K42Very low48.6Very low115 Ų11575.2 Ų75.250%0.541%0.412SS..SBendtrans-118.4-16.8-174-60.1167.5-170.2145.30113I1691I1691-K1755 WeakPolarHBondContact CB-O 3.5Å; I1691-K1755 WeakPolarHBondContact CG1-O 3.5Å; I1691-K1755 PolarHBondContact N-O 3.1Å
1756F47.2Very low51Low53 Ų5368.9 Ų68.923%0.23238%0.379CS..EExtended strand (participates in β ladder)trans-126.7151.3-176.8-63.8-82.8000110.5L1689 P1690L1689-F1756 CarbonylContact O-C 3.35Å; L1689-F1756 WeakPolarHBondContact O-CA 3.46Å; P1690-F1756 HydrophobicContact CB-CD1 4.29Å; P1690-F1756 HydrophobicContact CB-CE1 4.14Å
1757Y58.3Low53.7Low49 Ų4964.5 Ų64.519%0.19235%0.348CS..EExtended strand (participates in β ladder)trans-121.6133.1-173.7-178.9-94.9000109.9S1688 L1689 R1759 D1772 S1774S1688-Y1757 CarbonylContact C-O 3.57Å; S1688-Y1757 WeakPolarHBondContact CA-O 3.35Å; L1689-Y1757 PolarHBondContact N-O 3.24Å; L1689-Y1757 PolarHBondContact O-N 3.11Å; Y1757-R1759 HydrophobicContact CE1-CB 4.27Å; Y1757-D1772 VanDerWaalsContact OH-CA 3.28Å; Y1757-D1772 WeakPolarHBondContact OH-CA 3.29Å; Y1757-D1772 WeakPolarHBondContact OH-CB 3.36Å; Y1757-D1772 PolarHBondContact OH-O 2.89Å; Y1757-D1772 PolarHBondContact OH-OD2 3.44Å; Y1757-S1774 WeakPolarHBondContact CE2-OG 3.46Å; Y1757-S1774 PolarHBondContact OH-OG 3.14Å
1758T58.6Low56.1Low6 Ų660.7 Ų60.74%0.03732%0.319CS..EExtended strand (participates in β ladder)trans-106.1109.4-179.1-56.20000110.6F1686 I1760 S1967F1686-T1758 HydrophobicContact CD1-CG2 3.93Å; T1758-I1760 HydrophobicContact CG2-CG1 4.35Å; T1758-S1967 WeakPolarHBondContact CG2-OG 3.47Å
1759R66.5Low58.1Low44 Ų4451.5 Ų51.517%0.16628%0.279CS..EExtended strand (participates in β ladder)trans-91.4131.1170.4175.8169.1-78.7166.1-3.8109.5L1687 Y1757 I1761 S1770 D1772L1687-R1759 PolarHBondContact N-O 3.29Å; L1687-R1759 PolarHBondContact O-N 3.48Å; Y1757-R1759 HydrophobicContact CE1-CB 4.27Å; R1759-I1761 HydrophobicContact CG-CG1 4.29Å; R1759-S1770 WeakPolarHBondContact CD-OG 3.48Å; R1759-S1770 VanDerWaalsContact CG-OG 3.27Å; R1759-S1770 WeakPolarHBondContact CG-OG 3.37Å; R1759-S1770 PolarHBondContact NE-OG 3.06Å; R1759-D1772 IonicContact CZ-OD1 2.75Å; R1759-D1772 IonicContact CZ-OD2 3.32Å; R1759-D1772 IonicContact NE-OD1 3.58Å; R1759-D1772 PolarHBondContact NE-OD1 3.19Å; R1759-D1772 IonicContact NE-OD2 3.5Å; R1759-D1772 PolarHBondContact NE-OD2 3.28Å; R1759-D1772 IonicContact NH2-OD1 3.36Å; R1759-D1772 PolarHBondContact NH2-OD1 3.09Å; R1759-D1772 IonicContact NH2-OD2 2.71Å; R1759-D1772 PolarHBondContact NH2-OD2 2.85Å
1760I68.4Low59.9Low12 Ų1245.9 Ų45.96%0.06224%0.239CC..EExtended strand (participates in β ladder)trans-113.6111.9178-45.8178.1000108.6L1684 F1686 T1758 W1771 V1773 L1970L1684-I1760 HydrophobicContact CD2-CG2 4.21Å; F1686-I1760 HydrophobicContact CD1-CD1 4.14Å; F1686-I1760 HydrophobicContact CD1-CG1 3.77Å; F1686-I1760 HydrophobicContact CD1-CG2 4.34Å; F1686-I1760 HydrophobicContact CE1-CD1 3.57Å; F1686-I1760 HydrophobicContact CE1-CG1 3.72Å; F1686-I1760 HydrophobicContact CE1-CG2 4.1Å; F1686-I1760 HydrophobicContact CZ-CD1 4.35Å; F1686-I1760 HydrophobicContact CZ-CG2 4.22Å; T1758-I1760 HydrophobicContact CG2-CG1 4.35Å; I1760-W1771 HydrophobicContact CB-CB 4.31Å; I1760-W1771 PolarHBondContact N-O 3.12Å; I1760-W1771 PolarHBondContact O-N 3.14Å; I1760-V1773 HydrophobicContact CD1-CG2 3.76Å; I1760-V1773 HydrophobicContact CG1-CG2 4.08Å; I1760-L1970 HydrophobicContact CD1-CD2 3.44Å; I1760-L1970 VanDerWaalsContact CD1-CD2 3.44Å
1761I75.1Confident61.5Low13 Ų1344.2 Ų44.27%0.06722%0.217CC..EExtended strand (participates in β ladder)trans-94.4111.5174.5-53.9174.2000108.2L1684 T1685 R1759 R1763 K1768 Y1769L1684-I1761 CarbonylContact C-O 3.5Å; L1684-I1761 WeakPolarHBondContact CA-O 3.41Å; T1685-I1761 PolarHBondContact N-O 3.45Å; T1685-I1761 PolarHBondContact O-N 3.21Å; R1759-I1761 HydrophobicContact CG-CG1 4.29Å; I1761-R1763 HydrophobicContact CG2-CG 4.46Å; I1761-K1768 HydrophobicContact CG2-CG 3.94Å; I1761-Y1769 CarbonylContact C-O 3.6Å; I1761-Y1769 VanDerWaalsContact CA-O 3.23Å; I1761-Y1769 WeakPolarHBondContact CA-O 3.32Å
1762T75.7Confident62.9Low18 Ų1838.1 Ų38.111%0.1119%0.185CC..EExtended strand (participates in β ladder)trans-84.9143.7168.260.30000109.3L1684 K1768 Y1769 W1771L1684-T1762 HydrophobicContact CD2-CG2 3.5Å; T1762-K1768 WeakPolarHBondContact O-CA 3.37Å; T1762-Y1769 PolarHBondContact N-O 3.19Å; T1762-Y1769 PolarHBondContact O-N 2.89Å; T1762-Y1769 WeakPolarHBondContact OG1-CB 3.4Å; T1762-Y1769 WeakPolarHBondContact OG1-CD2 3.44Å; T1762-W1771 PolarHBondContact OG1-NE1 3.19Å
1763R85.8Confident63.8Low5 Ų532.2 Ų32.22%0.01916%0.157CC..EExtended strand (participates in β ladder)trans-135118.4171.2-66.3177.7173.2901.6108.7I1682 I1683 T1685 I1761 G1767 K1768 L2001 D2002I1682-R1763 CarbonylContact C-O 3.59Å; I1682-R1763 WeakPolarHBondContact CA-O 3.35Å; I1683-R1763 HydrophobicContact CB-CB 4.33Å; I1683-R1763 PolarHBondContact N-O 3.12Å; I1683-R1763 PolarHBondContact O-N 3.2Å; T1685-R1763 PolarHBondContact OG1-NH1 2.69Å; I1761-R1763 HydrophobicContact CG2-CG 4.46Å; R1763-G1767 WeakPolarHBondContact CA-O 3.32Å; R1763-K1768 HydrophobicContact CG-CG 4.34Å; R1763-L2001 HydrophobicContact CB-CD2 4.44Å; R1763-D2002 WeakPolarHBondContact CD-OD1 3.25Å; R1763-D2002 IonicContact CZ-OD1 3.65Å; R1763-D2002 IonicContact CZ-OD2 2.96Å; R1763-D2002 IonicContact NE-OD1 3.62Å; R1763-D2002 PolarHBondContact NE-OD1 2.71Å; R1763-D2002 IonicContact NE-OD2 3.93Å; R1763-D2002 IonicContact NH2-OD1 3.81Å; R1763-D2002 IonicContact NH2-OD2 3.53Å; R1763-D2002 PolarHBondContact NH2-OD2 3.33Å
1764D83.9Confident64.3Low5 Ų531 Ų313%0.02715%0.152CC..  trans-142.2-168.7-176.965.440.2000112.4N1613 S1681 I1682 S1766 G1767 R2197N1613-D1764 PolarHBondContact ND2-OD2 3.45Å; S1681-D1764 WeakPolarHBondContact O-CA 3.39Å; I1682-D1764 HydrophobicContact CG1-CB 3.95Å; D1764-S1766 VanDerWaalsContact C-N 3.31Å; D1764-S1766 PolarHBondContact O-N 3.47Å; D1764-S1766 WeakPolarHBondContact OD1-CA 3.28Å; D1764-S1766 WeakPolarHBondContact OD1-CB 3.42Å; D1764-S1766 PolarHBondContact OD1-N 3.12Å; D1764-S1766 PolarHBondContact OD1-OG 3.32Å; D1764-G1767 PolarHBondContact N-O 3.23Å; D1764-G1767 PolarHBondContact O-N 2.97Å; D1764-G1767 PolarHBondContact OD1-N 3.43Å; D1764-R2197 PolarHBondContact O-NE 2.84Å; D1764-R2197 PolarHBondContact O-NH2 2.85Å
1765L83.5Confident64.3Low2 Ų236.2 Ų36.21%0.0117%0.167CC..SBendtrans-61.1-36.4178.3-59.4-175.8000113.3L1602 Q1605 M1606 A2198 L2201L1602-L1765 HydrophobicContact CD2-CD1 4.07Å; L1602-L1765 HydrophobicContact CD2-CD2 4.34Å; Q1605-L1765 HydrophobicContact CB-CD1 3.49Å; Q1605-L1765 VanDerWaalsContact CB-CD1 3.49Å; M1606-L1765 HydrophobicContact CB-CB 4.13Å; M1606-L1765 HydrophobicContact CG-CB 4.46Å; L1765-A2198 HydrophobicContact CD2-CB 3.53Å; L1765-L2201 HydrophobicContact CD2-CD1 3.99Å
1766S75.7Confident63.9Low2 Ų233.3 Ų33.31%0.01416%0.157CC..SBendtrans-82-30.1-17971.40000112.5D1764 Y1769 S2006D1764-S1766 VanDerWaalsContact C-N 3.31Å; D1764-S1766 PolarHBondContact O-N 3.47Å; D1764-S1766 WeakPolarHBondContact OD1-CA 3.28Å; D1764-S1766 WeakPolarHBondContact OD1-CB 3.42Å; D1764-S1766 PolarHBondContact OD1-N 3.12Å; D1764-S1766 PolarHBondContact OD1-OG 3.32Å; S1766-Y1769 VanDerWaalsContact C-OH 3.26Å; S1766-Y1769 WeakPolarHBondContact CB-OH 3.39Å; S1766-Y1769 PolarHBondContact O-OH 3.08Å; S1766-Y1769 WeakPolarHBondContact OG-CE2 3.31Å; S1766-Y1769 PolarHBondContact OG-OH 2.95Å; S1766-S2006 WeakPolarHBondContact O-CB 3.22Å
1767G79.7Confident63.1Low1 Ų139.9 Ų39.91%0.0118%0.181CC..  trans169.3-150.117700000116.6R1763 D1764 Y1769 R2197R1763-G1767 WeakPolarHBondContact CA-O 3.32Å; D1764-G1767 PolarHBondContact N-O 3.23Å; D1764-G1767 PolarHBondContact O-N 2.97Å; D1764-G1767 PolarHBondContact OD1-N 3.43Å; G1767-Y1769 PolarHBondContact N-OH 3.3Å; G1767-R2197 VanDerWaalsContact C-NH2 3.34Å; G1767-R2197 PolarHBondContact O-NH2 3.29Å
1768K75Confident61.8Low21 Ų2139.1 Ų39.19%0.09119%0.185CC..EExtended strand (participates in β ladder)trans-128.4126.9173.7170.9-165.3179.3174.50106.9T1629 I1761 T1762 R1763 D2002T1629-K1768 WeakPolarHBondContact OG1-CE 3.12Å; I1761-K1768 HydrophobicContact CG2-CG 3.94Å; T1762-K1768 WeakPolarHBondContact O-CA 3.37Å; R1763-K1768 HydrophobicContact CG-CG 4.34Å; K1768-D2002 HydrophobicContact CD-CB 4.15Å; K1768-D2002 VanDerWaalsContact CE-OD2 3.26Å; K1768-D2002 WeakPolarHBondContact CE-OD2 3.18Å; K1768-D2002 IonicContact NZ-OD2 2.66Å; K1768-D2002 PolarHBondContact NZ-OD2 3.28Å
1769Y68.8Low60.4Low1 Ų142.6 Ų42.60%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-131.5146.2-178.3-45.5-80.5000109.9N1613 H1614 V1625 L1627 I1761 T1762 S1766 G1767N1613-Y1769 HydrophobicContact CB-CD1 4.43Å; N1613-Y1769 HydrophobicContact CB-CD2 3.99Å; N1613-Y1769 HydrophobicContact CB-CE1 4.16Å; N1613-Y1769 HydrophobicContact CB-CE2 3.69Å; N1613-Y1769 HydrophobicContact CB-CG 4.33Å; N1613-Y1769 VanDerWaalsContact CG-CD2 3.47Å; N1613-Y1769 WeakPolarHBondContact ND2-CE2 3.39Å; N1613-Y1769 VanDerWaalsContact OD1-CD2 3.32Å; N1613-Y1769 WeakPolarHBondContact OD1-CD2 3.49Å; H1614-Y1769 AromaticContact CE1-CE1 3.94Å; H1614-Y1769 AromaticContact NE2-CE1 3.4Å; H1614-Y1769 WeakPolarHBondContact NE2-CE1 3.28Å; H1614-Y1769 AromaticContact NE2-CZ 3.47Å; H1614-Y1769 PolarHBondContact NE2-OH 2.99Å; V1625-Y1769 HydrophobicContact CG1-CD1 3.51Å; V1625-Y1769 HydrophobicContact CG1-CE1 4.43Å; V1625-Y1769 HydrophobicContact CG1-CG 3.88Å; L1627-Y1769 HydrophobicContact CD2-CE1 3.99Å; L1627-Y1769 HydrophobicContact CG-CE1 4.16Å; I1761-Y1769 CarbonylContact C-O 3.6Å; I1761-Y1769 VanDerWaalsContact CA-O 3.23Å; I1761-Y1769 WeakPolarHBondContact CA-O 3.32Å; T1762-Y1769 PolarHBondContact N-O 3.19Å; T1762-Y1769 PolarHBondContact O-N 2.89Å; T1762-Y1769 WeakPolarHBondContact OG1-CB 3.4Å; T1762-Y1769 WeakPolarHBondContact OG1-CD2 3.44Å; S1766-Y1769 VanDerWaalsContact C-OH 3.26Å; S1766-Y1769 WeakPolarHBondContact CB-OH 3.39Å; S1766-Y1769 PolarHBondContact O-OH 3.08Å; S1766-Y1769 WeakPolarHBondContact OG-CE2 3.31Å; S1766-Y1769 PolarHBondContact OG-OH 2.95Å; G1767-Y1769 PolarHBondContact N-OH 3.3Å
1770S63.8Low58.7Low3 Ų347.5 Ų47.52%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-112.8114.1173.2-173.50000108.8C1624 R1759 D1772C1624-S1770 VanDerWaalsContact O-O 3.08Å; R1759-S1770 WeakPolarHBondContact CD-OG 3.48Å; R1759-S1770 VanDerWaalsContact CG-OG 3.27Å; R1759-S1770 WeakPolarHBondContact CG-OG 3.37Å; R1759-S1770 PolarHBondContact NE-OG 3.06Å; S1770-D1772 PolarHBondContact OG-OD1 2.85Å
1771W58.9Low57Low73 Ų7351.4 Ų51.428%0.27726%0.263SS..EExtended strand (participates in β ladder)trans-92.9117.2173.6-61.178.9000108.4V1625 I1760 T1762 V1773V1625-W1771 HydrophobicContact CG2-CD2 3.48Å; V1625-W1771 VanDerWaalsContact CG2-CD2 3.48Å; V1625-W1771 VanDerWaalsContact CG2-CE2 3.41Å; V1625-W1771 HydrophobicContact CG2-CE3 3.54Å; V1625-W1771 HydrophobicContact CG2-CG 4.24Å; V1625-W1771 HydrophobicContact CG2-CH2 3.57Å; V1625-W1771 HydrophobicContact CG2-CZ2 3.49Å; V1625-W1771 VanDerWaalsContact CG2-CZ2 3.49Å; V1625-W1771 HydrophobicContact CG2-CZ3 3.59Å; I1760-W1771 HydrophobicContact CB-CB 4.31Å; I1760-W1771 PolarHBondContact N-O 3.12Å; I1760-W1771 PolarHBondContact O-N 3.14Å; T1762-W1771 PolarHBondContact OG1-NE1 3.19Å; W1771-V1773 HydrophobicContact CB-CG2 4.41Å; W1771-V1773 PolarHBondContact O-N 2.75Å
1772D53.4Low54.9Low44 Ų4456.6 Ų56.624%0.23529%0.291CS..EExtended strand (participates in β ladder)trans-103.172.6-165.9-104.153.2000109.8Y1757 R1759 S1770 S1774Y1757-D1772 VanDerWaalsContact OH-CA 3.28Å; Y1757-D1772 WeakPolarHBondContact OH-CA 3.29Å; Y1757-D1772 WeakPolarHBondContact OH-CB 3.36Å; Y1757-D1772 PolarHBondContact OH-O 2.89Å; Y1757-D1772 PolarHBondContact OH-OD2 3.44Å; R1759-D1772 IonicContact CZ-OD1 2.75Å; R1759-D1772 IonicContact CZ-OD2 3.32Å; R1759-D1772 IonicContact NE-OD1 3.58Å; R1759-D1772 PolarHBondContact NE-OD1 3.19Å; R1759-D1772 IonicContact NE-OD2 3.5Å; R1759-D1772 PolarHBondContact NE-OD2 3.28Å; R1759-D1772 IonicContact NH2-OD1 3.36Å; R1759-D1772 PolarHBondContact NH2-OD1 3.09Å; R1759-D1772 IonicContact NH2-OD2 2.71Å; R1759-D1772 PolarHBondContact NH2-OD2 2.85Å; S1770-D1772 PolarHBondContact OG-OD1 2.85Å; D1772-S1774 VanDerWaalsContact C-N 3.33Å; D1772-S1774 PolarHBondContact O-N 3.25Å; D1772-S1774 PolarHBondContact O-OG 3.11Å; D1772-S1774 VanDerWaalsContact O-OG 3.05Å
1773V48.3Very low52.6Low45 Ų4561.2 Ų61.227%0.27331%0.313SS..EExtended strand (participates in β ladder)trans-72.983.2-164.9-170.20000111.7I1760 W1771 L1776I1760-V1773 HydrophobicContact CD1-CG2 3.76Å; I1760-V1773 HydrophobicContact CG1-CG2 4.08Å; W1771-V1773 HydrophobicContact CB-CG2 4.41Å; W1771-V1773 PolarHBondContact O-N 2.75Å; V1773-L1776 HydrophobicContact CG1-CB 4.23Å; V1773-L1776 HydrophobicContact CG1-CD1 3.72Å; V1773-L1776 HydrophobicContact CG1-CG 3.65Å
1774S43.5Very low50.1Low61 Ų6168.6 Ų68.643%0.42735%0.345SS..  trans-80-18.2-175.8-570000114.2Y1757 D1772Y1757-S1774 WeakPolarHBondContact CE2-OG 3.46Å; Y1757-S1774 PolarHBondContact OH-OG 3.14Å; D1772-S1774 VanDerWaalsContact C-N 3.33Å; D1772-S1774 PolarHBondContact O-N 3.25Å; D1772-S1774 PolarHBondContact O-OG 3.11Å; D1772-S1774 VanDerWaalsContact O-OG 3.05Å
1775Y37.9Very low47.7Very low188 Ų18877.4 Ų77.474%0.73739%0.386SS*.  trans-137.436.1-163.8-55.7-65.6000114.4Y1777Y1775-Y1777 PolarHBondContact O-N 3.36Å; Y1775-Y1777 VanDerWaalsContact O-N 3.12Å
1776L34.3Very low45.2Very low54 Ų5485.6 Ų85.628%0.28342%0.421SS..  trans-72.3101.8159.9-89.5172000108.2V1773 A1778 N1966V1773-L1776 HydrophobicContact CG1-CB 4.23Å; V1773-L1776 HydrophobicContact CG1-CD1 3.72Å; V1773-L1776 HydrophobicContact CG1-CG 3.65Å; L1776-A1778 PolarHBondContact O-N 3.34Å; L1776-A1778 VanDerWaalsContact O-N 3.15Å; L1776-N1966 HydrophobicContact CD1-CB 4Å
1777Y29.9Very low43Very low190 Ų19092.7 Ų92.775%0.74545%0.454SS*.  trans-51.1115-175.7-66.3-83.3000112.5Y1775Y1775-Y1777 PolarHBondContact O-N 3.36Å; Y1775-Y1777 VanDerWaalsContact O-N 3.12Å
1778A30.3Very low40.6Very low34 Ų34101 Ų10128%0.28149%0.493SS..  trans-71.7142.5174.100000110.9L1776L1776-A1778 PolarHBondContact O-N 3.34Å; L1776-A1778 VanDerWaalsContact O-N 3.15Å
1779S30.8Very low38.3Very low79 Ų79106.4 Ų106.455%0.55252%0.523SS*.  trans-62.5137.6179.2-176.80000111.9V1781S1779-V1781 PolarHBondContact O-N 2.6Å
1780L29.6Very low36.3Very low146 Ų146114.9 Ų114.976%0.76456%0.562SS**THydrogen-bonded Turntrans-65.1-4.6-168.9-142.393.1000115.4
1781V33.8Very low34.4Very low94 Ų94124.2 Ų124.257%0.5761%0.606SS**Hα-helixtrans-67.7-39.1-170.1-179.20000112.6S1779 M1783 K1784S1779-V1781 PolarHBondContact O-N 2.6Å; V1781-M1783 PolarHBondContact O-N 3.09Å; V1781-K1784 PolarHBondContact O-N 3.36Å; V1781-K1784 VanDerWaalsContact O-N 3.08Å
1782D29.7Very low32.8Very low123 Ų123126 Ų12666%0.65862%0.62SS**Hα-helixtrans-65.2-6.5-171.7-116.744.6000114.5
1783M27.6Very low31.6Very low115 Ų115126.9 Ų126.957%0.56763%0.625SS**Hα-helixtrans-97.7-28.4174.5-67.6-83.871.800114.4V1781 E1785 K1786V1781-M1783 PolarHBondContact O-N 3.09Å; M1783-E1785 PolarHBondContact O-N 2.79Å; M1783-K1786 PolarHBondContact O-N 2.79Å
1784K33.4Very low30.9Very low160 Ų160129.5 Ų129.570%0.69663%0.634SS**Hα-helixtrans-66.5-41.8-172.2-87.8-173.1173178.80113.4V1781 K1786 Q1787V1781-K1784 PolarHBondContact O-N 3.36Å; V1781-K1784 VanDerWaalsContact O-N 3.08Å; K1784-K1786 PolarHBondContact O-N 2.92Å; K1784-Q1787 PolarHBondContact O-N 2.96Å
1785E33.5Very low30.4Very low189 Ų189130.1 Ų130.188%0.88364%0.637SS**Hα-helixtrans-64.3-4.9178.6-71.6-162.9147.700114.7M1783M1783-E1785 PolarHBondContact O-N 2.79Å
1786K31.3Very low30.2Very low175 Ų175126.7 Ų126.776%0.76164%0.635SS**Hα-helixtrans-119.7-5.2-179.1-73.4-170174.8-179.20116.1M1783 K1784M1783-K1786 PolarHBondContact O-N 2.79Å; K1784-K1786 PolarHBondContact O-N 2.92Å
1787Q29Very low29.9Very low150 Ų150130.8 Ų130.870%0.70166%0.658SS**Hα-helixtrans-106.7-6.3-179.7-74.1-171.7-38.700115.1K1784 N1789K1784-Q1787 PolarHBondContact O-N 2.96Å; Q1787-N1789 PolarHBondContact O-N 2.73Å; Q1787-N1789 VanDerWaalsContact O-N 3.12Å
1788E30.5Very low29.7Very low176 Ų176128.5 Ų128.582%0.82266%0.664SS**THydrogen-bonded Turntrans-67.2-7.8172.4-66.2-164.7148.300114.3
1789N26.2Very low29.4Very low135 Ų135133.8 Ų133.872%0.72269%0.687SS**THydrogen-bonded Turntrans-13063-176.9-83-71.4000114Q1787Q1787-N1789 PolarHBondContact O-N 2.73Å; Q1787-N1789 VanDerWaalsContact O-N 3.12Å
1790Q25.8Very low28.9Very low179 Ų179137.7 Ų137.784%0.83670%0.701SS**  trans-172.5126.7137.2-103.5140.380.200111.3L1792Q1790-L1792 PolarHBondContact O-N 3.06Å
1791Q23.7Very low28.6Very low199 Ų199142.2 Ų142.293%0.9371%0.708SS**  trans-76.6117.5172.8-75.8179-31.800110
1792L26.9Very low28.2Very low110 Ų110145.3 Ų145.358%0.57672%0.72SS**  trans-103.5168.8168.2-134.170000109.2D1703 Q1790D1703-L1792 HydrophobicContact CB-CG 4.24Å; D1703-L1792 VanDerWaalsContact OD1-CD2 3.32Å; D1703-L1792 WeakPolarHBondContact OD1-CD2 3.48Å; Q1790-L1792 PolarHBondContact O-N 3.06Å
1793N27.7Very low27.9Very low63 Ų63146.3 Ų146.334%0.33773%0.73SS.*  trans-142.4161169.8-79.5-52.7000106.3D1703 N1704 V1705 S1706D1703-N1793 CarbonylContact C-O 3.57Å; D1703-N1793 WeakPolarHBondContact CA-O 3.42Å; N1704-N1793 VanDerWaalsContact CA-CB 3.48Å; N1704-N1793 WeakPolarHBondContact CA-O 3.22Å; N1704-N1793 HydrophobicContact CB-CB 4.03Å; N1704-N1793 VanDerWaalsContact N-C 3.33Å; N1704-N1793 PolarHBondContact N-O 2.82Å; N1704-N1793 WeakPolarHBondContact OD1-CB 3.32Å; V1705-N1793 HydrophobicContact CG2-CB 4.16Å; S1706-N1793 WeakPolarHBondContact CB-OD1 3.23Å
1794E32.6Very low27.8Very low99 Ų99147.6 Ų147.646%0.46374%0.74SS.*  trans-122126-172.1-20.278.589.200114.9N1704 V1705 S1706N1704-E1794 CarbonylContact C-O 3.42Å; V1705-E1794 CarbonylContact C-O 3.58Å; V1705-E1794 WeakPolarHBondContact CA-O 3.3Å; V1705-E1794 PolarHBondContact N-O 3.5Å; S1706-E1794 WeakPolarHBondContact CA-OE2 3.49Å
1795P34.7Very low27.5Very low75 Ų75145.5 Ų145.549%0.48775%0.745SS.*  trans-100.5170.3-16437.9-31.5000116.4N1704N1704-P1795 VanDerWaalsContact N-CD 3.32Å
1796T32.3Very low27.1Very low115 Ų115143.8 Ų143.871%0.70674%0.742SS**  trans-133.6142.4-167.855.90000120
1797N28.7Very low26.7Very low141 Ų141142.3 Ų142.375%0.75474%0.743SS**  trans54.6132.4140.8-64.1-22.7000124.1
1798T24.7Very low26.6Very low142 Ų142140.9 Ų140.987%0.87175%0.749SS**  -164.7168.9109.812.90000113.3
1799N24Very low26.4Very low145 Ų145139.9 Ų139.978%0.77575%0.749SS**  trans-107.2166.7-167.1-52.6-79.6000114
1800L22.1Very low26.4Very low160 Ų160139 Ų13984%0.83875%0.754SS**  trans171.4111.5142.6-90.5158.3000107.7
1801R22.3Very low26.4Very low241 Ų241139.1 Ų139.191%0.90975%0.754SS**  82.313574.9-91-166.7171.7-177.7-2.1116.1
1802L24.9Very low26.5Very low160 Ų160136.3 Ų136.384%0.83874%0.744SS**  trans-82.1161.6-179.6-59.895.5000113.4
1803V23.1Very low26.4Very low143 Ų143138.7 Ų138.787%0.86776%0.756SS**  trans-144.6140.2157.8179.70000108.3
1804D26.6Very low26.3Very low143 Ų143142.1 Ų142.177%0.76578%0.78SS**  trans-89.6168.5-178.9-50.6-83.1000113.7
1805S27.8Very low25.9Very low115 Ų115148.8 Ų148.880%0.80480%0.801SS**  trans-156.8135167.361.80000112.4
1806D23.4Very low25.4Very low153 Ų153152.5 Ų152.582%0.81882%0.816SS**  trans-92.6176.7-164.6-60.7-74.5000117.2
1807D24.4Very low25.1Very low145 Ų145151.3 Ų151.378%0.77581%0.811SS**  trans63.2118.2151.6-82.7-25.2000121.8
1808S27.2Very low25Very low119 Ų119147.5 Ų147.583%0.83279%0.794SS**  -173.6151.9101.9370000113.2
1809N25.4Very low25.1Very low155 Ų155145.2 Ų145.283%0.82978%0.781SS**  trans-94.1144.6-178.9-69.5-74.3000112.5
1810S26.1Very low25.1Very low117 Ų117142.6 Ų142.682%0.81877%0.773SS**  trans-148.4151.6151.466.90000111
1811H26.4Very low25.2Very low182 Ų182140 Ų14084%0.84377%0.765SS**  trans-89134.3-161.7-77.2-100.4000114.6
1812L24.5Very low25.4Very low139 Ų139131.1 Ų131.173%0.72874%0.739SS**  trans-71.4127.7159.4-72.7154.6000110.3
1813I26.2Very low25.5Very low161 Ų161130 Ų13083%0.82674%0.742SS**  trans-128.9125.1152.5-66.4-175.7000107.5
1814T24.8Very low25.5Very low135 Ų135133.6 Ų133.683%0.82874%0.74SS**  trans-68.3147.6-178.642.60000112.1
1815R23.7Very low25.7Very low239 Ų239133.4 Ų133.490%0.90274%0.743SS**  trans-145.5125.6167-150.6173.7-172.3-176.7-0108.6
1816D24.6Very low25.5Very low152 Ų152134.9 Ų134.981%0.81374%0.742SS**PPolyproline II helixtrans-59.4133.4-166.5-59.6-75.7000112.5P1818D1816-P1818 WeakPolarHBondContact O-CD 3.28Å
1817P26.7Very low25.5Very low91 Ų91132.9 Ų132.959%0.59174%0.737SS**PPolyproline II helixtrans-69.9120.8-175.725.2-32.3000111
1818P25.4Very low25.6Very low61 Ų61131.3 Ų131.340%0.39674%0.735SS.*PPolyproline II helixtrans-63.7158.217226.2-33.4000111.6S1030 D1816 C1820 K1868S1030-P1818 WeakPolarHBondContact OG-CB 3.21Å; D1816-P1818 WeakPolarHBondContact O-CD 3.28Å; P1818-C1820 PolarHBondContact O-N 3.26Å; P1818-K1868 PolarHBondContact O-NZ 2.97Å
1819P27Very low25.6Very low94 Ų94131.4 Ų131.461%0.6173%0.733SS**PPolyproline II helixtrans-57.4133.5-17923.7-34.4000111.1
1820C23.6Very low25.5Very low90 Ų90131.6 Ų131.661%0.60873%0.733SS**PPolyproline II helixtrans-64.7126.6-178.8-67.10000110.7P1818 K1868P1818-C1820 PolarHBondContact O-N 3.26Å; C1820-K1868 WeakPolarHBondContact SG-CE 3.49Å
1821P24.7Very low25.4Very low104 Ų104133.5 Ų133.568%0.67573%0.732SS**PPolyproline II helixtrans-63.6153.3159.629.8-33.5000109.4
1822P26.1Very low25.4Very low55 Ų55131 Ų13136%0.35773%0.73SS.*PPolyproline II helixtrans-60.5156.3178.926.9-36000111.4R1824 L2035P1822-R1824 PolarHBondContact O-N 2.78Å; P1822-L2035 HydrophobicContact CB-CD1 4.39Å; P1822-L2035 HydrophobicContact CG-CD1 3.74Å
1823P26.9Very low25.3Very low137 Ų137131 Ų13189%0.8973%0.731SS**  trans-65.789.1-173.127.3-35.5000111.7V1825P1823-V1825 PolarHBondContact O-N 3.25Å
1824R24.6Very low25.2Very low219 Ų219128.1 Ų128.183%0.82673%0.725SS**  trans-62.7130.2173.4-74.4-175.8172.4-179.4-2.7109.3P1822 N1826P1822-R1824 PolarHBondContact O-N 2.78Å; R1824-N1826 PolarHBondContact O-N 2.63Å
1825V29.5Very low25.3Very low138 Ų138129.9 Ų129.984%0.83673%0.728SS**  trans-23.6121.1173.9-177.60000112.7P1823 P1827P1823-V1825 PolarHBondContact O-N 3.25Å; V1825-P1827 VanDerWaalsContact O-N 3.1Å
1826N24.4Very low25.6Very low147 Ų147123.2 Ų123.279%0.78672%0.724SS**  trans-44.4117177.1-73.6-46.5000110.6R1824R1824-N1826 PolarHBondContact O-N 2.63Å
1827P23.7Very low26.2Very low110 Ų110121.3 Ų121.371%0.71472%0.72SS**PPolyproline II helixtrans-62.4134.8-179.624.5-32.7000109.4V1825V1825-P1827 VanDerWaalsContact O-N 3.1Å
1828P25.3Very low26.2Very low113 Ų113123.4 Ų123.473%0.73473%0.727SS**PPolyproline II helixtrans-62.8143.1-176.125.6-34000110.6L1830P1828-L1830 PolarHBondContact O-N 3.36Å
1829P28.2Very low26.5Very low120 Ų120126.1 Ų126.178%0.77974%0.742SS**PPolyproline II helixtrans-62.7127.5-171.324.7-34.2000111.5I1831P1829-I1831 PolarHBondContact O-N 2.83Å
1830L23.4Very low26.6Very low160 Ų160129.7 Ų129.784%0.83876%0.755SS**PPolyproline II helixtrans-62.4124.4174.2-78.8167000110P1828 T1832P1828-L1830 PolarHBondContact O-N 3.36Å; L1830-T1832 PolarHBondContact O-N 2.86Å
1831I24.7Very low27Very low156 Ų156133 Ų13380%0.877%0.766SS**  trans-77.886-178.3-54.2173.5000108.8P1829P1829-I1831 PolarHBondContact O-N 2.83Å
1832T25.4Very low27.4Very low130 Ų130136 Ų13680%0.79877%0.771SS**  trans-87.2122.517146.80000110.2L1830L1830-T1832 PolarHBondContact O-N 2.86Å
1833N23Very low27.7Very low140 Ų140141.7 Ų141.775%0.74980%0.797SS**  trans-81.1133.7-173.7-79.4-42.6000112.9
1834S24Very low28.1Very low99 Ų99139.6 Ų139.669%0.69278%0.779SS**  trans64.8131.1141.167.20000121.7
1835L26Very low28.7Very low172 Ų172138.7 Ų138.790%0.90178%0.776SS**  trans77.480.1143.4-66.3161.9000120.1
1836A30.9Very low28.9Very low99 Ų99137.8 Ų137.882%0.81877%0.765SS**  trans-147.1135.1133.600000109.4
1837P36.7Very low29.5Very low112 Ų112133 Ų13373%0.72774%0.743SS**  trans-109.9179.7-174.541.5-35.8000114.7
1838N27.8Very low30.3Very low136 Ų136129.6 Ų129.673%0.72773%0.728SS**  trans8683.2163.4-57.7-11.5000118.8
1839T31Very low30.8Very low117 Ų117126.7 Ų126.772%0.71871%0.708SS**  42.399122.357.50000118.9
1840I29.6Very low31.4Very low170 Ų170125.4 Ų125.487%0.87269%0.694SS**SBend-157.799.4102.5-86.1144.7000106
1841D30.8Very low32.2Very low158 Ų158125.8 Ų125.885%0.84569%0.685SS**  trans-167.311.3173.2-124.6-10.3000114.9L1843D1841-L1843 PolarHBondContact O-N 3.01Å; D1841-L1843 VanDerWaalsContact O-N 3.13Å
1842Q33.7Very low33Very low169 Ų169122 Ų12279%0.7967%0.666SS**THydrogen-bonded Turntrans-84.125.2-175.8-69.8-162-5.400114.4
1843L32.9Very low33.7Very low173 Ų173116.8 Ų116.891%0.90663%0.633SS**THydrogen-bonded Turntrans-123.624.6-173.4-143.378.3000116.1D1841D1841-L1843 PolarHBondContact O-N 3.01Å; D1841-L1843 VanDerWaalsContact O-N 3.13Å
1844D34Very low34.5Very low94 Ų94111.9 Ų111.950%0.50361%0.612SS.*  trans-117.787152.6-174.113.2000111.7L1846 S1847D1844-L1846 VanDerWaalsContact C-N 3.34Å; D1844-L1846 WeakPolarHBondContact OD1-CA 3.49Å; D1844-L1846 WeakPolarHBondContact OD1-CB 3.19Å; D1844-L1846 PolarHBondContact OD1-N 2.98Å; D1844-S1847 VanDerWaalsContact CG-OG 3.26Å; D1844-S1847 PolarHBondContact OD1-N 3.11Å; D1844-S1847 WeakPolarHBondContact OD2-CB 3.28Å; D1844-S1847 PolarHBondContact OD2-N 3.22Å; D1844-S1847 PolarHBondContact OD2-OG 3.28Å
1845R37.5Very low35.2Very low200 Ų200112.2 Ų112.276%0.75561%0.605SS**Hα-helixtrans-84-11.2165.1-68.1-173.5179.1-169.7-0.3112.3V1849R1845-V1849 WeakPolarHBondContact O-CB 3.13Å; R1845-V1849 VanDerWaalsContact O-CG2 3.24Å; R1845-V1849 WeakPolarHBondContact O-CG2 3.38Å; R1845-V1849 PolarHBondContact O-N 2.62Å
1846L34.8Very low35.7Very low118 Ų118108.7 Ų108.762%0.61859%0.591SS**Hα-helixtrans-75.7-47.5-176.5-176.660.4000110.8D1844 G1848 V1849 L1850D1844-L1846 VanDerWaalsContact C-N 3.34Å; D1844-L1846 WeakPolarHBondContact OD1-CA 3.49Å; D1844-L1846 WeakPolarHBondContact OD1-CB 3.19Å; D1844-L1846 PolarHBondContact OD1-N 2.98Å; L1846-G1848 VanDerWaalsContact C-N 3.27Å; L1846-G1848 PolarHBondContact O-N 2.91Å; L1846-V1849 CarbonylContact O-C 3.52Å; L1846-V1849 PolarHBondContact O-N 3.17Å; L1846-V1849 VanDerWaalsContact O-N 3.11Å; L1846-L1850 HydrophobicContact CD1-CD1 4.35Å; L1846-L1850 HydrophobicContact CD1-CG 4.21Å; L1846-L1850 HydrophobicContact CG-CD1 4.02Å; L1846-L1850 HydrophobicContact CG-CG 4.35Å; L1846-L1850 WeakPolarHBondContact O-CB 3.18Å; L1846-L1850 VanDerWaalsContact O-CG 3.32Å; L1846-L1850 WeakPolarHBondContact O-CG 3.37Å; L1846-L1850 PolarHBondContact O-N 3.31Å
1847S36.4Very low35.9Very low47 Ų47105.3 Ų105.333%0.32956%0.561SS.*Hα-helixtrans-63.3-34.5173.666.50000112.4D1844 R1851D1844-S1847 VanDerWaalsContact CG-OG 3.26Å; D1844-S1847 PolarHBondContact OD1-N 3.11Å; D1844-S1847 WeakPolarHBondContact OD2-CB 3.28Å; D1844-S1847 PolarHBondContact OD2-N 3.22Å; D1844-S1847 PolarHBondContact OD2-OG 3.28Å; S1847-R1851 WeakPolarHBondContact O-CB 3.44Å; S1847-R1851 PolarHBondContact O-N 2.85Å
1848G39.5Very low35.8Very low38 Ų38101.2 Ų101.239%0.39253%0.534SS..Hα-helixtrans-60.9-46.617000000112.3L1846 D1852L1846-G1848 VanDerWaalsContact C-N 3.27Å; L1846-G1848 PolarHBondContact O-N 2.91Å; G1848-D1852 WeakPolarHBondContact O-CB 3.32Å; G1848-D1852 PolarHBondContact O-N 3.45Å
1849V37.6Very low36.2Very low52 Ų5297.3 Ų97.332%0.31551%0.512SS..Hα-helixtrans-66.9-43.7177163.10000112.1K1622 R1845 L1846 R1851 D1852 L1853K1622-V1849 HydrophobicContact CD-CG1 4.31Å; R1845-V1849 WeakPolarHBondContact O-CB 3.13Å; R1845-V1849 VanDerWaalsContact O-CG2 3.24Å; R1845-V1849 WeakPolarHBondContact O-CG2 3.38Å; R1845-V1849 PolarHBondContact O-N 2.62Å; L1846-V1849 CarbonylContact O-C 3.52Å; L1846-V1849 PolarHBondContact O-N 3.17Å; L1846-V1849 VanDerWaalsContact O-N 3.11Å; V1849-R1851 VanDerWaalsContact C-N 3.33Å; V1849-R1851 PolarHBondContact O-N 3.14Å; V1849-D1852 WeakPolarHBondContact O-CB 3.34Å; V1849-D1852 PolarHBondContact O-N 3.17Å; V1849-L1853 WeakPolarHBondContact O-CB 3.41Å; V1849-L1853 PolarHBondContact O-N 3.48Å
1850L39.7Very low36.3Very low93 Ų9393.4 Ų93.449%0.48749%0.489SS..Hα-helixtrans-62.9-39.3177.3-71.9171.1000111.2L1846 L1853 A1854L1846-L1850 HydrophobicContact CD1-CD1 4.35Å; L1846-L1850 HydrophobicContact CD1-CG 4.21Å; L1846-L1850 HydrophobicContact CG-CD1 4.02Å; L1846-L1850 HydrophobicContact CG-CG 4.35Å; L1846-L1850 WeakPolarHBondContact O-CB 3.18Å; L1846-L1850 VanDerWaalsContact O-CG 3.32Å; L1846-L1850 WeakPolarHBondContact O-CG 3.37Å; L1846-L1850 PolarHBondContact O-N 3.31Å; L1850-L1853 PolarHBondContact O-N 3.27Å; L1850-A1854 VanDerWaalsContact O-CB 3.29Å; L1850-A1854 WeakPolarHBondContact O-CB 3.31Å; L1850-A1854 PolarHBondContact O-N 3.22Å
1851R40.9Very low36.3Very low169 Ų16988 Ų8864%0.63847%0.466SS*.Hα-helixtrans-65.6-42.6173.7-166.8-177.5-56172.45.2112S1847 V1849 L1853 I1855S1847-R1851 WeakPolarHBondContact O-CB 3.44Å; S1847-R1851 PolarHBondContact O-N 2.85Å; V1849-R1851 VanDerWaalsContact C-N 3.33Å; V1849-R1851 PolarHBondContact O-N 3.14Å; R1851-L1853 VanDerWaalsContact C-N 3.33Å; R1851-I1855 HydrophobicContact CG-CD1 4.27Å; R1851-I1855 WeakPolarHBondContact O-CD1 3.3Å; R1851-I1855 WeakPolarHBondContact O-CG1 3.18Å; R1851-I1855 PolarHBondContact O-N 2.83Å; R1851-I1855 VanDerWaalsContact O-N 3.16Å
1852D41.5Very low36.3Very low77 Ų7786.6 Ų86.641%0.41246%0.457SS..Hα-helixtrans-59.4-44.9171.8-119.125.1000111G1848 V1849 I1855 T1856G1848-D1852 WeakPolarHBondContact O-CB 3.32Å; G1848-D1852 PolarHBondContact O-N 3.45Å; V1849-D1852 WeakPolarHBondContact O-CB 3.34Å; V1849-D1852 PolarHBondContact O-N 3.17Å; D1852-I1855 PolarHBondContact O-N 3.3Å; D1852-T1856 PolarHBondContact O-N 2.83Å; D1852-T1856 PolarHBondContact O-OG1 2.78Å
1853L39Very low35.9Very low20 Ų2085.8 Ų85.811%0.10546%0.458CS..Hα-helixtrans-66.6-45.1-177.5-132157.9000111.1V1849 L1850 R1851 I1855 T1856 S1857 C1860V1849-L1853 WeakPolarHBondContact O-CB 3.41Å; V1849-L1853 PolarHBondContact O-N 3.48Å; L1850-L1853 PolarHBondContact O-N 3.27Å; R1851-L1853 VanDerWaalsContact C-N 3.33Å; L1853-I1855 PolarHBondContact O-N 2.79Å; L1853-T1856 PolarHBondContact O-N 3.27Å; L1853-S1857 CarbonylContact O-C 3.59Å; L1853-S1857 VanDerWaalsContact O-C 3.3Å; L1853-S1857 WeakPolarHBondContact O-CA 3.46Å; L1853-S1857 PolarHBondContact O-N 3.11Å; L1853-S1857 VanDerWaalsContact O-O 3.13Å; L1853-C1860 HydrophobicContact CD2-CB 3.49Å; L1853-C1860 VanDerWaalsContact CD2-CB 3.49Å; L1853-C1860 WeakPolarHBondContact CD2-SG 3.44Å
1854A40.8Very low35.5Very low37 Ų3788 Ų8831%0.30646%0.455SS..Hα-helixtrans-58.9-29.5172.400000113.4L1850 P1858 S1861L1850-A1854 VanDerWaalsContact O-CB 3.29Å; L1850-A1854 WeakPolarHBondContact O-CB 3.31Å; L1850-A1854 PolarHBondContact O-N 3.22Å; A1854-P1858 WeakPolarHBondContact O-CA 3.39Å; A1854-P1858 WeakPolarHBondContact O-CG 3.24Å; A1854-S1861 WeakPolarHBondContact CA-OG 3.27Å; A1854-S1861 VanDerWaalsContact CB-OG 3.24Å; A1854-S1861 WeakPolarHBondContact CB-OG 3.29Å
1855I39.3Very low35.1Very low106 Ų10688.4 Ų88.454%0.54446%0.464SS..Hα-helixtrans-83-37.2177.3-69.8166000112.1R1851 D1852 L1853R1851-I1855 HydrophobicContact CG-CD1 4.27Å; R1851-I1855 WeakPolarHBondContact O-CD1 3.3Å; R1851-I1855 WeakPolarHBondContact O-CG1 3.18Å; R1851-I1855 PolarHBondContact O-N 2.83Å; R1851-I1855 VanDerWaalsContact O-N 3.16Å; D1852-I1855 PolarHBondContact O-N 3.3Å; L1853-I1855 PolarHBondContact O-N 2.79Å
1856T34.5Very low34.4Very low98 Ų9885.9 Ų85.960%0.60147%0.471SS*.Hα-helixtrans-91.3-28.7-176.7580000114.7D1852 L1853D1852-T1856 PolarHBondContact O-N 2.83Å; D1852-T1856 PolarHBondContact O-OG1 2.78Å; L1853-T1856 PolarHBondContact O-N 3.27Å
1857S36Very low33.9Very low27 Ų2784 Ų8419%0.18947%0.467CS..  trans-138.776.3179.3-890000109L1853 E1859 C1860L1853-S1857 CarbonylContact O-C 3.59Å; L1853-S1857 VanDerWaalsContact O-C 3.3Å; L1853-S1857 WeakPolarHBondContact O-CA 3.46Å; L1853-S1857 PolarHBondContact O-N 3.11Å; L1853-S1857 VanDerWaalsContact O-O 3.13Å; S1857-E1859 VanDerWaalsContact CA-CD 3.45Å; S1857-E1859 WeakPolarHBondContact CA-OE1 3.48Å; S1857-E1859 VanDerWaalsContact CA-OE2 3.32Å; S1857-E1859 WeakPolarHBondContact CA-OE2 3.26Å; S1857-E1859 VanDerWaalsContact CB-CD 3.46Å; S1857-E1859 WeakPolarHBondContact CB-OE1 3.32Å; S1857-E1859 PolarHBondContact O-N 3.42Å; S1857-E1859 VanDerWaalsContact O-N 3.09Å; S1857-E1859 PolarHBondContact OG-OE1 3.46Å; S1857-C1860 WeakPolarHBondContact O-CB 3.41Å; S1857-C1860 PolarHBondContact O-N 3.18Å
1858P34.7Very low33.4Very low27 Ų2785.8 Ų85.818%0.17547%0.469CS..G310 helixtrans-61.9-17.4-178-22.635.9000113.6A1854 C1860 S1861 W2046A1854-P1858 WeakPolarHBondContact O-CA 3.39Å; A1854-P1858 WeakPolarHBondContact O-CG 3.24Å; P1858-C1860 PolarHBondContact O-N 3.38Å; P1858-S1861 WeakPolarHBondContact O-CA 3.08Å; P1858-S1861 WeakPolarHBondContact O-CB 3.49Å; P1858-S1861 PolarHBondContact O-N 2.86Å; P1858-S1861 PolarHBondContact O-OG 2.68Å; P1858-W2046 HydrophobicContact CB-CB 4.09Å; P1858-W2046 VanDerWaalsContact CB-CD1 3.44Å; P1858-W2046 HydrophobicContact CB-CD2 4.06Å; P1858-W2046 HydrophobicContact CB-CG 3.63Å; P1858-W2046 VanDerWaalsContact CG-CD1 3.41Å; P1858-W2046 HydrophobicContact CG-CG 4.12Å
1859E36.3Very low32.9Very low54 Ų5491.4 Ų91.425%0.25249%0.49SS..G310 helixtrans-53.9-26.3165.159.2-87.9-16300114F1618 P1619 S1857 S1861 W2046F1618-E1859 HydrophobicContact CZ-CG 4.36Å; P1619-E1859 HydrophobicContact CB-CB 4.08Å; P1619-E1859 HydrophobicContact CB-CG 3.54Å; S1857-E1859 VanDerWaalsContact CA-CD 3.45Å; S1857-E1859 WeakPolarHBondContact CA-OE1 3.48Å; S1857-E1859 VanDerWaalsContact CA-OE2 3.32Å; S1857-E1859 WeakPolarHBondContact CA-OE2 3.26Å; S1857-E1859 VanDerWaalsContact CB-CD 3.46Å; S1857-E1859 WeakPolarHBondContact CB-OE1 3.32Å; S1857-E1859 PolarHBondContact O-N 3.42Å; S1857-E1859 VanDerWaalsContact O-N 3.09Å; S1857-E1859 PolarHBondContact OG-OE1 3.46Å; E1859-S1861 VanDerWaalsContact C-N 3.35Å; E1859-W2046 HydrophobicContact CB-CH2 3.88Å; E1859-W2046 HydrophobicContact CB-CZ2 4.22Å; E1859-W2046 WeakPolarHBondContact OE2-CZ2 3.12Å
1860C33.9Very low32.5Very low35 Ų3594.9 Ų94.924%0.23652%0.515CS..G310 helixtrans-82.5-10.5172.6-60.20000113.4P1619 L1853 S1857 P1858 I1862P1619-C1860 VanDerWaalsContact C-SG 3.6Å; P1619-C1860 VanDerWaalsContact CB-SG 3.5Å; P1619-C1860 HydrophobicContact CG-CB 4.45Å; L1853-C1860 HydrophobicContact CD2-CB 3.49Å; L1853-C1860 VanDerWaalsContact CD2-CB 3.49Å; L1853-C1860 WeakPolarHBondContact CD2-SG 3.44Å; S1857-C1860 WeakPolarHBondContact O-CB 3.41Å; S1857-C1860 PolarHBondContact O-N 3.18Å; P1858-C1860 PolarHBondContact O-N 3.38Å; C1860-I1862 PolarHBondContact O-N 3.13Å
1861S29.2Very low31.9Very low56 Ų5696.4 Ų96.439%0.39252%0.519SS..  trans-77.570171-52.40000109.5A1854 P1858 E1859 N1863A1854-S1861 WeakPolarHBondContact CA-OG 3.27Å; A1854-S1861 VanDerWaalsContact CB-OG 3.24Å; A1854-S1861 WeakPolarHBondContact CB-OG 3.29Å; P1858-S1861 WeakPolarHBondContact O-CA 3.08Å; P1858-S1861 WeakPolarHBondContact O-CB 3.49Å; P1858-S1861 PolarHBondContact O-N 2.86Å; P1858-S1861 PolarHBondContact O-OG 2.68Å; E1859-S1861 VanDerWaalsContact C-N 3.35Å; S1861-N1863 PolarHBondContact O-N 2.87Å
1862I29.4Very low31.2Very low128 Ų12896.7 Ų96.766%0.65652%0.522SS*.  trans-49134.3162.5-60.1174.6000106.8C1860 W1864C1860-I1862 PolarHBondContact O-N 3.13Å; I1862-W1864 VanDerWaalsContact O-CD1 3.3Å; I1862-W1864 PolarHBondContact O-N 3.34Å
1863N26.7Very low30.8Very low153 Ų153102 Ų10282%0.81854%0.544SS*.  trans-65.774.4-174.9-86-44.2000112.5S1861 C1865S1861-N1863 PolarHBondContact O-N 2.87Å; N1863-C1865 PolarHBondContact O-N 3.48Å
1864W23.6Very low30.5Very low219 Ų219106.5 Ų106.583%0.8357%0.568SS**  trans-68.396172.4-80.937.4000108.8I1862I1862-W1864 VanDerWaalsContact O-CD1 3.3Å; I1862-W1864 PolarHBondContact O-N 3.34Å
1865C25.2Very low29.9Very low103 Ų103108.7 Ų108.770%0.69657%0.574SS**  trans50.999.3168.8-62.90000115.5N1863 S1867N1863-C1865 PolarHBondContact O-N 3.48Å; C1865-S1867 PolarHBondContact O-N 2.62Å
1866T24.4Very low29.8Very low146 Ų146112.4 Ų112.490%0.89659%0.586SS**SBendtrans-69.915.7153.544.80000113.3
1867S24.5Very low29.8Very low78 Ų78115.3 Ų115.355%0.54560%0.598SS.*SBendtrans-74.6151.5160.3-167.70000110.2C1865 L1869C1865-S1867 PolarHBondContact O-N 2.62Å; S1867-L1869 PolarHBondContact O-N 3.19Å
1868K25.2Very low29.7Very low86 Ų86117.5 Ų117.537%0.37461%0.607SS.*  trans-74.2128.9-165.1-61-171.3-177.4-162.70111.8P1818 C1820 C1870 E1871P1818-K1868 PolarHBondContact O-NZ 2.97Å; C1820-K1868 WeakPolarHBondContact SG-CE 3.49Å; K1868-C1870 PolarHBondContact O-N 3.35Å; K1868-E1871 PolarHBondContact O-N 3.34Å; K1868-E1871 VanDerWaalsContact O-N 3.07Å
1869L28.1Very low29.7Very low156 Ų156119 Ų11982%0.81762%0.618SS**G310 helixtrans-56.4-16.4178.5-150.784.2000114.3S1867S1867-L1869 PolarHBondContact O-N 3.19Å
1870C28.8Very low29.8Very low124 Ų124122.4 Ų122.484%0.83864%0.638SS**G310 helixtrans-84.4-1.3178.5-59.30000115.1K1868K1868-C1870 PolarHBondContact O-N 3.35Å
1871E27.4Very low29.9Very low125 Ų125129.4 Ų129.458%0.58467%0.665SS**G310 helixtrans-95.51.3174.3-69.6-175.917700113.5K1868 E1873 N1874K1868-E1871 PolarHBondContact O-N 3.34Å; K1868-E1871 VanDerWaalsContact O-N 3.07Å; E1871-E1873 PolarHBondContact O-N 3.47Å; E1871-E1873 VanDerWaalsContact O-N 3.11Å; E1871-N1874 PolarHBondContact O-N 2.98Å; E1871-N1874 VanDerWaalsContact O-N 3.15Å
1872Y27.3Very low30.2Very low176 Ų176130.4 Ų130.469%0.6966%0.663SS**G310 helixtrans-61.3-23-175-141.7-90000114.4L1875Y1872-L1875 HydrophobicContact CD1-CD1 4.31Å; Y1872-L1875 HydrophobicContact CE1-CD1 4.33Å; Y1872-L1875 HydrophobicContact CG-CD1 4.43Å
1873E33.1Very low30.3Very low189 Ų189128 Ų12888%0.88365%0.648SS**G310 helixtrans-85.6-15.2179.6-64.1-169.3143.100114.4E1871E1871-E1873 PolarHBondContact O-N 3.47Å; E1871-E1873 VanDerWaalsContact O-N 3.11Å
1874N31.5Very low30.8Very low113 Ų113122.7 Ų122.760%0.60463%0.625SS**G310 helixtrans-99.619.7-177.9-79.5-52000114.1E1871 K1876E1871-N1874 PolarHBondContact O-N 2.98Å; E1871-N1874 VanDerWaalsContact O-N 3.15Å; N1874-K1876 PolarHBondContact O-N 3.32Å
1875L29.7Very low31.2Very low84 Ų84115.1 Ų115.144%0.4461%0.609SS.*G310 helixtrans-676.9-169.9-119.2162.2000116.8Y1872 N1877 I1878Y1872-L1875 HydrophobicContact CD1-CD1 4.31Å; Y1872-L1875 HydrophobicContact CE1-CD1 4.33Å; Y1872-L1875 HydrophobicContact CG-CD1 4.43Å; L1875-N1877 PolarHBondContact O-N 3.47Å; L1875-I1878 HydrophobicContact CD2-CD1 3.43Å; L1875-I1878 VanDerWaalsContact CD2-CD1 3.43Å; L1875-I1878 HydrophobicContact CD2-CG1 4Å
1876K36.9Very low31.4Very low183 Ų183114.7 Ų114.780%0.79661%0.607SS**G310 helixtrans-69-34.5-173.4-76.4-173.5174.3178.70114.2N1874 K1883N1874-K1876 PolarHBondContact O-N 3.32Å; K1876-K1883 PolarHBondContact O-NZ 3.19Å
1877N34.6Very low31.9Very low160 Ų160112.7 Ų112.786%0.85659%0.59SS**G310 helixtrans-101.920.4-168.1-69.80.2000115.7L1875L1875-N1877 PolarHBondContact O-N 3.47Å
1878I33.3Very low32.4Very low72 Ų72113.9 Ų113.937%0.36959%0.59SS.*  trans-66138.9165.5-67.5-167.2000109.9L1875 E1882 K1883L1875-I1878 HydrophobicContact CD2-CD1 3.43Å; L1875-I1878 VanDerWaalsContact CD2-CD1 3.43Å; L1875-I1878 HydrophobicContact CD2-CG1 4Å; I1878-E1882 HydrophobicContact CG2-CB 3.51Å; I1878-K1883 HydrophobicContact CG2-CG 4.32Å; I1878-K1883 VanDerWaalsContact O-CE 3.27Å; I1878-K1883 WeakPolarHBondContact O-CE 3.22Å; I1878-K1883 PolarHBondContact O-NZ 2.92Å
1879S33.9Very low32.7Very low58 Ų58116 Ų11641%0.40660%0.603SS.*  trans-69.5152-173.477.80000112.6K1881 E1882 K1883S1879-K1881 PolarHBondContact O-N 3.2Å; S1879-K1881 VanDerWaalsContact O-N 3.09Å; S1879-E1882 PolarHBondContact N-OE2 3.32Å; S1879-E1882 PolarHBondContact O-N 3.35Å; S1879-E1882 PolarHBondContact OG-OE2 3.16Å; S1879-K1883 PolarHBondContact O-N 3.25Å
1880D39.6Very low33Very low127 Ų127114.8 Ų114.868%0.67959%0.593SS**Hα-helixtrans-65.2-18.5-174.1-59.6-45000113.6A1884D1880-A1884 WeakPolarHBondContact O-CB 3.49Å; D1880-A1884 PolarHBondContact O-N 3.46Å
1881K36.4Very low33.4Very low182 Ų182114.7 Ų114.779%0.79158%0.578SS**Hα-helixtrans-70.7-38.1170.9-80.9-170.7172.9-175.20112.9S1879 A1885S1879-K1881 PolarHBondContact O-N 3.2Å; S1879-K1881 VanDerWaalsContact O-N 3.09Å; K1881-A1885 PolarHBondContact O-N 3.08Å
1882E34.6Very low33.8Very low77 Ų77113.6 Ų113.636%0.3657%0.574SS.*Hα-helixtrans-79.2-38.7179.1-69.9158.6130.100110.5I1878 S1879 A1884 A1885 C1886I1878-E1882 HydrophobicContact CG2-CB 3.51Å; S1879-E1882 PolarHBondContact N-OE2 3.32Å; S1879-E1882 PolarHBondContact O-N 3.35Å; S1879-E1882 PolarHBondContact OG-OE2 3.16Å; E1882-A1884 VanDerWaalsContact C-N 3.32Å; E1882-A1884 PolarHBondContact O-N 3.43Å; E1882-A1885 PolarHBondContact O-N 3.06Å; E1882-A1885 VanDerWaalsContact O-N 3.13Å; E1882-C1886 PolarHBondContact O-N 3.41Å
1883K30.7Very low34.3Very low77 Ų77107.9 Ų107.934%0.33556%0.558SS.*Hα-helixtrans-56.9-45.5166.3-74.9170.9176.8145.90111K1876 I1878 S1879 A1885 C1886 L1887K1876-K1883 PolarHBondContact O-NZ 3.19Å; I1878-K1883 HydrophobicContact CG2-CG 4.32Å; I1878-K1883 VanDerWaalsContact O-CE 3.27Å; I1878-K1883 WeakPolarHBondContact O-CE 3.22Å; I1878-K1883 PolarHBondContact O-NZ 2.92Å; S1879-K1883 PolarHBondContact O-N 3.25Å; K1883-A1885 VanDerWaalsContact C-N 3.33Å; K1883-A1885 PolarHBondContact O-N 2.95Å; K1883-C1886 PolarHBondContact O-N 2.86Å; K1883-L1887 WeakPolarHBondContact O-CB 3.07Å; K1883-L1887 WeakPolarHBondContact O-CG 3.48Å; K1883-L1887 PolarHBondContact O-N 3.09Å
1884A37.1Very low34.5Very low42 Ų42102 Ų10235%0.34754%0.537SS..Hα-helixtrans-63.3-34.6174.800000112.8D1880 E1882 N1888D1880-A1884 WeakPolarHBondContact O-CB 3.49Å; D1880-A1884 PolarHBondContact O-N 3.46Å; E1882-A1884 VanDerWaalsContact C-N 3.32Å; E1882-A1884 PolarHBondContact O-N 3.43Å; A1884-N1888 WeakPolarHBondContact O-CA 3.46Å; A1884-N1888 WeakPolarHBondContact O-CB 3.32Å; A1884-N1888 PolarHBondContact O-N 3.36Å; A1884-N1888 PolarHBondContact O-ND2 3.17Å
1885A33.5Very low34.8Very low59 Ų59100.3 Ų100.349%0.48853%0.528SS..Hα-helixtrans-68.3-48176.400000112.4K1881 E1882 K1883 N1888 M1889K1881-A1885 PolarHBondContact O-N 3.08Å; E1882-A1885 PolarHBondContact O-N 3.06Å; E1882-A1885 VanDerWaalsContact O-N 3.13Å; K1883-A1885 VanDerWaalsContact C-N 3.33Å; K1883-A1885 PolarHBondContact O-N 2.95Å; A1885-N1888 PolarHBondContact O-N 3.3Å; A1885-M1889 PolarHBondContact O-N 3.46Å
1886C29.2Very low35.2Very low95 Ų95100.7 Ų100.764%0.64253%0.528SS*.Hα-helixtrans-66.5-47.7177.5-68.20000111.8E1882 K1883 N1888 M1889 E1890E1882-C1886 PolarHBondContact O-N 3.41Å; K1883-C1886 PolarHBondContact O-N 2.86Å; C1886-N1888 VanDerWaalsContact C-N 3.26Å; C1886-N1888 PolarHBondContact O-N 3.15Å; C1886-M1889 PolarHBondContact O-N 3.35Å; C1886-M1889 VanDerWaalsContact O-N 3.12Å; C1886-E1890 PolarHBondContact O-N 3.11Å
1887L34.4Very low35.2Very low103 Ų10397.6 Ų97.654%0.53952%0.519SS..Hα-helixtrans-64.2-29.8175.3-72.6166.5000111.9K1883 M1889 K1891K1883-L1887 WeakPolarHBondContact O-CB 3.07Å; K1883-L1887 WeakPolarHBondContact O-CG 3.48Å; K1883-L1887 PolarHBondContact O-N 3.09Å; L1887-M1889 VanDerWaalsContact C-N 3.35Å; L1887-K1891 WeakPolarHBondContact O-CA 3.36Å; L1887-K1891 WeakPolarHBondContact O-CB 3.46Å; L1887-K1891 PolarHBondContact O-N 2.92Å
1888N36Very low35.4Very low104 Ų10493.3 Ų93.356%0.55650%0.498SS*.Hα-helixtrans-67.9-31.2173.4-82.7-15.9000112.7A1884 A1885 C1886 M1892A1884-N1888 WeakPolarHBondContact O-CA 3.46Å; A1884-N1888 WeakPolarHBondContact O-CB 3.32Å; A1884-N1888 PolarHBondContact O-N 3.36Å; A1884-N1888 PolarHBondContact O-ND2 3.17Å; A1885-N1888 PolarHBondContact O-N 3.3Å; C1886-N1888 VanDerWaalsContact C-N 3.26Å; C1886-N1888 PolarHBondContact O-N 3.15Å; N1888-M1892 WeakPolarHBondContact O-CA 3.34Å; N1888-M1892 WeakPolarHBondContact O-CB 3.45Å; N1888-M1892 PolarHBondContact O-N 2.91Å
1889M31Very low35.7Very low130 Ų13091.9 Ų91.964%0.6450%0.497SS*.Hα-helixtrans-72.3-46174.5-97.4-71.7-68.900111.9A1885 C1886 L1887 M1892 T1893A1885-M1889 PolarHBondContact O-N 3.46Å; C1886-M1889 PolarHBondContact O-N 3.35Å; C1886-M1889 VanDerWaalsContact O-N 3.12Å; L1887-M1889 VanDerWaalsContact C-N 3.35Å; M1889-M1892 PolarHBondContact O-N 3.35Å; M1889-T1893 PolarHBondContact O-N 2.99Å; M1889-T1893 PolarHBondContact O-OG1 3.41Å
1890E35Very low35.9Very low130 Ų13093.9 Ų93.961%0.60750%0.5SS*.Hα-helixtrans-69.8-38.9-180-158.5168.7-133.900111.1C1886 T1893 C1894C1886-E1890 PolarHBondContact O-N 3.11Å; E1890-T1893 PolarHBondContact O-OG1 3.22Å; E1890-T1893 VanDerWaalsContact O-OG1 3.11Å; E1890-C1894 WeakPolarHBondContact O-CB 3.43Å; E1890-C1894 PolarHBondContact O-N 3.03Å; E1890-C1894 PolarHBondContact O-SG 3.03Å
1891K35.3Very low35.6Very low122 Ų12295.4 Ų95.453%0.5350%0.497SS..Hα-helixtrans-68.2-44.3170.3-168.6-171.6179.3-146.30111.9L1887 T1893 C1894 D1895L1887-K1891 WeakPolarHBondContact O-CA 3.36Å; L1887-K1891 WeakPolarHBondContact O-CB 3.46Å; L1887-K1891 PolarHBondContact O-N 2.92Å; K1891-T1893 VanDerWaalsContact C-N 3.3Å; K1891-T1893 PolarHBondContact O-N 2.93Å; K1891-C1894 CarbonylContact O-C 3.56Å; K1891-C1894 PolarHBondContact O-N 3.5Å; K1891-D1895 WeakPolarHBondContact CE-OD2 3.35Å; K1891-D1895 IonicContact NZ-OD2 3.47Å; K1891-D1895 PolarHBondContact NZ-OD2 2.95Å; K1891-D1895 WeakPolarHBondContact O-CB 3.29Å; K1891-D1895 PolarHBondContact O-N 2.81Å
1892M37.2Very low35.7Very low102 Ų10289.7 Ų89.750%0.50247%0.474SS..Hα-helixtrans-65-34.5179.9-179.5169.8169.500111.8N1888 M1889 Q1896N1888-M1892 WeakPolarHBondContact O-CA 3.34Å; N1888-M1892 WeakPolarHBondContact O-CB 3.45Å; N1888-M1892 PolarHBondContact O-N 2.91Å; M1889-M1892 PolarHBondContact O-N 3.35Å; M1892-Q1896 WeakPolarHBondContact O-CB 3.4Å; M1892-Q1896 WeakPolarHBondContact O-CG 3.42Å; M1892-Q1896 PolarHBondContact O-N 3.37Å
1893T37.5Very low36Very low56 Ų5689.3 Ų89.334%0.34447%0.473SS..Hα-helixtrans-72.8-38.3172.4460000112.4M1889 E1890 K1891 Q1896 I1897M1889-T1893 PolarHBondContact O-N 2.99Å; M1889-T1893 PolarHBondContact O-OG1 3.41Å; E1890-T1893 PolarHBondContact O-OG1 3.22Å; E1890-T1893 VanDerWaalsContact O-OG1 3.11Å; K1891-T1893 VanDerWaalsContact C-N 3.3Å; K1891-T1893 PolarHBondContact O-N 2.93Å; T1893-Q1896 PolarHBondContact O-N 3.09Å; T1893-I1897 WeakPolarHBondContact O-CB 3.32Å; T1893-I1897 WeakPolarHBondContact O-CD1 3.3Å; T1893-I1897 WeakPolarHBondContact O-CG1 3.33Å; T1893-I1897 PolarHBondContact O-N 3.42Å
1894C36.9Very low36.3Very low66 Ų6688.5 Ų88.545%0.44647%0.472SS..Hα-helixtrans-65.9-41.1171.2-69.50000112.9E1890 K1891 I1897 T1898E1890-C1894 WeakPolarHBondContact O-CB 3.43Å; E1890-C1894 PolarHBondContact O-N 3.03Å; E1890-C1894 PolarHBondContact O-SG 3.03Å; K1891-C1894 CarbonylContact O-C 3.56Å; K1891-C1894 PolarHBondContact O-N 3.5Å; C1894-I1897 PolarHBondContact O-N 2.9Å; C1894-T1898 VanDerWaalsContact O-CB 3.23Å; C1894-T1898 WeakPolarHBondContact O-CB 3.35Å; C1894-T1898 PolarHBondContact O-N 3.07Å; C1894-T1898 PolarHBondContact O-OG1 3.32Å
1895D38.8Very low36.1Very low78 Ų7892.2 Ų92.242%0.41748%0.483SS..Hα-helixtrans-67.3-38.3176.3-72.5-2.5000109.6K1891 A1899K1891-D1895 WeakPolarHBondContact CE-OD2 3.35Å; K1891-D1895 IonicContact NZ-OD2 3.47Å; K1891-D1895 PolarHBondContact NZ-OD2 2.95Å; K1891-D1895 WeakPolarHBondContact O-CB 3.29Å; K1891-D1895 PolarHBondContact O-N 2.81Å; D1895-A1899 WeakPolarHBondContact O-CA 3.48Å; D1895-A1899 WeakPolarHBondContact O-CB 3.38Å; D1895-A1899 PolarHBondContact O-N 3.19Å
1896Q37.1Very low36.1Very low92 Ų9294.9 Ų94.943%0.4349%0.489SS..Hα-helixtrans-65.7-46171.8-83.1174.4-35.500112.3M1892 T1893 T1898 A1899 Q1900M1892-Q1896 WeakPolarHBondContact O-CB 3.4Å; M1892-Q1896 WeakPolarHBondContact O-CG 3.42Å; M1892-Q1896 PolarHBondContact O-N 3.37Å; T1893-Q1896 PolarHBondContact O-N 3.09Å; Q1896-T1898 VanDerWaalsContact C-N 3.35Å; Q1896-A1899 PolarHBondContact O-N 2.62Å; Q1896-Q1900 WeakPolarHBondContact O-CB 3.17Å; Q1896-Q1900 PolarHBondContact O-N 2.93Å
1897I36.6Very low36.7Very low118 Ų11893.8 Ų93.861%0.60548%0.479SS*.Hα-helixtrans-63.7-43177.2-71.2164.8000110.2T1893 C1894 Q1900 Y1901T1893-I1897 WeakPolarHBondContact O-CB 3.32Å; T1893-I1897 WeakPolarHBondContact O-CD1 3.3Å; T1893-I1897 WeakPolarHBondContact O-CG1 3.33Å; T1893-I1897 PolarHBondContact O-N 3.42Å; C1894-I1897 PolarHBondContact O-N 2.9Å; I1897-Q1900 PolarHBondContact O-N 3.27Å; I1897-Y1901 WeakPolarHBondContact O-CB 2.99Å; I1897-Y1901 PolarHBondContact O-N 3.35Å
1898T39.9Very low36.7Very low69 Ų6994 Ų9442%0.42348%0.484SS..Hα-helixtrans-68.3-42.6178.5-54.40000111.1C1894 Q1896 Y1901 Q1902C1894-T1898 VanDerWaalsContact O-CB 3.23Å; C1894-T1898 WeakPolarHBondContact O-CB 3.35Å; C1894-T1898 PolarHBondContact O-N 3.07Å; C1894-T1898 PolarHBondContact O-OG1 3.32Å; Q1896-T1898 VanDerWaalsContact C-N 3.35Å; T1898-Y1901 PolarHBondContact O-N 2.59Å; T1898-Q1902 WeakPolarHBondContact O-CB 3.43Å; T1898-Q1902 WeakPolarHBondContact O-CG 3.41Å; T1898-Q1902 PolarHBondContact O-N 3.2Å
1899A40Very low36.4Very low42 Ų4296.7 Ų96.735%0.34749%0.493SS..Hα-helixtrans-62.7-41.8174.300000111.7D1895 Q1896 Q1902 I1903D1895-A1899 WeakPolarHBondContact O-CA 3.48Å; D1895-A1899 WeakPolarHBondContact O-CB 3.38Å; D1895-A1899 PolarHBondContact O-N 3.19Å; Q1896-A1899 PolarHBondContact O-N 2.62Å; A1899-Q1902 CarbonylContact O-C 3.41Å; A1899-Q1902 PolarHBondContact O-N 3.48Å; A1899-I1903 WeakPolarHBondContact O-CB 3.45Å; A1899-I1903 WeakPolarHBondContact O-CD1 3.26Å; A1899-I1903 WeakPolarHBondContact O-CG1 3.41Å; A1899-I1903 PolarHBondContact O-N 3.36Å
1900Q36.5Very low36.2Very low100 Ų100100.6 Ų100.647%0.46750%0.501SS..Hα-helixtrans-65.1-39.9175.5-171.959.558.200111.7Q1896 I1897 I1903 D1904Q1896-Q1900 WeakPolarHBondContact O-CB 3.17Å; Q1896-Q1900 PolarHBondContact O-N 2.93Å; I1897-Q1900 PolarHBondContact O-N 3.27Å; Q1900-I1903 WeakPolarHBondContact O-CB 3.35Å; Q1900-I1903 PolarHBondContact O-N 3.43Å; Q1900-D1904 PolarHBondContact NE2-OD1 2.92Å; Q1900-D1904 PolarHBondContact O-N 2.86Å
1901Y33.4Very low35.9Very low160 Ų160103.8 Ų103.863%0.62751%0.513SS*.Hα-helixtrans-66-39.5175.5-139.3-95.6000112.2I1897 T1898 D1904 E1905I1897-Y1901 WeakPolarHBondContact O-CB 2.99Å; I1897-Y1901 PolarHBondContact O-N 3.35Å; T1898-Y1901 PolarHBondContact O-N 2.59Å; Y1901-D1904 PolarHBondContact O-N 2.92Å; Y1901-E1905 PolarHBondContact O-N 2.92Å
1902Q38.3Very low35.5Very low62 Ų62105.2 Ų105.229%0.2953%0.525SS..Hα-helixtrans-71.8-28.6174.3-74176.9-40.600112.7D1745 T1898 A1899 N1906D1745-Q1902 PolarHBondContact O-NE2 2.97Å; T1898-Q1902 WeakPolarHBondContact O-CB 3.43Å; T1898-Q1902 WeakPolarHBondContact O-CG 3.41Å; T1898-Q1902 PolarHBondContact O-N 3.2Å; A1899-Q1902 CarbonylContact O-C 3.41Å; A1899-Q1902 PolarHBondContact O-N 3.48Å; Q1902-N1906 VanDerWaalsContact O-CB 3.28Å; Q1902-N1906 WeakPolarHBondContact O-CB 3.3Å; Q1902-N1906 PolarHBondContact O-N 3.42Å; Q1902-N1906 PolarHBondContact O-ND2 3.47Å
1903I41.5Very low35.1Very low68 Ų68105.5 Ų105.535%0.34954%0.535SS..Hα-helixtrans-63.1-50.2169.1-77.7161.5000109A1899 Q1900 E1905 N1906 V1907A1899-I1903 WeakPolarHBondContact O-CB 3.45Å; A1899-I1903 WeakPolarHBondContact O-CD1 3.26Å; A1899-I1903 WeakPolarHBondContact O-CG1 3.41Å; A1899-I1903 PolarHBondContact O-N 3.36Å; Q1900-I1903 WeakPolarHBondContact O-CB 3.35Å; Q1900-I1903 PolarHBondContact O-N 3.43Å; I1903-E1905 PolarHBondContact O-N 3.06Å; I1903-N1906 PolarHBondContact O-N 2.99Å; I1903-V1907 HydrophobicContact CG2-CG2 4.31Å; I1903-V1907 VanDerWaalsContact O-CB 3.28Å; I1903-V1907 WeakPolarHBondContact O-CB 3.47Å; I1903-V1907 WeakPolarHBondContact O-CG2 3.32Å; I1903-V1907 PolarHBondContact O-N 3.34Å
1904D37.7Very low34.8Very low60 Ų60110.3 Ų110.332%0.32156%0.559SS.*Hα-helixtrans-63.2-40.4-179.3-70.211.9000112Q1900 Y1901 T1908Q1900-D1904 PolarHBondContact NE2-OD1 2.92Å; Q1900-D1904 PolarHBondContact O-N 2.86Å; Y1901-D1904 PolarHBondContact O-N 2.92Å; D1904-T1908 WeakPolarHBondContact O-CG2 3.26Å; D1904-T1908 PolarHBondContact O-N 2.88Å; D1904-T1908 VanDerWaalsContact O-N 3.1Å; D1904-T1908 PolarHBondContact O-OG1 3.24Å
1905E32.8Very low34.3Very low121 Ų121113.7 Ų113.757%0.56557%0.571SS**Hα-helixtrans-70.3-39176.8-167166.7-144.900112.9Y1901 I1903 T1908 H1909Y1901-E1905 PolarHBondContact O-N 2.92Å; I1903-E1905 PolarHBondContact O-N 3.06Å; E1905-T1908 PolarHBondContact O-OG1 3.1Å; E1905-H1909 PolarHBondContact O-N 3.23Å
1906N33.7Very low34.1Very low114 Ų114113.5 Ų113.561%0.6157%0.57SS**Hα-helixtrans-74-30.8175.8-80.1-75.2000113.3Q1902 I1903Q1902-N1906 VanDerWaalsContact O-CB 3.28Å; Q1902-N1906 WeakPolarHBondContact O-CB 3.3Å; Q1902-N1906 PolarHBondContact O-N 3.42Å; Q1902-N1906 PolarHBondContact O-ND2 3.47Å; I1903-N1906 PolarHBondContact O-N 2.99Å
1907V40.5Very low33.9Very low73 Ų73114.3 Ų114.344%0.44258%0.581SS.*Hα-helixtrans-67.9-43.6174.6165.90000110.8L1737 I1903 H1909 R1910L1737-V1907 HydrophobicContact CD1-CG2 4.2Å; I1903-V1907 HydrophobicContact CG2-CG2 4.31Å; I1903-V1907 VanDerWaalsContact O-CB 3.28Å; I1903-V1907 WeakPolarHBondContact O-CB 3.47Å; I1903-V1907 WeakPolarHBondContact O-CG2 3.32Å; I1903-V1907 PolarHBondContact O-N 3.34Å; V1907-H1909 VanDerWaalsContact C-N 3.25Å; V1907-H1909 PolarHBondContact O-N 3.46Å; V1907-R1910 PolarHBondContact O-N 2.9Å; V1907-R1910 VanDerWaalsContact O-N 3.11Å
1908T34.2Very low33.6Very low106 Ų106114.3 Ų114.365%0.6558%0.581SS**Hα-helixtrans-63.9-27.8179.9450000113.5D1904 E1905D1904-T1908 WeakPolarHBondContact O-CG2 3.26Å; D1904-T1908 PolarHBondContact O-N 2.88Å; D1904-T1908 VanDerWaalsContact O-N 3.1Å; D1904-T1908 PolarHBondContact O-OG1 3.24Å; E1905-T1908 PolarHBondContact O-OG1 3.1Å
1909H30.6Very low33.4Very low161 Ų161113.4 Ų113.475%0.74558%0.578SS**THydrogen-bonded Turntrans-83.6-1.5175-85.6-71.7000115.7E1905 V1907E1905-H1909 PolarHBondContact O-N 3.23Å; V1907-H1909 VanDerWaalsContact C-N 3.25Å; V1907-H1909 PolarHBondContact O-N 3.46Å
1910R27.1Very low33Very low213 Ų213116.4 Ų116.480%0.80459%0.587SS**SBendtrans-129.491.1177.2-75.7-173.5173.1177.51113.9V1907V1907-R1910 PolarHBondContact O-N 2.9Å; V1907-R1910 VanDerWaalsContact O-N 3.11Å
1911K29Very low32.7Very low196 Ų196119 Ų11985%0.85259%0.594SS**  trans87.2102.3166.8-51.5171.4-178.2177.10116.7
1912L26.3Very low32.6Very low152 Ų152115.7 Ų115.780%0.79659%0.587SS**  -159.4131.2101.7-132.675.1000110.7
1913P28.5Very low32.3Very low109 Ų109116.2 Ų116.271%0.70860%0.598SS**  trans-83118173.131.3-31.5000111.8I1915P1913-I1915 PolarHBondContact O-N 2.92Å
1914D31.3Very low31.8Very low156 Ų156119.7 Ų119.783%0.83461%0.612SS**  trans24.381.2152.1-58.3-29.6000118.5D1916D1914-D1916 VanDerWaalsContact C-N 3.31Å; D1914-D1916 PolarHBondContact O-N 3.28Å
1915I27.5Very low31.5Very low138 Ų138122.6 Ų122.671%0.70863%0.627SS**  trans-91.572.9152.2-54-177.6000108.3P1913 V1917P1913-I1915 PolarHBondContact O-N 2.92Å; I1915-V1917 PolarHBondContact O-N 2.93Å
1916D32.7Very low31.3Very low74 Ų74121.2 Ų121.240%0.39663%0.631SS.*  trans-66.8122169.816834.5000110D1914 L1918 S1919 L1920D1914-D1916 VanDerWaalsContact C-N 3.31Å; D1914-D1916 PolarHBondContact O-N 3.28Å; D1916-L1918 VanDerWaalsContact C-N 3.27Å; D1916-L1918 PolarHBondContact O-N 3.41Å; D1916-L1918 WeakPolarHBondContact OD1-CB 3.34Å; D1916-L1918 PolarHBondContact OD1-N 3.43Å; D1916-L1918 WeakPolarHBondContact OD2-CB 3.2Å; D1916-S1919 WeakPolarHBondContact O-CB 3.32Å; D1916-S1919 PolarHBondContact O-N 3.2Å; D1916-S1919 VanDerWaalsContact O-N 3.11Å; D1916-S1919 PolarHBondContact O-OG 2.95Å; D1916-S1919 PolarHBondContact OD2-N 2.81Å; D1916-L1920 PolarHBondContact O-N 3.38Å
1917V32.8Very low31Very low109 Ų109124 Ų12466%0.66164%0.64SS**Hα-helixtrans-71.9-21.6180-178.90000111.8I1915I1915-V1917 PolarHBondContact O-N 2.93Å
1918L30.9Very low30.8Very low117 Ų117126.7 Ų126.761%0.61366%0.659SS**Hα-helixtrans-74.1-29.1168.7-89.871.2000112D1916 L1920 Y1921 N1922D1916-L1918 VanDerWaalsContact C-N 3.27Å; D1916-L1918 PolarHBondContact O-N 3.41Å; D1916-L1918 WeakPolarHBondContact OD1-CB 3.34Å; D1916-L1918 PolarHBondContact OD1-N 3.43Å; D1916-L1918 WeakPolarHBondContact OD2-CB 3.2Å; L1918-L1920 VanDerWaalsContact C-N 3.25Å; L1918-L1920 PolarHBondContact O-N 2.87Å; L1918-Y1921 WeakPolarHBondContact O-CA 3.24Å; L1918-Y1921 VanDerWaalsContact O-CB 3.25Å; L1918-Y1921 WeakPolarHBondContact O-CB 3.29Å; L1918-Y1921 PolarHBondContact O-N 3.02Å; L1918-N1922 PolarHBondContact O-N 3.2Å
1919S35.7Very low30.5Very low50 Ų50130 Ų13035%0.3566%0.664SS.*Hα-helixtrans-62.6-33.6172.784.40000111.7D1916 Y1921 N1922 S1923D1916-S1919 WeakPolarHBondContact O-CB 3.32Å; D1916-S1919 PolarHBondContact O-N 3.2Å; D1916-S1919 VanDerWaalsContact O-N 3.11Å; D1916-S1919 PolarHBondContact O-OG 2.95Å; D1916-S1919 PolarHBondContact OD2-N 2.81Å; S1919-Y1921 VanDerWaalsContact C-N 3.26Å; S1919-Y1921 PolarHBondContact O-N 3.02Å; S1919-N1922 PolarHBondContact O-N 3.01Å; S1919-S1923 WeakPolarHBondContact O-CB 3.44Å; S1919-S1923 PolarHBondContact O-N 2.95Å; S1919-S1923 PolarHBondContact O-OG 3.46Å
1920L32.5Very low30.6Very low105 Ų105129.5 Ų129.555%0.5567%0.673SS.*Hα-helixtrans-67.1-25.2170.6-96.2166.6000113.2D1916 L1918D1916-L1920 PolarHBondContact O-N 3.38Å; L1918-L1920 VanDerWaalsContact C-N 3.25Å; L1918-L1920 PolarHBondContact O-N 2.87Å
1921Y29.5Very low30.7Very low155 Ų155122.5 Ų122.561%0.60867%0.667SS**Hα-helixtrans-77.7-40.4173.8-163.5-93.9000111.8L1918 S1919L1918-Y1921 WeakPolarHBondContact O-CA 3.24Å; L1918-Y1921 VanDerWaalsContact O-CB 3.25Å; L1918-Y1921 WeakPolarHBondContact O-CB 3.29Å; L1918-Y1921 PolarHBondContact O-N 3.02Å; S1919-Y1921 VanDerWaalsContact C-N 3.26Å; S1919-Y1921 PolarHBondContact O-N 3.02Å
1922N32.5Very low30.8Very low91 Ų91119.5 Ų119.549%0.48767%0.67SS.*Hα-helixtrans-96.5-33.9-171.4-72.5-28.6000115.5L1918 S1919 H1924 I1925L1918-N1922 PolarHBondContact O-N 3.2Å; S1919-N1922 PolarHBondContact O-N 3.01Å; N1922-H1924 VanDerWaalsContact C-N 3.3Å; N1922-H1924 PolarHBondContact O-N 3.47Å; N1922-I1925 WeakPolarHBondContact O-CB 3.43Å; N1922-I1925 VanDerWaalsContact O-CG1 3.23Å; N1922-I1925 WeakPolarHBondContact O-CG1 3.47Å; N1922-I1925 PolarHBondContact O-N 3.26Å
1923S32Very low30.9Very low73 Ų73123.5 Ų123.551%0.5168%0.675SS.*G310 helixtrans-69.8-23.1-174.862.20000114S1919 I1925S1919-S1923 WeakPolarHBondContact O-CB 3.44Å; S1919-S1923 PolarHBondContact O-N 2.95Å; S1919-S1923 PolarHBondContact O-OG 3.46Å; S1923-I1925 PolarHBondContact O-N 3Å; S1923-I1925 VanDerWaalsContact O-N 3.17Å
1924H29.6Very low31.1Very low140 Ų140123.6 Ų123.665%0.64867%0.669SS**G310 helixtrans-78.917.5172.5-79-53.4000114.3N1922 S1926N1922-H1924 VanDerWaalsContact C-N 3.3Å; N1922-H1924 PolarHBondContact O-N 3.47Å; H1924-S1926 VanDerWaalsContact C-N 3.29Å
1925I32.1Very low31.4Very low121 Ų121120.6 Ų120.662%0.62166%0.661SS**G310 helixtrans-89.313.8174-56.1172.7000111.8N1922 S1923N1922-I1925 WeakPolarHBondContact O-CB 3.43Å; N1922-I1925 VanDerWaalsContact O-CG1 3.23Å; N1922-I1925 WeakPolarHBondContact O-CG1 3.47Å; N1922-I1925 PolarHBondContact O-N 3.26Å; S1923-I1925 PolarHBondContact O-N 3Å; S1923-I1925 VanDerWaalsContact O-N 3.17Å
1926S29Very low31.8Very low93 Ų93120.1 Ų120.165%0.6566%0.659SS**SBendtrans-151.780.7171.457.90000116H1924H1924-S1926 VanDerWaalsContact C-N 3.29Å
1927Q27.7Very low31.9Very low171 Ų171122.2 Ų122.280%0.79966%0.664SS**  174.9128.7125.6-96.617852.500111.8
1928P35Very low32.2Very low130 Ų130125.6 Ų125.684%0.84467%0.667SS**  trans-92.5109.4-176.133.8-32.3000113.1
1929K29.2Very low32.7Very low176 Ų176123.6 Ų123.677%0.76566%0.659SS**  trans-134.394.2166-71.7-171.7179.7174.80112.7
1930T31.1Very low32.8Very low151 Ų151125 Ų12593%0.92666%0.662SS**  trans27.398.5141.453.50000117.9
1931G30Very low33.3Very low66 Ų66122.3 Ų122.368%0.6865%0.652SS**  trans171.3107.6168.600000112.9R1933G1931-R1933 PolarHBondContact O-N 3.4Å
1932S30.7Very low34.2Very low132 Ų132117.6 Ų117.692%0.92364%0.641SS**SBendtrans-59.5101.3-172.4-172.30000114
1933R28.1Very low34.7Very low237 Ų237116.8 Ų116.889%0.89464%0.637SS**  trans-15120.8169.6-127.4174-175.3-179.50.3115.7G1931 S1935G1931-R1933 PolarHBondContact O-N 3.4Å; R1933-S1935 PolarHBondContact O-N 3.12Å
1934N32.8Very low35.3Very low110 Ų110118.1 Ų118.159%0.58864%0.637SS**  trans-88.120.6-166.9-74.5-15.7000116.9L1936 K1937 Y1938N1934-L1936 PolarHBondContact O-N 3.34Å; N1934-K1937 PolarHBondContact O-N 2.99Å; N1934-Y1938 PolarHBondContact O-N 3.29Å
1935S38.8Very low36.4Very low93 Ų93117.6 Ų117.665%0.6564%0.639SS**Hα-helixtrans-51.6-62.7-171.4179.70000113.8R1933 K1937 Y1938 T1939R1933-S1935 PolarHBondContact O-N 3.12Å; S1935-K1937 VanDerWaalsContact C-N 3.32Å; S1935-K1937 PolarHBondContact O-N 2.9Å; S1935-Y1938 PolarHBondContact O-N 2.69Å; S1935-Y1938 VanDerWaalsContact O-N 3.13Å; S1935-T1939 PolarHBondContact O-N 3.49Å; S1935-T1939 VanDerWaalsContact O-N 3.13Å; S1935-T1939 PolarHBondContact O-OG1 2.71Å
1936L34.6Very low37.2Very low129 Ų129116 Ų11668%0.67563%0.631SS**Hα-helixtrans-62.5-36.7-173.4-165.672.4000113.1N1934 Y1938 T1939 I1940N1934-L1936 PolarHBondContact O-N 3.34Å; L1936-Y1938 VanDerWaalsContact C-N 3.33Å; L1936-Y1938 PolarHBondContact O-N 3.14Å; L1936-T1939 PolarHBondContact O-N 2.76Å; L1936-I1940 HydrophobicContact CG-CD1 4.15Å; L1936-I1940 PolarHBondContact O-N 3.39Å; L1936-I1940 VanDerWaalsContact O-N 3.1Å
1937K36.1Very low37.9Very low117 Ų117122.4 Ų122.451%0.50964%0.642SS.*Hα-helixtrans-65-37.9178.6-170.4166.4-174.9165.90111.4N1934 S1935 C1941N1934-K1937 PolarHBondContact O-N 2.99Å; S1935-K1937 VanDerWaalsContact C-N 3.32Å; S1935-K1937 PolarHBondContact O-N 2.9Å; K1937-C1941 WeakPolarHBondContact O-CB 3.39Å; K1937-C1941 PolarHBondContact O-N 3.43Å; K1937-C1941 VanDerWaalsContact O-N 3.12Å; K1937-C1941 PolarHBondContact O-SG 2.87Å
1938Y39.3Very low38.8Very low181 Ų181121.2 Ų121.271%0.7163%0.633SS**Hα-helixtrans-69.4-41.1174.8-114.1-80.8000112.3N1934 S1935 L1936 S1942N1934-Y1938 PolarHBondContact O-N 3.29Å; S1935-Y1938 PolarHBondContact O-N 2.69Å; S1935-Y1938 VanDerWaalsContact O-N 3.13Å; L1936-Y1938 VanDerWaalsContact C-N 3.33Å; L1936-Y1938 PolarHBondContact O-N 3.14Å; Y1938-S1942 WeakPolarHBondContact O-CB 3.47Å; Y1938-S1942 PolarHBondContact O-N 2.77Å
1939T41.3Very low39Very low74 Ų74117.9 Ų117.945%0.45461%0.608SS.*Hα-helixtrans-60.3-49177.7-520000111.9S1935 L1936 S1942 L1943S1935-T1939 PolarHBondContact O-N 3.49Å; S1935-T1939 VanDerWaalsContact O-N 3.13Å; S1935-T1939 PolarHBondContact O-OG1 2.71Å; L1936-T1939 PolarHBondContact O-N 2.76Å; T1939-S1942 PolarHBondContact O-N 2.65Å; T1939-L1943 HydrophobicContact CG2-CD1 4.17Å; T1939-L1943 WeakPolarHBondContact O-CG 3.34Å; T1939-L1943 PolarHBondContact O-N 3.21Å; T1939-L1943 VanDerWaalsContact O-N 3.08Å
1940I37.9Very low40Very low81 Ų81111.9 Ų111.942%0.41559%0.588SS.*Hα-helixtrans-68.2-44.6-178.4-63.6172.8000111L1936 S1942 L1943 I1944L1936-I1940 HydrophobicContact CG-CD1 4.15Å; L1936-I1940 PolarHBondContact O-N 3.39Å; L1936-I1940 VanDerWaalsContact O-N 3.1Å; I1940-S1942 VanDerWaalsContact C-N 3.33Å; I1940-S1942 PolarHBondContact O-N 3Å; I1940-L1943 PolarHBondContact O-N 2.92Å; I1940-I1944 HydrophobicContact CG2-CD1 3.94Å; I1940-I1944 WeakPolarHBondContact O-CG1 3.38Å; I1940-I1944 PolarHBondContact O-N 3.08Å; I1940-I1944 VanDerWaalsContact O-N 3.17Å
1941C42.7Very low40.9Very low48 Ų48110.3 Ų110.332%0.32458%0.578SS.*Hα-helixtrans-67.2-33.4178.1-63.60000112.7K1937 N1945K1937-C1941 WeakPolarHBondContact O-CB 3.39Å; K1937-C1941 PolarHBondContact O-N 3.43Å; K1937-C1941 VanDerWaalsContact O-N 3.12Å; K1937-C1941 PolarHBondContact O-SG 2.87Å; C1941-N1945 VanDerWaalsContact O-CB 3.29Å; C1941-N1945 WeakPolarHBondContact O-CB 3.29Å; C1941-N1945 VanDerWaalsContact O-CG 3.29Å; C1941-N1945 PolarHBondContact O-N 3.5Å
1942S48.7Very low41.6Very low56 Ų56115 Ų11539%0.39258%0.583SS.*Hα-helixtrans-64.7-47.9174.9-178.40000111.4Y1938 T1939 I1940 I1944 N1945 D1946Y1938-S1942 WeakPolarHBondContact O-CB 3.47Å; Y1938-S1942 PolarHBondContact O-N 2.77Å; T1939-S1942 PolarHBondContact O-N 2.65Å; I1940-S1942 VanDerWaalsContact C-N 3.33Å; I1940-S1942 PolarHBondContact O-N 3Å; S1942-I1944 VanDerWaalsContact C-N 3.29Å; S1942-I1944 PolarHBondContact O-N 2.92Å; S1942-N1945 PolarHBondContact O-N 3.32Å; S1942-D1946 WeakPolarHBondContact O-CB 3.13Å; S1942-D1946 PolarHBondContact O-N 3.3Å
1943L42.3Very low42.4Very low74 Ų74112.3 Ų112.339%0.38756%0.555SS.*Hα-helixtrans-61.1-36178.4-73.7167.7000113.2T1939 I1940 I1949T1939-L1943 HydrophobicContact CG2-CD1 4.17Å; T1939-L1943 WeakPolarHBondContact O-CG 3.34Å; T1939-L1943 PolarHBondContact O-N 3.21Å; T1939-L1943 VanDerWaalsContact O-N 3.08Å; I1940-L1943 PolarHBondContact O-N 2.92Å; L1943-I1949 HydrophobicContact CB-CD1 3.89Å; L1943-I1949 HydrophobicContact CD1-CD1 4.34Å; L1943-I1949 HydrophobicContact CD2-CD1 4.36Å; L1943-I1949 HydrophobicContact CG-CD1 4.43Å
1944I44.2Very low43.1Very low100 Ų100105.4 Ų105.451%0.51354%0.536SS..Hα-helixtrans-72.5-48.7175.7-66.6168.8000111I1940 S1942 D1946 R1947I1940-I1944 HydrophobicContact CG2-CD1 3.94Å; I1940-I1944 WeakPolarHBondContact O-CG1 3.38Å; I1940-I1944 PolarHBondContact O-N 3.08Å; I1940-I1944 VanDerWaalsContact O-N 3.17Å; S1942-I1944 VanDerWaalsContact C-N 3.29Å; S1942-I1944 PolarHBondContact O-N 2.92Å; I1944-D1946 PolarHBondContact O-N 2.91Å; I1944-R1947 PolarHBondContact O-N 2.91Å
1945N53.2Low43.8Very low130 Ų130106.5 Ų106.570%0.69554%0.537SS*.Hα-helixtrans-69.4-33.9-175.5-75.4-13.3000113.5C1941 S1942 R1947C1941-N1945 VanDerWaalsContact O-CB 3.29Å; C1941-N1945 WeakPolarHBondContact O-CB 3.29Å; C1941-N1945 VanDerWaalsContact O-CG 3.29Å; C1941-N1945 PolarHBondContact O-N 3.5Å; S1942-N1945 PolarHBondContact O-N 3.32Å; N1945-R1947 PolarHBondContact O-N 3.38Å
1946D48.5Very low44.2Very low87 Ų87104.8 Ų104.847%0.46553%0.525SS..THydrogen-bonded Turntrans-70.7-3.7176.7-90.514.5000113.6S1942 I1944 K1948S1942-D1946 WeakPolarHBondContact O-CB 3.13Å; S1942-D1946 PolarHBondContact O-N 3.3Å; I1944-D1946 PolarHBondContact O-N 2.91Å; D1946-K1948 HydrophobicContact CB-CD 3.86Å; D1946-K1948 HydrophobicContact CB-CG 4.06Å; D1946-K1948 PolarHBondContact O-N 3.47Å; D1946-K1948 VanDerWaalsContact O-N 3.13Å; D1946-K1948 WeakPolarHBondContact OD2-CE 3.48Å; D1946-K1948 IonicContact OD2-NZ 2.66Å; D1946-K1948 PolarHBondContact OD2-NZ 3.15Å
1947R44.7Very low44.5Very low228 Ų228103 Ų10386%0.8651%0.514SS*.THydrogen-bonded Turntrans5426.2-175.5-62-175.4171.4-165.7-2.6114.4I1944 N1945 I1949I1944-R1947 PolarHBondContact O-N 2.91Å; N1945-R1947 PolarHBondContact O-N 3.38Å; R1947-I1949 VanDerWaalsContact C-N 3.34Å
1948K46.4Very low45Very low145 Ų145103.8 Ų103.863%0.6352%0.518SS*.  trans-83.3-7-178.4-76.7169.6-175.7158.60114.4D1946D1946-K1948 HydrophobicContact CB-CD 3.86Å; D1946-K1948 HydrophobicContact CB-CG 4.06Å; D1946-K1948 PolarHBondContact O-N 3.47Å; D1946-K1948 VanDerWaalsContact O-N 3.13Å; D1946-K1948 WeakPolarHBondContact OD2-CE 3.48Å; D1946-K1948 IonicContact OD2-NZ 2.66Å; D1946-K1948 PolarHBondContact OD2-NZ 3.15Å
1949I39.5Very low45.4Very low60 Ų6099.1 Ų99.131%0.30850%0.503SS..SBendtrans-119.4125.5175.5-58-177.4000108L1943 R1947 E1953L1943-I1949 HydrophobicContact CB-CD1 3.89Å; L1943-I1949 HydrophobicContact CD1-CD1 4.34Å; L1943-I1949 HydrophobicContact CD2-CD1 4.36Å; L1943-I1949 HydrophobicContact CG-CD1 4.43Å; R1947-I1949 VanDerWaalsContact C-N 3.34Å; I1949-E1953 HydrophobicContact CG2-CB 3.78Å
1950S48.9Very low45.5Very low50 Ų5098.2 Ų98.235%0.3550%0.495SS..  trans-77.2159.917568.80000112.2Q1952 E1953 L1954S1950-Q1952 PolarHBondContact O-N 3.22Å; S1950-E1953 WeakPolarHBondContact CB-OE2 3.22Å; S1950-E1953 PolarHBondContact N-OE2 3.27Å; S1950-E1953 PolarHBondContact O-N 3.42Å; S1950-E1953 WeakPolarHBondContact OG-CG 3.38Å; S1950-E1953 PolarHBondContact OG-N 3.08Å; S1950-E1953 PolarHBondContact OG-OE2 2.88Å; S1950-L1954 PolarHBondContact O-N 3.4Å
1951V50.7Low46Very low118 Ų11896.8 Ų96.872%0.71549%0.49SS*.Hα-helixtrans-60.8-32.3175.1-179.60000111.5L1954 E1955V1951-L1954 PolarHBondContact O-N 2.72Å; V1951-E1955 WeakPolarHBondContact O-CG 3.38Å; V1951-E1955 PolarHBondContact O-N 3.26Å
1952Q45.2Very low46.5Very low166 Ų16698.3 Ų98.378%0.77650%0.495SS*.Hα-helixtrans-69.3-36.9176.7-70.4179.5-36.900112.6S1950 L1954 E1955 S1956S1950-Q1952 PolarHBondContact O-N 3.22Å; Q1952-L1954 VanDerWaalsContact C-N 3.35Å; Q1952-E1955 PolarHBondContact O-N 3.34Å; Q1952-S1956 PolarHBondContact O-N 2.95Å
1953E46Very low46.7Very low75 Ų7597.2 Ų97.235%0.3548%0.483SS..Hα-helixtrans-68.2-34.7171.2-72160.9109.100111.9I1949 S1950 S1956 M1957I1949-E1953 HydrophobicContact CG2-CB 3.78Å; S1950-E1953 WeakPolarHBondContact CB-OE2 3.22Å; S1950-E1953 PolarHBondContact N-OE2 3.27Å; S1950-E1953 PolarHBondContact O-N 3.42Å; S1950-E1953 WeakPolarHBondContact OG-CG 3.38Å; S1950-E1953 PolarHBondContact OG-N 3.08Å; S1950-E1953 PolarHBondContact OG-OE2 2.88Å; E1953-S1956 PolarHBondContact O-N 3.42Å; E1953-S1956 PolarHBondContact O-OG 3.05Å; E1953-M1957 WeakPolarHBondContact O-CG 3.41Å; E1953-M1957 PolarHBondContact O-N 3.37Å
1954L44.3Very low47.5Very low92 Ų9294 Ų9448%0.48247%0.466SS..Hα-helixtrans-68.2-39.5175.3-171.862.6000112.1S1950 V1951 Q1952 M1957 K1958S1950-L1954 PolarHBondContact O-N 3.4Å; V1951-L1954 PolarHBondContact O-N 2.72Å; Q1952-L1954 VanDerWaalsContact C-N 3.35Å; L1954-M1957 HydrophobicContact CD1-CE 4.36Å; L1954-M1957 PolarHBondContact O-N 2.62Å; L1954-K1958 PolarHBondContact O-N 3Å
1955E47.4Very low48.3Very low133 Ų13394 Ų9462%0.62146%0.46SS*.Hα-helixtrans-64.8-39.6170.4-70-129.7124.600112V1951 Q1952 M1957 K1958 Q1959V1951-E1955 WeakPolarHBondContact O-CG 3.38Å; V1951-E1955 PolarHBondContact O-N 3.26Å; Q1952-E1955 PolarHBondContact O-N 3.34Å; E1955-M1957 VanDerWaalsContact C-N 3.31Å; E1955-M1957 PolarHBondContact O-N 3.33Å; E1955-K1958 WeakPolarHBondContact O-CB 3.42Å; E1955-K1958 PolarHBondContact O-N 2.86Å; E1955-Q1959 WeakPolarHBondContact O-CB 3.35Å; E1955-Q1959 PolarHBondContact O-N 3.39Å
1956S45.9Very low48.4Very low56 Ų5688.9 Ų88.939%0.39243%0.433SS..Hα-helixtrans-64.5-35.3175.587.90000112Q1952 E1953 Q1959 N1960Q1952-S1956 PolarHBondContact O-N 2.95Å; E1953-S1956 PolarHBondContact O-N 3.42Å; E1953-S1956 PolarHBondContact O-OG 3.05Å; S1956-Q1959 PolarHBondContact O-N 2.93Å; S1956-N1960 VanDerWaalsContact O-CB 3.29Å; S1956-N1960 WeakPolarHBondContact O-CB 3.44Å; S1956-N1960 PolarHBondContact O-N 2.88Å; S1956-N1960 PolarHBondContact O-ND2 3.43Å; S1956-N1960 VanDerWaalsContact O-ND2 3.15Å
1957M41.4Very low48.9Very low91 Ų9184.7 Ų84.745%0.44841%0.411SS..Hα-helixtrans-67.6-38.3171.6-73.9-145.6-65.600113E1953 L1954 E1955 N1960 T1961E1953-M1957 WeakPolarHBondContact O-CG 3.41Å; E1953-M1957 PolarHBondContact O-N 3.37Å; L1954-M1957 HydrophobicContact CD1-CE 4.36Å; L1954-M1957 PolarHBondContact O-N 2.62Å; E1955-M1957 VanDerWaalsContact C-N 3.31Å; E1955-M1957 PolarHBondContact O-N 3.33Å; M1957-N1960 PolarHBondContact O-N 3.02Å; M1957-T1961 WeakPolarHBondContact O-CB 3.37Å; M1957-T1961 PolarHBondContact O-N 3.29Å; M1957-T1961 PolarHBondContact O-OG1 2.87Å
1958K45.7Very low49.8Very low135 Ų13576.8 Ų76.859%0.58738%0.381SS*.Hα-helixtrans-60-50.1170.3-76.1-172.9173.5-172.20110.8L1954 E1955 N1960 T1961 L1962L1954-K1958 PolarHBondContact O-N 3Å; E1955-K1958 WeakPolarHBondContact O-CB 3.42Å; E1955-K1958 PolarHBondContact O-N 2.86Å; K1958-N1960 VanDerWaalsContact C-N 3.3Å; K1958-N1960 PolarHBondContact O-N 2.97Å; K1958-T1961 PolarHBondContact O-N 3.23Å; K1958-T1961 PolarHBondContact O-OG1 3.37Å; K1958-T1961 VanDerWaalsContact O-OG1 3.04Å; K1958-L1962 PolarHBondContact O-N 2.9Å
1959Q47.6Very low50.4Low83 Ų8373.5 Ų73.539%0.38837%0.367SS..Hα-helixtrans-64.9-32.1-178.1-166.261.93900112.9E1955 S1956 Q1963E1955-Q1959 WeakPolarHBondContact O-CB 3.35Å; E1955-Q1959 PolarHBondContact O-N 3.39Å; S1956-Q1959 PolarHBondContact O-N 2.93Å; Q1959-Q1963 PolarHBondContact O-NE2 2.91Å
1960N45Very low51.4Low54 Ų5472.4 Ų72.429%0.28936%0.362SS..Hα-helixtrans-77-33.8174.8-75.6-31000113.5S1956 M1957 K1958 L1962 Q1963S1956-N1960 VanDerWaalsContact O-CB 3.29Å; S1956-N1960 WeakPolarHBondContact O-CB 3.44Å; S1956-N1960 PolarHBondContact O-N 2.88Å; S1956-N1960 PolarHBondContact O-ND2 3.43Å; S1956-N1960 VanDerWaalsContact O-ND2 3.15Å; M1957-N1960 PolarHBondContact O-N 3.02Å; K1958-N1960 VanDerWaalsContact C-N 3.3Å; K1958-N1960 PolarHBondContact O-N 2.97Å; N1960-L1962 VanDerWaalsContact C-N 3.35Å; N1960-Q1963 PolarHBondContact OD1-NE2 3.05Å
1961T48.2Very low52.2Low52 Ų5270 Ų7032%0.31935%0.346SS..Hα-helixtrans-75.2-23179.5430000113.4M1957 K1958 L2223M1957-T1961 WeakPolarHBondContact O-CB 3.37Å; M1957-T1961 PolarHBondContact O-N 3.29Å; M1957-T1961 PolarHBondContact O-OG1 2.87Å; K1958-T1961 PolarHBondContact O-N 3.23Å; K1958-T1961 PolarHBondContact O-OG1 3.37Å; K1958-T1961 VanDerWaalsContact O-OG1 3.04Å; T1961-L2223 HydrophobicContact CG2-CD2 3.58Å
1962L51.7Low52.7Low80 Ų8069 Ų6942%0.41934%0.336SS..Hα-helixtrans-70.6-34.7172.5-79.5160.9000113.9K1958 N1960 F1964 Y1965K1958-L1962 PolarHBondContact O-N 2.9Å; N1960-L1962 VanDerWaalsContact C-N 3.35Å; L1962-F1964 PolarHBondContact O-N 2.91Å; L1962-Y1965 WeakPolarHBondContact O-CB 3.3Å; L1962-Y1965 PolarHBondContact O-N 3.2Å; L1962-Y1965 VanDerWaalsContact O-N 3.08Å
1963Q53.1Low53.4Low33 Ų3366.8 Ų66.815%0.15433%0.326CS..THydrogen-bonded Turntrans-56.9-27.7-168.4-76.4167.434.700115.3S1688 Q1959 N1960S1688-Q1963 WeakPolarHBondContact CB-O 3.43Å; S1688-Q1963 PolarHBondContact OG-O 3Å; Q1959-Q1963 PolarHBondContact O-NE2 2.91Å; N1960-Q1963 PolarHBondContact OD1-NE2 3.05Å
1964F59.7Low54.1Low5 Ų567.6 Ų67.62%0.02233%0.332CS..THydrogen-bonded Turntrans-122.921.2-179.9-61.7-81.8000113N1671 Q1674 L1962 N1966 S1967 R1968 P2224N1671-F1964 VanDerWaalsContact O-CE2 3.28Å; N1671-F1964 WeakPolarHBondContact O-CE2 3.41Å; N1671-F1964 WeakPolarHBondContact O-CZ 3.27Å; Q1674-F1964 HydrophobicContact CB-CE1 4.11Å; Q1674-F1964 HydrophobicContact CG-CD1 4.17Å; Q1674-F1964 HydrophobicContact CG-CE1 3.68Å; Q1674-F1964 HydrophobicContact CG-CE2 4.38Å; Q1674-F1964 HydrophobicContact CG-CZ 3.77Å; L1962-F1964 PolarHBondContact O-N 2.91Å; F1964-N1966 PolarHBondContact O-N 2.79Å; F1964-S1967 PolarHBondContact O-N 3.28Å; F1964-R1968 WeakPolarHBondContact O-CB 3.34Å; F1964-R1968 WeakPolarHBondContact O-CG 3.3Å; F1964-R1968 PolarHBondContact O-N 3.01Å; F1964-P2224 HydrophobicContact CD2-CG 4.16Å; F1964-P2224 HydrophobicContact CE2-CG 3.92Å
1965Y60.7Low55Low100 Ų10064.1 Ų64.139%0.39232%0.318SS..Hα-helixtrans-56.4-49.1-177.4-179.4-94.9000111.8L1962 R1968 H1969L1962-Y1965 WeakPolarHBondContact O-CB 3.3Å; L1962-Y1965 PolarHBondContact O-N 3.2Å; L1962-Y1965 VanDerWaalsContact O-N 3.08Å; Y1965-R1968 PolarHBondContact O-N 3.09Å; Y1965-H1969 WeakPolarHBondContact O-CB 3.4Å; Y1965-H1969 PolarHBondContact O-N 2.89Å
1966N56.6Low55.9Low23 Ų2359.9 Ų59.912%0.12330%0.297CS..Hα-helixtrans-64.9-42.3179.8-64.4-21.3000112.3L1776 F1964 R1968 H1969 L1970L1776-N1966 HydrophobicContact CD1-CB 4Å; F1964-N1966 PolarHBondContact O-N 2.79Å; N1966-R1968 VanDerWaalsContact C-N 3.35Å; N1966-R1968 PolarHBondContact O-N 2.76Å; N1966-H1969 PolarHBondContact O-N 3.2Å; N1966-L1970 WeakPolarHBondContact O-CB 3.46Å; N1966-L1970 PolarHBondContact O-N 3.06Å
1967S58.6Low56.8Low0 Ų059.2 Ų59.20%029%0.289CS..Hα-helixtrans-58.4-45.1173.9-43.50000112.1F1686 T1758 F1964 L1971F1686-S1967 VanDerWaalsContact CD1-CB 3.43Å; F1686-S1967 VanDerWaalsContact CD1-OG 3.23Å; F1686-S1967 WeakPolarHBondContact CD1-OG 3.2Å; T1758-S1967 WeakPolarHBondContact CG2-OG 3.47Å; F1964-S1967 PolarHBondContact O-N 3.28Å; S1967-L1971 WeakPolarHBondContact O-CB 3.41Å; S1967-L1971 WeakPolarHBondContact O-CG 3.25Å; S1967-L1971 PolarHBondContact O-N 2.95Å
1968R63Low58Low62 Ų6257 Ų5723%0.23428%0.282CS..Hα-helixtrans-65.1-39.6176.4-74.3167.646.6171.9-10.9111.8F1964 Y1965 N1966 N1972 I2221 L2222F1964-R1968 WeakPolarHBondContact O-CB 3.34Å; F1964-R1968 WeakPolarHBondContact O-CG 3.3Å; F1964-R1968 PolarHBondContact O-N 3.01Å; Y1965-R1968 PolarHBondContact O-N 3.09Å; N1966-R1968 VanDerWaalsContact C-N 3.35Å; N1966-R1968 PolarHBondContact O-N 2.76Å; R1968-N1972 WeakPolarHBondContact O-CB 3.37Å; R1968-N1972 PolarHBondContact O-N 3.35Å; R1968-I2221 HydrophobicContact CG-CG2 4.27Å; R1968-L2222 VanDerWaalsContact CZ-CD2 3.5Å; R1968-L2222 PolarHBondContact NH1-O 3.07Å
1969H59.7Low58.9Low75 Ų7558.9 Ų58.935%0.34729%0.285SS..Hα-helixtrans-67.7-41.6179.7-152.6-74.3000111.5Y1965 N1966 N1972 Q1973Y1965-H1969 WeakPolarHBondContact O-CB 3.4Å; Y1965-H1969 PolarHBondContact O-N 2.89Å; N1966-H1969 PolarHBondContact O-N 3.2Å; H1969-N1972 WeakPolarHBondContact O-CB 3.15Å; H1969-N1972 PolarHBondContact O-N 3.37Å; H1969-Q1973 VanDerWaalsContact ND1-CD 3.32Å; H1969-Q1973 PolarHBondContact ND1-OE1 3.41Å; H1969-Q1973 WeakPolarHBondContact O-CG 3.38Å; H1969-Q1973 PolarHBondContact O-N 2.85Å; H1969-Q1973 PolarHBondContact O-OE1 2.88Å
1970L60.9Low59.7Low37 Ų3761.1 Ų61.119%0.19429%0.294CS..Hα-helixtrans-63.1-48173.9-17765.6000112F1686 I1760 N1966 N1972 Q1973 L1974F1686-L1970 HydrophobicContact CE1-CD2 4.11Å; F1686-L1970 HydrophobicContact CZ-CD2 4.33Å; I1760-L1970 HydrophobicContact CD1-CD2 3.44Å; I1760-L1970 VanDerWaalsContact CD1-CD2 3.44Å; N1966-L1970 WeakPolarHBondContact O-CB 3.46Å; N1966-L1970 PolarHBondContact O-N 3.06Å; L1970-N1972 PolarHBondContact O-N 3.4Å; L1970-Q1973 PolarHBondContact O-N 2.99Å; L1970-L1974 HydrophobicContact CD1-CD1 3.98Å; L1970-L1974 HydrophobicContact CD1-CG 4.2Å; L1970-L1974 HydrophobicContact CG-CD1 3.87Å; L1970-L1974 HydrophobicContact CG-CG 4.43Å; L1970-L1974 WeakPolarHBondContact O-CB 3.47Å; L1970-L1974 WeakPolarHBondContact O-CG 3.45Å; L1970-L1974 PolarHBondContact O-N 2.82Å
1971L63.9Low60.6Low1 Ų160.1 Ų60.11%0.00529%0.288CS..Hα-helixtrans-62-26.1175.5-71.2174000112.8F1676 F1686 S1967 G1975 Y1976 L1977 I2221F1676-L1971 HydrophobicContact CE1-CD1 4Å; F1676-L1971 HydrophobicContact CE2-CD1 4.31Å; F1676-L1971 HydrophobicContact CZ-CD1 3.82Å; F1686-L1971 HydrophobicContact CZ-CG 4.46Å; S1967-L1971 WeakPolarHBondContact O-CB 3.41Å; S1967-L1971 WeakPolarHBondContact O-CG 3.25Å; S1967-L1971 PolarHBondContact O-N 2.95Å; L1971-G1975 PolarHBondContact O-N 2.82Å; L1971-Y1976 HydrophobicContact CD2-CD2 3.94Å; L1971-Y1976 PolarHBondContact O-N 2.75Å; L1971-L1977 HydrophobicContact CB-CD2 4.39Å; L1971-L1977 HydrophobicContact CB-CG 4.36Å; L1971-L1977 PolarHBondContact O-N 3.49Å; L1971-I2221 HydrophobicContact CD1-CG2 4.33Å
1972N62.8Low61.4Low97 Ų9759.1 Ų59.152%0.51928%0.278SS..Hα-helixtrans-76.8-45.1173.1-164.953000112.1R1968 H1969 L1970 L1974 G1975 L1977R1968-N1972 WeakPolarHBondContact O-CB 3.37Å; R1968-N1972 PolarHBondContact O-N 3.35Å; H1969-N1972 WeakPolarHBondContact O-CB 3.15Å; H1969-N1972 PolarHBondContact O-N 3.37Å; L1970-N1972 PolarHBondContact O-N 3.4Å; N1972-L1974 VanDerWaalsContact C-N 3.34Å; N1972-L1974 PolarHBondContact O-N 2.94Å; N1972-G1975 WeakPolarHBondContact O-CA 3.41Å; N1972-G1975 PolarHBondContact O-N 3.44Å; N1972-L1977 HydrophobicContact CB-CD1 3.85Å; N1972-L1977 HydrophobicContact CB-CG 4.49Å
1973Q59.1Low61.9Low119 Ų11960.3 Ų60.356%0.55629%0.29SS*.Hα-helixtrans-62.4-38.9176.7-76.2166.5-54.900112.2H1969 L1970 G1975H1969-Q1973 VanDerWaalsContact ND1-CD 3.32Å; H1969-Q1973 PolarHBondContact ND1-OE1 3.41Å; H1969-Q1973 WeakPolarHBondContact O-CG 3.38Å; H1969-Q1973 PolarHBondContact O-N 2.85Å; H1969-Q1973 PolarHBondContact O-OE1 2.88Å; L1970-Q1973 PolarHBondContact O-N 2.99Å; Q1973-G1975 PolarHBondContact O-N 2.82Å
1974L61.4Low62.4Low92 Ų9261.2 Ų61.248%0.48230%0.298SS..THydrogen-bonded Turntrans-76.72.7172.8-61.2173.1000113.2L1970 N1972 Y1976L1970-L1974 HydrophobicContact CD1-CD1 3.98Å; L1970-L1974 HydrophobicContact CD1-CG 4.2Å; L1970-L1974 HydrophobicContact CG-CD1 3.87Å; L1970-L1974 HydrophobicContact CG-CG 4.43Å; L1970-L1974 WeakPolarHBondContact O-CB 3.47Å; L1970-L1974 WeakPolarHBondContact O-CG 3.45Å; L1970-L1974 PolarHBondContact O-N 2.82Å; N1972-L1974 VanDerWaalsContact C-N 3.34Å; N1972-L1974 PolarHBondContact O-N 2.94Å; L1974-Y1976 HydrophobicContact CB-CD2 3.5Å; L1974-Y1976 HydrophobicContact CB-CE2 3.58Å; L1974-Y1976 HydrophobicContact CB-CG 4.43Å; L1974-Y1976 HydrophobicContact CD1-CD2 4.22Å; L1974-Y1976 HydrophobicContact CD1-CE2 3.9Å; L1974-Y1976 HydrophobicContact CG-CE2 4.33Å; L1974-Y1976 PolarHBondContact O-N 3.45Å
1975G63Low62.9Low19 Ų1961 Ų6120%0.19630%0.297CS..THydrogen-bonded Turntrans71.16.617500000115.9L1971 N1972 Q1973 L1977 S1978 H1981L1971-G1975 PolarHBondContact O-N 2.82Å; N1972-G1975 WeakPolarHBondContact O-CA 3.41Å; N1972-G1975 PolarHBondContact O-N 3.44Å; Q1973-G1975 PolarHBondContact O-N 2.82Å; G1975-L1977 VanDerWaalsContact C-N 3.27Å; G1975-L1977 PolarHBondContact O-N 2.88Å; G1975-S1978 VanDerWaalsContact O-CB 3.31Å; G1975-S1978 WeakPolarHBondContact O-CB 3.37Å; G1975-S1978 PolarHBondContact O-N 2.96Å; G1975-S1978 VanDerWaalsContact O-N 3.09Å; G1975-S1978 PolarHBondContact O-OG 2.91Å; G1975-H1981 PolarHBondContact O-ND1 3.37Å
1976Y66.3Low63.7Low44 Ų4458.7 Ų58.717%0.17329%0.29CS..THydrogen-bonded Turntrans-72.8-13.1-176.4-67.4-53.1000114.5L1678 L1971 L1974 S1978 H1981 V1985 Y2217L1678-Y1976 HydrophobicContact CD2-CD2 3.96Å; L1678-Y1976 HydrophobicContact CD2-CE1 4.25Å; L1678-Y1976 HydrophobicContact CD2-CE2 3.56Å; L1678-Y1976 HydrophobicContact CD2-CG 4.46Å; L1971-Y1976 HydrophobicContact CD2-CD2 3.94Å; L1971-Y1976 PolarHBondContact O-N 2.75Å; L1974-Y1976 HydrophobicContact CB-CD2 3.5Å; L1974-Y1976 HydrophobicContact CB-CE2 3.58Å; L1974-Y1976 HydrophobicContact CB-CG 4.43Å; L1974-Y1976 HydrophobicContact CD1-CD2 4.22Å; L1974-Y1976 HydrophobicContact CD1-CE2 3.9Å; L1974-Y1976 HydrophobicContact CG-CE2 4.33Å; L1974-Y1976 PolarHBondContact O-N 3.45Å; Y1976-S1978 VanDerWaalsContact C-N 3.29Å; Y1976-H1981 HydrophobicContact CD1-CB 4.13Å; Y1976-V1985 HydrophobicContact CD1-CG2 3.35Å; Y1976-V1985 HydrophobicContact CD2-CG2 4.3Å; Y1976-V1985 HydrophobicContact CE1-CG2 3.97Å; Y1976-V1985 HydrophobicContact CG-CG2 3.56Å; Y1976-Y2217 PolarHBondContact O-OH 2.97Å
1977L65.1Low64.8Low42 Ų4258.9 Ų58.922%0.2229%0.291CS..THydrogen-bonded Turntrans-81.4-5.8168.9-60.1-174.8000113.4L1971 N1972 G1975 I2221L1971-L1977 HydrophobicContact CB-CD2 4.39Å; L1971-L1977 HydrophobicContact CB-CG 4.36Å; L1971-L1977 PolarHBondContact O-N 3.49Å; N1972-L1977 HydrophobicContact CB-CD1 3.85Å; N1972-L1977 HydrophobicContact CB-CG 4.49Å; G1975-L1977 VanDerWaalsContact C-N 3.27Å; G1975-L1977 PolarHBondContact O-N 2.88Å; L1977-I2221 HydrophobicContact CD2-CD1 4.32Å; L1977-I2221 HydrophobicContact CD2-CG2 4.21Å
1978S66.2Low65.9Low43 Ų4359 Ų5930%0.30129%0.292SS..SBendtrans-78.9147.5177.477.20000112.2G1975 Y1976 K1980 H1981 R1982G1975-S1978 VanDerWaalsContact O-CB 3.31Å; G1975-S1978 WeakPolarHBondContact O-CB 3.37Å; G1975-S1978 PolarHBondContact O-N 2.96Å; G1975-S1978 VanDerWaalsContact O-N 3.09Å; G1975-S1978 PolarHBondContact O-OG 2.91Å; Y1976-S1978 VanDerWaalsContact C-N 3.29Å; S1978-K1980 PolarHBondContact O-N 2.66Å; S1978-K1980 VanDerWaalsContact O-N 3.12Å; S1978-H1981 PolarHBondContact O-N 3.22Å; S1978-H1981 PolarHBondContact OG-ND1 3.1Å; S1978-R1982 PolarHBondContact O-N 3.21Å
1979W63.7Low66.8Low175 Ų17561.4 Ų61.466%0.66331%0.306SS*.G310 helixtrans-54.4-34.1179.3-175.1-82.1000113.3H1981 R1982 F2214W1979-H1981 PolarHBondContact O-N 3.11Å; W1979-R1982 PolarHBondContact O-N 2.91Å; W1979-F2214 HydrophobicContact CD2-CG 4.48Å; W1979-F2214 HydrophobicContact CE3-CB 3.87Å; W1979-F2214 AromaticContact CE3-CD1 3.54Å; W1979-F2214 HydrophobicContact CE3-CD1 3.54Å; W1979-F2214 AromaticContact CE3-CD2 3.82Å; W1979-F2214 HydrophobicContact CE3-CD2 3.82Å; W1979-F2214 HydrophobicContact CE3-CE1 4Å; W1979-F2214 HydrophobicContact CE3-CE2 4.26Å; W1979-F2214 AromaticContact CE3-CG 3.44Å; W1979-F2214 HydrophobicContact CE3-CG 3.44Å; W1979-F2214 VanDerWaalsContact CE3-CG 3.44Å; W1979-F2214 HydrophobicContact CE3-CZ 4.35Å; W1979-F2214 HydrophobicContact CH2-CB 4.01Å; W1979-F2214 HydrophobicContact CH2-CG 4.48Å; W1979-F2214 HydrophobicContact CZ3-CB 3.37Å; W1979-F2214 AromaticContact CZ3-CD1 3.57Å; W1979-F2214 HydrophobicContact CZ3-CD1 3.57Å; W1979-F2214 HydrophobicContact CZ3-CD2 4.25Å; W1979-F2214 HydrophobicContact CZ3-CE1 4.44Å; W1979-F2214 AromaticContact CZ3-CG 3.45Å; W1979-F2214 HydrophobicContact CZ3-CG 3.45Å; W1979-F2214 VanDerWaalsContact CZ3-CG 3.45Å
1980K65.3Low67.8Low130 Ų13061.1 Ų61.157%0.56531%0.306SS*.G310 helixtrans-61.7-30.1178.7-65.5-175.6-178.7-179.60113.1N1726 S1978N1726-K1980 PolarHBondContact OD1-NZ 3.45Å; S1978-K1980 PolarHBondContact O-N 2.66Å; S1978-K1980 VanDerWaalsContact O-N 3.12Å
1981H63.4Low68.8Low34 Ų3460.6 Ų60.616%0.15731%0.305CS..G310 helixtrans-105.51.3-175.6-56.5146.7000113.7Y1729 G1975 Y1976 S1978 W1979 P1983 T1984 V1985Y1729-H1981 AromaticContact CE2-CE1 3.68Å; Y1729-H1981 AromaticContact CE2-NE2 3.63Å; Y1729-H1981 AromaticContact CZ-CE1 3.8Å; G1975-H1981 PolarHBondContact O-ND1 3.37Å; Y1976-H1981 HydrophobicContact CD1-CB 4.13Å; S1978-H1981 PolarHBondContact O-N 3.22Å; S1978-H1981 PolarHBondContact OG-ND1 3.1Å; W1979-H1981 PolarHBondContact O-N 3.11Å; H1981-P1983 VanDerWaalsContact C-N 3.25Å; H1981-T1984 PolarHBondContact O-N 3.4Å; H1981-T1984 PolarHBondContact O-OG1 3.03Å; H1981-V1985 PolarHBondContact O-N 3.48Å
1982R65.7Low69.6Low30 Ų3066 Ų6611%0.11334%0.34CS..THydrogen-bonded Turntrans-51.7-35.2170.5175.861-170.298.4-2.2114.1S1978 W1979 T1984 V1985 T2212 F2214 Y2217S1978-R1982 PolarHBondContact O-N 3.21Å; W1979-R1982 PolarHBondContact O-N 2.91Å; R1982-T1984 VanDerWaalsContact C-N 3.29Å; R1982-T1984 PolarHBondContact O-N 3.14Å; R1982-V1985 PolarHBondContact NH1-O 3.22Å; R1982-T2212 PolarHBondContact NH2-O 3.12Å; R1982-T2212 PolarHBondContact NH2-OG1 3.14Å; R1982-F2214 HydrophobicContact CB-CD2 3.85Å; R1982-F2214 HydrophobicContact CB-CE2 4.32Å; R1982-F2214 HydrophobicContact CG-CD2 3.87Å; R1982-Y2217 VanDerWaalsContact NE-CG 3.32Å
1983P62Low70.7Confident105 Ų10563.1 Ų63.168%0.68233%0.33SS*.THydrogen-bonded Turntrans-75.8-9.6177-18.133.3000115.2H1981H1981-P1983 VanDerWaalsContact C-N 3.25Å
1984T63.1Low72Confident53 Ų5357.5 Ų57.533%0.32530%0.304SS..THydrogen-bonded Turntrans-93.1-44.6176.371.50000110.5L1678 H1981 R1982L1678-T1984 CarbonylContact C-O 3.55Å; L1678-T1984 VanDerWaalsContact C-O 3.23Å; L1678-T1984 CarbonylContact O-C 3.57Å; L1678-T1984 WeakPolarHBondContact O-CB 3.47Å; H1981-T1984 PolarHBondContact O-N 3.4Å; H1981-T1984 PolarHBondContact O-OG1 3.03Å; R1982-T1984 VanDerWaalsContact C-N 3.29Å; R1982-T1984 PolarHBondContact O-N 3.14Å
1985V69.9Low73Confident0 Ų054.3 Ų54.30%029%0.287CS..  trans-96.7122.9-176.4-173.80000112.5F1676 V1677 L1678 Y1976 H1981 R1982 Y2217F1676-V1985 HydrophobicContact CB-CG1 4.4Å; F1676-V1985 HydrophobicContact CD1-CG1 3.92Å; V1677-V1985 VanDerWaalsContact O-CA 3.27Å; V1677-V1985 WeakPolarHBondContact O-CA 3.39Å; L1678-V1985 HydrophobicContact CD2-CG2 3.71Å; Y1976-V1985 HydrophobicContact CD1-CG2 3.35Å; Y1976-V1985 HydrophobicContact CD2-CG2 4.3Å; Y1976-V1985 HydrophobicContact CE1-CG2 3.97Å; Y1976-V1985 HydrophobicContact CG-CG2 3.56Å; H1981-V1985 PolarHBondContact O-N 3.48Å; R1982-V1985 PolarHBondContact NH1-O 3.22Å; V1985-Y2217 WeakPolarHBondContact CB-OH 3.5Å; V1985-Y2217 HydrophobicContact CG1-CE2 4.33Å; V1985-Y2217 VanDerWaalsContact CG1-OH 3.29Å; V1985-Y2217 WeakPolarHBondContact CG1-OH 3.38Å; V1985-Y2217 WeakPolarHBondContact O-CE2 3.46Å
1986E78.1Confident74Confident51 Ų5161.2 Ų61.224%0.23831%0.307CS..EExtended strand (participates in β ladder)trans-130.7149179.9-53.8-170.4124.300111.2F1676 V1677 T2209F1676-E1986 CarbonylContact C-O 3.27Å; F1676-E1986 WeakPolarHBondContact CA-O 3.29Å; V1677-E1986 HydrophobicContact CB-CB 4.16Å; V1677-E1986 HydrophobicContact CG2-CB 4.36Å; V1677-E1986 PolarHBondContact N-O 3.31Å; V1677-E1986 PolarHBondContact O-N 2.89Å; V1677-E1986 VanDerWaalsContact O-N 3.14Å; E1986-T2209 HydrophobicContact CB-CG2 4.31Å; E1986-T2209 HydrophobicContact CG-CG2 4.43Å; E1986-T2209 WeakPolarHBondContact OE1-CG2 3.33Å; E1986-T2209 WeakPolarHBondContact OE2-CB 3.48Å; E1986-T2209 WeakPolarHBondContact OE2-CG2 3.27Å; E1986-T2209 PolarHBondContact OE2-OG1 3.2Å
1987L79.7Confident75Confident27 Ų2760 Ų6014%0.14130%0.303CS..EExtended strand (participates in β ladder)trans-90.5134.3176.5-167.973.2000109.9I1675 F1676 L2210I1675-L1987 WeakPolarHBondContact O-CD1 3.38Å; F1676-L1987 HydrophobicContact CD1-CD1 4.24Å; F1676-L1987 HydrophobicContact CE1-CD1 4.04Å; F1676-L1987 HydrophobicContact CZ-CD1 4.42Å; L1987-L2210 HydrophobicContact CB-CD1 4.29Å; L1987-L2210 HydrophobicContact CD2-CD1 3.93Å; L1987-L2210 HydrophobicContact CG-CD1 4.15Å; L1987-L2210 VanDerWaalsContact O-CB 3.32Å; L1987-L2210 WeakPolarHBondContact O-CB 3.45Å; L1987-L2210 PolarHBondContact O-N 3.28Å
1988L82.7Confident75.9Confident3 Ų358.1 Ų58.12%0.01629%0.293CS..BIsolated β-bridgetrans-88.8140.7174.5-66.7-171.6000112.2I1675 V1677 I1683 I1990 L1994 I2204 Y2208I1675-L1988 HydrophobicContact CB-CB 4.33Å; I1675-L1988 HydrophobicContact CG2-CB 4.12Å; I1675-L1988 HydrophobicContact CG2-CD1 3.84Å; I1675-L1988 HydrophobicContact CG2-CG 4.26Å; I1675-L1988 PolarHBondContact O-N 2.95Å; V1677-L1988 HydrophobicContact CG2-CD1 4.27Å; V1677-L1988 HydrophobicContact CG2-CD2 3.39Å; V1677-L1988 HydrophobicContact CG2-CG 3.75Å; I1683-L1988 HydrophobicContact CD1-CD1 4.08Å; I1683-L1988 HydrophobicContact CG1-CD1 4.48Å; I1683-L1988 HydrophobicContact CG2-CD1 4.22Å; L1988-I1990 PolarHBondContact O-N 2.93Å; L1988-I1990 VanDerWaalsContact O-N 3.09Å; L1988-L1994 HydrophobicContact CB-CD2 3.93Å; L1988-L1994 HydrophobicContact CD1-CD1 4.21Å; L1988-L1994 HydrophobicContact CD1-CD2 4.35Å; L1988-I2204 HydrophobicContact CD1-CG2 4.04Å; L1988-Y2208 CarbonylContact C-O 3.53Å; L1988-Y2208 WeakPolarHBondContact CA-O 3.43Å
1989Q81.5Confident76.6Confident113 Ų11358.8 Ų58.853%0.52829%0.291SS..  trans-73100.9174-167.9177.2-6.400111.1S1991 L1994 Y2208 L2210Q1989-S1991 PolarHBondContact O-N 3.45Å; Q1989-S1991 PolarHBondContact O-OG 3.28Å; Q1989-L1994 WeakPolarHBondContact O-CD2 3.31Å; Q1989-Y2208 PolarHBondContact N-O 2.95Å; Q1989-L2210 HydrophobicContact CB-CD1 4.27Å; Q1989-L2210 HydrophobicContact CB-CD2 3.81Å; Q1989-L2210 HydrophobicContact CB-CG 3.94Å; Q1989-L2210 HydrophobicContact CG-CD2 4.14Å
1990I80.2Confident77.6Confident69 Ų6955.5 Ų55.535%0.35428%0.283SS..  trans-54.7123.4173.1-56.8176000109.4L1673 I1675 L1988L1673-I1990 HydrophobicContact CD2-CD1 4.34Å; I1675-I1990 HydrophobicContact CD1-CG1 4.13Å; I1675-I1990 HydrophobicContact CG1-CG1 4.36Å; L1988-I1990 PolarHBondContact O-N 2.93Å; L1988-I1990 VanDerWaalsContact O-N 3.09Å
1991S81.5Confident78.5Confident25 Ų2549.3 Ų49.318%0.17526%0.256CS..  trans-158.6154.3-178.963.20000110.9Q1989 A1993 L1994 I1995 Y2208Q1989-S1991 PolarHBondContact O-N 3.45Å; Q1989-S1991 PolarHBondContact O-OG 3.28Å; S1991-A1993 PolarHBondContact O-N 2.77Å; S1991-A1993 VanDerWaalsContact O-N 3.09Å; S1991-L1994 PolarHBondContact O-N 2.94Å; S1991-L1994 WeakPolarHBondContact OG-CB 3.45Å; S1991-L1994 PolarHBondContact OG-N 3.22Å; S1991-I1995 VanDerWaalsContact O-CG1 3.31Å; S1991-I1995 WeakPolarHBondContact O-CG1 3.48Å; S1991-I1995 PolarHBondContact O-N 2.77Å; S1991-Y2208 WeakPolarHBondContact OG-CE1 3.34Å
1992P81.4Confident79.3Confident114 Ų11449 Ų4974%0.7426%0.255SS*.Hα-helixtrans-55.1-28.9175.6-28.236.4000114.3R1996P1992-R1996 PolarHBondContact O-N 3.34Å
1993A86.5Confident79.8Confident38 Ų3853.4 Ų53.431%0.31428%0.281SS..Hα-helixtrans-74.8-43.317600000112.2S1991 I1995 R1996 E1997 Y2208S1991-A1993 PolarHBondContact O-N 2.77Å; S1991-A1993 VanDerWaalsContact O-N 3.09Å; A1993-I1995 VanDerWaalsContact C-N 3.33Å; A1993-I1995 PolarHBondContact O-N 3.1Å; A1993-R1996 PolarHBondContact O-N 3.46Å; A1993-E1997 PolarHBondContact O-N 3.11Å; A1993-Y2208 VanDerWaalsContact C-OH 3.28Å; A1993-Y2208 HydrophobicContact CB-CE1 4.4Å; A1993-Y2208 WeakPolarHBondContact CB-OH 3.36Å
1994L86.2Confident80.6Confident0 Ų050.3 Ų50.30%026%0.259CS..Hα-helixtrans-59.7-44.5171.9174.262.3000110.7I1675 L1988 Q1989 S1991 R1996 E1997 L1998 I2204 Y2208I1675-L1994 HydrophobicContact CD1-CD2 4.29Å; L1988-L1994 HydrophobicContact CB-CD2 3.93Å; L1988-L1994 HydrophobicContact CD1-CD1 4.21Å; L1988-L1994 HydrophobicContact CD1-CD2 4.35Å; Q1989-L1994 WeakPolarHBondContact O-CD2 3.31Å; S1991-L1994 PolarHBondContact O-N 2.94Å; S1991-L1994 WeakPolarHBondContact OG-CB 3.45Å; S1991-L1994 PolarHBondContact OG-N 3.22Å; L1994-R1996 VanDerWaalsContact C-N 3.31Å; L1994-R1996 PolarHBondContact O-N 2.9Å; L1994-E1997 CarbonylContact O-C 3.57Å; L1994-E1997 PolarHBondContact O-N 3.3Å; L1994-E1997 VanDerWaalsContact O-N 3.1Å; L1994-L1998 HydrophobicContact CD1-CD1 3.96Å; L1994-L1998 HydrophobicContact CD1-CD2 4.45Å; L1994-L1998 HydrophobicContact CD1-CG 3.85Å; L1994-L1998 HydrophobicContact CD2-CD1 4.36Å; L1994-L1998 HydrophobicContact CG-CD1 3.83Å; L1994-L1998 HydrophobicContact CG-CG 4.18Å; L1994-L1998 WeakPolarHBondContact O-CB 3.34Å; L1994-L1998 WeakPolarHBondContact O-CG 3.36Å; L1994-L1998 PolarHBondContact O-N 3.29Å; L1994-I2204 HydrophobicContact CD1-CG2 3.55Å; L1994-Y2208 HydrophobicContact CB-CD1 3.91Å; L1994-Y2208 HydrophobicContact CB-CD2 4.21Å; L1994-Y2208 HydrophobicContact CB-CE1 3.87Å; L1994-Y2208 HydrophobicContact CB-CE2 4.19Å; L1994-Y2208 HydrophobicContact CB-CG 4.08Å; L1994-Y2208 HydrophobicContact CD1-CD2 3.63Å; L1994-Y2208 HydrophobicContact CD1-CE2 4.11Å; L1994-Y2208 HydrophobicContact CD1-CG 3.89Å; L1994-Y2208 HydrophobicContact CG-CD2 4.46Å; L1994-Y2208 HydrophobicContact CG-CG 4.39Å; L1994-Y2208 PolarHBondContact N-OH 2.79Å
1995I81.7Confident81Confident25 Ų2550 Ų5013%0.12827%0.265CS..Hα-helixtrans-57.9-44179.1-65.7162.9000111F1668 S1991 A1993 K1999F1668-I1995 HydrophobicContact CB-CD1 3.43Å; F1668-I1995 VanDerWaalsContact CB-CD1 3.43Å; F1668-I1995 HydrophobicContact CB-CG1 4.27Å; F1668-I1995 HydrophobicContact CD1-CD1 3.75Å; F1668-I1995 HydrophobicContact CD1-CG1 3.6Å; F1668-I1995 HydrophobicContact CD2-CD1 3.74Å; F1668-I1995 HydrophobicContact CD2-CG1 3.91Å; F1668-I1995 HydrophobicContact CD2-CG2 3.83Å; F1668-I1995 HydrophobicContact CE1-CD1 4.39Å; F1668-I1995 HydrophobicContact CE1-CG1 3.76Å; F1668-I1995 HydrophobicContact CE2-CB 4.34Å; F1668-I1995 HydrophobicContact CE2-CD1 4.35Å; F1668-I1995 HydrophobicContact CE2-CG1 4.02Å; F1668-I1995 HydrophobicContact CE2-CG2 3.46Å; F1668-I1995 VanDerWaalsContact CE2-CG2 3.46Å; F1668-I1995 HydrophobicContact CG-CD1 3.38Å; F1668-I1995 HydrophobicContact CG-CG1 3.69Å; F1668-I1995 HydrophobicContact CG-CG2 4.48Å; F1668-I1995 HydrophobicContact CZ-CB 4.41Å; F1668-I1995 HydrophobicContact CZ-CG1 3.95Å; F1668-I1995 HydrophobicContact CZ-CG2 3.88Å; S1991-I1995 VanDerWaalsContact O-CG1 3.31Å; S1991-I1995 WeakPolarHBondContact O-CG1 3.48Å; S1991-I1995 PolarHBondContact O-N 2.77Å; A1993-I1995 VanDerWaalsContact C-N 3.33Å; A1993-I1995 PolarHBondContact O-N 3.1Å; I1995-K1999 WeakPolarHBondContact O-CB 3.42Å; I1995-K1999 WeakPolarHBondContact O-CG 3.43Å; I1995-K1999 PolarHBondContact O-N 2.77Å
1996R83.9Confident81.3Confident164 Ų16450.9 Ų50.962%0.61927%0.272SS*.Hα-helixtrans-65.9-37.2176.6-173.8-169.664.1-175.3-2.7112.5P1992 A1993 L1994 K1999 H2000P1992-R1996 PolarHBondContact O-N 3.34Å; A1993-R1996 PolarHBondContact O-N 3.46Å; L1994-R1996 VanDerWaalsContact C-N 3.31Å; L1994-R1996 PolarHBondContact O-N 2.9Å; R1996-K1999 PolarHBondContact O-N 3.48Å; R1996-H2000 PolarHBondContact O-N 3.33Å
1997E87.7Confident81.4Confident19 Ų1949.5 Ų49.59%0.08926%0.264CS..Hα-helixtrans-77.9-31.1179.8-76.1164.5-134.200112.2A1993 L1994 H2000 L2001 I2204 K2207 Y2208A1993-E1997 PolarHBondContact O-N 3.11Å; L1994-E1997 CarbonylContact O-C 3.57Å; L1994-E1997 PolarHBondContact O-N 3.3Å; L1994-E1997 VanDerWaalsContact O-N 3.1Å; E1997-H2000 WeakPolarHBondContact O-CB 3.39Å; E1997-H2000 PolarHBondContact O-N 3.17Å; E1997-L2001 PolarHBondContact O-N 3.34Å; E1997-I2204 HydrophobicContact CB-CD1 4.36Å; E1997-I2204 HydrophobicContact CB-CG1 4.14Å; E1997-K2207 IonicContact OE1-NZ 3.16Å; E1997-K2207 PolarHBondContact OE1-NZ 2.83Å; E1997-K2207 IonicContact OE2-NZ 3.82Å; E1997-K2207 PolarHBondContact OE2-NZ 3.08Å; E1997-Y2208 PolarHBondContact OE1-OH 3.45Å
1998L84.2Confident81.6Confident2 Ų249.2 Ų49.21%0.0126%0.262CS..Hα-helixtrans-66.7-42.8165.5-71.4172.9000111.8I1675 I1683 L1994 H2000 L2001 D2002 I2204I1675-L1998 HydrophobicContact CD1-CD1 3.93Å; I1683-L1998 HydrophobicContact CD1-CD2 4.33Å; L1994-L1998 HydrophobicContact CD1-CD1 3.96Å; L1994-L1998 HydrophobicContact CD1-CD2 4.45Å; L1994-L1998 HydrophobicContact CD1-CG 3.85Å; L1994-L1998 HydrophobicContact CD2-CD1 4.36Å; L1994-L1998 HydrophobicContact CG-CD1 3.83Å; L1994-L1998 HydrophobicContact CG-CG 4.18Å; L1994-L1998 WeakPolarHBondContact O-CB 3.34Å; L1994-L1998 WeakPolarHBondContact O-CG 3.36Å; L1994-L1998 PolarHBondContact O-N 3.29Å; L1998-H2000 PolarHBondContact O-N 3.38Å; L1998-L2001 PolarHBondContact O-N 3.02Å; L1998-D2002 WeakPolarHBondContact O-CB 3.45Å; L1998-D2002 VanDerWaalsContact O-CG 3.26Å; L1998-D2002 PolarHBondContact O-N 3.43Å; L1998-I2204 HydrophobicContact CD2-CD1 4.38Å
1999K80.1Confident81.8Confident57 Ų5751.8 Ų51.825%0.24828%0.279CS..Hα-helixtrans-63-30.7172.1-72.9-172.8-171.5-170.10111.9E1662 L1663 I1995 R1996 N2003E1662-K1999 WeakPolarHBondContact O-CE 3.27Å; E1662-K1999 PolarHBondContact O-NZ 3.49Å; L1663-K1999 PolarHBondContact O-NZ 3.5Å; I1995-K1999 WeakPolarHBondContact O-CB 3.42Å; I1995-K1999 WeakPolarHBondContact O-CG 3.43Å; I1995-K1999 PolarHBondContact O-N 2.77Å; R1996-K1999 PolarHBondContact O-N 3.48Å; K1999-N2003 PolarHBondContact O-N 2.81Å; K1999-N2003 PolarHBondContact O-ND2 3.35Å
2000H84.7Confident82.2Confident106 Ų10646.5 Ų46.549%0.49125%0.254SS..Hα-helixtrans-68-49171-179.329.4000111.8R1996 E1997 L1998 D2002 N2003 L2004R1996-H2000 PolarHBondContact O-N 3.33Å; E1997-H2000 WeakPolarHBondContact O-CB 3.39Å; E1997-H2000 PolarHBondContact O-N 3.17Å; L1998-H2000 PolarHBondContact O-N 3.38Å; H2000-D2002 VanDerWaalsContact C-N 3.3Å; H2000-D2002 PolarHBondContact O-N 2.93Å; H2000-N2003 CarbonylContact O-C 3.6Å; H2000-N2003 WeakPolarHBondContact O-CA 3.43Å; H2000-N2003 PolarHBondContact O-N 2.82Å; H2000-L2004 PolarHBondContact O-N 3.34Å
2001L84.2Confident82.8Confident0 Ų046.4 Ų46.40%025%0.251CS..Hα-helixtrans-60.1-37176.3175.563.9000112.7R1763 E1997 L1998 N2003 L2004 R2197 L2201 I2204R1763-L2001 HydrophobicContact CB-CD2 4.44Å; E1997-L2001 PolarHBondContact O-N 3.34Å; L1998-L2001 PolarHBondContact O-N 3.02Å; L2001-N2003 PolarHBondContact O-N 3.42Å; L2001-L2004 HydrophobicContact CD1-CD1 4.4Å; L2001-L2004 PolarHBondContact O-N 2.88Å; L2001-R2197 HydrophobicContact CD1-CB 4.35Å; L2001-R2197 HydrophobicContact CD1-CG 4.41Å; L2001-R2197 PolarHBondContact O-NH1 3.13Å; L2001-L2201 HydrophobicContact CD1-CG 4.06Å; L2001-L2201 HydrophobicContact CD2-CD2 3.64Å; L2001-L2201 HydrophobicContact CD2-CG 3.95Å; L2001-I2204 HydrophobicContact CB-CD1 4.08Å; L2001-I2204 HydrophobicContact CD2-CD1 3.94Å
2002D79.3Confident83.3Confident28 Ų2845.2 Ų45.215%0.1524%0.243CC..Hα-helixtrans-69.1-22.5175.5-73.44.3000112.3R1763 K1768 L1998 H2000R1763-D2002 WeakPolarHBondContact CD-OD1 3.25Å; R1763-D2002 IonicContact CZ-OD1 3.65Å; R1763-D2002 IonicContact CZ-OD2 2.96Å; R1763-D2002 IonicContact NE-OD1 3.62Å; R1763-D2002 PolarHBondContact NE-OD1 2.71Å; R1763-D2002 IonicContact NE-OD2 3.93Å; R1763-D2002 IonicContact NH2-OD1 3.81Å; R1763-D2002 IonicContact NH2-OD2 3.53Å; R1763-D2002 PolarHBondContact NH2-OD2 3.33Å; K1768-D2002 HydrophobicContact CD-CB 4.15Å; K1768-D2002 VanDerWaalsContact CE-OD2 3.26Å; K1768-D2002 WeakPolarHBondContact CE-OD2 3.18Å; K1768-D2002 IonicContact NZ-OD2 2.66Å; K1768-D2002 PolarHBondContact NZ-OD2 3.28Å; L1998-D2002 WeakPolarHBondContact O-CB 3.45Å; L1998-D2002 VanDerWaalsContact O-CG 3.26Å; L1998-D2002 PolarHBondContact O-N 3.43Å; H2000-D2002 VanDerWaalsContact C-N 3.3Å; H2000-D2002 PolarHBondContact O-N 2.93Å
2003N77Confident83.9Confident123 Ų12339.8 Ų39.866%0.65821%0.207SC*.THydrogen-bonded Turntrans-97-1.2174.4-80.9-90.9000113.6K1999 H2000 L2001K1999-N2003 PolarHBondContact O-N 2.81Å; K1999-N2003 PolarHBondContact O-ND2 3.35Å; H2000-N2003 CarbonylContact O-C 3.6Å; H2000-N2003 WeakPolarHBondContact O-CA 3.43Å; H2000-N2003 PolarHBondContact O-N 2.82Å; L2001-N2003 PolarHBondContact O-N 3.42Å
2004L79.3Confident84.3Confident40 Ų4038 Ų3821%0.20919%0.192CC..SBendtrans-80.9121169.1-71.7178.5000109.1H2000 L2001 S2006 R2197 S2200H2000-L2004 PolarHBondContact O-N 3.34Å; L2001-L2004 HydrophobicContact CD1-CD1 4.4Å; L2001-L2004 PolarHBondContact O-N 2.88Å; L2004-S2006 PolarHBondContact O-N 3.15Å; L2004-R2197 HydrophobicContact CB-CG 4.01Å; L2004-R2197 PolarHBondContact O-NH1 3.45Å; L2004-S2200 VanDerWaalsContact CD1-OG 3.24Å; L2004-S2200 WeakPolarHBondContact CD1-OG 3.33Å
2005G71.5Confident84.7Confident45 Ų4538 Ų3846%0.46419%0.192SC..  trans-50.6137-178.500000113P2193 R2197G2005-P2193 WeakPolarHBondContact O-CB 3.47Å; G2005-R2197 WeakPolarHBondContact O-CD 3.22Å
2006S74.9Confident85.3Confident20 Ų2037.9 Ų37.914%0.1419%0.19CC..SBendtrans-82.4-45.1170.137.60000111.5S1766 L2004S1766-S2006 WeakPolarHBondContact O-CB 3.22Å; L2004-S2006 PolarHBondContact O-N 3.15Å
2007R81.3Confident85.6Confident21 Ų2130.1 Ų30.18%0.07916%0.161CC..SBendtrans-94.6155.5-174.6-67.4-170.4-69.7-163.5-3.6112.7T2075 S2076 T2077 E2079R2007-T2075 PolarHBondContact NH1-O 3.09Å; R2007-S2076 WeakPolarHBondContact CD-O 3.45Å; R2007-S2076 WeakPolarHBondContact CG-O 3.4Å; R2007-T2077 CarbonylContact C-O 3.6Å; R2007-T2077 WeakPolarHBondContact CA-O 3.44Å; R2007-T2077 VanDerWaalsContact CB-O 3.25Å; R2007-T2077 WeakPolarHBondContact CB-O 3.14Å; R2007-E2079 HydrophobicContact CB-CG 4.22Å; R2007-E2079 VanDerWaalsContact CZ-CD 3.44Å; R2007-E2079 VanDerWaalsContact CZ-CG 3.48Å; R2007-E2079 IonicContact CZ-OE2 3.47Å; R2007-E2079 VanDerWaalsContact NE-CD 3.33Å; R2007-E2079 VanDerWaalsContact NE-CG 3.3Å; R2007-E2079 IonicContact NE-OE2 2.61Å; R2007-E2079 PolarHBondContact NE-OE2 3.26Å; R2007-E2079 IonicContact NH2-OE1 2.85Å; R2007-E2079 PolarHBondContact NH2-OE1 3.02Å; R2007-E2079 IonicContact NH2-OE2 2.77Å; R2007-E2079 PolarHBondContact NH2-OE2 3.4Å
2008E83.2Confident85.5Confident21 Ų2129.4 Ų29.410%0.09816%0.159CC..EExtended strand (participates in β ladder)trans-68.5138.8167.4-165.6-179.9-176.700109.7H2010 T2077 L2078 E2079 R2181E2008-H2010 IonicContact OE1-CE1 3.72Å; E2008-H2010 PolarHBondContact OE1-CE1 3.3Å; E2008-H2010 VanDerWaalsContact OE1-CE1 3.23Å; E2008-H2010 IonicContact OE1-NE2 2.97Å; E2008-H2010 IonicContact OE2-NE2 2.71Å; E2008-T2077 PolarHBondContact N-O 3Å; E2008-L2078 HydrophobicContact CB-CB 4.16Å; E2008-L2078 CarbonylContact O-C 3.4Å; E2008-L2078 VanDerWaalsContact O-CA 3.27Å; E2008-L2078 WeakPolarHBondContact O-CA 3.23Å; E2008-E2079 PolarHBondContact O-N 3.4Å; E2008-R2181 WeakPolarHBondContact OE1-CG 3.19Å; E2008-R2181 IonicContact OE1-CZ 2.75Å; E2008-R2181 IonicContact OE1-NE 2.65Å; E2008-R2181 PolarHBondContact OE1-NE 3.5Å; E2008-R2181 IonicContact OE2-CZ 3Å; E2008-R2181 VanDerWaalsContact OE2-CZ 3.27Å; E2008-R2181 IonicContact OE2-NE 2.7Å; E2008-R2181 PolarHBondContact OE2-NE 3.01Å; E2008-R2181 IonicContact OE2-NH2 2.65Å; E2008-R2181 PolarHBondContact OE2-NH2 3.42Å
2009T86.8Confident85.4Confident58 Ų5832.4 Ų32.436%0.35618%0.184SC..EExtended strand (participates in β ladder)trans-127.1129-17457.60000112.4F2056 E2079T2009-F2056 HydrophobicContact CG2-CB 4.21Å; T2009-F2056 HydrophobicContact CG2-CD1 4.35Å; T2009-F2056 HydrophobicContact CG2-CD2 3.71Å; T2009-F2056 HydrophobicContact CG2-CE2 4.13Å; T2009-F2056 HydrophobicContact CG2-CG 3.83Å; T2009-E2079 CarbonylContact C-O 3.57Å; T2009-E2079 WeakPolarHBondContact CA-O 3.42Å; T2009-E2079 HydrophobicContact CG2-CB 4.43Å
2010H90.2Very high85Confident1 Ų131.3 Ų31.31%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-124.4134.8179.8-50.9-80000111.6E2008 F2056 E2079 V2080 I2081 S2180E2008-H2010 IonicContact OE1-CE1 3.72Å; E2008-H2010 PolarHBondContact OE1-CE1 3.3Å; E2008-H2010 VanDerWaalsContact OE1-CE1 3.23Å; E2008-H2010 IonicContact OE1-NE2 2.97Å; E2008-H2010 IonicContact OE2-NE2 2.71Å; H2010-F2056 WeakPolarHBondContact O-CE1 3.43Å; H2010-E2079 PolarHBondContact N-O 3.38Å; H2010-V2080 HydrophobicContact CB-CG1 4.37Å; H2010-V2080 HydrophobicContact CB-CG2 4.26Å; H2010-V2080 WeakPolarHBondContact O-CA 3.06Å; H2010-I2081 PolarHBondContact O-N 2.91Å; H2010-S2180 VanDerWaalsContact ND1-CB 3.3Å; H2010-S2180 WeakPolarHBondContact ND1-CB 3.49Å; H2010-S2180 PolarHBondContact ND1-OG 3.46Å
2011K92.1Very high84.8Confident68 Ų6827.8 Ų27.830%0.29617%0.173SC..EExtended strand (participates in β ladder)trans-119124.1172.261.9-171.9-167.781.10109F2056 I2081 N2103 D2104K2011-F2056 HydrophobicContact CB-CE1 4.19Å; K2011-F2056 HydrophobicContact CB-CZ 4.46Å; K2011-I2081 WeakPolarHBondContact CA-O 3.11Å; K2011-I2081 HydrophobicContact CB-CG2 4.3Å; K2011-N2103 PolarHBondContact NZ-O 3.28Å; K2011-D2104 WeakPolarHBondContact CG-OD1 3.28Å; K2011-D2104 IonicContact NZ-OD1 3.2Å; K2011-D2104 PolarHBondContact NZ-OD1 2.61Å
2012L93.9Very high84.5Confident0 Ų030 Ų300%018%0.183CC..EExtended strand (participates in β ladder)trans-129.8122-167.5-54.6175.7000110V2080 I2081 F2082 H2083 I2106 A2176L2012-V2080 HydrophobicContact CD1-CG1 3.51Å; L2012-V2080 HydrophobicContact CG-CG1 4.14Å; L2012-I2081 PolarHBondContact N-O 3.22Å; L2012-I2081 VanDerWaalsContact N-O 3.12Å; L2012-F2082 HydrophobicContact CB-CD1 3.95Å; L2012-F2082 HydrophobicContact CB-CE1 4.27Å; L2012-F2082 HydrophobicContact CD1-CD1 4.07Å; L2012-F2082 HydrophobicContact CD1-CE1 3.54Å; L2012-F2082 HydrophobicContact CD1-CZ 4.14Å; L2012-F2082 CarbonylContact O-C 3.4Å; L2012-F2082 WeakPolarHBondContact O-CA 3.12Å; L2012-H2083 PolarHBondContact O-N 2.81Å; L2012-I2106 HydrophobicContact CD2-CB 3.66Å; L2012-I2106 HydrophobicContact CD2-CG1 3.91Å; L2012-I2106 HydrophobicContact CD2-CG2 4.08Å; L2012-A2176 HydrophobicContact CD1-CB 3.78Å; L2012-A2176 HydrophobicContact CD2-CB 4.27Å
2013A94.1Very high84.4Confident0 Ų032.2 Ų32.20%020%0.195CC..EExtended strand (participates in β ladder)trans-78.5141.9177.800000111.5F2015 L2101 D2104 I2106 M2107 I2108A2013-F2015 HydrophobicContact CB-CD2 4.41Å; A2013-F2015 HydrophobicContact CB-CE2 3.84Å; A2013-L2101 HydrophobicContact CB-CB 4.49Å; A2013-L2101 HydrophobicContact CB-CD2 4.26Å; A2013-D2104 HydrophobicContact CB-CB 3.97Å; A2013-I2106 PolarHBondContact N-O 3.49Å; A2013-I2106 VanDerWaalsContact N-O 3.15Å; A2013-M2107 HydrophobicContact CB-CG 4.23Å; A2013-I2108 PolarHBondContact O-N 2.81Å
2014I94.7Very high84.6Confident0 Ų029.7 Ų29.70%018%0.178CC..EExtended strand (participates in β ladder)trans-123.7115170.1-46.8-168.6000110.5F2037 L2044 F2082 H2083 V2084 S2085 I2108I2014-F2037 HydrophobicContact CG2-CE2 3.67Å; I2014-F2037 HydrophobicContact CG2-CZ 3.88Å; I2014-L2044 HydrophobicContact CD1-CD1 3.32Å; I2014-F2082 HydrophobicContact CD1-CB 3.99Å; I2014-F2082 HydrophobicContact CD1-CD1 3.75Å; I2014-F2082 HydrophobicContact CD1-CG 4.15Å; I2014-F2082 HydrophobicContact CG1-CB 4.32Å; I2014-F2082 HydrophobicContact CG1-CD1 4.18Å; I2014-H2083 PolarHBondContact N-O 3.48Å; I2014-V2084 HydrophobicContact CB-CG2 4.38Å; I2014-V2084 HydrophobicContact CD1-CG2 4.07Å; I2014-V2084 HydrophobicContact CG1-CG2 4.34Å; I2014-S2085 VanDerWaalsContact O-CB 3.24Å; I2014-S2085 WeakPolarHBondContact O-CB 3.49Å; I2014-S2085 PolarHBondContact O-N 3.27Å; I2014-S2085 PolarHBondContact O-OG 2.91Å; I2014-I2108 WeakPolarHBondContact CA-O 3.45Å; I2014-I2108 HydrophobicContact CG1-CB 4.32Å; I2014-I2108 HydrophobicContact CG1-CD1 4.43Å; I2014-I2108 HydrophobicContact CG2-CB 4.47Å; I2014-I2108 HydrophobicContact CG2-CG2 4.42Å
2015F93Very high84.7Confident0 Ų033.3 Ų33.30%019%0.194CC..EExtended strand (participates in β ladder)trans-99.4133.4173.5-65.1-85.7000111A2013 L2028 S2085 L2101 M2107 I2108 I2109 W2110 L2122A2013-F2015 HydrophobicContact CB-CD2 4.41Å; A2013-F2015 HydrophobicContact CB-CE2 3.84Å; F2015-L2028 HydrophobicContact CE1-CD2 4.1Å; F2015-S2085 WeakPolarHBondContact CA-OG 3.5Å; F2015-L2101 HydrophobicContact CD1-CD1 4.48Å; F2015-L2101 HydrophobicContact CE1-CB 3.91Å; F2015-L2101 HydrophobicContact CE1-CD1 3.89Å; F2015-L2101 HydrophobicContact CE1-CG 4.42Å; F2015-L2101 HydrophobicContact CE2-CB 4.43Å; F2015-L2101 HydrophobicContact CZ-CB 3.59Å; F2015-L2101 HydrophobicContact CZ-CD1 4.42Å; F2015-L2101 HydrophobicContact CZ-CG 4.47Å; F2015-M2107 HydrophobicContact CD2-CB 4.48Å; F2015-M2107 HydrophobicContact CE2-CB 4.3Å; F2015-M2107 HydrophobicContact CE2-CG 4.18Å; F2015-M2107 HydrophobicContact CE2-SD 3.82Å; F2015-I2108 PolarHBondContact N-O 2.98Å; F2015-I2109 HydrophobicContact CB-CG1 4.38Å; F2015-I2109 HydrophobicContact CB-CG2 4.37Å; F2015-I2109 HydrophobicContact CD2-CG1 4.28Å; F2015-W2110 PolarHBondContact O-N 3.49Å; F2015-L2122 HydrophobicContact CB-CD1 4.26Å; F2015-L2122 HydrophobicContact CD1-CD1 3.5Å; F2015-L2122 VanDerWaalsContact CD1-CD1 3.5Å; F2015-L2122 HydrophobicContact CD2-CD1 3.94Å; F2015-L2122 HydrophobicContact CE1-CD1 3.68Å; F2015-L2122 HydrophobicContact CE1-CD2 4.39Å; F2015-L2122 HydrophobicContact CE2-CD1 4.11Å; F2015-L2122 HydrophobicContact CG-CD1 3.62Å; F2015-L2122 HydrophobicContact CZ-CD1 3.97Å
2016Y94Very high85.2Confident22 Ų2232.5 Ų32.59%0.08618%0.181CC..EExtended strand (participates in β ladder)trans-101.3127.4164.5176.7-104.4000109.5N2030 A2033 F2037 S2085 W2110 E2112Y2016-N2030 HydrophobicContact CD1-CB 4.49Å; Y2016-N2030 PolarHBondContact O-ND2 3.31Å; Y2016-A2033 HydrophobicContact CD1-CB 3.7Å; Y2016-A2033 HydrophobicContact CD2-CB 3.58Å; Y2016-A2033 HydrophobicContact CE1-CB 3.86Å; Y2016-A2033 HydrophobicContact CE2-CB 3.75Å; Y2016-A2033 HydrophobicContact CG-CB 3.56Å; Y2016-F2037 HydrophobicContact CD2-CB 4Å; Y2016-F2037 HydrophobicContact CD2-CD1 4.34Å; Y2016-F2037 AromaticContact CD2-CD2 3.82Å; Y2016-F2037 HydrophobicContact CD2-CD2 3.82Å; Y2016-F2037 HydrophobicContact CD2-CE2 4.31Å; Y2016-F2037 AromaticContact CD2-CG 3.79Å; Y2016-F2037 HydrophobicContact CD2-CG 3.79Å; Y2016-F2037 HydrophobicContact CE2-CB 4.16Å; Y2016-F2037 HydrophobicContact CE2-CG 4.43Å; Y2016-S2085 PolarHBondContact N-OG 2.84Å; Y2016-W2110 HydrophobicContact CD2-CB 4.42Å; Y2016-W2110 AromaticContact CD2-CD1 3.65Å; Y2016-W2110 HydrophobicContact CD2-CG 4.29Å; Y2016-W2110 AromaticContact CE2-CD1 3.72Å; Y2016-E2112 HydrophobicContact CE2-CG 3.96Å; Y2016-E2112 PolarHBondContact OH-OE2 3.13Å
2017V91.2Very high85.7Confident1 Ų131.5 Ų31.51%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-119.4104.7175.6-1760000107.5Q2021 I2027 I2109 W2110 E2112 N2113 F2117V2017-Q2021 HydrophobicContact CG1-CB 4.07Å; V2017-Q2021 WeakPolarHBondContact CG1-O 3.5Å; V2017-I2027 HydrophobicContact CB-CD1 4.48Å; V2017-I2027 HydrophobicContact CB-CG1 4.47Å; V2017-I2027 HydrophobicContact CG1-CD1 3.91Å; V2017-I2027 HydrophobicContact CG1-CG1 4.05Å; V2017-I2027 HydrophobicContact CG2-CD1 3.88Å; V2017-I2027 HydrophobicContact CG2-CG1 4.12Å; V2017-I2027 HydrophobicContact CG2-CG2 4.05Å; V2017-I2109 HydrophobicContact CG2-CG2 3.98Å; V2017-W2110 WeakPolarHBondContact CB-O 3.44Å; V2017-W2110 PolarHBondContact N-O 2.85Å; V2017-E2112 PolarHBondContact O-N 3.37Å; V2017-N2113 HydrophobicContact CG1-CB 4.01Å; V2017-F2117 HydrophobicContact CG2-CD2 4.18Å
2018G85.9Confident85.9Confident4 Ų430.8 Ų30.84%0.04117%0.172CC..  trans-77.1172.3178.800000113.1G2020 Q2021 N2113G2018-G2020 PolarHBondContact O-N 3.17Å; G2018-Q2021 WeakPolarHBondContact O-CB 3.26Å; G2018-Q2021 PolarHBondContact O-N 3.48Å; G2018-N2113 WeakPolarHBondContact O-CB 3.4Å
2019A80.8Confident85.9Confident66 Ų6632.7 Ų32.755%0.54519%0.188SC..THydrogen-bonded Turntrans-55.4134.317800000112.1Q2021A2019-Q2021 VanDerWaalsContact C-N 3.25Å; A2019-Q2021 PolarHBondContact O-N 3.27Å
2020G72.4Confident85.8Confident33 Ų3330.8 Ų30.834%0.3418%0.175SC..THydrogen-bonded Turntrans76.2-4.6-179.100000116.1G2018 E2022 N2113G2018-G2020 PolarHBondContact O-N 3.17Å; G2020-E2022 PolarHBondContact O-N 2.89Å; G2020-N2113 WeakPolarHBondContact CA-OD1 3.44Å; G2020-N2113 PolarHBondContact N-OD1 3.05Å
2021Q81.5Confident85.5Confident32 Ų3235.1 Ų35.115%0.1520%0.196CC..  trans-82.1102.3-176.2-62.5-173.6-17.200112.3V2017 G2018 A2019 I2027 N2030 N2113V2017-Q2021 HydrophobicContact CG1-CB 4.07Å; V2017-Q2021 WeakPolarHBondContact CG1-O 3.5Å; G2018-Q2021 WeakPolarHBondContact O-CB 3.26Å; G2018-Q2021 PolarHBondContact O-N 3.48Å; A2019-Q2021 VanDerWaalsContact C-N 3.25Å; A2019-Q2021 PolarHBondContact O-N 3.27Å; Q2021-I2027 HydrophobicContact CB-CG1 3.92Å; Q2021-N2030 PolarHBondContact NE2-OD1 3.34Å; Q2021-N2030 PolarHBondContact OE1-ND2 2.88Å; Q2021-N2113 VanDerWaalsContact C-ND2 3.29Å; Q2021-N2113 PolarHBondContact N-ND2 3.4Å; Q2021-N2113 PolarHBondContact O-ND2 3.47Å
2022E76.6Confident85Confident47 Ų4737.3 Ų37.322%0.2221%0.214CC..  trans-110-12.9-179.5-79.1-161.1-139.500115G2020 R2115 R2118 I2121G2020-E2022 PolarHBondContact O-N 2.89Å; E2022-R2115 WeakPolarHBondContact OE1-CD 3.18Å; E2022-R2115 IonicContact OE1-NE 2.62Å; E2022-R2115 PolarHBondContact OE1-NE 3.43Å; E2022-R2118 IonicContact OE2-CZ 3.88Å; E2022-R2118 IonicContact OE2-NH1 3.51Å; E2022-R2118 PolarHBondContact OE2-NH1 3.35Å; E2022-R2118 IonicContact OE2-NH2 3.17Å; E2022-R2118 PolarHBondContact OE2-NH2 2.99Å; E2022-I2121 WeakPolarHBondContact O-CD1 3.45Å; E2022-I2121 WeakPolarHBondContact O-CG1 3.43Å
2023D77.8Confident84.7Confident75 Ų7538.5 Ų38.540%0.40123%0.225SC..SBendtrans-107.8163.2-176.875.6-78000112.7Q2025 S2026 I2027D2023-Q2025 VanDerWaalsContact C-N 3.33Å; D2023-Q2025 PolarHBondContact O-N 2.93Å; D2023-Q2025 VanDerWaalsContact OD2-CA 3.29Å; D2023-Q2025 WeakPolarHBondContact OD2-CA 3.25Å; D2023-Q2025 VanDerWaalsContact OD2-CB 3.23Å; D2023-Q2025 WeakPolarHBondContact OD2-CB 3.44Å; D2023-Q2025 PolarHBondContact OD2-N 3.32Å; D2023-S2026 VanDerWaalsContact CG-OG 3.29Å; D2023-S2026 PolarHBondContact O-OG 3.28Å; D2023-S2026 VanDerWaalsContact OD1-CB 3.24Å; D2023-S2026 WeakPolarHBondContact OD1-CB 3.43Å; D2023-S2026 PolarHBondContact OD1-OG 2.88Å; D2023-S2026 PolarHBondContact OD2-N 2.9Å; D2023-I2027 VanDerWaalsContact O-CD1 3.32Å; D2023-I2027 WeakPolarHBondContact O-CD1 3.32Å; D2023-I2027 VanDerWaalsContact O-CG1 3.3Å; D2023-I2027 WeakPolarHBondContact O-CG1 3.45Å
2024K82Confident84.5Confident70 Ų7039.1 Ų39.130%0.30423%0.229SC..Hα-helixtrans-68.5-31.2-178.5177.9179.6176.3-164.20112.7L2028 I2121 L2122K2024-L2028 HydrophobicContact CD-CD1 4.32Å; K2024-L2028 VanDerWaalsContact CE-CD1 3.45Å; K2024-L2028 HydrophobicContact CG-CD1 3.82Å; K2024-L2028 HydrophobicContact CG-CG 4.39Å; K2024-L2028 WeakPolarHBondContact O-CB 3.47Å; K2024-L2028 VanDerWaalsContact O-CG 3.31Å; K2024-L2028 WeakPolarHBondContact O-CG 3.42Å; K2024-L2028 PolarHBondContact O-N 2.88Å; K2024-L2028 VanDerWaalsContact O-N 3.16Å; K2024-I2121 HydrophobicContact CB-CG2 4.49Å; K2024-L2122 HydrophobicContact CG-CD2 4.09Å
2025Q80Confident84.2Confident116 Ų11643.4 Ų43.454%0.54225%0.251SS..Hα-helixtrans-77.9-45.9-169.8-163.517121.100110.8D2023 L2028 S2029 E2094D2023-Q2025 VanDerWaalsContact C-N 3.33Å; D2023-Q2025 PolarHBondContact O-N 2.93Å; D2023-Q2025 VanDerWaalsContact OD2-CA 3.29Å; D2023-Q2025 WeakPolarHBondContact OD2-CA 3.25Å; D2023-Q2025 VanDerWaalsContact OD2-CB 3.23Å; D2023-Q2025 WeakPolarHBondContact OD2-CB 3.44Å; D2023-Q2025 PolarHBondContact OD2-N 3.32Å; Q2025-L2028 PolarHBondContact O-N 3.06Å; Q2025-S2029 WeakPolarHBondContact O-CB 3.2Å; Q2025-S2029 PolarHBondContact O-N 3.01Å; Q2025-E2094 WeakPolarHBondContact CG-OE1 3.37Å; Q2025-E2094 PolarHBondContact NE2-OE1 2.69Å
2026S82.2Confident84Confident27 Ų2746.9 Ų46.919%0.18927%0.267CS..Hα-helixtrans-58.8-49.8173.760.40000111.9D2023 L2028 S2029 N2030D2023-S2026 VanDerWaalsContact CG-OG 3.29Å; D2023-S2026 PolarHBondContact O-OG 3.28Å; D2023-S2026 VanDerWaalsContact OD1-CB 3.24Å; D2023-S2026 WeakPolarHBondContact OD1-CB 3.43Å; D2023-S2026 PolarHBondContact OD1-OG 2.88Å; D2023-S2026 PolarHBondContact OD2-N 2.9Å; S2026-L2028 VanDerWaalsContact C-N 3.3Å; S2026-L2028 PolarHBondContact O-N 3.47Å; S2026-S2029 WeakPolarHBondContact O-CB 3.15Å; S2026-S2029 PolarHBondContact O-N 3.32Å; S2026-S2029 PolarHBondContact O-OG 3.14Å; S2026-N2030 PolarHBondContact O-N 3.21Å
2027I85Confident84Confident0 Ų045.8 Ų45.80%026%0.263CS..Hα-helixtrans-57.8-40.6178.6-66.5171.7000111.9V2017 Q2021 D2023 N2030 I2121 L2122V2017-I2027 HydrophobicContact CB-CD1 4.48Å; V2017-I2027 HydrophobicContact CB-CG1 4.47Å; V2017-I2027 HydrophobicContact CG1-CD1 3.91Å; V2017-I2027 HydrophobicContact CG1-CG1 4.05Å; V2017-I2027 HydrophobicContact CG2-CD1 3.88Å; V2017-I2027 HydrophobicContact CG2-CG1 4.12Å; V2017-I2027 HydrophobicContact CG2-CG2 4.05Å; Q2021-I2027 HydrophobicContact CB-CG1 3.92Å; D2023-I2027 VanDerWaalsContact O-CD1 3.32Å; D2023-I2027 WeakPolarHBondContact O-CD1 3.32Å; D2023-I2027 VanDerWaalsContact O-CG1 3.3Å; D2023-I2027 WeakPolarHBondContact O-CG1 3.45Å; I2027-N2030 PolarHBondContact O-ND2 2.96Å; I2027-I2121 HydrophobicContact CD1-CG2 3.79Å; I2027-L2122 HydrophobicContact CG2-CD2 4.42Å
2028L85.9Confident84Confident5 Ų547.8 Ų47.83%0.02627%0.273CS..Hα-helixtrans-78.9-22.1177-69.9179.2000113.8F2015 K2024 Q2025 S2026 N2030 S2090 K2097 Y2098 L2101F2015-L2028 HydrophobicContact CE1-CD2 4.1Å; K2024-L2028 HydrophobicContact CD-CD1 4.32Å; K2024-L2028 VanDerWaalsContact CE-CD1 3.45Å; K2024-L2028 HydrophobicContact CG-CD1 3.82Å; K2024-L2028 HydrophobicContact CG-CG 4.39Å; K2024-L2028 WeakPolarHBondContact O-CB 3.47Å; K2024-L2028 VanDerWaalsContact O-CG 3.31Å; K2024-L2028 WeakPolarHBondContact O-CG 3.42Å; K2024-L2028 PolarHBondContact O-N 2.88Å; K2024-L2028 VanDerWaalsContact O-N 3.16Å; Q2025-L2028 PolarHBondContact O-N 3.06Å; S2026-L2028 VanDerWaalsContact C-N 3.3Å; S2026-L2028 PolarHBondContact O-N 3.47Å; L2028-N2030 VanDerWaalsContact C-N 3.27Å; L2028-N2030 PolarHBondContact O-N 3.2Å; L2028-S2090 PolarHBondContact O-OG 2.85Å; L2028-K2097 HydrophobicContact CD2-CG 4.49Å; L2028-K2097 WeakPolarHBondContact O-CD 3.42Å; L2028-K2097 WeakPolarHBondContact O-CE 3.49Å; L2028-K2097 PolarHBondContact O-NZ 2.98Å; L2028-Y2098 HydrophobicContact CD1-CD2 3.88Å; L2028-Y2098 HydrophobicContact CD1-CG 4.28Å; L2028-Y2098 HydrophobicContact CD2-CD2 4.26Å; L2028-L2101 HydrophobicContact CD2-CD1 4.13Å
2029S83.2Confident84.2Confident62 Ų6251.8 Ų51.843%0.43429%0.293SS..Hα-helixtrans-68-27.9178.178.50000112.9Q2025 S2026 Q2031 S2090Q2025-S2029 WeakPolarHBondContact O-CB 3.2Å; Q2025-S2029 PolarHBondContact O-N 3.01Å; S2026-S2029 WeakPolarHBondContact O-CB 3.15Å; S2026-S2029 PolarHBondContact O-N 3.32Å; S2026-S2029 PolarHBondContact O-OG 3.14Å; S2029-Q2031 PolarHBondContact O-N 3.48Å; S2029-S2090 PolarHBondContact O-OG 3.35Å
2030N86.2Confident84.9Confident18 Ų1849 Ų4910%0.09627%0.268CS..  trans-46.4129-176.7-70.1-28.6000113.2Y2016 Q2021 S2026 I2027 L2028 T2086 K2097Y2016-N2030 HydrophobicContact CD1-CB 4.49Å; Y2016-N2030 PolarHBondContact O-ND2 3.31Å; Q2021-N2030 PolarHBondContact NE2-OD1 3.34Å; Q2021-N2030 PolarHBondContact OE1-ND2 2.88Å; S2026-N2030 PolarHBondContact O-N 3.21Å; I2027-N2030 PolarHBondContact O-ND2 2.96Å; L2028-N2030 VanDerWaalsContact C-N 3.27Å; L2028-N2030 PolarHBondContact O-N 3.2Å; N2030-T2086 HydrophobicContact CB-CG2 4.44Å; N2030-K2097 PolarHBondContact O-NZ 2.91Å
2031Q82.9Confident85.9Confident92 Ų9247.4 Ų47.443%0.4325%0.252SS..  trans-120.2-17.6174.2-61.3-66.2-108.800112.7S2029 M2088 S2090S2029-Q2031 PolarHBondContact O-N 3.48Å; Q2031-M2088 PolarHBondContact NE2-O 2.73Å; Q2031-S2090 PolarHBondContact NE2-OG 3.18Å; Q2031-S2090 VanDerWaalsContact NE2-OG 3.15Å; Q2031-S2090 VanDerWaalsContact OE1-N 3.07Å
2032T81.6Confident86.2Confident113 Ų11349.4 Ų49.469%0.69327%0.274SS*.  trans-127.5166.2173.649.30000109.1
2033A88.5Confident86.8Confident26 Ų2648.6 Ų48.622%0.21528%0.279CS..  trans-147.7178.7175.500000110.1Y2016 F2037 T2086Y2016-A2033 HydrophobicContact CD1-CB 3.7Å; Y2016-A2033 HydrophobicContact CD2-CB 3.58Å; Y2016-A2033 HydrophobicContact CE1-CB 3.86Å; Y2016-A2033 HydrophobicContact CE2-CB 3.75Å; Y2016-A2033 HydrophobicContact CG-CB 3.56Å; A2033-F2037 HydrophobicContact CB-CB 4.08Å; A2033-F2037 HydrophobicContact CB-CD1 3.24Å; A2033-F2037 HydrophobicContact CB-CE1 3.8Å; A2033-F2037 HydrophobicContact CB-CG 3.83Å; A2033-T2086 HydrophobicContact CB-CG2 3.86Å
2034S90.1Very high87.4Confident12 Ų1245 Ų458%0.08426%0.26CS..  trans-67159.5178.962.60000114.1E2036 F2037 E2038 E2112S2034-E2036 VanDerWaalsContact C-N 3.26Å; S2034-E2036 WeakPolarHBondContact CB-OE2 3.37Å; S2034-E2036 PolarHBondContact O-N 3.47Å; S2034-F2037 PolarHBondContact O-N 2.85Å; S2034-F2037 WeakPolarHBondContact OG-CB 2.99Å; S2034-F2037 PolarHBondContact OG-N 3.28Å; S2034-E2038 WeakPolarHBondContact O-CG 3.34Å; S2034-E2038 PolarHBondContact O-N 2.68Å; S2034-E2112 VanDerWaalsContact CB-OE1 3.24Å; S2034-E2112 WeakPolarHBondContact CB-OE1 3.27Å; S2034-E2112 VanDerWaalsContact CB-OE2 3.31Å; S2034-E2112 WeakPolarHBondContact CB-OE2 3.32Å; S2034-E2112 VanDerWaalsContact OG-CD 3.27Å; S2034-E2112 PolarHBondContact OG-OE1 3.18Å; S2034-E2112 PolarHBondContact OG-OE2 3.01Å
2035L88.1Confident87.7Confident90 Ų9042.3 Ų42.347%0.47125%0.251SS..Hα-helixtrans-60.9-36.3174.1179.559.2000111.8P1822 E2038 N2039P1822-L2035 HydrophobicContact CB-CD1 4.39Å; P1822-L2035 HydrophobicContact CG-CD1 3.74Å; L2035-E2038 PolarHBondContact O-N 2.88Å; L2035-N2039 VanDerWaalsContact O-CB 3.29Å; L2035-N2039 WeakPolarHBondContact O-CB 3.33Å; L2035-N2039 PolarHBondContact O-N 3Å; L2035-N2039 PolarHBondContact O-ND2 3.05Å
2036E88.1Confident87.9Confident73 Ų7339.3 Ų39.334%0.34124%0.235SC..Hα-helixtrans-66.9-41.2178.1-58.973.8-152.400111.6K1022 S2034 F2040 W2110 F2141K1022-E2036 IonicContact NZ-OE2 3.27Å; K1022-E2036 PolarHBondContact NZ-OE2 3.1Å; S2034-E2036 VanDerWaalsContact C-N 3.26Å; S2034-E2036 WeakPolarHBondContact CB-OE2 3.37Å; S2034-E2036 PolarHBondContact O-N 3.47Å; E2036-F2040 WeakPolarHBondContact O-CB 3.41Å; E2036-F2040 PolarHBondContact O-N 3.5Å; E2036-W2110 HydrophobicContact CB-CH2 4.15Å; E2036-W2110 HydrophobicContact CB-CZ2 3.62Å; E2036-F2141 HydrophobicContact CB-CE1 4.5Å
2037F93.5Very high88Confident0 Ų042 Ų420%025%0.245CC..Hα-helixtrans-63.3-48.4173.4174-95.7000111.7I2014 Y2016 A2033 S2034 N2039 F2040 V2041 V2084 T2086 W2110I2014-F2037 HydrophobicContact CG2-CE2 3.67Å; I2014-F2037 HydrophobicContact CG2-CZ 3.88Å; Y2016-F2037 HydrophobicContact CD2-CB 4Å; Y2016-F2037 HydrophobicContact CD2-CD1 4.34Å; Y2016-F2037 AromaticContact CD2-CD2 3.82Å; Y2016-F2037 HydrophobicContact CD2-CD2 3.82Å; Y2016-F2037 HydrophobicContact CD2-CE2 4.31Å; Y2016-F2037 AromaticContact CD2-CG 3.79Å; Y2016-F2037 HydrophobicContact CD2-CG 3.79Å; Y2016-F2037 HydrophobicContact CE2-CB 4.16Å; Y2016-F2037 HydrophobicContact CE2-CG 4.43Å; A2033-F2037 HydrophobicContact CB-CB 4.08Å; A2033-F2037 HydrophobicContact CB-CD1 3.24Å; A2033-F2037 HydrophobicContact CB-CE1 3.8Å; A2033-F2037 HydrophobicContact CB-CG 3.83Å; S2034-F2037 PolarHBondContact O-N 2.85Å; S2034-F2037 WeakPolarHBondContact OG-CB 2.99Å; S2034-F2037 PolarHBondContact OG-N 3.28Å; F2037-N2039 VanDerWaalsContact C-N 3.33Å; F2037-N2039 PolarHBondContact O-N 3.39Å; F2037-F2040 WeakPolarHBondContact O-CB 3.35Å; F2037-F2040 PolarHBondContact O-N 3.45Å; F2037-F2040 VanDerWaalsContact O-N 3.17Å; F2037-V2041 HydrophobicContact CD1-CG2 4Å; F2037-V2041 HydrophobicContact CD2-CG2 4.27Å; F2037-V2041 HydrophobicContact CE1-CG2 3.64Å; F2037-V2041 HydrophobicContact CE2-CG2 3.94Å; F2037-V2041 HydrophobicContact CG-CG2 4.34Å; F2037-V2041 HydrophobicContact CZ-CG2 3.62Å; F2037-V2041 WeakPolarHBondContact O-CB 3.39Å; F2037-V2041 VanDerWaalsContact O-CG2 3.32Å; F2037-V2041 WeakPolarHBondContact O-CG2 3.43Å; F2037-V2041 PolarHBondContact O-N 3.08Å; F2037-V2084 HydrophobicContact CE1-CG1 4.31Å; F2037-V2084 HydrophobicContact CZ-CG1 4.09Å; F2037-T2086 HydrophobicContact CE1-CG2 4.27Å; F2037-W2110 HydrophobicContact CB-CD2 4.16Å; F2037-W2110 HydrophobicContact CB-CG 4.24Å; F2037-W2110 HydrophobicContact CD2-CB 3.49Å; F2037-W2110 VanDerWaalsContact CD2-CB 3.49Å; F2037-W2110 AromaticContact CD2-CD2 3.88Å; F2037-W2110 HydrophobicContact CD2-CD2 3.88Å; F2037-W2110 HydrophobicContact CD2-CE3 4.31Å; F2037-W2110 AromaticContact CD2-CG 3.52Å; F2037-W2110 HydrophobicContact CD2-CG 3.52Å; F2037-W2110 HydrophobicContact CE2-CB 3.84Å; F2037-W2110 HydrophobicContact CE2-CG 4.36Å; F2037-W2110 HydrophobicContact CG-CG 4.35Å
2038E92.3Very high87.9Confident43 Ų4342.4 Ų42.420%0.20125%0.247CC..Hα-helixtrans-65.5-36.2-178.5-69.1-66.3159.300111.7S2034 L2035 V2041 A2042 R2087S2034-E2038 WeakPolarHBondContact O-CG 3.34Å; S2034-E2038 PolarHBondContact O-N 2.68Å; L2035-E2038 PolarHBondContact O-N 2.88Å; E2038-V2041 PolarHBondContact O-N 3.35Å; E2038-A2042 WeakPolarHBondContact O-CB 3.24Å; E2038-A2042 PolarHBondContact O-N 2.99Å; E2038-R2087 VanDerWaalsContact CD-NH1 3.3Å; E2038-R2087 IonicContact OE1-CZ 3.58Å; E2038-R2087 IonicContact OE1-NH1 2.81Å; E2038-R2087 PolarHBondContact OE1-NH1 3.48Å; E2038-R2087 IonicContact OE2-CZ 3.5Å; E2038-R2087 VanDerWaalsContact OE2-CZ 3.27Å; E2038-R2087 IonicContact OE2-NH1 3.62Å; E2038-R2087 PolarHBondContact OE2-NH1 3.09Å; E2038-R2087 IonicContact OE2-NH2 2.7Å; E2038-R2087 PolarHBondContact OE2-NH2 2.59Å
2039N89.9Confident87.8Confident88 Ų8844.7 Ų44.747%0.47126%0.259SS..Hα-helixtrans-64.8-41.2171.1-72.9-21.8000112.3L2035 F2037 G2043L2035-N2039 VanDerWaalsContact O-CB 3.29Å; L2035-N2039 WeakPolarHBondContact O-CB 3.33Å; L2035-N2039 PolarHBondContact O-N 3Å; L2035-N2039 PolarHBondContact O-ND2 3.05Å; F2037-N2039 VanDerWaalsContact C-N 3.33Å; F2037-N2039 PolarHBondContact O-N 3.39Å; N2039-G2043 PolarHBondContact O-N 3.08Å
2040F94.4Very high87.7Confident6 Ų642 Ų423%0.02624%0.24CC..Hα-helixtrans-63.3-46.4174.7162.4-103.8000111.6E2036 F2037 A2042 G2043 L2044 I2108 W2110 I2133 L2168 P2169 V2172E2036-F2040 WeakPolarHBondContact O-CB 3.41Å; E2036-F2040 PolarHBondContact O-N 3.5Å; F2037-F2040 WeakPolarHBondContact O-CB 3.35Å; F2037-F2040 PolarHBondContact O-N 3.45Å; F2037-F2040 VanDerWaalsContact O-N 3.17Å; F2040-A2042 PolarHBondContact O-N 2.9Å; F2040-G2043 PolarHBondContact O-N 3.2Å; F2040-L2044 HydrophobicContact CD1-CD1 4.37Å; F2040-L2044 HydrophobicContact CE1-CD1 3.69Å; F2040-L2044 HydrophobicContact CE1-CG 4.31Å; F2040-L2044 HydrophobicContact CE2-CD1 4.41Å; F2040-L2044 HydrophobicContact CE2-CD2 4Å; F2040-L2044 HydrophobicContact CE2-CG 4.21Å; F2040-L2044 HydrophobicContact CZ-CD1 3.7Å; F2040-L2044 HydrophobicContact CZ-CD2 3.91Å; F2040-L2044 HydrophobicContact CZ-CG 3.99Å; F2040-L2044 PolarHBondContact O-N 3.13Å; F2040-I2108 HydrophobicContact CE1-CG2 4.1Å; F2040-I2108 HydrophobicContact CZ-CG2 4.06Å; F2040-W2110 HydrophobicContact CB-CE3 4.27Å; F2040-W2110 HydrophobicContact CB-CH2 4Å; F2040-W2110 HydrophobicContact CB-CZ3 3.51Å; F2040-W2110 AromaticContact CD1-CE3 3.71Å; F2040-W2110 HydrophobicContact CD1-CE3 3.71Å; F2040-W2110 AromaticContact CD1-CZ3 3.75Å; F2040-W2110 HydrophobicContact CD1-CZ3 3.75Å; F2040-W2110 HydrophobicContact CD2-CZ3 4.12Å; F2040-W2110 HydrophobicContact CE1-CE3 4.25Å; F2040-W2110 AromaticContact CG-CE3 4Å; F2040-W2110 HydrophobicContact CG-CE3 4Å; F2040-W2110 HydrophobicContact CG-CH2 4.46Å; F2040-W2110 AromaticContact CG-CZ3 3.52Å; F2040-W2110 HydrophobicContact CG-CZ3 3.52Å; F2040-I2133 HydrophobicContact CD2-CD1 4.38Å; F2040-I2133 HydrophobicContact CE1-CD1 3.84Å; F2040-I2133 HydrophobicContact CE2-CD1 3.61Å; F2040-I2133 HydrophobicContact CZ-CD1 3.29Å; F2040-L2168 HydrophobicContact CD2-CD2 3.83Å; F2040-L2168 HydrophobicContact CD2-CG 3.88Å; F2040-L2168 HydrophobicContact CE2-CD2 4.37Å; F2040-L2168 HydrophobicContact CE2-CG 4.05Å; F2040-P2169 HydrophobicContact CD2-CB 4.31Å; F2040-P2169 HydrophobicContact CD2-CG 4.1Å; F2040-V2172 HydrophobicContact CE2-CB 4.16Å; F2040-V2172 HydrophobicContact CE2-CG1 4.27Å; F2040-V2172 HydrophobicContact CE2-CG2 4.24Å; F2040-V2172 HydrophobicContact CZ-CB 4.41Å; F2040-V2172 HydrophobicContact CZ-CG1 4Å
2041V93.1Very high87.3Confident1 Ų146 Ų461%0.00626%0.26CS..Hα-helixtrans-60.4-42.9177.5167.90000111.2F2037 E2038 G2043 L2044 P2071 V2084F2037-V2041 HydrophobicContact CD1-CG2 4Å; F2037-V2041 HydrophobicContact CD2-CG2 4.27Å; F2037-V2041 HydrophobicContact CE1-CG2 3.64Å; F2037-V2041 HydrophobicContact CE2-CG2 3.94Å; F2037-V2041 HydrophobicContact CG-CG2 4.34Å; F2037-V2041 HydrophobicContact CZ-CG2 3.62Å; F2037-V2041 WeakPolarHBondContact O-CB 3.39Å; F2037-V2041 VanDerWaalsContact O-CG2 3.32Å; F2037-V2041 WeakPolarHBondContact O-CG2 3.43Å; F2037-V2041 PolarHBondContact O-N 3.08Å; E2038-V2041 PolarHBondContact O-N 3.35Å; V2041-G2043 PolarHBondContact O-N 3.31Å; V2041-L2044 PolarHBondContact O-N 2.8Å; V2041-L2044 VanDerWaalsContact O-N 3.16Å; V2041-P2071 HydrophobicContact CG1-CG 3.5Å; V2041-P2071 VanDerWaalsContact CG1-CG 3.5Å; V2041-V2084 HydrophobicContact CG1-CG2 4.5Å
2042A88.9Confident86.9Confident73 Ų7348.3 Ų48.360%0.60327%0.269SS*.Hα-helixtrans-65.8-19.3174.700000114.1E2038 F2040E2038-A2042 WeakPolarHBondContact O-CB 3.24Å; E2038-A2042 PolarHBondContact O-N 2.99Å; F2040-A2042 PolarHBondContact O-N 2.9Å
2043G89.4Confident86.8Confident31 Ų3144 Ų4432%0.3224%0.241SC..Hα-helixtrans-86.6-18.117300000114.7N2039 F2040 V2041 P2169 R2173N2039-G2043 PolarHBondContact O-N 3.08Å; F2040-G2043 PolarHBondContact O-N 3.2Å; V2041-G2043 PolarHBondContact O-N 3.31Å; G2043-P2169 WeakPolarHBondContact O-CB 3.08Å; G2043-R2173 PolarHBondContact O-NH1 2.98Å
2044L91.2Very high85.9Confident0 Ų048.3 Ų48.30%026%0.255CS..Hα-helixtrans-74.5-24.5-178.4-74.2177.6000113.4I2014 F2040 V2041 F2082 I2108 P2169 V2172 R2173I2014-L2044 HydrophobicContact CD1-CD1 3.32Å; F2040-L2044 HydrophobicContact CD1-CD1 4.37Å; F2040-L2044 HydrophobicContact CE1-CD1 3.69Å; F2040-L2044 HydrophobicContact CE1-CG 4.31Å; F2040-L2044 HydrophobicContact CE2-CD1 4.41Å; F2040-L2044 HydrophobicContact CE2-CD2 4Å; F2040-L2044 HydrophobicContact CE2-CG 4.21Å; F2040-L2044 HydrophobicContact CZ-CD1 3.7Å; F2040-L2044 HydrophobicContact CZ-CD2 3.91Å; F2040-L2044 HydrophobicContact CZ-CG 3.99Å; F2040-L2044 PolarHBondContact O-N 3.13Å; V2041-L2044 PolarHBondContact O-N 2.8Å; V2041-L2044 VanDerWaalsContact O-N 3.16Å; L2044-F2082 HydrophobicContact CB-CE1 4.24Å; L2044-F2082 HydrophobicContact CB-CE2 4.03Å; L2044-F2082 HydrophobicContact CB-CZ 3.88Å; L2044-F2082 HydrophobicContact CD1-CD1 4.15Å; L2044-F2082 HydrophobicContact CD1-CE1 3.99Å; L2044-F2082 HydrophobicContact CD1-CZ 4.46Å; L2044-F2082 HydrophobicContact CD2-CE1 4.33Å; L2044-F2082 HydrophobicContact CD2-CZ 4.35Å; L2044-F2082 HydrophobicContact CG-CE1 4.45Å; L2044-F2082 HydrophobicContact CG-CZ 4.48Å; L2044-F2082 WeakPolarHBondContact O-CE2 3.21Å; L2044-I2108 HydrophobicContact CD1-CD1 4.47Å; L2044-P2169 HydrophobicContact CD2-CB 4.32Å; L2044-P2169 WeakPolarHBondContact CD2-O 3.26Å; L2044-V2172 HydrophobicContact CD2-CG1 4.45Å; L2044-R2173 HydrophobicContact CD2-CB 4.25Å; L2044-R2173 PolarHBondContact O-NH1 3.13Å
2045G87.3Confident85.1Confident12 Ų1248.6 Ų48.612%0.12426%0.26CS..SBendtrans176.8-179-179.500000111Y2072G2045-Y2072 CarbonylContact C-O 3.56Å; G2045-Y2072 VanDerWaalsContact CA-O 3.27Å; G2045-Y2072 WeakPolarHBondContact CA-O 3.38Å
2046W83.8Confident84.7Confident54 Ų5446.8 Ų46.821%0.20525%0.249CC..EExtended strand (participates in β ladder)trans-86.7138.9175.255.785000110.7P1858 E1859 V2048 P2071 Y2072 Y2073 A2074P1858-W2046 HydrophobicContact CB-CB 4.09Å; P1858-W2046 VanDerWaalsContact CB-CD1 3.44Å; P1858-W2046 HydrophobicContact CB-CD2 4.06Å; P1858-W2046 HydrophobicContact CB-CG 3.63Å; P1858-W2046 VanDerWaalsContact CG-CD1 3.41Å; P1858-W2046 HydrophobicContact CG-CG 4.12Å; E1859-W2046 HydrophobicContact CB-CH2 3.88Å; E1859-W2046 HydrophobicContact CB-CZ2 4.22Å; E1859-W2046 WeakPolarHBondContact OE2-CZ2 3.12Å; W2046-V2048 PolarHBondContact O-N 2.94Å; W2046-P2071 WeakPolarHBondContact O-CA 3.38Å; W2046-Y2072 AromaticContact CE2-CD1 3.63Å; W2046-Y2072 AromaticContact CZ2-CD1 3.71Å; W2046-Y2072 HydrophobicContact CZ2-CD1 3.71Å; W2046-Y2072 AromaticContact CZ2-CE1 3.73Å; W2046-Y2072 HydrophobicContact CZ2-CE1 3.73Å; W2046-Y2072 PolarHBondContact N-O 2.77Å; W2046-Y2072 AromaticContact NE1-CD1 3.46Å; W2046-Y2072 PolarHBondContact O-N 3.09Å; W2046-Y2073 HydrophobicContact CZ3-CD2 4.05Å; W2046-A2074 HydrophobicContact CH2-CB 4.16Å; W2046-A2074 VanDerWaalsContact CH2-N 3.26Å; W2046-A2074 HydrophobicContact CZ2-CB 4.28Å
2047E85.8Confident84.4Confident84 Ų8447.9 Ų47.939%0.39325%0.25SC..EExtended strand (participates in β ladder)trans-73.5119.8-179.8-172.580.3162.600110S2069 P2071 R2087E2047-S2069 WeakPolarHBondContact OE1-CB 3.35Å; E2047-S2069 PolarHBondContact OE1-OG 2.8Å; E2047-P2071 WeakPolarHBondContact OE2-CD 3.46Å; E2047-P2071 VanDerWaalsContact OE2-N 3.14Å; E2047-R2087 IonicContact OE1-CZ 2.84Å; E2047-R2087 IonicContact OE1-NE 2.73Å; E2047-R2087 PolarHBondContact OE1-NE 2.99Å; E2047-R2087 IonicContact OE1-NH2 3.58Å
2048V81.9Confident83.8Confident8 Ų848.5 Ų48.55%0.04826%0.256CS..EExtended strand (participates in β ladder)trans-110.5140.8-179.9-630000112.3W2046 L2050 H2053 S2069 T2070 Y2072W2046-V2048 PolarHBondContact O-N 2.94Å; V2048-L2050 PolarHBondContact O-N 3.23Å; V2048-H2053 HydrophobicContact CB-CB 4.17Å; V2048-H2053 HydrophobicContact CG2-CB 4.19Å; V2048-S2069 WeakPolarHBondContact O-CA 3.29Å; V2048-S2069 WeakPolarHBondContact O-CB 3.44Å; V2048-T2070 WeakPolarHBondContact CG2-O 3.49Å; V2048-T2070 PolarHBondContact N-O 3.17Å; V2048-T2070 PolarHBondContact O-N 2.8Å; V2048-T2070 VanDerWaalsContact O-N 3.11Å; V2048-Y2072 HydrophobicContact CG1-CG 4.45Å; V2048-Y2072 HydrophobicContact CG2-CG 4.47Å
2049D83.6Confident83.3Confident52 Ų5249.2 Ų49.228%0.27827%0.274SS..EExtended strand (participates in β ladder)trans-74.2115.8170.9174.7-19.7000110.3L2051 K2052 H2053D2049-L2051 PolarHBondContact O-N 2.96Å; D2049-L2051 WeakPolarHBondContact OD1-CA 3.44Å; D2049-L2051 VanDerWaalsContact OD1-CB 3.28Å; D2049-L2051 WeakPolarHBondContact OD1-CB 3.46Å; D2049-L2051 PolarHBondContact OD1-N 2.99Å; D2049-K2052 HydrophobicContact CB-CB 4.34Å; D2049-K2052 HydrophobicContact CB-CG 4.5Å; D2049-K2052 PolarHBondContact O-N 3.19Å; D2049-K2052 VanDerWaalsContact O-N 3.1Å; D2049-K2052 PolarHBondContact OD1-N 2.83Å; D2049-K2052 WeakPolarHBondContact OD2-CG 3.43Å; D2049-K2052 IonicContact OD2-NZ 3.51Å; D2049-K2052 PolarHBondContact OD2-NZ 3.36Å; D2049-H2053 WeakPolarHBondContact O-CB 3.42Å; D2049-H2053 PolarHBondContact O-N 3.28Å
2050L80.9Confident83Confident5 Ų545.6 Ų45.63%0.02626%0.255CS..THydrogen-bonded Turntrans-67-17.9-175.1-70.1172.9000114.2V2048 L2060 C2062 L2068 T2070 I2081V2048-L2050 PolarHBondContact O-N 3.23Å; L2050-L2060 HydrophobicContact CD1-CD1 4Å; L2050-L2060 HydrophobicContact CD2-CD1 3.96Å; L2050-C2062 PolarHBondContact O-SG 3.22Å; L2050-L2068 PolarHBondContact N-O 3.31Å; L2050-T2070 HydrophobicContact CD2-CG2 3.99Å; L2050-I2081 HydrophobicContact CD2-CD1 4.36Å
2051L78Confident82Confident102 Ų10249.4 Ų49.453%0.53427%0.273SS..THydrogen-bonded Turntrans-78.3-35.4173.3-62.3167.2000111.4D2049 C2062D2049-L2051 PolarHBondContact O-N 2.96Å; D2049-L2051 WeakPolarHBondContact OD1-CA 3.44Å; D2049-L2051 VanDerWaalsContact OD1-CB 3.28Å; D2049-L2051 WeakPolarHBondContact OD1-CB 3.46Å; D2049-L2051 PolarHBondContact OD1-N 2.99Å; L2051-C2062 HydrophobicContact CD2-CB 4.38Å; L2051-C2062 WeakPolarHBondContact CD2-O 3.49Å
2052K75.3Confident80.8Confident142 Ų14251.7 Ų51.762%0.61729%0.289SS*.THydrogen-bonded Turntrans-97.6-26.4-175.2-59.1-171.1-172.1900113.9D2049 K2054D2049-K2052 HydrophobicContact CB-CB 4.34Å; D2049-K2052 HydrophobicContact CB-CG 4.5Å; D2049-K2052 PolarHBondContact O-N 3.19Å; D2049-K2052 VanDerWaalsContact O-N 3.1Å; D2049-K2052 PolarHBondContact OD1-N 2.83Å; D2049-K2052 WeakPolarHBondContact OD2-CG 3.43Å; D2049-K2052 IonicContact OD2-NZ 3.51Å; D2049-K2052 PolarHBondContact OD2-NZ 3.36Å; K2052-K2054 PolarHBondContact O-N 2.81Å
2053H78.1Confident79.7Confident22 Ų2251 Ų5110%0.10228%0.28CS..  trans-63.1130.6-174-179.879.5000112.3V2048 D2049 G2055 R2057 Y2072V2048-H2053 HydrophobicContact CB-CB 4.17Å; V2048-H2053 HydrophobicContact CG2-CB 4.19Å; D2049-H2053 WeakPolarHBondContact O-CB 3.42Å; D2049-H2053 PolarHBondContact O-N 3.28Å; H2053-G2055 PolarHBondContact CD2-N 2.97Å; H2053-G2055 VanDerWaalsContact NE2-C 3.29Å; H2053-G2055 WeakPolarHBondContact NE2-CA 3.45Å; H2053-G2055 PolarHBondContact NE2-N 3.1Å; H2053-G2055 VanDerWaalsContact NE2-N 3.12Å; H2053-R2057 VanDerWaalsContact O-CZ 3.25Å; H2053-R2057 PolarHBondContact O-NE 2.97Å; H2053-R2057 PolarHBondContact O-NH2 3.33Å; H2053-Y2072 AromaticContact CE1-CD1 3.95Å; H2053-Y2072 AromaticContact CE1-CD2 3.51Å; H2053-Y2072 AromaticContact CE1-CE1 3.87Å; H2053-Y2072 AromaticContact CE1-CE2 3.43Å; H2053-Y2072 VanDerWaalsContact CE1-CE2 3.43Å; H2053-Y2072 WeakPolarHBondContact CE1-CE2 3.3Å; H2053-Y2072 AromaticContact CE1-CG 3.77Å; H2053-Y2072 AromaticContact CE1-CZ 3.6Å; H2053-Y2072 AromaticContact NE2-CD2 3.54Å; H2053-Y2072 AromaticContact NE2-CE2 3.33Å; H2053-Y2072 VanDerWaalsContact NE2-CE2 3.33Å; H2053-Y2072 WeakPolarHBondContact NE2-CE2 3.46Å; H2053-Y2072 AromaticContact NE2-CZ 3.88Å
2054K70Confident78.5Confident116 Ų11650.9 Ų50.950%0.50428%0.278SS..  trans-103.3-12.4-176-77.8-169.5171.8-163.30115.6S1630 K2052S1630-K2054 PolarHBondContact OG-NZ 3.1Å; K2052-K2054 PolarHBondContact O-N 2.81Å
2055G73.9Confident77.3Confident19 Ų1959.7 Ų59.720%0.19631%0.311CS..SBendtrans-80.5-163179.800000113.1H2053 R2057H2053-G2055 PolarHBondContact CD2-N 2.97Å; H2053-G2055 VanDerWaalsContact NE2-C 3.29Å; H2053-G2055 WeakPolarHBondContact NE2-CA 3.45Å; H2053-G2055 PolarHBondContact NE2-N 3.1Å; H2053-G2055 VanDerWaalsContact NE2-N 3.12Å; G2055-R2057 PolarHBondContact O-N 3.28Å
2056F80.1Confident76.5Confident51 Ų5159.3 Ų59.322%0.22431%0.307CS..  trans-61.6103.9-179176.8-110.4000112.9T2009 H2010 K2011 G2058 E2079 I2081T2009-F2056 HydrophobicContact CG2-CB 4.21Å; T2009-F2056 HydrophobicContact CG2-CD1 4.35Å; T2009-F2056 HydrophobicContact CG2-CD2 3.71Å; T2009-F2056 HydrophobicContact CG2-CE2 4.13Å; T2009-F2056 HydrophobicContact CG2-CG 3.83Å; H2010-F2056 WeakPolarHBondContact O-CE1 3.43Å; K2011-F2056 HydrophobicContact CB-CE1 4.19Å; K2011-F2056 HydrophobicContact CB-CZ 4.46Å; F2056-G2058 VanDerWaalsContact C-N 3.34Å; F2056-G2058 PolarHBondContact O-N 3.29Å; F2056-E2079 HydrophobicContact CB-CB 3.86Å; F2056-E2079 HydrophobicContact CB-CG 4.46Å; F2056-E2079 WeakPolarHBondContact CB-OE1 3.48Å; F2056-E2079 PolarHBondContact N-OE1 3.05Å; F2056-I2081 HydrophobicContact CD1-CB 4.37Å; F2056-I2081 HydrophobicContact CD1-CG2 3.71Å; F2056-I2081 HydrophobicContact CE1-CG2 3.68Å; F2056-I2081 WeakPolarHBondContact O-CD1 3.44Å
2057R80.6Confident76.1Confident97 Ų9757 Ų5737%0.36630%0.3SS..  trans-81.14.1-178.5-66.4178.5-178.1163.5-7.3115.6H2053 G2055 G2059 L2060 C2062H2053-R2057 VanDerWaalsContact O-CZ 3.25Å; H2053-R2057 PolarHBondContact O-NE 2.97Å; H2053-R2057 PolarHBondContact O-NH2 3.33Å; G2055-R2057 PolarHBondContact O-N 3.28Å; R2057-G2059 PolarHBondContact O-N 3.01Å; R2057-L2060 WeakPolarHBondContact O-CB 3.41Å; R2057-L2060 WeakPolarHBondContact O-CG 3.27Å; R2057-L2060 PolarHBondContact O-N 3.05Å; R2057-C2062 PolarHBondContact NH1-SG 2.68Å
2058G82.4Confident75.8Confident12 Ų1258.8 Ų58.812%0.12431%0.311CS..THydrogen-bonded Turntrans64.7-3.4174.700000117.7F2056F2056-G2058 VanDerWaalsContact C-N 3.34Å; F2056-G2058 PolarHBondContact O-N 3.29Å
2059G81.8Confident76Confident58 Ų5860.1 Ų60.160%0.59832%0.321SS*.THydrogen-bonded Turntrans94.611.9-167.200000114.3R2057 H2100R2057-G2059 PolarHBondContact O-N 3.01Å; G2059-H2100 PolarHBondContact O-CE1 3.27Å; G2059-H2100 VanDerWaalsContact O-CE1 3.26Å; G2059-H2100 PolarHBondContact O-ND1 3.36Å
2060L82Confident76.3Confident13 Ų1357.8 Ų57.87%0.06831%0.308CS..  trans-74.4138.3169.2-57.9-174.6000110.9L2050 R2057 A2066 T2070 I2081 M2088 H2100L2050-L2060 HydrophobicContact CD1-CD1 4Å; L2050-L2060 HydrophobicContact CD2-CD1 3.96Å; R2057-L2060 WeakPolarHBondContact O-CB 3.41Å; R2057-L2060 WeakPolarHBondContact O-CG 3.27Å; R2057-L2060 PolarHBondContact O-N 3.05Å; L2060-A2066 HydrophobicContact CB-CB 3.83Å; L2060-A2066 HydrophobicContact CD2-CB 4.1Å; L2060-A2066 HydrophobicContact CG-CB 4.41Å; L2060-T2070 HydrophobicContact CD1-CG2 4.2Å; L2060-I2081 HydrophobicContact CD1-CD1 4.07Å; L2060-M2088 HydrophobicContact CD2-CE 3.71Å; L2060-H2100 HydrophobicContact CD2-CB 4.43Å
2061E74.3Confident76.7Confident85 Ų8557.6 Ų57.640%0.39731%0.308SS..  trans-84.5136.5177.9-66.1-177.7-173.400112S2063E2061-S2063 VanDerWaalsContact CB-OG 3.26Å; E2061-S2063 WeakPolarHBondContact CB-OG 3.33Å; E2061-S2063 PolarHBondContact O-N 3.16Å; E2061-S2063 WeakPolarHBondContact OE2-CB 3.49Å; E2061-S2063 PolarHBondContact OE2-OG 3.42Å
2062C68.5Low77.2Confident50 Ų5053.1 Ų53.134%0.33828%0.284SS..THydrogen-bonded Turntrans-69.814.4167.1-57.70000113.8L2050 L2051 R2057 G2064L2050-C2062 PolarHBondContact O-SG 3.22Å; L2051-C2062 HydrophobicContact CD2-CB 4.38Å; L2051-C2062 WeakPolarHBondContact CD2-O 3.49Å; R2057-C2062 PolarHBondContact NH1-SG 2.68Å; C2062-G2064 PolarHBondContact O-N 3.08Å
2063S65.1Low77.8Confident59 Ų5947.7 Ų47.741%0.41326%0.259SS..THydrogen-bonded Turntrans-80.73.817963.50000113.4E2061 R2065E2061-S2063 VanDerWaalsContact CB-OG 3.26Å; E2061-S2063 WeakPolarHBondContact CB-OG 3.33Å; E2061-S2063 PolarHBondContact O-N 3.16Å; E2061-S2063 WeakPolarHBondContact OE2-CB 3.49Å; E2061-S2063 PolarHBondContact OE2-OG 3.42Å; S2063-R2065 PolarHBondContact O-N 2.82Å; S2063-R2065 VanDerWaalsContact O-N 3.08Å; S2063-R2065 WeakPolarHBondContact OG-CB 3.42Å; S2063-R2065 WeakPolarHBondContact OG-CD 3.45Å; S2063-R2065 WeakPolarHBondContact OG-CG 3.42Å
2064G64.4Low78.1Confident27 Ų2747.1 Ų47.128%0.27826%0.259SS..THydrogen-bonded Turntrans71.7-13.7-170.800000114.3C2062 A2066 G2067C2062-G2064 PolarHBondContact O-N 3.08Å; G2064-A2066 PolarHBondContact O-N 3.31Å; G2064-G2067 PolarHBondContact O-N 3.05Å; G2064-G2067 VanDerWaalsContact O-N 3.11Å
2065R65.7Low78.5Confident185 Ų18542 Ų4270%0.69824%0.237SC*.THydrogen-bonded Turntrans-67.3-23.2179.6-62.1175.8175.9169.2-4113.4S2063 G2067 P2089S2063-R2065 PolarHBondContact O-N 2.82Å; S2063-R2065 VanDerWaalsContact O-N 3.08Å; S2063-R2065 WeakPolarHBondContact OG-CB 3.42Å; S2063-R2065 WeakPolarHBondContact OG-CD 3.45Å; S2063-R2065 WeakPolarHBondContact OG-CG 3.42Å; R2065-G2067 VanDerWaalsContact C-N 3.3Å; R2065-P2089 WeakPolarHBondContact O-CD 3.27Å; R2065-P2089 WeakPolarHBondContact O-CG 3.12Å
2066A69.7Low78.4Confident5 Ų541.3 Ų41.34%0.04123%0.229CC..THydrogen-bonded Turntrans-86.92.5175.900000113.4L2060 G2064L2060-A2066 HydrophobicContact CB-CB 3.83Å; L2060-A2066 HydrophobicContact CD2-CB 4.1Å; L2060-A2066 HydrophobicContact CG-CB 4.41Å; G2064-A2066 PolarHBondContact O-N 3.31Å
2067G75.4Confident78.3Confident5 Ų539.3 Ų39.35%0.05222%0.221CC..  trans106.8172.4-166.100000111.9G2064 R2065 R2087G2064-G2067 PolarHBondContact O-N 3.05Å; G2064-G2067 VanDerWaalsContact O-N 3.11Å; R2065-G2067 VanDerWaalsContact C-N 3.3Å; G2067-R2087 WeakPolarHBondContact CA-O 3.32Å
2068L80.6Confident78.5Confident122 Ų12235 Ų3564%0.63921%0.206SC*.SBendtrans-95.9-36.4173-64.4176.8000111.6L2050L2050-L2068 PolarHBondContact N-O 3.31Å
2069S84.7Confident78.6Confident35 Ų3535.1 Ų35.125%0.24520%0.203CC..EExtended strand (participates in β ladder)trans-139.1159.7-179.361.50000111.7E2047 V2048E2047-S2069 WeakPolarHBondContact OE1-CB 3.35Å; E2047-S2069 PolarHBondContact OE1-OG 2.8Å; V2048-S2069 WeakPolarHBondContact O-CA 3.29Å; V2048-S2069 WeakPolarHBondContact O-CB 3.44Å
2070T90Very high79Confident3 Ų332.3 Ų32.32%0.01817%0.174CC..EExtended strand (participates in β ladder)trans-156.8159171.5-150.20000110.4V2048 L2050 L2060 I2081 F2082V2048-T2070 WeakPolarHBondContact CG2-O 3.49Å; V2048-T2070 PolarHBondContact N-O 3.17Å; V2048-T2070 PolarHBondContact O-N 2.8Å; V2048-T2070 VanDerWaalsContact O-N 3.11Å; L2050-T2070 HydrophobicContact CD2-CG2 3.99Å; L2060-T2070 HydrophobicContact CD1-CG2 4.2Å; T2070-I2081 HydrophobicContact CG2-CD1 3.83Å; T2070-I2081 HydrophobicContact CG2-CG1 3.68Å; T2070-F2082 WeakPolarHBondContact CG2-O 3.4Å; T2070-F2082 PolarHBondContact OG1-O 3.15Å
2071P90.9Very high79.5Confident1 Ų131.7 Ų31.71%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-70.8144174.6-12.325.9000111.7V2041 W2046 E2047 F2082 V2084V2041-P2071 HydrophobicContact CG1-CG 3.5Å; V2041-P2071 VanDerWaalsContact CG1-CG 3.5Å; W2046-P2071 WeakPolarHBondContact O-CA 3.38Å; E2047-P2071 WeakPolarHBondContact OE2-CD 3.46Å; E2047-P2071 VanDerWaalsContact OE2-N 3.14Å; P2071-F2082 HydrophobicContact CB-CB 4.34Å; P2071-F2082 HydrophobicContact CB-CD2 3.95Å; P2071-F2082 HydrophobicContact CB-CG 4.47Å; P2071-F2082 HydrophobicContact CG-CB 4.41Å; P2071-F2082 WeakPolarHBondContact O-CD2 3.47Å; P2071-F2082 PolarHBondContact O-N 3.47Å; P2071-F2082 VanDerWaalsContact O-N 3.12Å; P2071-V2084 VanDerWaalsContact CD-CG2 3.45Å; P2071-V2084 HydrophobicContact CG-CG2 3.89Å
2072Y88.5Confident80.4Confident8 Ų827.7 Ų27.73%0.03115%0.152CC..EExtended strand (participates in β ladder)trans-141.7148.2177.2173.2-79.4000109.5G2045 W2046 V2048 H2053 A2074 E2079 V2080 I2081G2045-Y2072 CarbonylContact C-O 3.56Å; G2045-Y2072 VanDerWaalsContact CA-O 3.27Å; G2045-Y2072 WeakPolarHBondContact CA-O 3.38Å; W2046-Y2072 AromaticContact CE2-CD1 3.63Å; W2046-Y2072 AromaticContact CZ2-CD1 3.71Å; W2046-Y2072 HydrophobicContact CZ2-CD1 3.71Å; W2046-Y2072 AromaticContact CZ2-CE1 3.73Å; W2046-Y2072 HydrophobicContact CZ2-CE1 3.73Å; W2046-Y2072 PolarHBondContact N-O 2.77Å; W2046-Y2072 AromaticContact NE1-CD1 3.46Å; W2046-Y2072 PolarHBondContact O-N 3.09Å; V2048-Y2072 HydrophobicContact CG1-CG 4.45Å; V2048-Y2072 HydrophobicContact CG2-CG 4.47Å; H2053-Y2072 AromaticContact CE1-CD1 3.95Å; H2053-Y2072 AromaticContact CE1-CD2 3.51Å; H2053-Y2072 AromaticContact CE1-CE1 3.87Å; H2053-Y2072 AromaticContact CE1-CE2 3.43Å; H2053-Y2072 VanDerWaalsContact CE1-CE2 3.43Å; H2053-Y2072 WeakPolarHBondContact CE1-CE2 3.3Å; H2053-Y2072 AromaticContact CE1-CG 3.77Å; H2053-Y2072 AromaticContact CE1-CZ 3.6Å; H2053-Y2072 AromaticContact NE2-CD2 3.54Å; H2053-Y2072 AromaticContact NE2-CE2 3.33Å; H2053-Y2072 VanDerWaalsContact NE2-CE2 3.33Å; H2053-Y2072 WeakPolarHBondContact NE2-CE2 3.46Å; H2053-Y2072 AromaticContact NE2-CZ 3.88Å; Y2072-A2074 HydrophobicContact CE1-CB 3.57Å; Y2072-E2079 HydrophobicContact CE2-CB 4.4Å; Y2072-E2079 WeakPolarHBondContact OH-CG 3.43Å; Y2072-E2079 PolarHBondContact OH-OE1 2.89Å; Y2072-V2080 CarbonylContact C-O 3.09Å; Y2072-V2080 WeakPolarHBondContact CA-O 3.48Å; Y2072-V2080 WeakPolarHBondContact CD2-O 3.23Å; Y2072-I2081 HydrophobicContact CD2-CB 4.19Å; Y2072-I2081 HydrophobicContact CD2-CG1 4.44Å
2073Y86.9Confident81.5Confident28 Ų2825.4 Ų25.411%0.1114%0.136CC..EExtended strand (participates in β ladder)trans-141.4138.5176.6170.7-96.6000109.5E1419 W2046 T2075 L2078 V2080E1419-Y2073 PolarHBondContact OE2-OH 2.88Å; W2046-Y2073 HydrophobicContact CZ3-CD2 4.05Å; Y2073-T2075 HydrophobicContact CE1-CG2 4.17Å; Y2073-L2078 HydrophobicContact CD1-CD1 4.11Å; Y2073-L2078 HydrophobicContact CE1-CD1 4.05Å; Y2073-V2080 HydrophobicContact CD1-CG2 4.15Å; Y2073-V2080 PolarHBondContact N-O 3Å; Y2073-V2080 PolarHBondContact O-N 2.84Å
2074A83.4Confident82.8Confident10 Ų1022.6 Ų22.68%0.08312%0.117CC..EExtended strand (participates in β ladder)trans-146.1156176.600000112.5W2046 Y2072 L2078 E2079W2046-A2074 HydrophobicContact CH2-CB 4.16Å; W2046-A2074 VanDerWaalsContact CH2-N 3.26Å; W2046-A2074 HydrophobicContact CZ2-CB 4.28Å; Y2072-A2074 HydrophobicContact CE1-CB 3.57Å; A2074-L2078 CarbonylContact C-O 3.38Å; A2074-L2078 VanDerWaalsContact CA-O 3.22Å; A2074-L2078 WeakPolarHBondContact CA-O 3.08Å; A2074-L2078 WeakPolarHBondContact CB-O 3.25Å; A2074-E2079 HydrophobicContact CB-CG 4.3Å
2075T78.6Confident84Confident10 Ų1021.3 Ų21.36%0.06110%0.104CC..  trans-116.9-169.4162.9750000108.9E1472 R2007 Y2073 T2077 L2078E1472-T2075 PolarHBondContact OE1-OG1 2.95Å; R2007-T2075 PolarHBondContact NH1-O 3.09Å; Y2073-T2075 HydrophobicContact CE1-CG2 4.17Å; T2075-T2077 PolarHBondContact O-N 3.39Å; T2075-T2077 PolarHBondContact OG1-N 3.39Å; T2075-T2077 PolarHBondContact OG1-OG1 2.95Å; T2075-T2077 VanDerWaalsContact OG1-OG1 3.05Å; T2075-L2078 HydrophobicContact CG2-CD2 4.24Å; T2075-L2078 HydrophobicContact CG2-CG 4.12Å; T2075-L2078 PolarHBondContact N-O 3.32Å; T2075-L2078 PolarHBondContact OG1-N 3.21Å
2076S72.6Confident85Confident4 Ų412.9 Ų12.93%0.0287%0.073CC..SBendtrans-67.7-22.2167.157.40000112.5H1610 R2007H1610-S2076 PolarHBondContact CE1-O 3.17Å; H1610-S2076 VanDerWaalsContact CE1-O 3.25Å; H1610-S2076 WeakPolarHBondContact NE2-CB 3.47Å; H1610-S2076 PolarHBondContact NE2-OG 3.16Å; R2007-S2076 WeakPolarHBondContact CD-O 3.45Å; R2007-S2076 WeakPolarHBondContact CG-O 3.4Å
2077T77.5Confident85.8Confident8 Ų815.8 Ų15.85%0.0498%0.082CC..SBendtrans-103.7-25.9-175.472.60000114.7Q1468 I1471 E1472 R2007 E2008 T2075Q1468-T2077 PolarHBondContact NE2-OG1 2.89Å; Q1468-T2077 VanDerWaalsContact NE2-OG1 3.11Å; I1471-T2077 HydrophobicContact CG2-CG2 3.58Å; E1472-T2077 WeakPolarHBondContact OE1-CG2 3.48Å; E1472-T2077 PolarHBondContact OE1-OG1 3.31Å; R2007-T2077 CarbonylContact C-O 3.6Å; R2007-T2077 WeakPolarHBondContact CA-O 3.44Å; R2007-T2077 VanDerWaalsContact CB-O 3.25Å; R2007-T2077 WeakPolarHBondContact CB-O 3.14Å; E2008-T2077 PolarHBondContact N-O 3Å; T2075-T2077 PolarHBondContact O-N 3.39Å; T2075-T2077 PolarHBondContact OG1-N 3.39Å; T2075-T2077 PolarHBondContact OG1-OG1 2.95Å; T2075-T2077 VanDerWaalsContact OG1-OG1 3.05Å
2078L84.5Confident86.3Confident8 Ų815.8 Ų15.84%0.0428%0.081CC..EExtended strand (participates in β ladder)trans-139156-171.472.393.6000113.9E2008 Y2073 A2074 T2075 V2080 I2177E2008-L2078 HydrophobicContact CB-CB 4.16Å; E2008-L2078 CarbonylContact O-C 3.4Å; E2008-L2078 VanDerWaalsContact O-CA 3.27Å; E2008-L2078 WeakPolarHBondContact O-CA 3.23Å; Y2073-L2078 HydrophobicContact CD1-CD1 4.11Å; Y2073-L2078 HydrophobicContact CE1-CD1 4.05Å; A2074-L2078 CarbonylContact C-O 3.38Å; A2074-L2078 VanDerWaalsContact CA-O 3.22Å; A2074-L2078 WeakPolarHBondContact CA-O 3.08Å; A2074-L2078 WeakPolarHBondContact CB-O 3.25Å; T2075-L2078 HydrophobicContact CG2-CD2 4.24Å; T2075-L2078 HydrophobicContact CG2-CG 4.12Å; T2075-L2078 PolarHBondContact N-O 3.32Å; T2075-L2078 PolarHBondContact OG1-N 3.21Å; L2078-V2080 HydrophobicContact CD1-CG2 3.61Å; L2078-I2177 HydrophobicContact CD1-CD1 4.27Å
2079E85.7Confident85.9Confident13 Ų1312.4 Ų12.46%0.0617%0.067CC..EExtended strand (participates in β ladder)trans-130.9133.6174-57.7179.657.100110.2R2007 E2008 T2009 H2010 F2056 Y2072 A2074R2007-E2079 HydrophobicContact CB-CG 4.22Å; R2007-E2079 VanDerWaalsContact CZ-CD 3.44Å; R2007-E2079 VanDerWaalsContact CZ-CG 3.48Å; R2007-E2079 IonicContact CZ-OE2 3.47Å; R2007-E2079 VanDerWaalsContact NE-CD 3.33Å; R2007-E2079 VanDerWaalsContact NE-CG 3.3Å; R2007-E2079 IonicContact NE-OE2 2.61Å; R2007-E2079 PolarHBondContact NE-OE2 3.26Å; R2007-E2079 IonicContact NH2-OE1 2.85Å; R2007-E2079 PolarHBondContact NH2-OE1 3.02Å; R2007-E2079 IonicContact NH2-OE2 2.77Å; R2007-E2079 PolarHBondContact NH2-OE2 3.4Å; E2008-E2079 PolarHBondContact O-N 3.4Å; T2009-E2079 CarbonylContact C-O 3.57Å; T2009-E2079 WeakPolarHBondContact CA-O 3.42Å; T2009-E2079 HydrophobicContact CG2-CB 4.43Å; H2010-E2079 PolarHBondContact N-O 3.38Å; F2056-E2079 HydrophobicContact CB-CB 3.86Å; F2056-E2079 HydrophobicContact CB-CG 4.46Å; F2056-E2079 WeakPolarHBondContact CB-OE1 3.48Å; F2056-E2079 PolarHBondContact N-OE1 3.05Å; Y2072-E2079 HydrophobicContact CE2-CB 4.4Å; Y2072-E2079 WeakPolarHBondContact OH-CG 3.43Å; Y2072-E2079 PolarHBondContact OH-OE1 2.89Å; A2074-E2079 HydrophobicContact CB-CG 4.3Å
2080V90.5Very high85Confident0 Ų013.3 Ų13.30%07%0.073CC..EExtended strand (participates in β ladder)trans-127.8126.7178.2-173.30000108.8H2010 L2012 Y2072 Y2073 L2078 F2082 I2177H2010-V2080 HydrophobicContact CB-CG1 4.37Å; H2010-V2080 HydrophobicContact CB-CG2 4.26Å; H2010-V2080 WeakPolarHBondContact O-CA 3.06Å; L2012-V2080 HydrophobicContact CD1-CG1 3.51Å; L2012-V2080 HydrophobicContact CG-CG1 4.14Å; Y2072-V2080 CarbonylContact C-O 3.09Å; Y2072-V2080 WeakPolarHBondContact CA-O 3.48Å; Y2072-V2080 WeakPolarHBondContact CD2-O 3.23Å; Y2073-V2080 HydrophobicContact CD1-CG2 4.15Å; Y2073-V2080 PolarHBondContact N-O 3Å; Y2073-V2080 PolarHBondContact O-N 2.84Å; L2078-V2080 HydrophobicContact CD1-CG2 3.61Å; V2080-F2082 HydrophobicContact CB-CE2 4.46Å; V2080-F2082 HydrophobicContact CG1-CD2 4.31Å; V2080-F2082 HydrophobicContact CG1-CE1 4.21Å; V2080-F2082 HydrophobicContact CG1-CE2 3.75Å; V2080-F2082 HydrophobicContact CG1-CZ 3.7Å; V2080-I2177 HydrophobicContact CG2-CD1 3.94Å; V2080-I2177 HydrophobicContact CG2-CG1 3.96Å
2081I90.9Very high83.4Confident0 Ų015.8 Ų15.80%09%0.09CC..EExtended strand (participates in β ladder)trans-119.1135.2168.5-165.9170.8000110.4H2010 K2011 L2012 L2050 F2056 L2060 T2070 Y2072H2010-I2081 PolarHBondContact O-N 2.91Å; K2011-I2081 WeakPolarHBondContact CA-O 3.11Å; K2011-I2081 HydrophobicContact CB-CG2 4.3Å; L2012-I2081 PolarHBondContact N-O 3.22Å; L2012-I2081 VanDerWaalsContact N-O 3.12Å; L2050-I2081 HydrophobicContact CD2-CD1 4.36Å; F2056-I2081 HydrophobicContact CD1-CB 4.37Å; F2056-I2081 HydrophobicContact CD1-CG2 3.71Å; F2056-I2081 HydrophobicContact CE1-CG2 3.68Å; F2056-I2081 WeakPolarHBondContact O-CD1 3.44Å; L2060-I2081 HydrophobicContact CD1-CD1 4.07Å; T2070-I2081 HydrophobicContact CG2-CD1 3.83Å; T2070-I2081 HydrophobicContact CG2-CG1 3.68Å; Y2072-I2081 HydrophobicContact CD2-CB 4.19Å; Y2072-I2081 HydrophobicContact CD2-CG1 4.44Å
2082F93.5Very high81.7Confident0 Ų023 Ų230%014%0.135CC..EExtended strand (participates in β ladder)trans-97.4130.5178.6-61.3-88.4000109.3L2012 I2014 L2044 T2070 P2071 V2080 V2084 I2108L2012-F2082 HydrophobicContact CB-CD1 3.95Å; L2012-F2082 HydrophobicContact CB-CE1 4.27Å; L2012-F2082 HydrophobicContact CD1-CD1 4.07Å; L2012-F2082 HydrophobicContact CD1-CE1 3.54Å; L2012-F2082 HydrophobicContact CD1-CZ 4.14Å; L2012-F2082 CarbonylContact O-C 3.4Å; L2012-F2082 WeakPolarHBondContact O-CA 3.12Å; I2014-F2082 HydrophobicContact CD1-CB 3.99Å; I2014-F2082 HydrophobicContact CD1-CD1 3.75Å; I2014-F2082 HydrophobicContact CD1-CG 4.15Å; I2014-F2082 HydrophobicContact CG1-CB 4.32Å; I2014-F2082 HydrophobicContact CG1-CD1 4.18Å; L2044-F2082 HydrophobicContact CB-CE1 4.24Å; L2044-F2082 HydrophobicContact CB-CE2 4.03Å; L2044-F2082 HydrophobicContact CB-CZ 3.88Å; L2044-F2082 HydrophobicContact CD1-CD1 4.15Å; L2044-F2082 HydrophobicContact CD1-CE1 3.99Å; L2044-F2082 HydrophobicContact CD1-CZ 4.46Å; L2044-F2082 HydrophobicContact CD2-CE1 4.33Å; L2044-F2082 HydrophobicContact CD2-CZ 4.35Å; L2044-F2082 HydrophobicContact CG-CE1 4.45Å; L2044-F2082 HydrophobicContact CG-CZ 4.48Å; L2044-F2082 WeakPolarHBondContact O-CE2 3.21Å; T2070-F2082 WeakPolarHBondContact CG2-O 3.4Å; T2070-F2082 PolarHBondContact OG1-O 3.15Å; P2071-F2082 HydrophobicContact CB-CB 4.34Å; P2071-F2082 HydrophobicContact CB-CD2 3.95Å; P2071-F2082 HydrophobicContact CB-CG 4.47Å; P2071-F2082 HydrophobicContact CG-CB 4.41Å; P2071-F2082 WeakPolarHBondContact O-CD2 3.47Å; P2071-F2082 PolarHBondContact O-N 3.47Å; P2071-F2082 VanDerWaalsContact O-N 3.12Å; V2080-F2082 HydrophobicContact CB-CE2 4.46Å; V2080-F2082 HydrophobicContact CG1-CD2 4.31Å; V2080-F2082 HydrophobicContact CG1-CE1 4.21Å; V2080-F2082 HydrophobicContact CG1-CE2 3.75Å; V2080-F2082 HydrophobicContact CG1-CZ 3.7Å; F2082-V2084 HydrophobicContact CB-CG2 4.12Å; F2082-I2108 HydrophobicContact CE1-CD1 4.29Å
2083H92.6Very high80.1Confident2 Ų228.4 Ų28.41%0.00916%0.16CC..EExtended strand (participates in β ladder)trans-93.493.8172.4-64.8164.1000108.1L2012 I2014 M2088 L2101 D2104L2012-H2083 PolarHBondContact O-N 2.81Å; I2014-H2083 PolarHBondContact N-O 3.48Å; H2083-M2088 HydrophobicContact CB-CE 3.79Å; H2083-L2101 HydrophobicContact CB-CD2 3.85Å; H2083-L2101 WeakPolarHBondContact O-CD2 3.29Å; H2083-D2104 IonicContact CE1-OD1 2.7Å; H2083-D2104 IonicContact CE1-OD2 3.42Å; H2083-D2104 IonicContact CG-OD2 3.85Å; H2083-D2104 IonicContact ND1-OD1 2.72Å; H2083-D2104 PolarHBondContact ND1-OD1 3.5Å; H2083-D2104 IonicContact ND1-OD2 2.93Å; H2083-D2104 PolarHBondContact ND1-OD2 2.97Å
2084V91.7Very high78.7Confident1 Ų131 Ų311%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-91.4118.7-172.7-173.60000111.3I2014 F2037 V2041 P2071 F2082 T2086 R2087 M2088I2014-V2084 HydrophobicContact CB-CG2 4.38Å; I2014-V2084 HydrophobicContact CD1-CG2 4.07Å; I2014-V2084 HydrophobicContact CG1-CG2 4.34Å; F2037-V2084 HydrophobicContact CE1-CG1 4.31Å; F2037-V2084 HydrophobicContact CZ-CG1 4.09Å; V2041-V2084 HydrophobicContact CG1-CG2 4.5Å; P2071-V2084 VanDerWaalsContact CD-CG2 3.45Å; P2071-V2084 HydrophobicContact CG-CG2 3.89Å; F2082-V2084 HydrophobicContact CB-CG2 4.12Å; V2084-T2086 VanDerWaalsContact C-N 3.33Å; V2084-T2086 PolarHBondContact O-N 3.44Å; V2084-R2087 HydrophobicContact CB-CB 4.19Å; V2084-R2087 HydrophobicContact CB-CG 3.85Å; V2084-R2087 HydrophobicContact CG1-CG 4.01Å; V2084-R2087 PolarHBondContact O-N 3.3Å; V2084-R2087 VanDerWaalsContact O-N 3.07Å; V2084-M2088 PolarHBondContact O-N 3.37Å
2085S89.5Confident77.7Confident0 Ų036.5 Ų36.50%020%0.202CC..G310 helixtrans-55.6-38.4-177.751.20000114.6I2014 F2015 Y2016 M2088 K2097I2014-S2085 VanDerWaalsContact O-CB 3.24Å; I2014-S2085 WeakPolarHBondContact O-CB 3.49Å; I2014-S2085 PolarHBondContact O-N 3.27Å; I2014-S2085 PolarHBondContact O-OG 2.91Å; F2015-S2085 WeakPolarHBondContact CA-OG 3.5Å; Y2016-S2085 PolarHBondContact N-OG 2.84Å; S2085-M2088 PolarHBondContact O-N 2.86Å; S2085-K2097 WeakPolarHBondContact O-CE 3.47Å; S2085-K2097 PolarHBondContact O-NZ 3.35Å
2086T88.1Confident77.1Confident7 Ų739.3 Ų39.34%0.04322%0.216CC..G310 helixtrans-72.9-26.2177.655.10000113.6N2030 A2033 F2037 V2084 M2088N2030-T2086 HydrophobicContact CB-CG2 4.44Å; A2033-T2086 HydrophobicContact CB-CG2 3.86Å; F2037-T2086 HydrophobicContact CE1-CG2 4.27Å; V2084-T2086 VanDerWaalsContact C-N 3.33Å; V2084-T2086 PolarHBondContact O-N 3.44Å; T2086-M2088 VanDerWaalsContact C-N 3.32Å
2087R85.4Confident77.3Confident66 Ų6639.6 Ų39.625%0.24922%0.217CC..G310 helixtrans-77.4-16.9176.6-61-64.3-171.9-88.2-2.9113.1E2038 E2047 G2067 V2084E2038-R2087 VanDerWaalsContact CD-NH1 3.3Å; E2038-R2087 IonicContact OE1-CZ 3.58Å; E2038-R2087 IonicContact OE1-NH1 2.81Å; E2038-R2087 PolarHBondContact OE1-NH1 3.48Å; E2038-R2087 IonicContact OE2-CZ 3.5Å; E2038-R2087 VanDerWaalsContact OE2-CZ 3.27Å; E2038-R2087 IonicContact OE2-NH1 3.62Å; E2038-R2087 PolarHBondContact OE2-NH1 3.09Å; E2038-R2087 IonicContact OE2-NH2 2.7Å; E2038-R2087 PolarHBondContact OE2-NH2 2.59Å; E2047-R2087 IonicContact OE1-CZ 2.84Å; E2047-R2087 IonicContact OE1-NE 2.73Å; E2047-R2087 PolarHBondContact OE1-NE 2.99Å; E2047-R2087 IonicContact OE1-NH2 3.58Å; G2067-R2087 WeakPolarHBondContact CA-O 3.32Å; V2084-R2087 HydrophobicContact CB-CB 4.19Å; V2084-R2087 HydrophobicContact CB-CG 3.85Å; V2084-R2087 HydrophobicContact CG1-CG 4.01Å; V2084-R2087 PolarHBondContact O-N 3.3Å; V2084-R2087 VanDerWaalsContact O-N 3.07Å
2088M85.4Confident77.4Confident5 Ų540.6 Ų40.63%0.02522%0.219CC..SBendtrans-89.2124.8178.9-66.1-174.2-177.500111.8Q2031 L2060 H2083 V2084 S2085 T2086 S2090 K2097 H2100 L2101Q2031-M2088 PolarHBondContact NE2-O 2.73Å; L2060-M2088 HydrophobicContact CD2-CE 3.71Å; H2083-M2088 HydrophobicContact CB-CE 3.79Å; V2084-M2088 PolarHBondContact O-N 3.37Å; S2085-M2088 PolarHBondContact O-N 2.86Å; T2086-M2088 VanDerWaalsContact C-N 3.32Å; M2088-S2090 PolarHBondContact O-N 3.43Å; M2088-K2097 HydrophobicContact CB-CD 4.12Å; M2088-K2097 HydrophobicContact CB-CG 4.04Å; M2088-K2097 WeakPolarHBondContact O-CE 3.33Å; M2088-K2097 PolarHBondContact O-NZ 3.31Å; M2088-K2097 HydrophobicContact SD-CG 4.36Å; M2088-H2100 HydrophobicContact CE-CB 4.02Å; M2088-H2100 HydrophobicContact SD-CB 4.27Å; M2088-L2101 HydrophobicContact CE-CD2 4.19Å; M2088-L2101 HydrophobicContact CE-CG 4.42Å; M2088-L2101 HydrophobicContact SD-CD1 4.24Å; M2088-L2101 HydrophobicContact SD-CD2 4.17Å; M2088-L2101 HydrophobicContact SD-CG 3.93Å
2089P72.7Confident77.1Confident52 Ų5245.7 Ų45.734%0.33824%0.241SC..  trans-64.9134.2-177.926-34.2000112.2R2065 S2091R2065-P2089 WeakPolarHBondContact O-CD 3.27Å; R2065-P2089 WeakPolarHBondContact O-CG 3.12Å; P2089-S2091 VanDerWaalsContact C-N 3.28Å; P2089-S2091 PolarHBondContact O-N 3.48Å
2090S65.8Low76.7Confident54 Ų5446.8 Ų46.838%0.37825%0.246SC..  trans-75.576.2177.7-67.90000111.3L2028 S2029 Q2031 M2088 K2097L2028-S2090 PolarHBondContact O-OG 2.85Å; S2029-S2090 PolarHBondContact O-OG 3.35Å; Q2031-S2090 PolarHBondContact NE2-OG 3.18Å; Q2031-S2090 VanDerWaalsContact NE2-OG 3.15Å; Q2031-S2090 VanDerWaalsContact OE1-N 3.07Å; M2088-S2090 PolarHBondContact O-N 3.43Å; S2090-K2097 PolarHBondContact OG-NZ 2.82Å
2091S57Low76.3Confident54 Ų5446.8 Ų46.838%0.37825%0.246SC..  trans-67.6155173.187.70000111.6P2089 Q2093P2089-S2091 VanDerWaalsContact C-N 3.28Å; P2089-S2091 PolarHBondContact O-N 3.48Å; S2091-Q2093 CarbonylContact O-C 3.59Å; S2091-Q2093 PolarHBondContact O-N 3.22Å; S2091-Q2093 PolarHBondContact OG-N 3.35Å; S2091-Q2093 PolarHBondContact OG-O 3.01Å
2092T54.6Low75.8Confident153 Ų15346.8 Ų46.894%0.93925%0.247SC*.SBendtrans-63.71175.4530000114.8
2093Q55.3Low75.4Confident121 Ų12150.1 Ų50.157%0.56526%0.264SS*.  trans-112.388.1164.7-69.6-173.4-3100109.4S2091 D2095 L2096S2091-Q2093 CarbonylContact O-C 3.59Å; S2091-Q2093 PolarHBondContact O-N 3.22Å; S2091-Q2093 PolarHBondContact OG-N 3.35Å; S2091-Q2093 PolarHBondContact OG-O 3.01Å; Q2093-D2095 PolarHBondContact O-N 3.06Å; Q2093-D2095 VanDerWaalsContact O-N 3.13Å; Q2093-L2096 HydrophobicContact CB-CD1 4.05Å; Q2093-L2096 HydrophobicContact CB-CG 4Å; Q2093-L2096 WeakPolarHBondContact O-CB 3.25Å; Q2093-L2096 PolarHBondContact O-N 2.99Å
2094E57.9Low75.2Confident82 Ų8250 Ų5038%0.38326%0.264SS..Hα-helixtrans-52.7-31.8175.3-67.4169.6-149.200112.8Q2025 L2096 K2097 Y2098Q2025-E2094 WeakPolarHBondContact CG-OE1 3.37Å; Q2025-E2094 PolarHBondContact NE2-OE1 2.69Å; E2094-L2096 PolarHBondContact O-N 3.01Å; E2094-L2096 VanDerWaalsContact O-N 3.15Å; E2094-K2097 PolarHBondContact O-N 3.4Å; E2094-Y2098 PolarHBondContact O-N 2.9Å
2095D62.6Low75.1Confident127 Ų12752.1 Ų52.168%0.67927%0.274SS*.Hα-helixtrans-52.5-31.2174.3-72.1-36.8000113Q2093 K2099Q2093-D2095 PolarHBondContact O-N 3.06Å; Q2093-D2095 VanDerWaalsContact O-N 3.13Å; D2095-K2099 WeakPolarHBondContact O-CB 3.46Å; D2095-K2099 PolarHBondContact O-N 3.35Å
2096L65.6Low75.3Confident68 Ų6852.1 Ų52.136%0.35627%0.274SS..Hα-helixtrans-72.2-50.3179.9-63.3179.4000111.7Q2093 E2094 Y2098 K2099 H2100Q2093-L2096 HydrophobicContact CB-CD1 4.05Å; Q2093-L2096 HydrophobicContact CB-CG 4Å; Q2093-L2096 WeakPolarHBondContact O-CB 3.25Å; Q2093-L2096 PolarHBondContact O-N 2.99Å; E2094-L2096 PolarHBondContact O-N 3.01Å; E2094-L2096 VanDerWaalsContact O-N 3.15Å; L2096-Y2098 VanDerWaalsContact C-N 3.29Å; L2096-Y2098 PolarHBondContact O-N 2.94Å; L2096-K2099 WeakPolarHBondContact O-CB 3.24Å; L2096-K2099 PolarHBondContact O-N 3.35Å; L2096-K2099 VanDerWaalsContact O-N 3.11Å; L2096-H2100 PolarHBondContact O-CD2 3.36Å; L2096-H2100 PolarHBondContact O-N 3.28Å
2097K76.1Confident75.6Confident11 Ų1152 Ų525%0.04827%0.273CS..Hα-helixtrans-60.6-41.4177.4-173.3165.3176.9169.10110.7L2028 N2030 S2085 M2088 S2090 E2094 H2100 L2101L2028-K2097 HydrophobicContact CD2-CG 4.49Å; L2028-K2097 WeakPolarHBondContact O-CD 3.42Å; L2028-K2097 WeakPolarHBondContact O-CE 3.49Å; L2028-K2097 PolarHBondContact O-NZ 2.98Å; N2030-K2097 PolarHBondContact O-NZ 2.91Å; S2085-K2097 WeakPolarHBondContact O-CE 3.47Å; S2085-K2097 PolarHBondContact O-NZ 3.35Å; M2088-K2097 HydrophobicContact CB-CD 4.12Å; M2088-K2097 HydrophobicContact CB-CG 4.04Å; M2088-K2097 WeakPolarHBondContact O-CE 3.33Å; M2088-K2097 PolarHBondContact O-NZ 3.31Å; M2088-K2097 HydrophobicContact SD-CG 4.36Å; S2090-K2097 PolarHBondContact OG-NZ 2.82Å; E2094-K2097 PolarHBondContact O-N 3.4Å; K2097-H2100 PolarHBondContact O-N 3.14Å; K2097-L2101 HydrophobicContact CG-CD1 3.91Å; K2097-L2101 WeakPolarHBondContact O-CG 3.03Å; K2097-L2101 PolarHBondContact O-N 3.49Å
2098Y79Confident76.1Confident28 Ų2848.9 Ų48.911%0.1126%0.261CS..Hα-helixtrans-74.8-21.8176.2-159.3-110.7000114.3L2028 E2094 L2096 G2102 L2122 R2123L2028-Y2098 HydrophobicContact CD1-CD2 3.88Å; L2028-Y2098 HydrophobicContact CD1-CG 4.28Å; L2028-Y2098 HydrophobicContact CD2-CD2 4.26Å; E2094-Y2098 PolarHBondContact O-N 2.9Å; L2096-Y2098 VanDerWaalsContact C-N 3.29Å; L2096-Y2098 PolarHBondContact O-N 2.94Å; Y2098-G2102 WeakPolarHBondContact O-CA 3.38Å; Y2098-G2102 PolarHBondContact O-N 3.47Å; Y2098-L2122 HydrophobicContact CE2-CB 4.46Å; Y2098-L2122 HydrophobicContact CE2-CD2 4.24Å; Y2098-L2122 PolarHBondContact OH-O 3.46Å; Y2098-R2123 PolarHBondContact OH-N 3.19Å; Y2098-R2123 PolarHBondContact OH-O 3.19Å
2099K78.2Confident76.5Confident115 Ų11548.7 Ų48.750%0.526%0.26SS..Hα-helixtrans-71.3-26.1174172.2-169.4170-146.80112.9D2095 L2096 N2103D2095-K2099 WeakPolarHBondContact O-CB 3.46Å; D2095-K2099 PolarHBondContact O-N 3.35Å; L2096-K2099 WeakPolarHBondContact O-CB 3.24Å; L2096-K2099 PolarHBondContact O-N 3.35Å; L2096-K2099 VanDerWaalsContact O-N 3.11Å; K2099-N2103 PolarHBondContact O-ND2 3.13Å
2100H77.5Confident77.6Confident36 Ų3646.2 Ų46.217%0.16724%0.244CC..Hα-helixtrans-81.7-66.1169.9-67.3-84000109.5G2059 L2060 M2088 L2096 K2097 G2102 N2103G2059-H2100 PolarHBondContact O-CE1 3.27Å; G2059-H2100 VanDerWaalsContact O-CE1 3.26Å; G2059-H2100 PolarHBondContact O-ND1 3.36Å; L2060-H2100 HydrophobicContact CD2-CB 4.43Å; M2088-H2100 HydrophobicContact CE-CB 4.02Å; M2088-H2100 HydrophobicContact SD-CB 4.27Å; L2096-H2100 PolarHBondContact O-CD2 3.36Å; L2096-H2100 PolarHBondContact O-N 3.28Å; K2097-H2100 PolarHBondContact O-N 3.14Å; H2100-G2102 VanDerWaalsContact C-N 3.33Å; H2100-G2102 PolarHBondContact O-N 3.5Å; H2100-N2103 PolarHBondContact O-N 3.29Å
2101L83.4Confident78.8Confident0 Ų043.9 Ų43.90%023%0.227CC..Hα-helixtrans-58.2-38.2-175-60.4165.5000114.2A2013 F2015 L2028 H2083 M2088 K2097 N2103 M2107A2013-L2101 HydrophobicContact CB-CB 4.49Å; A2013-L2101 HydrophobicContact CB-CD2 4.26Å; F2015-L2101 HydrophobicContact CD1-CD1 4.48Å; F2015-L2101 HydrophobicContact CE1-CB 3.91Å; F2015-L2101 HydrophobicContact CE1-CD1 3.89Å; F2015-L2101 HydrophobicContact CE1-CG 4.42Å; F2015-L2101 HydrophobicContact CE2-CB 4.43Å; F2015-L2101 HydrophobicContact CZ-CB 3.59Å; F2015-L2101 HydrophobicContact CZ-CD1 4.42Å; F2015-L2101 HydrophobicContact CZ-CG 4.47Å; L2028-L2101 HydrophobicContact CD2-CD1 4.13Å; H2083-L2101 HydrophobicContact CB-CD2 3.85Å; H2083-L2101 WeakPolarHBondContact O-CD2 3.29Å; M2088-L2101 HydrophobicContact CE-CD2 4.19Å; M2088-L2101 HydrophobicContact CE-CG 4.42Å; M2088-L2101 HydrophobicContact SD-CD1 4.24Å; M2088-L2101 HydrophobicContact SD-CD2 4.17Å; M2088-L2101 HydrophobicContact SD-CG 3.93Å; K2097-L2101 HydrophobicContact CG-CD1 3.91Å; K2097-L2101 WeakPolarHBondContact O-CG 3.03Å; K2097-L2101 PolarHBondContact O-N 3.49Å; L2101-N2103 VanDerWaalsContact C-N 3.31Å; L2101-N2103 PolarHBondContact O-N 2.8Å; L2101-M2107 WeakPolarHBondContact O-CE 3.49Å
2102G79.1Confident80.3Confident1 Ų141.9 Ų41.91%0.0121%0.212CC..THydrogen-bonded Turntrans-78.3-12-17500000114.4Y2098 H2100 T2124Y2098-G2102 WeakPolarHBondContact O-CA 3.38Å; Y2098-G2102 PolarHBondContact O-N 3.47Å; H2100-G2102 VanDerWaalsContact C-N 3.33Å; H2100-G2102 PolarHBondContact O-N 3.5Å; G2102-T2124 WeakPolarHBondContact O-CB 3.48Å; G2102-T2124 PolarHBondContact O-OG1 2.85Å
2103N84.9Confident81.6Confident69 Ų6934.8 Ų34.837%0.36917%0.168SC..THydrogen-bonded Turntrans-99.914179.5-73.4-28.3000112.7K2011 K2099 H2100 L2101 F2126K2011-N2103 PolarHBondContact NZ-O 3.28Å; K2099-N2103 PolarHBondContact O-ND2 3.13Å; H2100-N2103 PolarHBondContact O-N 3.29Å; L2101-N2103 VanDerWaalsContact C-N 3.31Å; L2101-N2103 PolarHBondContact O-N 2.8Å; N2103-F2126 HydrophobicContact CB-CD2 4.45Å; N2103-F2126 HydrophobicContact CB-CE2 4.41Å; N2103-F2126 WeakPolarHBondContact OD1-CE2 3.45Å
2104D89.1Confident82.2Confident0 Ų030 Ų300%015%0.148CC..  trans-94.9144.8173.5-61.3-38.1000110.8K2011 A2013 H2083 M2107 F2126 G2127K2011-D2104 WeakPolarHBondContact CG-OD1 3.28Å; K2011-D2104 IonicContact NZ-OD1 3.2Å; K2011-D2104 PolarHBondContact NZ-OD1 2.61Å; A2013-D2104 HydrophobicContact CB-CB 3.97Å; H2083-D2104 IonicContact CE1-OD1 2.7Å; H2083-D2104 IonicContact CE1-OD2 3.42Å; H2083-D2104 IonicContact CG-OD2 3.85Å; H2083-D2104 IonicContact ND1-OD1 2.72Å; H2083-D2104 PolarHBondContact ND1-OD1 3.5Å; H2083-D2104 IonicContact ND1-OD2 2.93Å; H2083-D2104 PolarHBondContact ND1-OD2 2.97Å; D2104-M2107 WeakPolarHBondContact O-CE 3.48Å; D2104-F2126 WeakPolarHBondContact O-CB 3.27Å; D2104-G2127 PolarHBondContact O-N 3.22Å
2105E89.7Confident82.8Confident45 Ų4527 Ų2721%0.2113%0.133CC..SBendtrans-85.8-24.5-175.5-68.3161.4-175.700112G2127 D2128 V2129 V2183 K2187E2105-G2127 CarbonylContact O-C 3.59Å; E2105-G2127 VanDerWaalsContact O-C 3.27Å; E2105-G2127 WeakPolarHBondContact O-CA 3.3Å; E2105-D2128 PolarHBondContact O-N 3.08Å; E2105-V2129 PolarHBondContact O-N 3.03Å; E2105-V2129 VanDerWaalsContact O-N 3.11Å; E2105-V2183 HydrophobicContact CB-CG1 4.15Å; E2105-V2183 HydrophobicContact CG-CG1 4.31Å; E2105-K2187 WeakPolarHBondContact OE1-CE 3.42Å; E2105-K2187 IonicContact OE1-NZ 3.2Å; E2105-K2187 PolarHBondContact OE1-NZ 2.79Å; E2105-K2187 IonicContact OE2-NZ 2.98Å; E2105-K2187 PolarHBondContact OE2-NZ 3.03Å
2106I93.4Very high83.2Confident1 Ų121.1 Ų21.11%0.00510%0.102CC..EExtended strand (participates in β ladder)trans-118126.9178.1-43.5-59.3000108.3L2012 A2013 V2129 A2176 A2179 V2183L2012-I2106 HydrophobicContact CD2-CB 3.66Å; L2012-I2106 HydrophobicContact CD2-CG1 3.91Å; L2012-I2106 HydrophobicContact CD2-CG2 4.08Å; A2013-I2106 PolarHBondContact N-O 3.49Å; A2013-I2106 VanDerWaalsContact N-O 3.15Å; I2106-V2129 WeakPolarHBondContact CA-O 3.49Å; I2106-V2129 HydrophobicContact CD1-CB 3.76Å; I2106-V2129 HydrophobicContact CD1-CG2 3.94Å; I2106-V2129 HydrophobicContact CG2-CB 4.46Å; I2106-V2129 HydrophobicContact CG2-CG1 4.49Å; I2106-A2176 HydrophobicContact CG2-CB 4.17Å; I2106-A2179 HydrophobicContact CD1-CB 3.77Å; I2106-A2179 HydrophobicContact CG1-CB 4.48Å; I2106-A2179 HydrophobicContact CG2-CB 4.45Å; I2106-V2183 HydrophobicContact CD1-CG2 4.02Å
2107M94Very high83.9Confident4 Ų418 Ų182%0.029%0.086CC..EExtended strand (participates in β ladder)trans-124.5112.1-177.4-60-171170.700110.9A2013 F2015 L2101 D2104 I2109 T2124 V2129 L2130 I2131A2013-M2107 HydrophobicContact CB-CG 4.23Å; F2015-M2107 HydrophobicContact CD2-CB 4.48Å; F2015-M2107 HydrophobicContact CE2-CB 4.3Å; F2015-M2107 HydrophobicContact CE2-CG 4.18Å; F2015-M2107 HydrophobicContact CE2-SD 3.82Å; L2101-M2107 WeakPolarHBondContact O-CE 3.49Å; D2104-M2107 WeakPolarHBondContact O-CE 3.48Å; M2107-I2109 HydrophobicContact CB-CG1 4.47Å; M2107-T2124 HydrophobicContact CE-CG2 3.58Å; M2107-T2124 HydrophobicContact SD-CG2 4.26Å; M2107-V2129 PolarHBondContact N-O 2.97Å; M2107-L2130 HydrophobicContact CB-CG 4.41Å; M2107-L2130 CarbonylContact O-C 3.54Å; M2107-L2130 VanDerWaalsContact O-CA 3.27Å; M2107-L2130 WeakPolarHBondContact O-CA 3.44Å; M2107-I2131 PolarHBondContact O-N 3.2Å
2108I95.9Very high84Confident0 Ų019.3 Ų19.30%09%0.09CC..EExtended strand (participates in β ladder)trans-83.1132.5168.6-57170.6000107.5A2013 I2014 F2015 F2040 L2044 F2082 I2131 I2133 V2172A2013-I2108 PolarHBondContact O-N 2.81Å; I2014-I2108 WeakPolarHBondContact CA-O 3.45Å; I2014-I2108 HydrophobicContact CG1-CB 4.32Å; I2014-I2108 HydrophobicContact CG1-CD1 4.43Å; I2014-I2108 HydrophobicContact CG2-CB 4.47Å; I2014-I2108 HydrophobicContact CG2-CG2 4.42Å; F2015-I2108 PolarHBondContact N-O 2.98Å; F2040-I2108 HydrophobicContact CE1-CG2 4.1Å; F2040-I2108 HydrophobicContact CZ-CG2 4.06Å; L2044-I2108 HydrophobicContact CD1-CD1 4.47Å; F2082-I2108 HydrophobicContact CE1-CD1 4.29Å; I2108-I2131 CarbonylContact C-O 3.49Å; I2108-I2131 WeakPolarHBondContact CA-O 3.18Å; I2108-I2131 HydrophobicContact CG1-CB 4.46Å; I2108-I2133 HydrophobicContact CG2-CD1 3.93Å; I2108-V2172 HydrophobicContact CD1-CG1 3.84Å; I2108-V2172 HydrophobicContact CG1-CG1 4.31Å
2109I94.4Very high83.9Confident1 Ų121.9 Ų21.91%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-131.9107.2-175.5-53-175.9000108.7F2015 V2017 M2107 F2117 L2130 I2131 I2132 I2133F2015-I2109 HydrophobicContact CB-CG1 4.38Å; F2015-I2109 HydrophobicContact CB-CG2 4.37Å; F2015-I2109 HydrophobicContact CD2-CG1 4.28Å; V2017-I2109 HydrophobicContact CG2-CG2 3.98Å; M2107-I2109 HydrophobicContact CB-CG1 4.47Å; I2109-F2117 HydrophobicContact CD1-CD1 3.54Å; I2109-F2117 HydrophobicContact CD1-CD2 4.48Å; I2109-F2117 HydrophobicContact CD1-CE1 3.34Å; I2109-F2117 HydrophobicContact CD1-CE2 4.31Å; I2109-F2117 HydrophobicContact CD1-CG 4.12Å; I2109-F2117 HydrophobicContact CD1-CZ 3.77Å; I2109-F2117 HydrophobicContact CG2-CB 4.26Å; I2109-F2117 HydrophobicContact CG2-CD1 4.34Å; I2109-F2117 HydrophobicContact CG2-CD2 3.89Å; I2109-F2117 HydrophobicContact CG2-CE2 4.36Å; I2109-F2117 HydrophobicContact CG2-CG 3.87Å; I2109-L2130 HydrophobicContact CD1-CD2 3.81Å; I2109-L2130 HydrophobicContact CD1-CG 3.97Å; I2109-I2131 PolarHBondContact N-O 2.99Å; I2109-I2132 HydrophobicContact CB-CG1 4.37Å; I2109-I2132 CarbonylContact O-C 3.46Å; I2109-I2132 WeakPolarHBondContact O-CA 3.33Å; I2109-I2133 PolarHBondContact O-N 3.2Å
2110W95.7Very high83.6Confident1 Ų118 Ų180%0.0049%0.087CC..EExtended strand (participates in β ladder)trans-82.8121.6171.2-170-84.9000109.4F2015 Y2016 V2017 E2036 F2037 F2040 E2112 I2133 F2141 L2168F2015-W2110 PolarHBondContact O-N 3.49Å; Y2016-W2110 HydrophobicContact CD2-CB 4.42Å; Y2016-W2110 AromaticContact CD2-CD1 3.65Å; Y2016-W2110 HydrophobicContact CD2-CG 4.29Å; Y2016-W2110 AromaticContact CE2-CD1 3.72Å; V2017-W2110 WeakPolarHBondContact CB-O 3.44Å; V2017-W2110 PolarHBondContact N-O 2.85Å; E2036-W2110 HydrophobicContact CB-CH2 4.15Å; E2036-W2110 HydrophobicContact CB-CZ2 3.62Å; F2037-W2110 HydrophobicContact CB-CD2 4.16Å; F2037-W2110 HydrophobicContact CB-CG 4.24Å; F2037-W2110 HydrophobicContact CD2-CB 3.49Å; F2037-W2110 VanDerWaalsContact CD2-CB 3.49Å; F2037-W2110 AromaticContact CD2-CD2 3.88Å; F2037-W2110 HydrophobicContact CD2-CD2 3.88Å; F2037-W2110 HydrophobicContact CD2-CE3 4.31Å; F2037-W2110 AromaticContact CD2-CG 3.52Å; F2037-W2110 HydrophobicContact CD2-CG 3.52Å; F2037-W2110 HydrophobicContact CE2-CB 3.84Å; F2037-W2110 HydrophobicContact CE2-CG 4.36Å; F2037-W2110 HydrophobicContact CG-CG 4.35Å; F2040-W2110 HydrophobicContact CB-CE3 4.27Å; F2040-W2110 HydrophobicContact CB-CH2 4Å; F2040-W2110 HydrophobicContact CB-CZ3 3.51Å; F2040-W2110 AromaticContact CD1-CE3 3.71Å; F2040-W2110 HydrophobicContact CD1-CE3 3.71Å; F2040-W2110 AromaticContact CD1-CZ3 3.75Å; F2040-W2110 HydrophobicContact CD1-CZ3 3.75Å; F2040-W2110 HydrophobicContact CD2-CZ3 4.12Å; F2040-W2110 HydrophobicContact CE1-CE3 4.25Å; F2040-W2110 AromaticContact CG-CE3 4Å; F2040-W2110 HydrophobicContact CG-CE3 4Å; F2040-W2110 HydrophobicContact CG-CH2 4.46Å; F2040-W2110 AromaticContact CG-CZ3 3.52Å; F2040-W2110 HydrophobicContact CG-CZ3 3.52Å; W2110-E2112 VanDerWaalsContact CD1-CG 3.49Å; W2110-E2112 VanDerWaalsContact NE1-CG 3.28Å; W2110-E2112 PolarHBondContact NE1-OE1 3.48Å; W2110-I2133 HydrophobicContact CD2-CG2 4.5Å; W2110-I2133 HydrophobicContact CE3-CB 4.02Å; W2110-I2133 HydrophobicContact CE3-CD1 4.3Å; W2110-I2133 HydrophobicContact CE3-CG2 3.73Å; W2110-I2133 HydrophobicContact CH2-CG2 4.45Å; W2110-I2133 HydrophobicContact CZ3-CB 4.47Å; W2110-I2133 HydrophobicContact CZ3-CG2 3.7Å; W2110-F2141 AromaticContact CH2-CD1 3.71Å; W2110-F2141 HydrophobicContact CH2-CD1 3.71Å; W2110-F2141 AromaticContact CH2-CE1 3.43Å; W2110-F2141 HydrophobicContact CH2-CE1 3.43Å; W2110-F2141 VanDerWaalsContact CH2-CE1 3.43Å; W2110-F2141 HydrophobicContact CH2-CZ 4.46Å; W2110-F2141 HydrophobicContact CZ2-CD1 4.26Å; W2110-F2141 AromaticContact CZ2-CE1 3.81Å; W2110-F2141 HydrophobicContact CZ2-CE1 3.81Å; W2110-F2141 HydrophobicContact CZ3-CD1 4.37Å; W2110-F2141 HydrophobicContact CZ3-CE1 4.46Å; W2110-L2168 HydrophobicContact CH2-CD2 4.49Å; W2110-L2168 HydrophobicContact CZ3-CD2 4.12Å
2111N91.8Very high83.6Confident5 Ų517.5 Ų17.53%0.0279%0.085CC..EExtended strand (participates in β ladder)trans-121.899-172.3-17796.6000110.8N2113 F2117 I2132 I2133 P2135N2111-N2113 PolarHBondContact ND2-O 3Å; N2111-F2117 PolarHBondContact OD1-N 2.65Å; N2111-I2132 HydrophobicContact CB-CG2 4.22Å; N2111-I2133 PolarHBondContact N-O 2.89Å; N2111-P2135 WeakPolarHBondContact O-CD 3.5Å
2112E88.9Confident83.4Confident12 Ų1217.8 Ų17.86%0.0569%0.087CC..  trans-93.11168.9-47.1-159.1148.400112.2K1022 Y2016 V2017 S2034 W2110 P2135K1022-E2112 IonicContact NZ-OE1 2.68Å; K1022-E2112 PolarHBondContact NZ-OE1 3.24Å; K1022-E2112 IonicContact NZ-OE2 3.35Å; K1022-E2112 PolarHBondContact NZ-OE2 3.37Å; Y2016-E2112 HydrophobicContact CE2-CG 3.96Å; Y2016-E2112 PolarHBondContact OH-OE2 3.13Å; V2017-E2112 PolarHBondContact O-N 3.37Å; S2034-E2112 VanDerWaalsContact CB-OE1 3.24Å; S2034-E2112 WeakPolarHBondContact CB-OE1 3.27Å; S2034-E2112 VanDerWaalsContact CB-OE2 3.31Å; S2034-E2112 WeakPolarHBondContact CB-OE2 3.32Å; S2034-E2112 VanDerWaalsContact OG-CD 3.27Å; S2034-E2112 PolarHBondContact OG-OE1 3.18Å; S2034-E2112 PolarHBondContact OG-OE2 3.01Å; W2110-E2112 VanDerWaalsContact CD1-CG 3.49Å; W2110-E2112 VanDerWaalsContact NE1-CG 3.28Å; W2110-E2112 PolarHBondContact NE1-OE1 3.48Å; E2112-P2135 HydrophobicContact CG-CG 4.29Å
2113N81.3Confident83Confident4 Ų426.4 Ų26.42%0.02112%0.119CC..SBendtrans-76.6140.7175.8-164.512.1000112.2V2017 G2018 G2020 Q2021 N2111 R2115V2017-N2113 HydrophobicContact CG1-CB 4.01Å; G2018-N2113 WeakPolarHBondContact O-CB 3.4Å; G2020-N2113 WeakPolarHBondContact CA-OD1 3.44Å; G2020-N2113 PolarHBondContact N-OD1 3.05Å; Q2021-N2113 VanDerWaalsContact C-ND2 3.29Å; Q2021-N2113 PolarHBondContact N-ND2 3.4Å; Q2021-N2113 PolarHBondContact O-ND2 3.47Å; N2111-N2113 PolarHBondContact ND2-O 3Å; N2113-R2115 CarbonylContact O-C 3.3Å; N2113-R2115 PolarHBondContact O-N 2.99Å
2114S67.2Low82.6Confident19 Ų1925 Ų2513%0.13311%0.113CC..SBendtrans-58.3-29-178.345.80000114.7L1018 E1019L1018-S2114 CarbonylContact C-O 3.59Å; L1018-S2114 CarbonylContact O-C 3.59Å; L1018-S2114 VanDerWaalsContact O-CA 3.29Å; L1018-S2114 WeakPolarHBondContact O-CA 3.22Å; E1019-S2114 VanDerWaalsContact CG-CB 3.43Å
2115R71.6Confident81.7Confident21 Ų2133.9 Ų33.98%0.07915%0.154CC..SBendtrans-96.4122.9167.5-58.1-167.6-170-83.4-19.4108.9R1159 D1219 E2022 N2113R1159-R2115 PolarHBondContact O-NH1 3.38Å; D1219-R2115 IonicContact OD1-CZ 3.19Å; D1219-R2115 IonicContact OD1-NH1 3.76Å; D1219-R2115 PolarHBondContact OD1-NH1 2.84Å; D1219-R2115 VanDerWaalsContact OD1-NH1 3.14Å; D1219-R2115 IonicContact OD1-NH2 3.13Å; D1219-R2115 PolarHBondContact OD1-NH2 3.19Å; D1219-R2115 IonicContact OD2-CZ 2.68Å; D1219-R2115 IonicContact OD2-NH1 2.63Å; D1219-R2115 PolarHBondContact OD2-NH1 3.2Å; D1219-R2115 IonicContact OD2-NH2 2.78Å; D1219-R2115 PolarHBondContact OD2-NH2 2.92Å; E2022-R2115 WeakPolarHBondContact OE1-CD 3.18Å; E2022-R2115 IonicContact OE1-NE 2.62Å; E2022-R2115 PolarHBondContact OE1-NE 3.43Å; N2113-R2115 CarbonylContact O-C 3.3Å; N2113-R2115 PolarHBondContact O-N 2.99Å
2116A71.4Confident81Confident3 Ų335.3 Ų35.33%0.02516%0.16CC..PPolyproline II helixtrans-62.3148.2176.500000112.4I1016 R2118I1016-A2116 HydrophobicContact CB-CB 4.3Å; I1016-A2116 HydrophobicContact CG2-CB 3.84Å; A2116-R2118 PolarHBondContact O-N 3.17Å
2117F80.2Confident80.2Confident3 Ų335.3 Ų35.31%0.01316%0.16CC..PPolyproline II helixtrans-54.5133.1-168-177.3-96.4000114.7V2017 I2109 N2111 I2121 L2122 L2130 I2132 R2146V2017-F2117 HydrophobicContact CG2-CD2 4.18Å; I2109-F2117 HydrophobicContact CD1-CD1 3.54Å; I2109-F2117 HydrophobicContact CD1-CD2 4.48Å; I2109-F2117 HydrophobicContact CD1-CE1 3.34Å; I2109-F2117 HydrophobicContact CD1-CE2 4.31Å; I2109-F2117 HydrophobicContact CD1-CG 4.12Å; I2109-F2117 HydrophobicContact CD1-CZ 3.77Å; I2109-F2117 HydrophobicContact CG2-CB 4.26Å; I2109-F2117 HydrophobicContact CG2-CD1 4.34Å; I2109-F2117 HydrophobicContact CG2-CD2 3.89Å; I2109-F2117 HydrophobicContact CG2-CE2 4.36Å; I2109-F2117 HydrophobicContact CG2-CG 3.87Å; N2111-F2117 PolarHBondContact OD1-N 2.65Å; F2117-I2121 HydrophobicContact CD2-CD1 4.37Å; F2117-I2121 HydrophobicContact CE2-CB 4.2Å; F2117-I2121 HydrophobicContact CE2-CD1 4.25Å; F2117-I2121 HydrophobicContact CZ-CB 4.39Å; F2117-L2122 HydrophobicContact CE2-CD1 3.87Å; F2117-L2122 HydrophobicContact CE2-CG 3.96Å; F2117-L2122 HydrophobicContact CZ-CB 3.95Å; F2117-L2122 HydrophobicContact CZ-CD1 3.71Å; F2117-L2122 HydrophobicContact CZ-CG 3.72Å; F2117-L2130 HydrophobicContact CD1-CD2 4.2Å; F2117-L2130 HydrophobicContact CE1-CD2 3.86Å; F2117-I2132 HydrophobicContact CB-CD1 4.29Å; F2117-I2132 HydrophobicContact CB-CG2 4.17Å; F2117-I2132 HydrophobicContact CD1-CD1 4.23Å; F2117-R2146 PolarHBondContact O-NH1 2.93Å
2118R77.9Confident79.7Confident38 Ų3836.8 Ų36.814%0.14317%0.168CC..  trans-105.9123177.1-57.1175.5-60.9-151.8-4.4110.3I1016 E2022 A2116 S2120 I2121I1016-R2118 HydrophobicContact CD1-CG 3.94Å; E2022-R2118 IonicContact OE2-CZ 3.88Å; E2022-R2118 IonicContact OE2-NH1 3.51Å; E2022-R2118 PolarHBondContact OE2-NH1 3.35Å; E2022-R2118 IonicContact OE2-NH2 3.17Å; E2022-R2118 PolarHBondContact OE2-NH2 2.99Å; A2116-R2118 PolarHBondContact O-N 3.17Å; R2118-S2120 PolarHBondContact O-N 2.84Å; R2118-I2121 HydrophobicContact CB-CD1 3.98Å; R2118-I2121 HydrophobicContact CB-CG1 4.14Å; R2118-I2121 WeakPolarHBondContact O-CB 3.32Å; R2118-I2121 WeakPolarHBondContact O-CG1 3.33Å; R2118-I2121 PolarHBondContact O-N 3.5Å
2119R75.5Confident79.4Confident82 Ų8236.8 Ų36.831%0.30917%0.168SC..THydrogen-bonded Turntrans-57.2-17.8176.7-172.5174.8177.5126.28113.5I2121 F2126 G2127 L2130R2119-I2121 PolarHBondContact O-N 2.83Å; R2119-F2126 PolarHBondContact NH2-O 3.04Å; R2119-F2126 VanDerWaalsContact NH2-O 3.12Å; R2119-G2127 PolarHBondContact NH1-O 2.7Å; R2119-G2127 PolarHBondContact NH2-O 2.89Å; R2119-L2130 HydrophobicContact CB-CD2 4.36Å; R2119-L2130 HydrophobicContact CG-CD2 4.33Å; R2119-L2130 VanDerWaalsContact NH1-CD1 3.3Å
2120S72.5Confident79.3Confident34 Ų3437 Ų3724%0.23817%0.169CC..THydrogen-bonded Turntrans-69.4-12.7173.757.30000115R2118 R2123R2118-S2120 PolarHBondContact O-N 2.84Å; S2120-R2123 VanDerWaalsContact O-CG 3.27Å; S2120-R2123 WeakPolarHBondContact O-CG 3.42Å; S2120-R2123 PolarHBondContact O-NE 3.07Å
2121I78.7Confident79.2Confident24 Ų2437 Ų3712%0.12317%0.169CC..THydrogen-bonded Turntrans-81.8-59.8178.3-56.8166.4000109.9E2022 K2024 I2027 F2117 R2118 R2119 R2123E2022-I2121 WeakPolarHBondContact O-CD1 3.45Å; E2022-I2121 WeakPolarHBondContact O-CG1 3.43Å; K2024-I2121 HydrophobicContact CB-CG2 4.49Å; I2027-I2121 HydrophobicContact CD1-CG2 3.79Å; F2117-I2121 HydrophobicContact CD2-CD1 4.37Å; F2117-I2121 HydrophobicContact CE2-CB 4.2Å; F2117-I2121 HydrophobicContact CE2-CD1 4.25Å; F2117-I2121 HydrophobicContact CZ-CB 4.39Å; R2118-I2121 HydrophobicContact CB-CD1 3.98Å; R2118-I2121 HydrophobicContact CB-CG1 4.14Å; R2118-I2121 WeakPolarHBondContact O-CB 3.32Å; R2118-I2121 WeakPolarHBondContact O-CG1 3.33Å; R2118-I2121 PolarHBondContact O-N 3.5Å; R2119-I2121 PolarHBondContact O-N 2.83Å; I2121-R2123 PolarHBondContact O-N 3.35Å
2122L78.1Confident79.2Confident7 Ų736.8 Ų36.84%0.03717%0.168CC..SBendtrans-93.666178.3-56.3177.1000111.1F2015 K2024 I2027 Y2098 F2117 T2124F2015-L2122 HydrophobicContact CB-CD1 4.26Å; F2015-L2122 HydrophobicContact CD1-CD1 3.5Å; F2015-L2122 VanDerWaalsContact CD1-CD1 3.5Å; F2015-L2122 HydrophobicContact CD2-CD1 3.94Å; F2015-L2122 HydrophobicContact CE1-CD1 3.68Å; F2015-L2122 HydrophobicContact CE1-CD2 4.39Å; F2015-L2122 HydrophobicContact CE2-CD1 4.11Å; F2015-L2122 HydrophobicContact CG-CD1 3.62Å; F2015-L2122 HydrophobicContact CZ-CD1 3.97Å; K2024-L2122 HydrophobicContact CG-CD2 4.09Å; I2027-L2122 HydrophobicContact CG2-CD2 4.42Å; Y2098-L2122 HydrophobicContact CE2-CB 4.46Å; Y2098-L2122 HydrophobicContact CE2-CD2 4.24Å; Y2098-L2122 PolarHBondContact OH-O 3.46Å; F2117-L2122 HydrophobicContact CE2-CD1 3.87Å; F2117-L2122 HydrophobicContact CE2-CG 3.96Å; F2117-L2122 HydrophobicContact CZ-CB 3.95Å; F2117-L2122 HydrophobicContact CZ-CD1 3.71Å; F2117-L2122 HydrophobicContact CZ-CG 3.72Å; L2122-T2124 PolarHBondContact O-N 3.08Å
2123R70.5Confident79.5Confident182 Ų18236.2 Ų36.269%0.68717%0.165SC*.  trans-69.1113-179.9-59.1-175.6-170.7-164.8-1.3111.2Y2098 S2120 I2121Y2098-R2123 PolarHBondContact OH-N 3.19Å; Y2098-R2123 PolarHBondContact OH-O 3.19Å; S2120-R2123 VanDerWaalsContact O-CG 3.27Å; S2120-R2123 WeakPolarHBondContact O-CG 3.42Å; S2120-R2123 PolarHBondContact O-NE 3.07Å; I2121-R2123 PolarHBondContact O-N 3.35Å
2124T77.7Confident79.9Confident39 Ų3936.4 Ų36.424%0.23917%0.167CC..  trans-124.6169.2169.8178.50000110.7G2102 M2107 L2122 F2126G2102-T2124 WeakPolarHBondContact O-CB 3.48Å; G2102-T2124 PolarHBondContact O-OG1 2.85Å; M2107-T2124 HydrophobicContact CE-CG2 3.58Å; M2107-T2124 HydrophobicContact SD-CG2 4.26Å; L2122-T2124 PolarHBondContact O-N 3.08Å; T2124-F2126 VanDerWaalsContact CG2-O 3.25Å; T2124-F2126 WeakPolarHBondContact CG2-O 3.39Å; T2124-F2126 PolarHBondContact OG1-N 3.33Å
2125Q68.4Low80.9Confident186 Ų18636.2 Ų36.287%0.86917%0.165SC*.SBendtrans-88.3-6.2165.6-63.6-1773.500112.6
2126F76.6Confident81.4Confident76 Ų7636 Ų3633%0.33317%0.166SC..  trans-108.5-149.3174.4-54.1-85.8000109.5N2103 D2104 R2119 T2124N2103-F2126 HydrophobicContact CB-CD2 4.45Å; N2103-F2126 HydrophobicContact CB-CE2 4.41Å; N2103-F2126 WeakPolarHBondContact OD1-CE2 3.45Å; D2104-F2126 WeakPolarHBondContact O-CB 3.27Å; R2119-F2126 PolarHBondContact NH2-O 3.04Å; R2119-F2126 VanDerWaalsContact NH2-O 3.12Å; T2124-F2126 VanDerWaalsContact CG2-O 3.25Å; T2124-F2126 WeakPolarHBondContact CG2-O 3.39Å; T2124-F2126 PolarHBondContact OG1-N 3.33Å
2127G76.7Confident81.5Confident0 Ų041.7 Ų41.70%020%0.195CC..  trans64.444.6-177.500000112.2D2104 E2105 R2119 V2129 L2130D2104-G2127 PolarHBondContact O-N 3.22Å; E2105-G2127 CarbonylContact O-C 3.59Å; E2105-G2127 VanDerWaalsContact O-C 3.27Å; E2105-G2127 WeakPolarHBondContact O-CA 3.3Å; R2119-G2127 PolarHBondContact NH1-O 2.7Å; R2119-G2127 PolarHBondContact NH2-O 2.89Å; G2127-V2129 PolarHBondContact O-N 3.2Å; G2127-V2129 VanDerWaalsContact O-N 3.14Å; G2127-L2130 VanDerWaalsContact O-CD1 3.23Å; G2127-L2130 WeakPolarHBondContact O-CD1 3.28Å
2128D83.1Confident81.3Confident35 Ų3544.6 Ų44.619%0.18721%0.211CC..SBendtrans-58.4-24.4-179.6-53.2-31.4000112.1E2105 R2147 E2148 V2151 V2183E2105-D2128 PolarHBondContact O-N 3.08Å; D2128-R2147 CarbonylContact O-C 3.51Å; D2128-R2147 WeakPolarHBondContact O-CA 3.23Å; D2128-E2148 PolarHBondContact O-N 3.37Å; D2128-V2151 HydrophobicContact CB-CG2 3.98Å; D2128-V2183 HydrophobicContact CB-CG1 4.49Å; D2128-V2183 HydrophobicContact CB-CG2 3.99Å; D2128-V2183 WeakPolarHBondContact OD2-CG1 3.45Å
2129V89.1Confident81.4Confident0 Ų044.7 Ų44.70%022%0.223CC..EExtended strand (participates in β ladder)trans-128.9134.5170.6-179.90000111.4E2105 I2106 M2107 G2127 I2131 V2145 R2146 R2147 V2151 F2154 A2179 V2183E2105-V2129 PolarHBondContact O-N 3.03Å; E2105-V2129 VanDerWaalsContact O-N 3.11Å; I2106-V2129 WeakPolarHBondContact CA-O 3.49Å; I2106-V2129 HydrophobicContact CD1-CB 3.76Å; I2106-V2129 HydrophobicContact CD1-CG2 3.94Å; I2106-V2129 HydrophobicContact CG2-CB 4.46Å; I2106-V2129 HydrophobicContact CG2-CG1 4.49Å; M2107-V2129 PolarHBondContact N-O 2.97Å; G2127-V2129 PolarHBondContact O-N 3.2Å; G2127-V2129 VanDerWaalsContact O-N 3.14Å; V2129-I2131 HydrophobicContact CG1-CG1 4.25Å; V2129-V2145 HydrophobicContact CG1-CG1 4.33Å; V2129-R2146 CarbonylContact C-O 3.16Å; V2129-R2146 WeakPolarHBondContact CA-O 3.36Å; V2129-R2147 HydrophobicContact CG2-CB 4.05Å; V2129-V2151 HydrophobicContact CG2-CG1 4.05Å; V2129-F2154 HydrophobicContact CB-CZ 4.38Å; V2129-F2154 HydrophobicContact CG1-CE1 4.49Å; V2129-F2154 HydrophobicContact CG1-CE2 4.27Å; V2129-F2154 HydrophobicContact CG1-CZ 3.61Å; V2129-F2154 HydrophobicContact CG2-CE1 3.86Å; V2129-F2154 HydrophobicContact CG2-CZ 3.81Å; V2129-A2179 HydrophobicContact CB-CB 4.46Å; V2129-A2179 HydrophobicContact CG1-CB 4.17Å; V2129-A2179 HydrophobicContact CG2-CB 4.26Å; V2129-V2183 HydrophobicContact CG2-CG2 4.21Å
2130L91.6Very high82.1Confident6 Ų640.8 Ų40.83%0.03121%0.209CC..EExtended strand (participates in β ladder)trans-114.6133.2167.9-77.562.8000109M2107 I2109 F2117 R2119 G2127 I2132 R2146M2107-L2130 HydrophobicContact CB-CG 4.41Å; M2107-L2130 CarbonylContact O-C 3.54Å; M2107-L2130 VanDerWaalsContact O-CA 3.27Å; M2107-L2130 WeakPolarHBondContact O-CA 3.44Å; I2109-L2130 HydrophobicContact CD1-CD2 3.81Å; I2109-L2130 HydrophobicContact CD1-CG 3.97Å; F2117-L2130 HydrophobicContact CD1-CD2 4.2Å; F2117-L2130 HydrophobicContact CE1-CD2 3.86Å; R2119-L2130 HydrophobicContact CB-CD2 4.36Å; R2119-L2130 HydrophobicContact CG-CD2 4.33Å; R2119-L2130 VanDerWaalsContact NH1-CD1 3.3Å; G2127-L2130 VanDerWaalsContact O-CD1 3.23Å; G2127-L2130 WeakPolarHBondContact O-CD1 3.28Å; L2130-I2132 HydrophobicContact CB-CG1 4.39Å; L2130-R2146 HydrophobicContact CB-CB 4.41Å; L2130-R2146 PolarHBondContact N-O 3.01Å; L2130-R2146 PolarHBondContact O-N 3.33Å
2131I93.8Very high82.9Confident0 Ų040 Ų400%020%0.201CC..EExtended strand (participates in β ladder)trans-114.7101.1170.4-57.2177.7000107M2107 I2108 I2109 V2129 V2143 V2145 V2172 T2175 A2176M2107-I2131 PolarHBondContact O-N 3.2Å; I2108-I2131 CarbonylContact C-O 3.49Å; I2108-I2131 WeakPolarHBondContact CA-O 3.18Å; I2108-I2131 HydrophobicContact CG1-CB 4.46Å; I2109-I2131 PolarHBondContact N-O 2.99Å; V2129-I2131 HydrophobicContact CG1-CG1 4.25Å; I2131-V2143 HydrophobicContact CG2-CG1 3.57Å; I2131-V2145 HydrophobicContact CG1-CG2 4.48Å; I2131-V2172 HydrophobicContact CG2-CG1 4.32Å; I2131-T2175 HydrophobicContact CD1-CG2 4.13Å; I2131-A2176 HydrophobicContact CD1-CB 4.04Å
2132I92.9Very high83.3Confident1 Ų139.1 Ų39.11%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-94.7121.3-175.3-54.6165000108.4I2109 N2111 F2117 L2130 V2143 E2144 R2146I2109-I2132 HydrophobicContact CB-CG1 4.37Å; I2109-I2132 CarbonylContact O-C 3.46Å; I2109-I2132 WeakPolarHBondContact O-CA 3.33Å; N2111-I2132 HydrophobicContact CB-CG2 4.22Å; F2117-I2132 HydrophobicContact CB-CD1 4.29Å; F2117-I2132 HydrophobicContact CB-CG2 4.17Å; F2117-I2132 HydrophobicContact CD1-CD1 4.23Å; L2130-I2132 HydrophobicContact CB-CG1 4.39Å; I2132-V2143 CarbonylContact O-C 3.46Å; I2132-V2143 WeakPolarHBondContact O-CA 3.11Å; I2132-E2144 HydrophobicContact CB-CB 4.36Å; I2132-E2144 PolarHBondContact N-O 3.15Å; I2132-E2144 PolarHBondContact O-N 3Å; I2132-R2146 HydrophobicContact CD1-CG 4.41Å; I2132-R2146 VanDerWaalsContact CD1-CZ 3.47Å
2133I94.2Very high83.9Confident0 Ų038.8 Ų38.80%020%0.195CC..EExtended strand (participates in β ladder)trans-110.3121.8179.6-55.2172.2000108.1F2040 I2108 I2109 W2110 N2111 F2141 K2142 V2143 L2168 V2172F2040-I2133 HydrophobicContact CD2-CD1 4.38Å; F2040-I2133 HydrophobicContact CE1-CD1 3.84Å; F2040-I2133 HydrophobicContact CE2-CD1 3.61Å; F2040-I2133 HydrophobicContact CZ-CD1 3.29Å; I2108-I2133 HydrophobicContact CG2-CD1 3.93Å; I2109-I2133 PolarHBondContact O-N 3.2Å; W2110-I2133 HydrophobicContact CD2-CG2 4.5Å; W2110-I2133 HydrophobicContact CE3-CB 4.02Å; W2110-I2133 HydrophobicContact CE3-CD1 4.3Å; W2110-I2133 HydrophobicContact CE3-CG2 3.73Å; W2110-I2133 HydrophobicContact CH2-CG2 4.45Å; W2110-I2133 HydrophobicContact CZ3-CB 4.47Å; W2110-I2133 HydrophobicContact CZ3-CG2 3.7Å; N2111-I2133 PolarHBondContact N-O 2.89Å; I2133-F2141 HydrophobicContact CG2-CB 4.38Å; I2133-F2141 HydrophobicContact CG2-CD1 4.39Å; I2133-K2142 CarbonylContact C-O 3.46Å; I2133-K2142 WeakPolarHBondContact CA-O 3.47Å; I2133-V2143 HydrophobicContact CG1-CG1 4.27Å; I2133-V2143 HydrophobicContact CG1-CG2 4.34Å; I2133-L2168 HydrophobicContact CD1-CD1 4.42Å; I2133-L2168 HydrophobicContact CG2-CD1 4.37Å; I2133-L2168 HydrophobicContact CG2-CD2 4.2Å; I2133-V2172 HydrophobicContact CD1-CG1 4.36Å; I2133-V2172 HydrophobicContact CD1-CG2 3.99Å
2134S90.1Very high84.7Confident9 Ų931.1 Ų31.16%0.06317%0.166CC..EExtended strand (participates in β ladder)trans-119.6122.3175.2-53.20000109.5K2142S2134-K2142 PolarHBondContact N-O 3.2Å; S2134-K2142 PolarHBondContact O-N 3.41Å
2135P88.8Confident85.1Confident14 Ų1429.7 Ų29.79%0.09116%0.158CC..EExtended strand (participates in β ladder)trans-66.214817228.8-33000110.3V1020 N2111 E2112 F2141V1020-P2135 WeakPolarHBondContact CG2-O 3.21Å; N2111-P2135 WeakPolarHBondContact O-CD 3.5Å; E2112-P2135 HydrophobicContact CG-CG 4.29Å; P2135-F2141 HydrophobicContact CB-CD1 4.02Å; P2135-F2141 HydrophobicContact CB-CE1 3.84Å
2136L82.6Confident85.9Confident16 Ų1622.7 Ų22.78%0.08412%0.123CC..  trans-111.1149.6178.3-55.9179.8000110.5L1018 N2138 G2139 L2140 K2142 I2162L1018-L2136 HydrophobicContact CD1-CD2 3.38Å; L2136-N2138 VanDerWaalsContact CB-OD1 3.26Å; L2136-N2138 WeakPolarHBondContact CB-OD1 2.85Å; L2136-N2138 PolarHBondContact O-N 3.39Å; L2136-G2139 PolarHBondContact O-N 3.28Å; L2136-L2140 VanDerWaalsContact CB-O 3.26Å; L2136-L2140 WeakPolarHBondContact CB-O 3.48Å; L2136-L2140 HydrophobicContact CD1-CB 4.15Å; L2136-L2140 WeakPolarHBondContact CG-O 3.42Å; L2136-L2140 PolarHBondContact N-O 3.43Å; L2136-K2142 HydrophobicContact CD1-CB 4.35Å; L2136-K2142 HydrophobicContact CD2-CB 4.02Å; L2136-K2142 HydrophobicContact CG-CB 4.33Å; L2136-I2162 HydrophobicContact CD1-CG2 4.07Å
2137L73Confident86.3Confident124 Ų12421.1 Ų21.165%0.64912%0.115SC*.THydrogen-bonded Turntrans-58.6-17.7179.8-66.3172.7000114.3V1020V1020-L2137 HydrophobicContact CB-CD2 4.49Å; V1020-L2137 HydrophobicContact CG1-CD2 4.14Å; V1020-L2137 HydrophobicContact CG2-CD2 4.46Å
2138N74.9Confident86.4Confident64 Ų6424.6 Ų24.634%0.34213%0.131SC..THydrogen-bonded Turntrans-90.41.9176.765.66.1000114H1307 F1308 L2136 L2140H1307-N2138 PolarHBondContact NE2-O 2.93Å; F1308-N2138 HydrophobicContact CZ-CB 4.07Å; L2136-N2138 VanDerWaalsContact CB-OD1 3.26Å; L2136-N2138 WeakPolarHBondContact CB-OD1 2.85Å; L2136-N2138 PolarHBondContact O-N 3.39Å; N2138-L2140 WeakPolarHBondContact OD1-CB 3Å; N2138-L2140 PolarHBondContact OD1-N 3.35Å
2139G80.7Confident85.7Confident39 Ų3927 Ų2740%0.40216%0.156SC..SBendtrans83.76.7-17900000115.4L2136 F2141L2136-G2139 PolarHBondContact O-N 3.28Å; G2139-F2141 WeakPolarHBondContact O-CE2 3.41Å
2140L89Confident84.6Confident0 Ų032.5 Ų32.50%018%0.182CC..  trans-91.3170.5166.8-64.7172.9000110.9C1303 Y1304 H1307 F1308 L2136 N2138 I2162 T2164C1303-L2140 HydrophobicContact CB-CD2 4.36Å; Y1304-L2140 HydrophobicContact CD2-CD1 4.27Å; Y1304-L2140 HydrophobicContact CE2-CD1 3.99Å; H1307-L2140 HydrophobicContact CB-CD2 3.93Å; F1308-L2140 HydrophobicContact CE2-CD1 3.93Å; F1308-L2140 HydrophobicContact CZ-CD1 4.32Å; L2136-L2140 VanDerWaalsContact CB-O 3.26Å; L2136-L2140 WeakPolarHBondContact CB-O 3.48Å; L2136-L2140 HydrophobicContact CD1-CB 4.15Å; L2136-L2140 WeakPolarHBondContact CG-O 3.42Å; L2136-L2140 PolarHBondContact N-O 3.43Å; N2138-L2140 WeakPolarHBondContact OD1-CB 3Å; N2138-L2140 PolarHBondContact OD1-N 3.35Å; L2140-I2162 HydrophobicContact CB-CG2 3.73Å; L2140-I2162 HydrophobicContact CD1-CG2 3.82Å; L2140-I2162 HydrophobicContact CG-CG2 4.3Å; L2140-T2164 HydrophobicContact CD2-CG2 3.49Å; L2140-T2164 VanDerWaalsContact CD2-CG2 3.49Å
2141F90.3Very high83.6Confident18 Ų1832.5 Ų32.58%0.07918%0.182CC..EExtended strand (participates in β ladder)trans-127.7125.5-177.8-61-95.6000110.2E2036 W2110 I2133 P2135 G2139 I2162 L2163 A2165 L2168E2036-F2141 HydrophobicContact CB-CE1 4.5Å; W2110-F2141 AromaticContact CH2-CD1 3.71Å; W2110-F2141 HydrophobicContact CH2-CD1 3.71Å; W2110-F2141 AromaticContact CH2-CE1 3.43Å; W2110-F2141 HydrophobicContact CH2-CE1 3.43Å; W2110-F2141 VanDerWaalsContact CH2-CE1 3.43Å; W2110-F2141 HydrophobicContact CH2-CZ 4.46Å; W2110-F2141 HydrophobicContact CZ2-CD1 4.26Å; W2110-F2141 AromaticContact CZ2-CE1 3.81Å; W2110-F2141 HydrophobicContact CZ2-CE1 3.81Å; W2110-F2141 HydrophobicContact CZ3-CD1 4.37Å; W2110-F2141 HydrophobicContact CZ3-CE1 4.46Å; I2133-F2141 HydrophobicContact CG2-CB 4.38Å; I2133-F2141 HydrophobicContact CG2-CD1 4.39Å; P2135-F2141 HydrophobicContact CB-CD1 4.02Å; P2135-F2141 HydrophobicContact CB-CE1 3.84Å; G2139-F2141 WeakPolarHBondContact O-CE2 3.41Å; F2141-I2162 CarbonylContact O-C 3.58Å; F2141-I2162 WeakPolarHBondContact O-CA 3.23Å; F2141-L2163 PolarHBondContact N-O 3.15Å; F2141-L2163 PolarHBondContact O-N 3.35Å; F2141-A2165 HydrophobicContact CD2-CB 4.49Å; F2141-A2165 HydrophobicContact CE2-CB 3.79Å; F2141-A2165 HydrophobicContact CZ-CB 4.48Å; F2141-L2168 HydrophobicContact CB-CD1 4.33Å; F2141-L2168 HydrophobicContact CB-CD2 3.89Å; F2141-L2168 HydrophobicContact CD1-CD2 3.92Å; F2141-L2168 HydrophobicContact CD2-CD2 4.15Å; F2141-L2168 HydrophobicContact CG-CD2 3.69Å
2142K88.1Confident82.1Confident6 Ų632.9 Ų32.93%0.02619%0.186CC..EExtended strand (participates in β ladder)trans-87.1130.6173.7178.9179.5-174.7171.60109.6T1017 G1259 I2133 S2134 L2136 N2160 A2161T1017-K2142 PolarHBondContact OG1-NZ 3Å; G1259-K2142 WeakPolarHBondContact O-CD 3.42Å; G1259-K2142 PolarHBondContact O-NZ 3.46Å; I2133-K2142 CarbonylContact C-O 3.46Å; I2133-K2142 WeakPolarHBondContact CA-O 3.47Å; S2134-K2142 PolarHBondContact N-O 3.2Å; S2134-K2142 PolarHBondContact O-N 3.41Å; L2136-K2142 HydrophobicContact CD1-CB 4.35Å; L2136-K2142 HydrophobicContact CD2-CB 4.02Å; L2136-K2142 HydrophobicContact CG-CB 4.33Å; K2142-N2160 WeakPolarHBondContact CE-OD1 3.46Å; K2142-A2161 CarbonylContact C-O 3.17Å; K2142-A2161 WeakPolarHBondContact CA-O 3.3Å
2143V90Very high80.7Confident0 Ų035.1 Ų35.10%020%0.198CC..EExtended strand (participates in β ladder)trans-121.6107-180-169.70000110.6I2131 I2132 I2133 I2157 N2160 A2161 L2163 L2168 V2172I2131-V2143 HydrophobicContact CG2-CG1 3.57Å; I2132-V2143 CarbonylContact O-C 3.46Å; I2132-V2143 WeakPolarHBondContact O-CA 3.11Å; I2133-V2143 HydrophobicContact CG1-CG1 4.27Å; I2133-V2143 HydrophobicContact CG1-CG2 4.34Å; V2143-I2157 HydrophobicContact CB-CG2 4Å; V2143-I2157 HydrophobicContact CG1-CD1 4.2Å; V2143-I2157 HydrophobicContact CG1-CG2 3.81Å; V2143-N2160 CarbonylContact O-C 3.29Å; V2143-N2160 WeakPolarHBondContact O-CA 3.28Å; V2143-N2160 PolarHBondContact O-N 3.25Å; V2143-A2161 PolarHBondContact N-O 3.29Å; V2143-A2161 PolarHBondContact O-N 2.9Å; V2143-A2161 VanDerWaalsContact O-N 3.15Å; V2143-L2163 HydrophobicContact CG2-CD1 4.14Å; V2143-L2168 HydrophobicContact CG2-CD1 3.55Å; V2143-V2172 HydrophobicContact CG1-CG2 4.48Å
2144E86.7Confident80Confident20 Ų2036 Ų369%0.09320%0.202CC..EExtended strand (participates in β ladder)trans-98.9118.1177.2-171.6-169.8176.900110.4I2132 R2146I2132-E2144 HydrophobicContact CB-CB 4.36Å; I2132-E2144 PolarHBondContact N-O 3.15Å; I2132-E2144 PolarHBondContact O-N 3Å; E2144-R2146 VanDerWaalsContact CD-NE 3.25Å; E2144-R2146 VanDerWaalsContact CD-NH2 3.27Å; E2144-R2146 HydrophobicContact CG-CG 4.24Å; E2144-R2146 IonicContact OE1-CZ 3.23Å; E2144-R2146 VanDerWaalsContact OE1-CZ 3.31Å; E2144-R2146 IonicContact OE1-NE 3.27Å; E2144-R2146 PolarHBondContact OE1-NE 3.07Å; E2144-R2146 IonicContact OE1-NH2 3.01Å; E2144-R2146 PolarHBondContact OE1-NH2 3.22Å; E2144-R2146 VanDerWaalsContact OE1-NH2 3.09Å; E2144-R2146 IonicContact OE2-CZ 2.96Å; E2144-R2146 IonicContact OE2-NE 3.26Å; E2144-R2146 PolarHBondContact OE2-NE 3.13Å; E2144-R2146 IonicContact OE2-NH2 2.73Å; E2144-R2146 PolarHBondContact OE2-NH2 3.27Å
2145V86.6Confident79.3Confident10 Ų1035.9 Ų35.96%0.06120%0.202CC..EExtended strand (participates in β ladder)trans-98.2112.6177.1-178.20000109.1V2129 I2131 F2154 I2157V2129-V2145 HydrophobicContact CG1-CG1 4.33Å; I2131-V2145 HydrophobicContact CG1-CG2 4.48Å; V2145-F2154 HydrophobicContact CG1-CE2 3.72Å; V2145-F2154 HydrophobicContact CG1-CZ 3.8Å; V2145-I2157 HydrophobicContact CG2-CG2 4.02Å
2146R86.1Confident79Confident38 Ų3835.2 Ų35.214%0.14320%0.198CC..EExtended strand (participates in β ladder)trans-109.3127.2174.4-60.7-174.2-173.9148.710.3109.8F2117 V2129 L2130 I2132 E2144F2117-R2146 PolarHBondContact O-NH1 2.93Å; V2129-R2146 CarbonylContact C-O 3.16Å; V2129-R2146 WeakPolarHBondContact CA-O 3.36Å; L2130-R2146 HydrophobicContact CB-CB 4.41Å; L2130-R2146 PolarHBondContact N-O 3.01Å; L2130-R2146 PolarHBondContact O-N 3.33Å; I2132-R2146 HydrophobicContact CD1-CG 4.41Å; I2132-R2146 VanDerWaalsContact CD1-CZ 3.47Å; E2144-R2146 VanDerWaalsContact CD-NE 3.25Å; E2144-R2146 VanDerWaalsContact CD-NH2 3.27Å; E2144-R2146 HydrophobicContact CG-CG 4.24Å; E2144-R2146 IonicContact OE1-CZ 3.23Å; E2144-R2146 VanDerWaalsContact OE1-CZ 3.31Å; E2144-R2146 IonicContact OE1-NE 3.27Å; E2144-R2146 PolarHBondContact OE1-NE 3.07Å; E2144-R2146 IonicContact OE1-NH2 3.01Å; E2144-R2146 PolarHBondContact OE1-NH2 3.22Å; E2144-R2146 VanDerWaalsContact OE1-NH2 3.09Å; E2144-R2146 IonicContact OE2-CZ 2.96Å; E2144-R2146 IonicContact OE2-NE 3.26Å; E2144-R2146 PolarHBondContact OE2-NE 3.13Å; E2144-R2146 IonicContact OE2-NH2 2.73Å; E2144-R2146 PolarHBondContact OE2-NH2 3.27Å
2147R84.2Confident79.1Confident43 Ų4334.5 Ų34.516%0.16219%0.194CC..EExtended strand (participates in β ladder)trans-128.9153.5-179.360.8-178.1169102.27.8111.8D2128 V2129 V2151 G2152 L2153 F2154D2128-R2147 CarbonylContact O-C 3.51Å; D2128-R2147 WeakPolarHBondContact O-CA 3.23Å; V2129-R2147 HydrophobicContact CG2-CB 4.05Å; R2147-V2151 HydrophobicContact CB-CB 4.39Å; R2147-V2151 PolarHBondContact NH1-O 2.7Å; R2147-G2152 WeakPolarHBondContact CD-O 3.24Å; R2147-L2153 VanDerWaalsContact NH2-CD2 3.27Å; R2147-F2154 HydrophobicContact CB-CE1 4.45Å
2148E79.1Confident78.9Confident73 Ų7329.8 Ų29.834%0.34117%0.17SC..  trans-62.7145.1165-74.7-140.1162.900111D2128 Q2150 V2151D2128-E2148 PolarHBondContact O-N 3.37Å; E2148-Q2150 PolarHBondContact O-N 2.83Å; E2148-Q2150 PolarHBondContact OE2-NE2 2.79Å; E2148-V2151 HydrophobicContact CB-CG2 4.22Å; E2148-V2151 PolarHBondContact O-N 2.79Å
2149A67.3Low78.7Confident85 Ų8530.7 Ų30.770%0.70217%0.172SC*.THydrogen-bonded Turntrans-61.7-18-178.700000114.1S1574S1574-A2149 WeakPolarHBondContact CB-O 3.39Å; S1574-A2149 PolarHBondContact OG-O 3.1Å
2150Q67.2Low78.3Confident117 Ų11730 Ų3055%0.54716%0.159SC..THydrogen-bonded Turntrans-73.3-35.1173.9-54.2-177.195.900111.7E2148 I2186E2148-Q2150 PolarHBondContact O-N 2.83Å; E2148-Q2150 PolarHBondContact OE2-NE2 2.79Å; Q2150-I2186 VanDerWaalsContact O-CD1 3.24Å; Q2150-I2186 WeakPolarHBondContact O-CD1 3.37Å
2151V70.1Confident78Confident6 Ų630.3 Ų30.34%0.03616%0.161CC..SBendtrans-74.7138-179.2-173.20000109.7D2128 V2129 R2147 E2148 F2154 A2182 V2183 I2186D2128-V2151 HydrophobicContact CB-CG2 3.98Å; V2129-V2151 HydrophobicContact CG2-CG1 4.05Å; R2147-V2151 HydrophobicContact CB-CB 4.39Å; R2147-V2151 PolarHBondContact NH1-O 2.7Å; E2148-V2151 HydrophobicContact CB-CG2 4.22Å; E2148-V2151 PolarHBondContact O-N 2.79Å; V2151-F2154 HydrophobicContact CG1-CD1 4.37Å; V2151-F2154 HydrophobicContact CG1-CE1 3.94Å; V2151-A2182 HydrophobicContact CG1-CB 4.1Å; V2151-V2183 HydrophobicContact CG1-CG2 3.83Å; V2151-V2183 HydrophobicContact CG2-CG2 3.88Å; V2151-I2186 HydrophobicContact CB-CD1 4.49Å
2152G62.5Low77.8Confident8 Ų829.4 Ų29.48%0.08216%0.158CC..PPolyproline II helixtrans-61165.7176.800000114.4R2147 F2154R2147-G2152 WeakPolarHBondContact CD-O 3.24Å; G2152-F2154 WeakPolarHBondContact O-CD1 3.29Å; G2152-F2154 WeakPolarHBondContact O-CE1 3.4Å
2153L64.4Low77.9Confident48 Ų4829.3 Ų29.325%0.25116%0.157SC..PPolyproline II helixtrans-60.6148.5150.6-72171.5000110.1A1572 W1575 R2147A1572-L2153 HydrophobicContact CB-CD1 3.66Å; A1572-L2153 HydrophobicContact CB-CG 4.18Å; W1575-L2153 PolarHBondContact NE1-O 3.02Å; R2147-L2153 VanDerWaalsContact NH2-CD2 3.27Å
2154F79.2Confident77.9Confident19 Ų1929.7 Ų29.78%0.08316%0.16CC..  trans-154.1159.3173.946.5-96.3000107.2V2129 V2145 R2147 V2151 G2152 T2175 N2178 A2179 A2182V2129-F2154 HydrophobicContact CB-CZ 4.38Å; V2129-F2154 HydrophobicContact CG1-CE1 4.49Å; V2129-F2154 HydrophobicContact CG1-CE2 4.27Å; V2129-F2154 HydrophobicContact CG1-CZ 3.61Å; V2129-F2154 HydrophobicContact CG2-CE1 3.86Å; V2129-F2154 HydrophobicContact CG2-CZ 3.81Å; V2145-F2154 HydrophobicContact CG1-CE2 3.72Å; V2145-F2154 HydrophobicContact CG1-CZ 3.8Å; R2147-F2154 HydrophobicContact CB-CE1 4.45Å; V2151-F2154 HydrophobicContact CG1-CD1 4.37Å; V2151-F2154 HydrophobicContact CG1-CE1 3.94Å; G2152-F2154 WeakPolarHBondContact O-CD1 3.29Å; G2152-F2154 WeakPolarHBondContact O-CE1 3.4Å; F2154-T2175 HydrophobicContact CD2-CG2 3.9Å; F2154-T2175 HydrophobicContact CE2-CG2 3.92Å; F2154-N2178 HydrophobicContact CB-CB 4.14Å; F2154-A2179 HydrophobicContact CD1-CB 4.12Å; F2154-A2179 HydrophobicContact CD2-CB 3.72Å; F2154-A2179 HydrophobicContact CE1-CB 3.93Å; F2154-A2179 HydrophobicContact CE2-CB 3.51Å; F2154-A2179 HydrophobicContact CG-CB 4.05Å; F2154-A2179 HydrophobicContact CZ-CB 3.63Å; F2154-A2182 HydrophobicContact CD1-CB 3.92Å
2155G75.2Confident77.9Confident6 Ų631.7 Ų31.76%0.06218%0.18CC..  trans-131.3-173.2177.500000112.6N2178G2155-N2178 WeakPolarHBondContact O-CB 3.38Å; G2155-N2178 PolarHBondContact O-ND2 3.24Å
2156P82.3Confident77.9Confident0 Ų034.5 Ų34.50%019%0.194CC..SBendcis-78.6-28.88.330.4-38.9000115.8T1355 I1359 M1413 T1416 V2158 L2171 A2174 T2175T1355-P2156 WeakPolarHBondContact CG2-O 3.47Å; I1359-P2156 HydrophobicContact CG1-CB 4.25Å; M1413-P2156 HydrophobicContact CE-CB 4.29Å; M1413-P2156 HydrophobicContact SD-CB 3.9Å; T1416-P2156 HydrophobicContact CG2-CB 4.39Å; T1416-P2156 HydrophobicContact CG2-CG 3.97Å; P2156-V2158 PolarHBondContact O-N 2.75Å; P2156-L2171 HydrophobicContact CB-CD2 4.19Å; P2156-L2171 HydrophobicContact CG-CB 4.41Å; P2156-L2171 HydrophobicContact CG-CD2 3.74Å; P2156-A2174 HydrophobicContact CG-CB 4.07Å; P2156-T2175 WeakPolarHBondContact CD-OG1 3.29Å
2157I84.2Confident78.1Confident1 Ų132.7 Ų32.71%0.00519%0.188CC..SBendtrans-77.4126.2-174.8-60.8176000110.6V2143 V2145 A2161 L2163 L2171 V2172 T2175V2143-I2157 HydrophobicContact CB-CG2 4Å; V2143-I2157 HydrophobicContact CG1-CD1 4.2Å; V2143-I2157 HydrophobicContact CG1-CG2 3.81Å; V2145-I2157 HydrophobicContact CG2-CG2 4.02Å; I2157-A2161 HydrophobicContact CG2-CB 3.88Å; I2157-L2163 HydrophobicContact CD1-CD1 3.57Å; I2157-L2163 HydrophobicContact CG1-CD1 4.06Å; I2157-L2171 HydrophobicContact CD1-CB 3.82Å; I2157-L2171 HydrophobicContact CG1-CB 3.93Å; I2157-V2172 HydrophobicContact CD1-CB 4.31Å; I2157-V2172 HydrophobicContact CD1-CG2 3.51Å; I2157-T2175 HydrophobicContact CB-CG2 4.07Å; I2157-T2175 WeakPolarHBondContact CB-OG1 3.38Å; I2157-T2175 WeakPolarHBondContact CG1-OG1 3.14Å; I2157-T2175 PolarHBondContact N-OG1 3.39Å
2158V70.1Confident78.5Confident25 Ų2530.8 Ų30.815%0.15218%0.181CC..  trans-105.6167.3173.2-125.80000111.7L1299 L1352 T1355 P2156 N2160 A2161L1299-V2158 HydrophobicContact CD2-CG2 3.63Å; L1352-V2158 HydrophobicContact CD2-CB 4.31Å; L1352-V2158 HydrophobicContact CD2-CG1 3.81Å; L1352-V2158 HydrophobicContact CD2-CG2 4.17Å; T1355-V2158 HydrophobicContact CG2-CG2 3.92Å; P2156-V2158 PolarHBondContact O-N 2.75Å; V2158-N2160 PolarHBondContact O-N 3.24Å; V2158-A2161 PolarHBondContact O-N 3.08Å
2159E70Confident79.2Confident82 Ų8228 Ų2838%0.38317%0.169SC..THydrogen-bonded Turntrans-53.5116.7-167.2-56.6-177.6-17100113.6
2160N71.7Confident80.3Confident26 Ų2624.3 Ų24.314%0.13914%0.139CC..THydrogen-bonded Turntrans75.519.8177.9-59.1-86000116.7M1255 K2142 V2143 V2158M1255-N2160 HydrophobicContact CB-CB 4.15Å; M1255-N2160 VanDerWaalsContact CE-C 3.44Å; M1255-N2160 WeakPolarHBondContact CE-O 3.4Å; M1255-N2160 HydrophobicContact SD-CB 4.45Å; K2142-N2160 WeakPolarHBondContact CE-OD1 3.46Å; V2143-N2160 CarbonylContact O-C 3.29Å; V2143-N2160 WeakPolarHBondContact O-CA 3.28Å; V2143-N2160 PolarHBondContact O-N 3.25Å; V2158-N2160 PolarHBondContact O-N 3.24Å
2161A82.9Confident81.5Confident5 Ų518.8 Ų18.84%0.04111%0.113CC..EExtended strand (participates in β ladder)trans-54.5146.6176.200000113.2M1255 K2142 V2143 I2157 V2158M1255-A2161 HydrophobicContact CE-CB 4.39Å; K2142-A2161 CarbonylContact C-O 3.17Å; K2142-A2161 WeakPolarHBondContact CA-O 3.3Å; V2143-A2161 PolarHBondContact N-O 3.29Å; V2143-A2161 PolarHBondContact O-N 2.9Å; V2143-A2161 VanDerWaalsContact O-N 3.15Å; I2157-A2161 HydrophobicContact CG2-CB 3.88Å; V2158-A2161 PolarHBondContact O-N 3.08Å
2162I86.6Confident82.7Confident0 Ų018.5 Ų18.50%011%0.111CC..EExtended strand (participates in β ladder)trans-112.1120.8178.1-52.8175000108.4F1258 C1303 Y1304 L2136 L2140 F2141F1258-I2162 HydrophobicContact CB-CD1 4.02Å; F1258-I2162 WeakPolarHBondContact O-CD1 3.5Å; C1303-I2162 PolarHBondContact SG-O 3.32Å; Y1304-I2162 HydrophobicContact CE2-CD1 4.18Å; Y1304-I2162 HydrophobicContact CE2-CG2 4.27Å; L2136-I2162 HydrophobicContact CD1-CG2 4.07Å; L2140-I2162 HydrophobicContact CB-CG2 3.73Å; L2140-I2162 HydrophobicContact CD1-CG2 3.82Å; L2140-I2162 HydrophobicContact CG-CG2 4.3Å; F2141-I2162 CarbonylContact O-C 3.58Å; F2141-I2162 WeakPolarHBondContact O-CA 3.23Å
2163L90.1Very high84.1Confident3 Ų319.1 Ų19.12%0.01611%0.111CC..EExtended strand (participates in β ladder)trans-125.9150.7-170.7-62.7179.9000112.8F2141 V2143 I2157 V2167 L2168 L2171F2141-L2163 PolarHBondContact N-O 3.15Å; F2141-L2163 PolarHBondContact O-N 3.35Å; V2143-L2163 HydrophobicContact CG2-CD1 4.14Å; I2157-L2163 HydrophobicContact CD1-CD1 3.57Å; I2157-L2163 HydrophobicContact CG1-CD1 4.06Å; L2163-V2167 HydrophobicContact CB-CG2 4.28Å; L2163-V2167 HydrophobicContact CD2-CG2 4.24Å; L2163-L2168 HydrophobicContact CB-CD1 4.36Å; L2163-L2168 HydrophobicContact CD1-CD1 4.04Å; L2163-L2171 HydrophobicContact CD1-CB 4.32Å; L2163-L2171 HydrophobicContact CD1-CD1 4.06Å; L2163-L2171 HydrophobicContact CD2-CD1 3.88Å
2164T89.4Confident85.4Confident9 Ų917.5 Ų17.56%0.05510%0.104CC..  trans-80.8152.316746.40000111.5C1303 H1307 L2140 N2166 V2167 L2168C1303-T2164 HydrophobicContact CB-CG2 4.21Å; H1307-T2164 HydrophobicContact CB-CG2 4.01Å; L2140-T2164 HydrophobicContact CD2-CG2 3.49Å; L2140-T2164 VanDerWaalsContact CD2-CG2 3.49Å; T2164-N2166 VanDerWaalsContact CB-OD1 3.24Å; T2164-N2166 WeakPolarHBondContact CB-OD1 3.38Å; T2164-N2166 PolarHBondContact O-N 3.01Å; T2164-N2166 VanDerWaalsContact O-N 3.08Å; T2164-N2166 PolarHBondContact OG1-OD1 3.33Å; T2164-V2167 WeakPolarHBondContact O-CG2 3.34Å; T2164-V2167 PolarHBondContact O-N 3.07Å; T2164-L2168 PolarHBondContact O-N 2.94Å; T2164-L2168 VanDerWaalsContact O-N 3.17Å
2165A87.5Confident86Confident62 Ų6216.6 Ų16.651%0.51210%0.1SC..THydrogen-bonded Turntrans-53.5-32.1-178.300000114.5F2141 P2169F2141-A2165 HydrophobicContact CD2-CB 4.49Å; F2141-A2165 HydrophobicContact CE2-CB 3.79Å; F2141-A2165 HydrophobicContact CZ-CB 4.48Å; A2165-P2169 WeakPolarHBondContact O-CD 3.49Å
2166N85.8Confident87Confident69 Ų6916.3 Ų16.337%0.36910%0.097SC..THydrogen-bonded Turntrans-77-22.6-175.560.7-13000114.7V1366 N1367 T2164V1366-N2166 HydrophobicContact CG1-CB 4.02Å; N1367-N2166 PolarHBondContact OD1-ND2 3.16Å; T2164-N2166 VanDerWaalsContact CB-OD1 3.24Å; T2164-N2166 WeakPolarHBondContact CB-OD1 3.38Å; T2164-N2166 PolarHBondContact O-N 3.01Å; T2164-N2166 VanDerWaalsContact O-N 3.08Å; T2164-N2166 PolarHBondContact OG1-OD1 3.33Å
2167V90.5Very high87.3Confident0 Ų016.8 Ų16.80%010%0.1CC..THydrogen-bonded Turntrans-103.8-20.1176-59.30000113V1362 I1363 V1366 L2163 T2164 G2170 L2171V1362-V2167 HydrophobicContact CG1-CB 4.37Å; V1362-V2167 HydrophobicContact CG1-CG1 4.06Å; I1363-V2167 HydrophobicContact CG1-CG1 4.22Å; I1363-V2167 HydrophobicContact CG1-CG2 4.37Å; V1366-V2167 HydrophobicContact CB-CG1 4.19Å; V1366-V2167 HydrophobicContact CG1-CG1 4.34Å; V1366-V2167 HydrophobicContact CG2-CG1 4.25Å; L2163-V2167 HydrophobicContact CB-CG2 4.28Å; L2163-V2167 HydrophobicContact CD2-CG2 4.24Å; T2164-V2167 WeakPolarHBondContact O-CG2 3.34Å; T2164-V2167 PolarHBondContact O-N 3.07Å; V2167-G2170 PolarHBondContact O-N 3.5Å; V2167-L2171 HydrophobicContact CB-CD1 3.87Å; V2167-L2171 HydrophobicContact CB-CG 4.4Å; V2167-L2171 HydrophobicContact CG2-CD1 3.85Å; V2167-L2171 WeakPolarHBondContact O-CB 3.3Å; V2167-L2171 WeakPolarHBondContact O-CG 3.29Å; V2167-L2171 PolarHBondContact O-N 3.35Å; V2167-L2171 VanDerWaalsContact O-N 3.1Å
2168L93Very high87.4Confident3 Ų317.4 Ų17.42%0.01610%0.103CC..Hα-helixtrans-52.3-49.6-174.8175.770.5000114.1F2040 W2110 I2133 F2141 V2143 L2163 T2164 V2172F2040-L2168 HydrophobicContact CD2-CD2 3.83Å; F2040-L2168 HydrophobicContact CD2-CG 3.88Å; F2040-L2168 HydrophobicContact CE2-CD2 4.37Å; F2040-L2168 HydrophobicContact CE2-CG 4.05Å; W2110-L2168 HydrophobicContact CH2-CD2 4.49Å; W2110-L2168 HydrophobicContact CZ3-CD2 4.12Å; I2133-L2168 HydrophobicContact CD1-CD1 4.42Å; I2133-L2168 HydrophobicContact CG2-CD1 4.37Å; I2133-L2168 HydrophobicContact CG2-CD2 4.2Å; F2141-L2168 HydrophobicContact CB-CD1 4.33Å; F2141-L2168 HydrophobicContact CB-CD2 3.89Å; F2141-L2168 HydrophobicContact CD1-CD2 3.92Å; F2141-L2168 HydrophobicContact CD2-CD2 4.15Å; F2141-L2168 HydrophobicContact CG-CD2 3.69Å; V2143-L2168 HydrophobicContact CG2-CD1 3.55Å; L2163-L2168 HydrophobicContact CB-CD1 4.36Å; L2163-L2168 HydrophobicContact CD1-CD1 4.04Å; T2164-L2168 PolarHBondContact O-N 2.94Å; T2164-L2168 VanDerWaalsContact O-N 3.17Å; L2168-V2172 HydrophobicContact CD1-CG2 3.78Å; L2168-V2172 HydrophobicContact CG-CG2 4.43Å; L2168-V2172 WeakPolarHBondContact O-CB 3.38Å; L2168-V2172 WeakPolarHBondContact O-CG2 3.43Å; L2168-V2172 PolarHBondContact O-N 3.27Å
2169P93.5Very high88.4Confident14 Ų1416.2 Ų16.29%0.09110%0.096CC..Hα-helixtrans-67.4-44.2-175.2-1932.5000113.1F2040 G2043 L2044 A2165 V2172 R2173F2040-P2169 HydrophobicContact CD2-CB 4.31Å; F2040-P2169 HydrophobicContact CD2-CG 4.1Å; G2043-P2169 WeakPolarHBondContact O-CB 3.08Å; L2044-P2169 HydrophobicContact CD2-CB 4.32Å; L2044-P2169 WeakPolarHBondContact CD2-O 3.26Å; A2165-P2169 WeakPolarHBondContact O-CD 3.49Å; P2169-V2172 PolarHBondContact O-N 3.43Å; P2169-R2173 VanDerWaalsContact O-CB 3.28Å; P2169-R2173 WeakPolarHBondContact O-CB 3.34Å; P2169-R2173 PolarHBondContact O-N 2.86Å
2170G90.2Very high89.3Confident7 Ų712.5 Ų12.57%0.0728%0.079CC..Hα-helixtrans-65.4-45.3179.400000112.5V2167 R2173 A2174V2167-G2170 PolarHBondContact O-N 3.5Å; G2170-R2173 PolarHBondContact O-N 3.29Å; G2170-A2174 WeakPolarHBondContact O-CB 3.37Å; G2170-A2174 PolarHBondContact O-N 3.06Å
2171L92.1Very high89.9Confident1 Ų113.9 Ų13.91%0.0058%0.083CC..Hα-helixtrans-66.5-37.8177.5-66.6176.6000112.2V1362 P2156 I2157 L2163 V2167 T2175V1362-L2171 HydrophobicContact CB-CD2 4.49Å; V1362-L2171 HydrophobicContact CG1-CD2 4.23Å; V1362-L2171 HydrophobicContact CG1-CG 4.46Å; V1362-L2171 HydrophobicContact CG2-CD2 4.32Å; P2156-L2171 HydrophobicContact CB-CD2 4.19Å; P2156-L2171 HydrophobicContact CG-CB 4.41Å; P2156-L2171 HydrophobicContact CG-CD2 3.74Å; I2157-L2171 HydrophobicContact CD1-CB 3.82Å; I2157-L2171 HydrophobicContact CG1-CB 3.93Å; L2163-L2171 HydrophobicContact CD1-CB 4.32Å; L2163-L2171 HydrophobicContact CD1-CD1 4.06Å; L2163-L2171 HydrophobicContact CD2-CD1 3.88Å; V2167-L2171 HydrophobicContact CB-CD1 3.87Å; V2167-L2171 HydrophobicContact CB-CG 4.4Å; V2167-L2171 HydrophobicContact CG2-CD1 3.85Å; V2167-L2171 WeakPolarHBondContact O-CB 3.3Å; V2167-L2171 WeakPolarHBondContact O-CG 3.29Å; V2167-L2171 PolarHBondContact O-N 3.35Å; V2167-L2171 VanDerWaalsContact O-N 3.1Å; L2171-T2175 WeakPolarHBondContact O-CB 3.46Å; L2171-T2175 PolarHBondContact O-N 3.32Å; L2171-T2175 PolarHBondContact O-OG1 3.09Å
2172V94.9Very high89.9Confident0 Ų014.7 Ų14.70%09%0.089CC..Hα-helixtrans-68-43174.21710000111.4F2040 L2044 I2108 I2131 I2133 V2143 I2157 L2168 P2169 T2175 A2176F2040-V2172 HydrophobicContact CE2-CB 4.16Å; F2040-V2172 HydrophobicContact CE2-CG1 4.27Å; F2040-V2172 HydrophobicContact CE2-CG2 4.24Å; F2040-V2172 HydrophobicContact CZ-CB 4.41Å; F2040-V2172 HydrophobicContact CZ-CG1 4Å; L2044-V2172 HydrophobicContact CD2-CG1 4.45Å; I2108-V2172 HydrophobicContact CD1-CG1 3.84Å; I2108-V2172 HydrophobicContact CG1-CG1 4.31Å; I2131-V2172 HydrophobicContact CG2-CG1 4.32Å; I2133-V2172 HydrophobicContact CD1-CG1 4.36Å; I2133-V2172 HydrophobicContact CD1-CG2 3.99Å; V2143-V2172 HydrophobicContact CG1-CG2 4.48Å; I2157-V2172 HydrophobicContact CD1-CB 4.31Å; I2157-V2172 HydrophobicContact CD1-CG2 3.51Å; L2168-V2172 HydrophobicContact CD1-CG2 3.78Å; L2168-V2172 HydrophobicContact CG-CG2 4.43Å; L2168-V2172 WeakPolarHBondContact O-CB 3.38Å; L2168-V2172 WeakPolarHBondContact O-CG2 3.43Å; L2168-V2172 PolarHBondContact O-N 3.27Å; P2169-V2172 PolarHBondContact O-N 3.43Å; V2172-T2175 PolarHBondContact O-N 2.97Å; V2172-A2176 WeakPolarHBondContact O-CB 3.28Å; V2172-A2176 PolarHBondContact O-N 3.47Å
2173R93.9Very high89.8Confident22 Ų2215 Ų158%0.0839%0.091CC..Hα-helixtrans-56.2-52.5174.4169.5172.759.4-122.4-3.9111.3E1419 G2043 L2044 P2169 G2170 T2175 A2176 I2177E1419-R2173 IonicContact OE1-CZ 3.14Å; E1419-R2173 IonicContact OE1-NE 3.33Å; E1419-R2173 IonicContact OE1-NH2 2.75Å; E1419-R2173 PolarHBondContact OE1-NH2 3.28Å; E1419-R2173 IonicContact OE2-CZ 2.78Å; E1419-R2173 IonicContact OE2-NE 2.92Å; E1419-R2173 PolarHBondContact OE2-NE 3.47Å; E1419-R2173 IonicContact OE2-NH2 2.86Å; E1419-R2173 PolarHBondContact OE2-NH2 3.15Å; G2043-R2173 PolarHBondContact O-NH1 2.98Å; L2044-R2173 HydrophobicContact CD2-CB 4.25Å; L2044-R2173 PolarHBondContact O-NH1 3.13Å; P2169-R2173 VanDerWaalsContact O-CB 3.28Å; P2169-R2173 WeakPolarHBondContact O-CB 3.34Å; P2169-R2173 PolarHBondContact O-N 2.86Å; G2170-R2173 PolarHBondContact O-N 3.29Å; R2173-T2175 VanDerWaalsContact C-N 3.31Å; R2173-T2175 PolarHBondContact O-N 3.33Å; R2173-A2176 PolarHBondContact O-N 2.95Å; R2173-I2177 HydrophobicContact CG-CD1 3.86Å; R2173-I2177 WeakPolarHBondContact O-CG1 3.26Å; R2173-I2177 PolarHBondContact O-N 2.75Å
2174A91Very high89.4Confident13 Ų1315.8 Ų15.811%0.1079%0.094CC..Hα-helixtrans-58.2-44177.900000111.8T1416 P2156 G2170 A2176 I2177 N2178T1416-A2174 HydrophobicContact CG2-CB 4.04Å; P2156-A2174 HydrophobicContact CG-CB 4.07Å; G2170-A2174 WeakPolarHBondContact O-CB 3.37Å; G2170-A2174 PolarHBondContact O-N 3.06Å; A2174-A2176 PolarHBondContact O-N 3.08Å; A2174-I2177 PolarHBondContact O-N 2.84Å; A2174-N2178 PolarHBondContact O-N 3.17Å; A2174-N2178 PolarHBondContact O-ND2 2.96Å
2175T92.4Very high88.7Confident0 Ų018.3 Ų18.30%012%0.116CC..Hα-helixtrans-64.2-41.5178.9-52.70000111.6I2131 F2154 P2156 I2157 L2171 V2172 R2173 N2178 A2179I2131-T2175 HydrophobicContact CD1-CG2 4.13Å; F2154-T2175 HydrophobicContact CD2-CG2 3.9Å; F2154-T2175 HydrophobicContact CE2-CG2 3.92Å; P2156-T2175 WeakPolarHBondContact CD-OG1 3.29Å; I2157-T2175 HydrophobicContact CB-CG2 4.07Å; I2157-T2175 WeakPolarHBondContact CB-OG1 3.38Å; I2157-T2175 WeakPolarHBondContact CG1-OG1 3.14Å; I2157-T2175 PolarHBondContact N-OG1 3.39Å; L2171-T2175 WeakPolarHBondContact O-CB 3.46Å; L2171-T2175 PolarHBondContact O-N 3.32Å; L2171-T2175 PolarHBondContact O-OG1 3.09Å; V2172-T2175 PolarHBondContact O-N 2.97Å; R2173-T2175 VanDerWaalsContact C-N 3.31Å; R2173-T2175 PolarHBondContact O-N 3.33Å; T2175-N2178 PolarHBondContact O-N 3.07Å; T2175-A2179 WeakPolarHBondContact O-CB 3.47Å; T2175-A2179 PolarHBondContact O-N 3.04Å
2176A94.2Very high88Confident0 Ų018 Ų180%011%0.105CC..Hα-helixtrans-69.2-35.3179.600000113.2L2012 I2106 I2131 V2172 R2173 A2174 S2180L2012-A2176 HydrophobicContact CD1-CB 3.78Å; L2012-A2176 HydrophobicContact CD2-CB 4.27Å; I2106-A2176 HydrophobicContact CG2-CB 4.17Å; I2131-A2176 HydrophobicContact CD1-CB 4.04Å; V2172-A2176 WeakPolarHBondContact O-CB 3.28Å; V2172-A2176 PolarHBondContact O-N 3.47Å; R2173-A2176 PolarHBondContact O-N 2.95Å; A2174-A2176 PolarHBondContact O-N 3.08Å; A2176-S2180 WeakPolarHBondContact O-CB 3.43Å; A2176-S2180 PolarHBondContact O-N 2.89Å
2177I89.9Confident87.6Confident10 Ų1018.1 Ų18.15%0.05110%0.103CC..Hα-helixtrans-64.5-50.1172.7-68.6165.1000110.1L2078 V2080 R2173 A2174 A2179 S2180 R2181L2078-I2177 HydrophobicContact CD1-CD1 4.27Å; V2080-I2177 HydrophobicContact CG2-CD1 3.94Å; V2080-I2177 HydrophobicContact CG2-CG1 3.96Å; R2173-I2177 HydrophobicContact CG-CD1 3.86Å; R2173-I2177 WeakPolarHBondContact O-CG1 3.26Å; R2173-I2177 PolarHBondContact O-N 2.75Å; A2174-I2177 PolarHBondContact O-N 2.84Å; I2177-A2179 VanDerWaalsContact C-N 3.33Å; I2177-A2179 PolarHBondContact O-N 3.21Å; I2177-S2180 WeakPolarHBondContact O-CB 3.48Å; I2177-S2180 PolarHBondContact O-N 2.84Å; I2177-S2180 VanDerWaalsContact O-N 3.13Å; I2177-R2181 PolarHBondContact O-N 2.84Å
2178N87Confident86.7Confident14 Ų1424.5 Ų24.58%0.07514%0.144CC..Hα-helixtrans-67.2-33.4179.8-66-22.1000112.2F2154 G2155 A2174 T2175 R2181 A2182F2154-N2178 HydrophobicContact CB-CB 4.14Å; G2155-N2178 WeakPolarHBondContact O-CB 3.38Å; G2155-N2178 PolarHBondContact O-ND2 3.24Å; A2174-N2178 PolarHBondContact O-N 3.17Å; A2174-N2178 PolarHBondContact O-ND2 2.96Å; T2175-N2178 PolarHBondContact O-N 3.07Å; N2178-R2181 PolarHBondContact O-N 3.35Å; N2178-R2181 PolarHBondContact OD1-NH1 3.35Å; N2178-A2182 WeakPolarHBondContact O-CB 3.39Å; N2178-A2182 PolarHBondContact O-N 3.37Å
2179A89.4Confident85.8Confident0 Ų027.8 Ų27.80%018%0.179CC..Hα-helixtrans-61.8-44.3169.400000112.1I2106 V2129 F2154 T2175 I2177 R2181 A2182 V2183I2106-A2179 HydrophobicContact CD1-CB 3.77Å; I2106-A2179 HydrophobicContact CG1-CB 4.48Å; I2106-A2179 HydrophobicContact CG2-CB 4.45Å; V2129-A2179 HydrophobicContact CB-CB 4.46Å; V2129-A2179 HydrophobicContact CG1-CB 4.17Å; V2129-A2179 HydrophobicContact CG2-CB 4.26Å; F2154-A2179 HydrophobicContact CD1-CB 4.12Å; F2154-A2179 HydrophobicContact CD2-CB 3.72Å; F2154-A2179 HydrophobicContact CE1-CB 3.93Å; F2154-A2179 HydrophobicContact CE2-CB 3.51Å; F2154-A2179 HydrophobicContact CG-CB 4.05Å; F2154-A2179 HydrophobicContact CZ-CB 3.63Å; T2175-A2179 WeakPolarHBondContact O-CB 3.47Å; T2175-A2179 PolarHBondContact O-N 3.04Å; I2177-A2179 VanDerWaalsContact C-N 3.33Å; I2177-A2179 PolarHBondContact O-N 3.21Å; A2179-R2181 PolarHBondContact O-N 3.19Å; A2179-A2182 PolarHBondContact O-N 3.32Å; A2179-V2183 WeakPolarHBondContact O-CG2 3.39Å; A2179-V2183 PolarHBondContact O-N 2.76Å
2180S89.2Confident84.9Confident5 Ų531 Ų314%0.03519%0.19CC..Hα-helixtrans-62-42.3176.1-171.50000111.7H2010 A2176 I2177 V2183 Q2184H2010-S2180 VanDerWaalsContact ND1-CB 3.3Å; H2010-S2180 WeakPolarHBondContact ND1-CB 3.49Å; H2010-S2180 PolarHBondContact ND1-OG 3.46Å; A2176-S2180 WeakPolarHBondContact O-CB 3.43Å; A2176-S2180 PolarHBondContact O-N 2.89Å; I2177-S2180 WeakPolarHBondContact O-CB 3.48Å; I2177-S2180 PolarHBondContact O-N 2.84Å; I2177-S2180 VanDerWaalsContact O-N 3.13Å; S2180-V2183 PolarHBondContact O-N 3.04Å; S2180-Q2184 WeakPolarHBondContact O-CB 3.33Å; S2180-Q2184 VanDerWaalsContact O-CG 3.22Å; S2180-Q2184 WeakPolarHBondContact O-CG 3.36Å; S2180-Q2184 PolarHBondContact O-N 2.93Å; S2180-Q2184 PolarHBondContact OG-NE2 3.36Å
2181R85.2Confident84.3Confident55 Ų5536.5 Ų36.521%0.20821%0.208CC..Hα-helixtrans-59-46.8172.2-75.8167.5175165.8-4.9112.4E2008 I2177 N2178 A2179 V2183 Q2184 A2185E2008-R2181 WeakPolarHBondContact OE1-CG 3.19Å; E2008-R2181 IonicContact OE1-CZ 2.75Å; E2008-R2181 IonicContact OE1-NE 2.65Å; E2008-R2181 PolarHBondContact OE1-NE 3.5Å; E2008-R2181 IonicContact OE2-CZ 3Å; E2008-R2181 VanDerWaalsContact OE2-CZ 3.27Å; E2008-R2181 IonicContact OE2-NE 2.7Å; E2008-R2181 PolarHBondContact OE2-NE 3.01Å; E2008-R2181 IonicContact OE2-NH2 2.65Å; E2008-R2181 PolarHBondContact OE2-NH2 3.42Å; I2177-R2181 PolarHBondContact O-N 2.84Å; N2178-R2181 PolarHBondContact O-N 3.35Å; N2178-R2181 PolarHBondContact OD1-NH1 3.35Å; A2179-R2181 PolarHBondContact O-N 3.19Å; R2181-V2183 VanDerWaalsContact C-N 3.33Å; R2181-V2183 PolarHBondContact O-N 2.64Å; R2181-Q2184 PolarHBondContact O-N 3.34Å; R2181-A2185 WeakPolarHBondContact O-CB 3.41Å; R2181-A2185 PolarHBondContact O-N 3Å
2182A82.3Confident83.8Confident21 Ų2138.9 Ų38.917%0.17422%0.219CC..Hα-helixtrans-61.8-38.2177.900000112.6V2151 F2154 N2178 A2179 I2186V2151-A2182 HydrophobicContact CG1-CB 4.1Å; F2154-A2182 HydrophobicContact CD1-CB 3.92Å; N2178-A2182 WeakPolarHBondContact O-CB 3.39Å; N2178-A2182 PolarHBondContact O-N 3.37Å; A2179-A2182 PolarHBondContact O-N 3.32Å; A2182-I2186 VanDerWaalsContact O-CD1 3.29Å; A2182-I2186 WeakPolarHBondContact O-CD1 3.41Å; A2182-I2186 WeakPolarHBondContact O-CG1 3.41Å
2183V83.8Confident83.1Confident6 Ų640.5 Ų40.54%0.03623%0.23CC..Hα-helixtrans-70.3-41.9173.9173.70000111.7E2105 I2106 D2128 V2129 V2151 A2179 S2180 R2181 I2186E2105-V2183 HydrophobicContact CB-CG1 4.15Å; E2105-V2183 HydrophobicContact CG-CG1 4.31Å; I2106-V2183 HydrophobicContact CD1-CG2 4.02Å; D2128-V2183 HydrophobicContact CB-CG1 4.49Å; D2128-V2183 HydrophobicContact CB-CG2 3.99Å; D2128-V2183 WeakPolarHBondContact OD2-CG1 3.45Å; V2129-V2183 HydrophobicContact CG2-CG2 4.21Å; V2151-V2183 HydrophobicContact CG1-CG2 3.83Å; V2151-V2183 HydrophobicContact CG2-CG2 3.88Å; A2179-V2183 WeakPolarHBondContact O-CG2 3.39Å; A2179-V2183 PolarHBondContact O-N 2.76Å; S2180-V2183 PolarHBondContact O-N 3.04Å; R2181-V2183 VanDerWaalsContact C-N 3.33Å; R2181-V2183 PolarHBondContact O-N 2.64Å; V2183-I2186 PolarHBondContact O-N 3.24Å
2184Q82.8Confident82.6Confident20 Ų2040.6 Ų40.69%0.09323%0.23CC..Hα-helixtrans-62.7-42.5177.8-73.7171.18.700112.5S2180 R2181 I2186 K2187 Y2190S2180-Q2184 WeakPolarHBondContact O-CB 3.33Å; S2180-Q2184 VanDerWaalsContact O-CG 3.22Å; S2180-Q2184 WeakPolarHBondContact O-CG 3.36Å; S2180-Q2184 PolarHBondContact O-N 2.93Å; S2180-Q2184 PolarHBondContact OG-NE2 3.36Å; R2181-Q2184 PolarHBondContact O-N 3.34Å; Q2184-I2186 PolarHBondContact O-N 2.57Å; Q2184-I2186 VanDerWaalsContact O-N 3.13Å; Q2184-K2187 WeakPolarHBondContact O-CB 3.27Å; Q2184-K2187 PolarHBondContact O-N 3.45Å; Q2184-Y2190 HydrophobicContact CB-CD1 4.08Å; Q2184-Y2190 HydrophobicContact CB-CE1 3.8Å; Q2184-Y2190 HydrophobicContact CB-CE2 4.33Å; Q2184-Y2190 HydrophobicContact CB-CG 4.45Å; Q2184-Y2190 WeakPolarHBondContact O-CB 3.47Å; Q2184-Y2190 PolarHBondContact OE1-OH 3.26Å
2185A73.5Confident82.3Confident62 Ų6241 Ų4151%0.51223%0.23SC..Hα-helixtrans-59.6-23.6-179.900000114.4R2181R2181-A2185 WeakPolarHBondContact O-CB 3.41Å; R2181-A2185 PolarHBondContact O-N 3Å
2186I73.5Confident81.9Confident55 Ų5544 Ų4428%0.28225%0.246SC..THydrogen-bonded Turntrans-83.8-16.3179.5-65.6161.7000112Q2150 V2151 A2182 V2183 Q2184Q2150-I2186 VanDerWaalsContact O-CD1 3.24Å; Q2150-I2186 WeakPolarHBondContact O-CD1 3.37Å; V2151-I2186 HydrophobicContact CB-CD1 4.49Å; A2182-I2186 VanDerWaalsContact O-CD1 3.29Å; A2182-I2186 WeakPolarHBondContact O-CD1 3.41Å; A2182-I2186 WeakPolarHBondContact O-CG1 3.41Å; V2183-I2186 PolarHBondContact O-N 3.24Å; Q2184-I2186 PolarHBondContact O-N 2.57Å; Q2184-I2186 VanDerWaalsContact O-N 3.13Å
2187K77.8Confident81.7Confident72 Ų7244.1 Ų44.131%0.31325%0.247SC..SBendtrans-74.4123.5-174.1-62.2174.9-163.2175.60110.4E2105 Q2184 G2189 Y2190E2105-K2187 WeakPolarHBondContact OE1-CE 3.42Å; E2105-K2187 IonicContact OE1-NZ 3.2Å; E2105-K2187 PolarHBondContact OE1-NZ 2.79Å; E2105-K2187 IonicContact OE2-NZ 2.98Å; E2105-K2187 PolarHBondContact OE2-NZ 3.03Å; Q2184-K2187 WeakPolarHBondContact O-CB 3.27Å; Q2184-K2187 PolarHBondContact O-N 3.45Å; K2187-G2189 PolarHBondContact O-N 3.35Å; K2187-G2189 VanDerWaalsContact O-N 3.14Å; K2187-Y2190 WeakPolarHBondContact O-CB 3.34Å; K2187-Y2190 PolarHBondContact O-N 2.86Å
2188P71.8Confident81.5Confident135 Ų13543.8 Ų43.888%0.87725%0.245SC*.THydrogen-bonded Turntrans-65.1118.5-174.725.7-34.2000110.9
2189G73.4Confident81.4Confident72 Ų7245.3 Ų45.374%0.74226%0.257SS*.THydrogen-bonded Turntrans84.313.2-176.900000115.1K2187K2187-G2189 PolarHBondContact O-N 3.35Å; K2187-G2189 VanDerWaalsContact O-N 3.14Å
2190Y75.5Confident81.3Confident82 Ų8246.4 Ų46.432%0.32227%0.265SS..  trans-58.8145.4166.9-178.4-118.1000111.2Q2184 K2187Q2184-Y2190 HydrophobicContact CB-CD1 4.08Å; Q2184-Y2190 HydrophobicContact CB-CE1 3.8Å; Q2184-Y2190 HydrophobicContact CB-CE2 4.33Å; Q2184-Y2190 HydrophobicContact CB-CG 4.45Å; Q2184-Y2190 WeakPolarHBondContact O-CB 3.47Å; Q2184-Y2190 PolarHBondContact OE1-OH 3.26Å; K2187-Y2190 WeakPolarHBondContact O-CB 3.34Å; K2187-Y2190 PolarHBondContact O-N 2.86Å
2191R76Confident81.1Confident121 Ų12146.2 Ų46.246%0.45726%0.263SS..  trans-143148-179.5-73.4178.6174.5-169.6-5.3108.9E2195 D2196R2191-E2195 WeakPolarHBondContact CA-OE2 3.44Å; R2191-E2195 HydrophobicContact CB-CB 4.3Å; R2191-E2195 WeakPolarHBondContact CB-OE2 3.41Å; R2191-D2196 WeakPolarHBondContact CD-OD1 3.15Å; R2191-D2196 IonicContact CZ-OD1 3.77Å; R2191-D2196 IonicContact NE-OD1 2.76Å; R2191-D2196 IonicContact NH1-OD1 3.82Å; R2191-D2196 PolarHBondContact NH1-OD1 3.3Å
2192H81.7Confident81.2Confident51 Ų5148.1 Ų48.124%0.23627%0.27CS..  trans-72.7151.7171.7-65.8-77.5000110.4H1464 Y2194 E2195H1464-H2192 AromaticContact CE1-CD2 3.65Å; H1464-H2192 AromaticContact CE1-NE2 3.71Å; H1464-H2192 AromaticContact ND1-CD2 3.54Å; H1464-H2192 AromaticContact ND1-NE2 3.14Å; H1464-H2192 PolarHBondContact ND1-NE2 3.45Å; H1464-H2192 VanDerWaalsContact ND1-NE2 3.14Å; H2192-Y2194 HydrophobicContact CB-CD1 3.77Å; H2192-Y2194 HydrophobicContact CB-CE1 3.32Å; H2192-Y2194 HydrophobicContact CB-CE2 4.35Å; H2192-Y2194 HydrophobicContact CB-CG 4.43Å; H2192-Y2194 PolarHBondContact CD2-OH 3.15Å; H2192-Y2194 AromaticContact CG-CE1 3.82Å; H2192-Y2194 AromaticContact CG-CZ 3.99Å; H2192-Y2194 PolarHBondContact O-N 3.12Å; H2192-Y2194 VanDerWaalsContact O-N 3.12Å; H2192-E2195 HydrophobicContact CB-CG 4.32Å; H2192-E2195 PolarHBondContact N-OE2 3.14Å; H2192-E2195 WeakPolarHBondContact O-CB 3.48Å; H2192-E2195 PolarHBondContact O-N 2.9Å
2193P81.2Confident81.5Confident35 Ų3552.4 Ų52.423%0.22729%0.287CS..Hα-helixtrans-55.3-37.8-175-24.432.4000113.5G2005 E2195 D2196 R2197G2005-P2193 WeakPolarHBondContact O-CB 3.47Å; P2193-E2195 VanDerWaalsContact C-N 3.32Å; P2193-E2195 PolarHBondContact O-N 3.22Å; P2193-D2196 PolarHBondContact O-N 2.92Å; P2193-R2197 WeakPolarHBondContact O-CG 3.38Å; P2193-R2197 PolarHBondContact O-N 2.77Å
2194Y82.7Confident81.6Confident23 Ų2352.3 Ų52.39%0.0929%0.286CS..Hα-helixtrans-66.1-26176.464.9-99.6000114.2H1464 L1602 A1603 M1606 H2192 A2198H1464-Y2194 PolarHBondContact CE1-OH 3.18Å; H1464-Y2194 PolarHBondContact ND1-OH 3.16Å; L1602-Y2194 HydrophobicContact CB-CD2 4.19Å; L1602-Y2194 HydrophobicContact CB-CE2 4.1Å; A1603-Y2194 HydrophobicContact CB-CE2 4.2Å; M1606-Y2194 HydrophobicContact CB-CD1 4.42Å; M1606-Y2194 HydrophobicContact CB-CD2 4.36Å; M1606-Y2194 HydrophobicContact CB-CG 4.04Å; M1606-Y2194 HydrophobicContact CG-CD1 4.08Å; M1606-Y2194 HydrophobicContact CG-CG 3.98Å; H2192-Y2194 HydrophobicContact CB-CD1 3.77Å; H2192-Y2194 HydrophobicContact CB-CE1 3.32Å; H2192-Y2194 HydrophobicContact CB-CE2 4.35Å; H2192-Y2194 HydrophobicContact CB-CG 4.43Å; H2192-Y2194 PolarHBondContact CD2-OH 3.15Å; H2192-Y2194 AromaticContact CG-CE1 3.82Å; H2192-Y2194 AromaticContact CG-CZ 3.99Å; H2192-Y2194 PolarHBondContact O-N 3.12Å; H2192-Y2194 VanDerWaalsContact O-N 3.12Å; Y2194-A2198 WeakPolarHBondContact O-CB 3.29Å; Y2194-A2198 PolarHBondContact O-N 3.15Å
2195E85.2Confident81.7Confident22 Ų2252.2 Ų52.210%0.10329%0.286CS..Hα-helixtrans-71.8-38.2176.9-62.9179.3133.200111.3K1460 S1599 R2191 H2192 P2193 S2199K1460-E2195 IonicContact NZ-OE1 2.67Å; K1460-E2195 PolarHBondContact NZ-OE1 3.39Å; S1599-E2195 WeakPolarHBondContact CB-OE1 3.5Å; S1599-E2195 PolarHBondContact OG-OE1 3.34Å; R2191-E2195 WeakPolarHBondContact CA-OE2 3.44Å; R2191-E2195 HydrophobicContact CB-CB 4.3Å; R2191-E2195 WeakPolarHBondContact CB-OE2 3.41Å; H2192-E2195 HydrophobicContact CB-CG 4.32Å; H2192-E2195 PolarHBondContact N-OE2 3.14Å; H2192-E2195 WeakPolarHBondContact O-CB 3.48Å; H2192-E2195 PolarHBondContact O-N 2.9Å; P2193-E2195 VanDerWaalsContact C-N 3.32Å; P2193-E2195 PolarHBondContact O-N 3.22Å; E2195-S2199 WeakPolarHBondContact O-CB 3.41Å; E2195-S2199 PolarHBondContact O-N 2.91Å; E2195-S2199 PolarHBondContact O-OG 2.81Å
2196D84.9Confident82.3Confident62 Ų6254 Ų5433%0.33230%0.295SS..Hα-helixtrans-79.7-33176.1-77.7-27.3000112.4R2191 P2193 S2199 S2200R2191-D2196 WeakPolarHBondContact CD-OD1 3.15Å; R2191-D2196 IonicContact CZ-OD1 3.77Å; R2191-D2196 IonicContact NE-OD1 2.76Å; R2191-D2196 IonicContact NH1-OD1 3.82Å; R2191-D2196 PolarHBondContact NH1-OD1 3.3Å; P2193-D2196 PolarHBondContact O-N 2.92Å; D2196-S2199 PolarHBondContact O-N 3.04Å; D2196-S2200 WeakPolarHBondContact O-CB 3.39Å; D2196-S2200 PolarHBondContact O-N 2.69Å; D2196-S2200 PolarHBondContact O-OG 3.44Å
2197R88.1Confident83Confident4 Ų456.4 Ų56.42%0.01530%0.303CS..Hα-helixtrans-59.8-49.4165.2-69.1-177.768.771.612.3110.8D1764 G1767 L2001 L2004 G2005 P2193 S2199 S2200 L2201D1764-R2197 PolarHBondContact O-NE 2.84Å; D1764-R2197 PolarHBondContact O-NH2 2.85Å; G1767-R2197 VanDerWaalsContact C-NH2 3.34Å; G1767-R2197 PolarHBondContact O-NH2 3.29Å; L2001-R2197 HydrophobicContact CD1-CB 4.35Å; L2001-R2197 HydrophobicContact CD1-CG 4.41Å; L2001-R2197 PolarHBondContact O-NH1 3.13Å; L2004-R2197 HydrophobicContact CB-CG 4.01Å; L2004-R2197 PolarHBondContact O-NH1 3.45Å; G2005-R2197 WeakPolarHBondContact O-CD 3.22Å; P2193-R2197 WeakPolarHBondContact O-CG 3.38Å; P2193-R2197 PolarHBondContact O-N 2.77Å; R2197-S2199 VanDerWaalsContact C-N 3.32Å; R2197-S2199 PolarHBondContact O-N 3.41Å; R2197-S2200 PolarHBondContact O-N 3.3Å; R2197-S2200 VanDerWaalsContact O-N 3.14Å; R2197-L2201 WeakPolarHBondContact O-CB 3.37Å; R2197-L2201 WeakPolarHBondContact O-CD1 3.46Å; R2197-L2201 WeakPolarHBondContact O-CG 3.47Å; R2197-L2201 PolarHBondContact O-N 3.5Å
2198A86.2Confident83.5Confident2 Ų254 Ų542%0.01729%0.292CS..Hα-helixtrans-58.4-41.5176.500000112.7L1602 L1765 Y2194 S2200 R2202L1602-A2198 HydrophobicContact CD1-CB 4.2Å; L1602-A2198 HydrophobicContact CD2-CB 3.57Å; L1765-A2198 HydrophobicContact CD2-CB 3.53Å; Y2194-A2198 WeakPolarHBondContact O-CB 3.29Å; Y2194-A2198 PolarHBondContact O-N 3.15Å; A2198-S2200 VanDerWaalsContact C-N 3.35Å; A2198-R2202 WeakPolarHBondContact O-CB 3.35Å; A2198-R2202 WeakPolarHBondContact O-CD 3.36Å; A2198-R2202 WeakPolarHBondContact O-CG 3.41Å; A2198-R2202 PolarHBondContact O-N 3.1Å; A2198-R2202 VanDerWaalsContact O-N 3.07Å
2199S86.3Confident84Confident47 Ų4749.6 Ų49.633%0.32926%0.263SS..Hα-helixtrans-61.7-44.2176-61.40000111.3E2195 D2196 R2197 Q2203E2195-S2199 WeakPolarHBondContact O-CB 3.41Å; E2195-S2199 PolarHBondContact O-N 2.91Å; E2195-S2199 PolarHBondContact O-OG 2.81Å; D2196-S2199 PolarHBondContact O-N 3.04Å; R2197-S2199 VanDerWaalsContact C-N 3.32Å; R2197-S2199 PolarHBondContact O-N 3.41Å; S2199-Q2203 PolarHBondContact O-N 3.5Å
2200S85.5Confident84.3Confident23 Ų2348.6 Ų48.616%0.16124%0.24CC..Hα-helixtrans-71.2-41-179.3-56.90000112.8L2004 D2196 R2197 A2198 Q2203 I2204L2004-S2200 VanDerWaalsContact CD1-OG 3.24Å; L2004-S2200 WeakPolarHBondContact CD1-OG 3.33Å; D2196-S2200 WeakPolarHBondContact O-CB 3.39Å; D2196-S2200 PolarHBondContact O-N 2.69Å; D2196-S2200 PolarHBondContact O-OG 3.44Å; R2197-S2200 PolarHBondContact O-N 3.3Å; R2197-S2200 VanDerWaalsContact O-N 3.14Å; A2198-S2200 VanDerWaalsContact C-N 3.35Å; S2200-Q2203 PolarHBondContact O-N 3.04Å; S2200-I2204 WeakPolarHBondContact O-CG1 3.27Å; S2200-I2204 PolarHBondContact O-N 2.91Å
2201L86.3Confident84.2Confident0 Ų050.4 Ų50.40%027%0.265CS..Hα-helixtrans-58.3-51.8173.4-79.8155.5000111.1S1681 I1683 L1765 L2001 R2197 Q2203 I2204 I2205S1681-L2201 WeakPolarHBondContact O-CD1 3.47Å; I1683-L2201 HydrophobicContact CD1-CD2 3.9Å; I1683-L2201 HydrophobicContact CG1-CD2 4.04Å; L1765-L2201 HydrophobicContact CD2-CD1 3.99Å; L2001-L2201 HydrophobicContact CD1-CG 4.06Å; L2001-L2201 HydrophobicContact CD2-CD2 3.64Å; L2001-L2201 HydrophobicContact CD2-CG 3.95Å; R2197-L2201 WeakPolarHBondContact O-CB 3.37Å; R2197-L2201 WeakPolarHBondContact O-CD1 3.46Å; R2197-L2201 WeakPolarHBondContact O-CG 3.47Å; R2197-L2201 PolarHBondContact O-N 3.5Å; L2201-Q2203 VanDerWaalsContact C-N 3.3Å; L2201-Q2203 PolarHBondContact O-N 2.83Å; L2201-I2204 PolarHBondContact O-N 3.38Å; L2201-I2204 VanDerWaalsContact O-N 3.14Å; L2201-I2205 VanDerWaalsContact O-CG1 3.29Å; L2201-I2205 WeakPolarHBondContact O-CG1 3.41Å; L2201-I2205 PolarHBondContact O-N 2.89Å
2202R86.3Confident84.1Confident96 Ų9646.6 Ų46.636%0.36226%0.255SS..Hα-helixtrans-58.8-39.4176.1-69.7170.4-175.9135.3-13112.2A2198 S2206A2198-R2202 WeakPolarHBondContact O-CB 3.35Å; A2198-R2202 WeakPolarHBondContact O-CD 3.36Å; A2198-R2202 WeakPolarHBondContact O-CG 3.41Å; A2198-R2202 PolarHBondContact O-N 3.1Å; A2198-R2202 VanDerWaalsContact O-N 3.07Å; R2202-S2206 VanDerWaalsContact O-CB 3.32Å; R2202-S2206 WeakPolarHBondContact O-CB 3.48Å; R2202-S2206 PolarHBondContact O-N 3.01Å; R2202-S2206 PolarHBondContact O-OG 2.88Å
2203Q88.4Confident83.8Confident110 Ų11047.8 Ų47.851%0.51427%0.269SS..Hα-helixtrans-64.8-42.5175.5-176.9-177.9-56.100112S2199 S2200 L2201 S2206 K2207S2199-Q2203 PolarHBondContact O-N 3.5Å; S2200-Q2203 PolarHBondContact O-N 3.04Å; L2201-Q2203 VanDerWaalsContact C-N 3.3Å; L2201-Q2203 PolarHBondContact O-N 2.83Å; Q2203-S2206 PolarHBondContact O-OG 3.37Å; Q2203-K2207 WeakPolarHBondContact O-CB 3.22Å; Q2203-K2207 PolarHBondContact O-N 3.08Å
2204I87.4Confident83.3Confident4 Ų448.5 Ų48.52%0.02127%0.268CS..Hα-helixtrans-65.3-49.8178.6-71.8163.3000110.5I1683 L1988 L1994 E1997 L1998 L2001 S2200 L2201 K2207 Y2208I1683-I2204 HydrophobicContact CD1-CB 4.3Å; I1683-I2204 HydrophobicContact CD1-CG2 3.62Å; L1988-I2204 HydrophobicContact CD1-CG2 4.04Å; L1994-I2204 HydrophobicContact CD1-CG2 3.55Å; E1997-I2204 HydrophobicContact CB-CD1 4.36Å; E1997-I2204 HydrophobicContact CB-CG1 4.14Å; L1998-I2204 HydrophobicContact CD2-CD1 4.38Å; L2001-I2204 HydrophobicContact CB-CD1 4.08Å; L2001-I2204 HydrophobicContact CD2-CD1 3.94Å; S2200-I2204 WeakPolarHBondContact O-CG1 3.27Å; S2200-I2204 PolarHBondContact O-N 2.91Å; L2201-I2204 PolarHBondContact O-N 3.38Å; L2201-I2204 VanDerWaalsContact O-N 3.14Å; I2204-K2207 PolarHBondContact O-N 2.82Å; I2204-Y2208 HydrophobicContact CG2-CD2 4.27Å; I2204-Y2208 WeakPolarHBondContact O-CB 3.31Å; I2204-Y2208 WeakPolarHBondContact O-CD2 3.21Å; I2204-Y2208 PolarHBondContact O-N 3.31Å
2205I85Confident82.8Confident18 Ų1853.1 Ų53.19%0.09229%0.291CS..Hα-helixtrans-58.7-55.9-179.3-66.4163.9000110.4V1677 I1683 L2201 K2207 Y2208 T2209V1677-I2205 HydrophobicContact CG1-CD1 3.96Å; V1677-I2205 HydrophobicContact CG1-CG1 3.98Å; V1677-I2205 HydrophobicContact CG1-CG2 4.01Å; V1677-I2205 HydrophobicContact CG2-CG1 4.01Å; V1677-I2205 HydrophobicContact CG2-CG2 4.23Å; I1683-I2205 HydrophobicContact CD1-CG1 4.25Å; I1683-I2205 HydrophobicContact CG1-CG1 4.29Å; L2201-I2205 VanDerWaalsContact O-CG1 3.29Å; L2201-I2205 WeakPolarHBondContact O-CG1 3.41Å; L2201-I2205 PolarHBondContact O-N 2.89Å; I2205-K2207 PolarHBondContact O-N 2.95Å; I2205-Y2208 PolarHBondContact O-N 3.04Å; I2205-T2209 WeakPolarHBondContact O-CB 3.36Å; I2205-T2209 PolarHBondContact O-N 3.16Å; I2205-T2209 PolarHBondContact O-OG1 2.81Å
2206S84.7Confident82Confident101 Ų10157.4 Ų57.471%0.70631%0.311SS*.Hα-helixtrans-63.4-15-177.558.50000115.4R2202 Q2203R2202-S2206 VanDerWaalsContact O-CB 3.32Å; R2202-S2206 WeakPolarHBondContact O-CB 3.48Å; R2202-S2206 PolarHBondContact O-N 3.01Å; R2202-S2206 PolarHBondContact O-OG 2.88Å; Q2203-S2206 PolarHBondContact O-OG 3.37Å
2207K88.5Confident81.3Confident105 Ų10554.5 Ų54.546%0.45730%0.295SS..Hα-helixtrans-104.4-25.6-177.3-177.7176.9166.6-164.30114.1E1997 Q2203 I2204 I2205E1997-K2207 IonicContact OE1-NZ 3.16Å; E1997-K2207 PolarHBondContact OE1-NZ 2.83Å; E1997-K2207 IonicContact OE2-NZ 3.82Å; E1997-K2207 PolarHBondContact OE2-NZ 3.08Å; Q2203-K2207 WeakPolarHBondContact O-CB 3.22Å; Q2203-K2207 PolarHBondContact O-N 3.08Å; I2204-K2207 PolarHBondContact O-N 2.82Å; I2205-K2207 PolarHBondContact O-N 2.95Å
2208Y87.6Confident80.3Confident21 Ų2155.3 Ų55.38%0.08230%0.303CS..Hα-helixtrans-122.5-5.2-171.7-64-73.4000114.8L1988 Q1989 S1991 A1993 L1994 E1997 I2204 I2205 L2210L1988-Y2208 CarbonylContact C-O 3.53Å; L1988-Y2208 WeakPolarHBondContact CA-O 3.43Å; Q1989-Y2208 PolarHBondContact N-O 2.95Å; S1991-Y2208 WeakPolarHBondContact OG-CE1 3.34Å; A1993-Y2208 VanDerWaalsContact C-OH 3.28Å; A1993-Y2208 HydrophobicContact CB-CE1 4.4Å; A1993-Y2208 WeakPolarHBondContact CB-OH 3.36Å; L1994-Y2208 HydrophobicContact CB-CD1 3.91Å; L1994-Y2208 HydrophobicContact CB-CD2 4.21Å; L1994-Y2208 HydrophobicContact CB-CE1 3.87Å; L1994-Y2208 HydrophobicContact CB-CE2 4.19Å; L1994-Y2208 HydrophobicContact CB-CG 4.08Å; L1994-Y2208 HydrophobicContact CD1-CD2 3.63Å; L1994-Y2208 HydrophobicContact CD1-CE2 4.11Å; L1994-Y2208 HydrophobicContact CD1-CG 3.89Å; L1994-Y2208 HydrophobicContact CG-CD2 4.46Å; L1994-Y2208 HydrophobicContact CG-CG 4.39Å; L1994-Y2208 PolarHBondContact N-OH 2.79Å; E1997-Y2208 PolarHBondContact OE1-OH 3.45Å; I2204-Y2208 HydrophobicContact CG2-CD2 4.27Å; I2204-Y2208 WeakPolarHBondContact O-CB 3.31Å; I2204-Y2208 WeakPolarHBondContact O-CD2 3.21Å; I2204-Y2208 PolarHBondContact O-N 3.31Å; I2205-Y2208 PolarHBondContact O-N 3.04Å; Y2208-L2210 PolarHBondContact O-N 3.31Å
2209T83.5Confident79.4Confident43 Ų4357.4 Ų57.426%0.26432%0.32SS..BIsolated β-bridgetrans-54.9129.7171.5-87.60000111.9E1986 I2205 S2211E1986-T2209 HydrophobicContact CB-CG2 4.31Å; E1986-T2209 HydrophobicContact CG-CG2 4.43Å; E1986-T2209 WeakPolarHBondContact OE1-CG2 3.33Å; E1986-T2209 WeakPolarHBondContact OE2-CB 3.48Å; E1986-T2209 WeakPolarHBondContact OE2-CG2 3.27Å; E1986-T2209 PolarHBondContact OE2-OG1 3.2Å; I2205-T2209 WeakPolarHBondContact O-CB 3.36Å; I2205-T2209 PolarHBondContact O-N 3.16Å; I2205-T2209 PolarHBondContact O-OG1 2.81Å; T2209-S2211 PolarHBondContact O-N 2.9Å
2210L78.2Confident78.5Confident50 Ų5056.5 Ų56.526%0.26231%0.314SS..  trans-86.4101.4171.5-71.9166.8000111.1L1987 Q1989 Y2208 T2212L1987-L2210 HydrophobicContact CB-CD1 4.29Å; L1987-L2210 HydrophobicContact CD2-CD1 3.93Å; L1987-L2210 HydrophobicContact CG-CD1 4.15Å; L1987-L2210 VanDerWaalsContact O-CB 3.32Å; L1987-L2210 WeakPolarHBondContact O-CB 3.45Å; L1987-L2210 PolarHBondContact O-N 3.28Å; Q1989-L2210 HydrophobicContact CB-CD1 4.27Å; Q1989-L2210 HydrophobicContact CB-CD2 3.81Å; Q1989-L2210 HydrophobicContact CB-CG 3.94Å; Q1989-L2210 HydrophobicContact CG-CD2 4.14Å; Y2208-L2210 PolarHBondContact O-N 3.31Å; L2210-T2212 HydrophobicContact CB-CG2 4.29Å; L2210-T2212 PolarHBondContact O-N 3.15Å; L2210-T2212 VanDerWaalsContact O-N 3.16Å; L2210-T2212 PolarHBondContact O-OG1 3.03Å
2211S74.7Confident77.5Confident120 Ų12055.5 Ų55.584%0.83931%0.306SS*.  trans-64.4112.9167.6-171.80000110.1T2209T2209-S2211 PolarHBondContact O-N 2.9Å
2212T73.6Confident76.3Confident41 Ų4158.7 Ų58.725%0.25232%0.323SS..  trans-147.9145.6-172.645.80000110R1982 L2210 E2216R1982-T2212 PolarHBondContact NH2-O 3.12Å; R1982-T2212 PolarHBondContact NH2-OG1 3.14Å; L2210-T2212 HydrophobicContact CB-CG2 4.29Å; L2210-T2212 PolarHBondContact O-N 3.15Å; L2210-T2212 VanDerWaalsContact O-N 3.16Å; L2210-T2212 PolarHBondContact O-OG1 3.03Å; T2212-E2216 HydrophobicContact CG2-CB 4.49Å
2213C75.5Confident75.1Confident77 Ų7758.2 Ų58.252%0.5233%0.328SS..  trans-61.4160.8173.4-69.60000111.3E2215 E2216 Y2217C2213-E2215 PolarHBondContact O-N 3.08Å; C2213-E2216 HydrophobicContact CB-CB 4.5Å; C2213-E2216 HydrophobicContact CB-CG 4.21Å; C2213-E2216 PolarHBondContact N-OE2 2.87Å; C2213-E2216 PolarHBondContact O-N 2.85Å; C2213-Y2217 VanDerWaalsContact O-CB 3.3Å; C2213-Y2217 WeakPolarHBondContact O-CB 3.37Å; C2213-Y2217 PolarHBondContact O-N 2.88Å
2214F70.1Confident73.6Confident49 Ų4955.6 Ų55.622%0.21532%0.32CS..Hα-helixtrans-58.5-38.6179.8174.9-97.6000111.9W1979 R1982 Y2217 A2218W1979-F2214 HydrophobicContact CD2-CG 4.48Å; W1979-F2214 HydrophobicContact CE3-CB 3.87Å; W1979-F2214 AromaticContact CE3-CD1 3.54Å; W1979-F2214 HydrophobicContact CE3-CD1 3.54Å; W1979-F2214 AromaticContact CE3-CD2 3.82Å; W1979-F2214 HydrophobicContact CE3-CD2 3.82Å; W1979-F2214 HydrophobicContact CE3-CE1 4Å; W1979-F2214 HydrophobicContact CE3-CE2 4.26Å; W1979-F2214 AromaticContact CE3-CG 3.44Å; W1979-F2214 HydrophobicContact CE3-CG 3.44Å; W1979-F2214 VanDerWaalsContact CE3-CG 3.44Å; W1979-F2214 HydrophobicContact CE3-CZ 4.35Å; W1979-F2214 HydrophobicContact CH2-CB 4.01Å; W1979-F2214 HydrophobicContact CH2-CG 4.48Å; W1979-F2214 HydrophobicContact CZ3-CB 3.37Å; W1979-F2214 AromaticContact CZ3-CD1 3.57Å; W1979-F2214 HydrophobicContact CZ3-CD1 3.57Å; W1979-F2214 HydrophobicContact CZ3-CD2 4.25Å; W1979-F2214 HydrophobicContact CZ3-CE1 4.44Å; W1979-F2214 AromaticContact CZ3-CG 3.45Å; W1979-F2214 HydrophobicContact CZ3-CG 3.45Å; W1979-F2214 VanDerWaalsContact CZ3-CG 3.45Å; R1982-F2214 HydrophobicContact CB-CD2 3.85Å; R1982-F2214 HydrophobicContact CB-CE2 4.32Å; R1982-F2214 HydrophobicContact CG-CD2 3.87Å; F2214-Y2217 HydrophobicContact CD2-CD1 4.45Å; F2214-Y2217 PolarHBondContact O-N 2.71Å; F2214-A2218 VanDerWaalsContact O-CB 3.26Å; F2214-A2218 WeakPolarHBondContact O-CB 3.32Å; F2214-A2218 PolarHBondContact O-N 3.3Å
2215E72.8Confident71.8Confident120 Ų12057.9 Ų57.956%0.56133%0.332SS*.Hα-helixtrans-67.4-40.8179.4-61.870-156.400111.6C2213 A2219C2213-E2215 PolarHBondContact O-N 3.08Å; E2215-A2219 WeakPolarHBondContact O-CB 3.44Å; E2215-A2219 PolarHBondContact O-N 3.35Å
2216E68.8Low69.7Low112 Ų11261 Ų6152%0.52336%0.355SS..Hα-helixtrans-70.1-41.7175.6-65.7-177.1129.700111.8T2212 C2213 A2219 S2220T2212-E2216 HydrophobicContact CG2-CB 4.49Å; C2213-E2216 HydrophobicContact CB-CB 4.5Å; C2213-E2216 HydrophobicContact CB-CG 4.21Å; C2213-E2216 PolarHBondContact N-OE2 2.87Å; C2213-E2216 PolarHBondContact O-N 2.85Å; E2216-A2219 PolarHBondContact O-N 2.82Å; E2216-S2220 WeakPolarHBondContact O-CB 3.37Å; E2216-S2220 PolarHBondContact O-N 3.49Å; E2216-S2220 PolarHBondContact O-OG 3.46Å
2217Y69.7Low67.5Low1 Ų165.9 Ų65.90%0.00436%0.364CS..Hα-helixtrans-58.6-54.9173.5163-94.3000110.4Y1976 R1982 V1985 C2213 F2214 A2219 S2220 I2221Y1976-Y2217 PolarHBondContact O-OH 2.97Å; R1982-Y2217 VanDerWaalsContact NE-CG 3.32Å; V1985-Y2217 WeakPolarHBondContact CB-OH 3.5Å; V1985-Y2217 HydrophobicContact CG1-CE2 4.33Å; V1985-Y2217 VanDerWaalsContact CG1-OH 3.29Å; V1985-Y2217 WeakPolarHBondContact CG1-OH 3.38Å; V1985-Y2217 WeakPolarHBondContact O-CE2 3.46Å; C2213-Y2217 VanDerWaalsContact O-CB 3.3Å; C2213-Y2217 WeakPolarHBondContact O-CB 3.37Å; C2213-Y2217 PolarHBondContact O-N 2.88Å; F2214-Y2217 HydrophobicContact CD2-CD1 4.45Å; F2214-Y2217 PolarHBondContact O-N 2.71Å; Y2217-A2219 VanDerWaalsContact C-N 3.33Å; Y2217-A2219 PolarHBondContact O-N 3.04Å; Y2217-S2220 PolarHBondContact O-N 2.93Å; Y2217-S2220 VanDerWaalsContact O-N 3.12Å; Y2217-S2220 PolarHBondContact O-OG 3.4Å; Y2217-I2221 HydrophobicContact CD1-CD1 4.33Å; Y2217-I2221 HydrophobicContact CD2-CD1 4.08Å; Y2217-I2221 HydrophobicContact CE1-CD1 3.78Å; Y2217-I2221 HydrophobicContact CE2-CD1 3.49Å; Y2217-I2221 VanDerWaalsContact CE2-CD1 3.49Å; Y2217-I2221 HydrophobicContact CE2-CG1 4.44Å; Y2217-I2221 HydrophobicContact CG-CD1 4.47Å; Y2217-I2221 WeakPolarHBondContact O-CG1 3.49Å; Y2217-I2221 PolarHBondContact O-N 2.9Å; Y2217-I2221 WeakPolarHBondContact OH-CD1 3.39Å
2218A67.3Low64.8Low22 Ų2265.8 Ų65.818%0.18238%0.377CS..Hα-helixtrans-58.7-45177.500000111F2214 S2220 I2221 L2222F2214-A2218 VanDerWaalsContact O-CB 3.26Å; F2214-A2218 WeakPolarHBondContact O-CB 3.32Å; F2214-A2218 PolarHBondContact O-N 3.3Å; A2218-S2220 PolarHBondContact O-N 3.43Å; A2218-I2221 PolarHBondContact O-N 3.22Å; A2218-L2222 VanDerWaalsContact O-CB 3.3Å; A2218-L2222 WeakPolarHBondContact O-CB 3.42Å; A2218-L2222 WeakPolarHBondContact O-CD1 3.29Å; A2218-L2222 WeakPolarHBondContact O-CG 3.44Å; A2218-L2222 PolarHBondContact O-N 2.63Å
2219A67.3Low62.2Low45 Ų4570.4 Ų70.437%0.37241%0.407SS..Hα-helixtrans-59.6-42.8175.200000112.6E2215 E2216 Y2217 L2222 L2223E2215-A2219 WeakPolarHBondContact O-CB 3.44Å; E2215-A2219 PolarHBondContact O-N 3.35Å; E2216-A2219 PolarHBondContact O-N 2.82Å; Y2217-A2219 VanDerWaalsContact C-N 3.33Å; Y2217-A2219 PolarHBondContact O-N 3.04Å; A2219-L2222 PolarHBondContact O-N 3.21Å; A2219-L2223 CarbonylContact O-C 3.58Å; A2219-L2223 WeakPolarHBondContact O-CA 3.48Å; A2219-L2223 WeakPolarHBondContact O-CB 3.46Å; A2219-L2223 PolarHBondContact O-N 2.81Å
2220S66.5Low59.8Low29 Ų2974.5 Ų74.520%0.20342%0.423CS..Hα-helixtrans-69.4-32.3-179.469.70000113.8E2216 Y2217 A2218 P2224E2216-S2220 WeakPolarHBondContact O-CB 3.37Å; E2216-S2220 PolarHBondContact O-N 3.49Å; E2216-S2220 PolarHBondContact O-OG 3.46Å; Y2217-S2220 PolarHBondContact O-N 2.93Å; Y2217-S2220 VanDerWaalsContact O-N 3.12Å; Y2217-S2220 PolarHBondContact O-OG 3.4Å; A2218-S2220 PolarHBondContact O-N 3.43Å; S2220-P2224 WeakPolarHBondContact O-CA 3.09Å
2221I64.6Low57.4Low1 Ų181.2 Ų81.21%0.00545%0.452CS..Hα-helixtrans-72.1-45.5172.7-64.5-175.8000110.8Q1674 F1676 R1968 L1971 L1977 Y2217 A2218Q1674-I2221 PolarHBondContact NE2-O 3.18Å; F1676-I2221 HydrophobicContact CD1-CD1 4.49Å; F1676-I2221 HydrophobicContact CE1-CD1 3.68Å; F1676-I2221 HydrophobicContact CE1-CG1 3.81Å; F1676-I2221 HydrophobicContact CZ-CG1 4.39Å; R1968-I2221 HydrophobicContact CG-CG2 4.27Å; L1971-I2221 HydrophobicContact CD1-CG2 4.33Å; L1977-I2221 HydrophobicContact CD2-CD1 4.32Å; L1977-I2221 HydrophobicContact CD2-CG2 4.21Å; Y2217-I2221 HydrophobicContact CD1-CD1 4.33Å; Y2217-I2221 HydrophobicContact CD2-CD1 4.08Å; Y2217-I2221 HydrophobicContact CE1-CD1 3.78Å; Y2217-I2221 HydrophobicContact CE2-CD1 3.49Å; Y2217-I2221 VanDerWaalsContact CE2-CD1 3.49Å; Y2217-I2221 HydrophobicContact CE2-CG1 4.44Å; Y2217-I2221 HydrophobicContact CG-CD1 4.47Å; Y2217-I2221 WeakPolarHBondContact O-CG1 3.49Å; Y2217-I2221 PolarHBondContact O-N 2.9Å; Y2217-I2221 WeakPolarHBondContact OH-CD1 3.39Å; A2218-I2221 PolarHBondContact O-N 3.22Å
2222L61.6Low55.1Low68 Ų6881.9 Ų81.936%0.35645%0.446SS..Hα-helixtrans-70.2-34.3-178.4-65.9169.3000112.3R1968 A2218 A2219R1968-L2222 VanDerWaalsContact CZ-CD2 3.5Å; R1968-L2222 PolarHBondContact NH1-O 3.07Å; A2218-L2222 VanDerWaalsContact O-CB 3.3Å; A2218-L2222 WeakPolarHBondContact O-CB 3.42Å; A2218-L2222 WeakPolarHBondContact O-CD1 3.29Å; A2218-L2222 WeakPolarHBondContact O-CG 3.44Å; A2218-L2222 PolarHBondContact O-N 2.63Å; A2219-L2222 PolarHBondContact O-N 3.21Å
2223L61.2Low52.9Low86 Ų8688.8 Ų88.845%0.4548%0.476SS..  trans-14877.6-169.5-69.8165.3000111.5T1961 A2219 N2225T1961-L2223 HydrophobicContact CG2-CD2 3.58Å; A2219-L2223 CarbonylContact O-C 3.58Å; A2219-L2223 WeakPolarHBondContact O-CA 3.48Å; A2219-L2223 WeakPolarHBondContact O-CB 3.46Å; A2219-L2223 PolarHBondContact O-N 2.81Å; L2223-N2225 PolarHBondContact O-N 3.43Å
2224P56.9Low50.5Low55 Ų5590.2 Ų90.236%0.35749%0.487SS..THydrogen-bonded Turntrans-61.9-24.8-177.620.8-32.1000115F1964 S2220F1964-P2224 HydrophobicContact CD2-CG 4.16Å; F1964-P2224 HydrophobicContact CE2-CG 3.92Å; S2220-P2224 WeakPolarHBondContact O-CA 3.09Å
2225N48.8Very low48.3Very low52 Ų5295.5 Ų95.528%0.27852%0.517SS..THydrogen-bonded Turntrans-98.827-168-69.9-16.8000115.8L2223 K2227L2223-N2225 PolarHBondContact O-N 3.43Å; N2225-K2227 VanDerWaalsContact C-N 3.27Å; N2225-K2227 PolarHBondContact O-N 3.43Å; N2225-K2227 VanDerWaalsContact O-N 3.16Å
2226S42.3Very low46Very low82 Ų8298.3 Ų98.357%0.57354%0.535SS*.THydrogen-bonded Turntrans-72-5-171.560.30000116.8
2227K37.1Very low43.8Very low204 Ų20498 Ų9889%0.88755%0.545SS*.THydrogen-bonded Turntrans-101.510.2-166.3-73.1-172.8175.2177.30117.2N2225N2225-K2227 VanDerWaalsContact C-N 3.27Å; N2225-K2227 PolarHBondContact O-N 3.43Å; N2225-K2227 VanDerWaalsContact O-N 3.16Å
2228S33.3Very low41.7Very low104 Ų104106.3 Ų106.373%0.72759%0.589SS**  trans-96.20.3179.857.50000115.7H2230S2228-H2230 PolarHBondContact O-N 3.3Å
2229V33.2Very low39.6Very low118 Ų118113 Ų11372%0.71562%0.622SS**SBendtrans-79.986.6-173.5-171.20000112.5
2230H32.1Very low37.6Very low129 Ų129122.7 Ų122.760%0.59765%0.649SS**  trans47.395.1155.9-67.6-71.9000119.9S2228 N2232S2228-H2230 PolarHBondContact O-N 3.3Å; H2230-N2232 PolarHBondContact O-N 2.9Å
2231H27.2Very low35.5Very low191 Ų191124.7 Ų124.788%0.88467%0.674SS**  trans-72.373.3144.6-90.6-39.2000111.1
2232N27.4Very low33.5Very low133 Ų133131.5 Ų131.571%0.71172%0.716SS**  trans-100.9109.7161.5-90.6-21.8000108.8H2230 S2234H2230-N2232 PolarHBondContact O-N 2.9Å; N2232-S2234 PolarHBondContact O-N 3.48Å
2233Q26.2Very low31.8Very low187 Ų187135.1 Ų135.187%0.87474%0.74SS**  trans-80.5109-173.2-66.8179.7-9.900111.6
2234S26Very low29.9Very low107 Ų107135.3 Ų135.375%0.74875%0.748SS**  trans-136.277168.466.60000112.1N2232 L2236N2232-S2234 PolarHBondContact O-N 3.48Å; S2234-L2236 PolarHBondContact O-N 2.68Å
2235N24.1Very low28.2Very low160 Ų160141.7 Ų141.786%0.85677%0.771SS**  trans36.178.6155.1-62.8-15.7000118.4
2236L24.7Very low26.9Very low178 Ų178145.3 Ų145.393%0.93280%0.8SS**  trans-126.6102.6145.7-79.7178.8000109.4S2234S2234-L2236 PolarHBondContact O-N 2.68Å
2237S23.2Very low25.9Very low106 Ų106145.1 Ų145.174%0.74181%0.811SS**  trans-87.1108.1-173.854.50000112.3
2238L24.7Very low25.1Very low175 Ų175139.3 Ų139.392%0.91681%0.809SS**  trans-121.486.7152.2-93.895.1000109.8R2240L2238-R2240 PolarHBondContact O-N 3.23Å
2239N23.4Very low24.6Very low163 Ų163141 Ų14187%0.87282%0.815SS**  trans-66.6125166.6-80.5-20.5000109.8
2240R24.1Very low24.1Very low248 Ų248145 Ų14594%0.93682%0.822SS**  trans-137.1102.3149-152.3170.9-165.31744.6109L2238L2238-R2240 PolarHBondContact O-N 3.23Å
2241G24.2Very low23.6Very low72 Ų72148.9 Ų148.974%0.74284%0.838SS**  trans-68.8150.8-17000000113.7
2242V22.8Very low23.5Very low144 Ų144144.9 Ų144.987%0.87383%0.831SS**  trans-72.7127.7170.5175.30000109.6
2243V24.7Very low23.4Very low144 Ų144146.4 Ų146.487%0.87384%0.84SS**  trans-128.3146.6159.3-1800000108.1
2244S21.7Very low23.3Very low89 Ų89144.1 Ų144.162%0.62284%0.838SS**  trans-111.3157.9-156.268.80000115.5
2245K20.5Very low23.5Very low190 Ų190144.4 Ų144.483%0.82684%0.837SS**  trans85.3133.6153.8-66.7173.8176.3174.80120.1
2246S21.6Very low23.8Very low127 Ų127142.5 Ų142.589%0.88883%0.834SS**  trans76.2149.9148.372.90000118.9
2247G22.1Very low23.7Very low78 Ų78141.3 Ų141.380%0.80483%0.827SS**  trans105.369176.500000114.9
2248G20.9Very low23.8Very low83 Ų83142.3 Ų142.386%0.85683%0.829SS**  trans-87.2126.4169.600000111.9
2249V22.9Very low23.7Very low139 Ų139143.4 Ų143.484%0.84283%0.829SS**  trans-128.5144.7166179.40000108.3
2250K21.7Very low23.7Very low202 Ų202144.1 Ų144.188%0.87883%0.827SS**  trans-73.8137.4-169.5-57.8176.1-179.1-178.90111.7
2251F22.5Very low23.6Very low210 Ų210137.5 Ų137.592%0.92181%0.814SS**  trans-84.4149.6153.9-83.9-99.3000109.4
2252S24.3Very low23.5Very low107 Ų107143.3 Ų143.375%0.74882%0.815SS**  trans-139.2159.1173.356.40000109.5
2253D24.8Very low23.6Very low165 Ų165144 Ų14488%0.88281%0.809SS**  trans-76.1170-152.4-55.2-88.7000117.5
2254V25.3Very low23.4Very low140 Ų140141 Ų14185%0.84880%0.795SS**  trans-106.6144.6-175.41720000109.8
2255P30.5Very low23.5Very low112 Ų112147.6 Ų147.673%0.72781%0.807SS**  trans-108.7162.1-144.739.6-36.3000116.7
2256P28.4Very low23.8Very low121 Ų121143.2 Ų143.279%0.78680%0.801SS**  trans-95.8113165.234.5-29.2000113.4
2257I24.4Very low23.9Very low153 Ų153145 Ų14579%0.78580%0.795SS**  trans43.2100.5138.2-57.2178.9000119.5
2258T24.8Very low24.2Very low127 Ų127147.8 Ų147.878%0.77979%0.791SS**  trans49115.3143.364.80000122.8
2259Q23Very low24.4Very low198 Ų198148.7 Ų148.793%0.92579%0.785SS**  -149.8174.4119.9-110.31757.300109.6
2260E23.2Very low24.6Very low177 Ų177147.9 Ų147.983%0.82778%0.78SS**  trans-102.2162.8-145.4-59.2-175.3114.300118.6
2261T22.2Very low24.8Very low109 Ų109143.5 Ų143.567%0.66978%0.775SS**  trans89.5120.8147.130.80000124.4
2262Y21Very low25Very low195 Ų195140.4 Ų140.477%0.76577%0.768SS**  trans91112.4144.7-65.6-54.5000124.8
2263H24.3Very low25Very low157 Ų157142.9 Ų142.973%0.72777%0.772SS**  trans77.784.2139-70.7-57.2000125
2264S22.3Very low25.2Very low83 Ų83139.2 Ų139.258%0.5876%0.764SS**  37.9127.1115.760.50000123.7
2265Y23.2Very low26.5Very low226 Ų226138.3 Ų138.389%0.88676%0.761SS**  -173169.7117.3-106.9-74.2000114.6
2266S25.8Very low26.5Very low99 Ų99140.4 Ų140.469%0.69277%0.767SS**  trans-72.8-179.6-167.449.20000120
2267Q25.2Very low26.4Very low164 Ų164141.6 Ų141.677%0.76677%0.767SS**  cis174170-32.2-156.7-177.415.400110.7
2268N27.5Very low26.5Very low136 Ų136140.1 Ų140.173%0.72776%0.764SS**  trans77.8157.4163-56.6-25.3000118.7
2269S25.6Very low26.7Very low103 Ų103140.8 Ų140.872%0.7277%0.768SS**  cis178.9165-10.147.60000109.7
2270T26.6Very low26.7Very low122 Ų122138.4 Ų138.475%0.74876%0.762SS**  cis-175.1170-13.632.80000111.1
2271S25.6Very low26.8Very low109 Ų109135.6 Ų135.676%0.76275%0.753SS**  trans66.4158152480000123
2272D26.2Very low27Very low146 Ų146137.2 Ų137.278%0.78176%0.757SS**  cis-173.3175.3-35.9-138.9-68.5000114
2273L25.7Very low27.2Very low159 Ų159134.8 Ų134.883%0.83276%0.758SS**  trans65.4164.6163.9-61.5175.1000120.7
2274A29Very low27.3Very low87 Ų87135 Ų13572%0.71976%0.764SS**  cis-167.4167.6-28.300000113
2275P51.2Low27.4Very low121 Ų121136.5 Ų136.579%0.78677%0.77SS**  trans-130.5176.5-170.743.5-29.2000118.7
2276N30.3Very low27.3Very low156 Ų156132.4 Ų132.483%0.83476%0.762SS**  trans-156.4137.9172.7-90.6-25.4000115.7
2277D27.4Very low27.1Very low147 Ų147136.1 Ų136.179%0.78677%0.766SS**  trans32158131.6-73.88.1000125.1
2278V26.5Very low27.1Very low121 Ų121135.9 Ų135.973%0.73377%0.765SS**  cis-172.9176.6-27.8120.90000108.2
2279T28.3Very low26.8Very low141 Ų141133.9 Ų133.987%0.86576%0.758SS**  trans122.1175.2165.567.30000116.2
2280N23.6Very low26.7Very low148 Ų148136.1 Ų136.179%0.79176%0.762SS**  trans-166.1178.6-155.3-172.725.2000113.1
2281N25.9Very low26.6Very low118 Ų118137.9 Ų137.963%0.63177%0.766SS**  trans99.3123.8157.7-81.3-8.3000122.3
2282N26.8Very low26.5Very low143 Ų143137.7 Ų137.777%0.76576%0.76SS**  trans83.9140.3134.7-68.8-13.1000123.8
2283N24.5Very low26.4Very low145 Ų145137.9 Ų137.978%0.77577%0.767SS**  trans-70.5153.5177.2-46.2-51.8000112.8
2284N26.4Very low26.3Very low160 Ų160138.6 Ų138.686%0.85677%0.766SS**  -168.6169.9119.4-101.8-23.5000114.9
2285T23.5Very low26Very low115 Ų115141 Ų14171%0.70677%0.772SS**  trans-87.1145.9-162.348.40000117.4
2286L21.3Very low24.9Very low140 Ų140141.2 Ų141.273%0.73377%0.773SS**  trans70.6131.2142.8-98.872.2000121.9
2287K21.4Very low24.5Very low177 Ų177139.2 Ų139.277%0.7777%0.772SS**  trans64.5123.3156.5-58.2175.5177.7179.40115.5
2288H25.3Very low24.4Very low159 Ų159138.6 Ų138.674%0.73677%0.773SS**  -156.6148.262.8-128.2-91.9000114.6
2289T22.3Very low24.1Very low95 Ų95144.1 Ų144.158%0.58378%0.781SS**  trans18.9125.3151.652.40000121.7
2290D22.9Very low23.9Very low150 Ų150145.2 Ų145.280%0.80278%0.776SS**  47.3109.4125.5-41.8-38.2000119.7
2291D24.1Very low23.7Very low159 Ų159149 Ų14985%0.8578%0.779SS**  -156.2168.2106-137.7-28.2000113.5
2292V23.8Very low23.6Very low104 Ų104151.2 Ų151.263%0.6379%0.786SS**  trans-75.3139.5-166.7175.30000114.2Q2294V2292-Q2294 HydrophobicContact CG1-CG 4.15Å
2293T24.3Very low23.3Very low150 Ų150152.4 Ų152.492%0.9279%0.787SS**  trans-151.1141143-40000111.5
2294Q22.9Very low23.2Very low174 Ų174151.4 Ų151.481%0.81379%0.786SS**  trans-105.6137.8-167.6-62.2171.5-5.700112.1V2292V2292-Q2294 HydrophobicContact CG1-CG 4.15Å
2295T23.3Very low23Very low139 Ų139150 Ų15085%0.85378%0.783SS**  trans-133.4148.4156.849.80000110.4
2296P28.8Very low22.9Very low124 Ų124150 Ų15081%0.80579%0.788SS**  trans-96.1125.4-157.934.6-33.6000114.3
2297S22.4Very low23Very low115 Ų115149.3 Ų149.380%0.80479%0.789SS**  trans-92.3111.4171.152.40000111.9R2299S2297-R2299 PolarHBondContact O-N 2.91Å
2298V24.1Very low23.1Very low134 Ų134146 Ų14681%0.81279%0.788SS**  trans-68.9115174.7175.70000109.8Q2300V2298-Q2300 PolarHBondContact O-N 3.05Å; V2298-Q2300 VanDerWaalsContact O-N 3.14Å
2299R21.4Very low23Very low236 Ų236143.8 Ų143.889%0.89179%0.791SS**  trans-8192.3179.9-122.1179.1-178.8165.81.4111.3S2297 R2301S2297-R2299 PolarHBondContact O-N 2.91Å; R2299-R2301 PolarHBondContact O-N 2.86Å
2300Q23.2Very low23Very low164 Ų164148.3 Ų148.377%0.76681%0.805SS**  trans-60.1133.6166.8-73.1178.8-31.200110.3V2298 Q2302V2298-Q2300 PolarHBondContact O-N 3.05Å; V2298-Q2300 VanDerWaalsContact O-N 3.14Å; Q2300-Q2302 PolarHBondContact O-N 3Å
2301R20.2Very low23Very low228 Ų228152.2 Ų152.286%0.8681%0.808SS**  trans-81.790.7173.1-75.6-177.6174177.5-1.3110.2R2299 Q2303R2299-R2301 PolarHBondContact O-N 2.86Å; R2301-Q2303 PolarHBondContact O-N 3.46Å
2302Q22.2Very low22.9Very low164 Ų164148.6 Ų148.677%0.76680%0.8SS**  trans-78.8103.1158.9-74-178.3-20.400108.7Q2300 T2304Q2300-Q2302 PolarHBondContact O-N 3Å; Q2302-T2304 PolarHBondContact O-N 2.7Å
2303Q21.5Very low22.9Very low168 Ų168149.8 Ų149.879%0.78581%0.808SS**  trans-80.686.3166.2-74.7178.4-98.800108.6R2301 V2305R2301-Q2303 PolarHBondContact O-N 3.46Å; Q2303-V2305 PolarHBondContact O-N 2.91Å
2304T21.9Very low22.9Very low124 Ų124146.6 Ų146.676%0.76179%0.792SS**  trans-69.295.4167.9360000109.6Q2302 S2306Q2302-T2304 PolarHBondContact O-N 2.7Å; T2304-S2306 PolarHBondContact O-N 2.62Å; T2304-S2306 VanDerWaalsContact O-N 3.15Å
2305V22.5Very low23Very low131 Ų131143.1 Ų143.179%0.79479%0.793SS**  trans-62.9112.4167.8177.80000107.5Q2303 V2307Q2303-V2305 PolarHBondContact O-N 2.91Å; V2305-V2307 PolarHBondContact O-N 3.19Å
2306S22.2Very low23Very low115 Ų115144.1 Ų144.180%0.80479%0.787SS**  trans-79.988.6-172.157.30000111.4T2304 S2308T2304-S2306 PolarHBondContact O-N 2.62Å; T2304-S2306 VanDerWaalsContact O-N 3.15Å; S2306-S2308 PolarHBondContact O-N 3.42Å
2307V23.5Very low22.7Very low125 Ų125143.3 Ų143.376%0.75879%0.785SS**  trans-59.7132.3161.8-179.70000108.5V2305 S2309V2305-V2307 PolarHBondContact O-N 3.19Å; V2307-S2309 PolarHBondContact O-N 3.29Å
2308S21.7Very low22.7Very low107 Ų107148.4 Ų148.475%0.74879%0.786SS**  trans-70.9100.1-174.251.70000111.6S2306S2306-S2308 PolarHBondContact O-N 3.42Å
2309S23Very low22.6Very low114 Ų114148.7 Ų148.780%0.79779%0.789SS**  trans-94124.7170.434.30000110.1V2307V2307-S2309 PolarHBondContact O-N 3.29Å
2310H23.1Very low22.7Very low190 Ų190143.1 Ų143.188%0.8879%0.786SS**  trans-73.2133.6171.9-69.3-99.7000109.7
2311R22.2Very low22.6Very low232 Ų232140.6 Ų140.688%0.87579%0.786SS**  trans-148.5119.6162.7-168.5169.4-172.1168.65.1110.4
2312A22.9Very low22.8Very low83 Ų83136.2 Ų136.269%0.68679%0.785SS**  trans-75.2150.1169.900000110.5
2313T24.4Very low22.8Very low129 Ų129134.9 Ų134.979%0.79179%0.788SS**  trans-146.5122.5162.544.30000109.2
2314S24Very low22.8Very low82 Ų82138.7 Ų138.757%0.57380%0.795SS**  trans-85.5133.2178.159.80000112
2315A24.8Very low22.9Very low102 Ų102136.6 Ų136.684%0.84379%0.79SS**  trans-151.4145.2164.400000110.8
2316H23.8Very low23Very low159 Ų159140.6 Ų140.674%0.73680%0.797SS**  trans-92.9145-167.4-68.8-69.1000115.6
2317S22.2Very low23.1Very low107 Ų107140.2 Ų140.275%0.74880%0.795SS**  trans84.5146.4139.982.30000121.3
2318R21.6Very low23.2Very low222 Ų222143 Ų14384%0.83880%0.801SS**  trans62.979.2154.9-70.3-179.6175.9-177.9-0.8119.1S2320R2318-S2320 PolarHBondContact O-N 3.09Å
2319T23Very low23.3Very low140 Ų140148.1 Ų148.186%0.85981%0.811SS**  16.597.5115.7580000117.7
2320S22.4Very low23.5Very low119 Ų119148 Ų14883%0.83281%0.81SS**  trans-154.1136.1138.562.20000110.6R2318R2318-S2320 PolarHBondContact O-N 3.09Å
2321S22.2Very low23.5Very low111 Ų111149.5 Ų149.578%0.77681%0.808SS**  trans-74.5139.8174.5520000111.4
2322V22.8Very low23.7Very low137 Ų137147.5 Ų147.583%0.8381%0.808SS**  -173.4143.8112.2145.70000110.4
2323T23Very low23.7Very low135 Ų135150.4 Ų150.483%0.82881%0.807SS**  trans-80131.1-176.3350000113.9
2324R22Very low23.8Very low248 Ų248151.3 Ų151.394%0.93681%0.812SS**  trans-154.7152.5146.2-143.9164.4179.9153.30.8114.7
2325A23.8Very low23.8Very low80 Ų80152.5 Ų152.566%0.66181%0.812SS**  trans-16.2137176.200000118.1
2326K24.3Very low23.7Very low215 Ų215153.9 Ų153.994%0.93581%0.805SS**  cis52.471.844.4-79.1-168174.3179.70115.5
2327S24.6Very low23.7Very low108 Ų108154.6 Ų154.676%0.75581%0.814SS**  trans-170.8124.9140.7570000113
2328M24.7Very low23.7Very low183 Ų183156.4 Ų156.490%0.90182%0.815SS**  -178.3106.1125.1-100.7-174.2-173.400111.5
2329F25.5Very low23.8Very low215 Ų215152.3 Ų152.394%0.94382%0.815SS**SBendtrans-118.2139.3142.6-98.8-81.8000106.2
2330S26.2Very low23.8Very low111 Ų111155 Ų15578%0.77682%0.815SS**  trans-72.7138.1-159.4-159.90000114.1
2331R23.1Very low24Very low221 Ų221155.5 Ų155.583%0.83482%0.815SS**  trans-71158.9153.9-77.6175.3164161.1-7.3110
2332H26.4Very low24Very low190 Ų190157.2 Ų157.288%0.8881%0.814SS**  trans-125.5156.1142.2-87.1-32.8000108.8
2333H23.7Very low23.9Very low145 Ų145156.2 Ų156.267%0.67181%0.813SS**  trans-78.8144.8-175.4-85.9-130.8000112.3D2335H2333-D2335 IonicContact CE1-OD1 3.4Å; H2333-D2335 IonicContact CG-OD1 3.53Å; H2333-D2335 IonicContact ND1-OD1 3.8Å; H2333-D2335 PolarHBondContact ND1-OD1 3.36Å; H2333-D2335 IonicContact ND1-OD2 3.71Å
2334V25.8Very low23.9Very low148 Ų148156 Ų15690%0.89781%0.811SS**  -126.6139.8122.8179.70000105.6
2335D24.8Very low23.9Very low106 Ų106150.7 Ų150.757%0.56781%0.806SS**  trans-82159.9-162.2-70.4-69000115.9H2333H2333-D2335 IonicContact CE1-OD1 3.4Å; H2333-D2335 IonicContact CG-OD1 3.53Å; H2333-D2335 IonicContact ND1-OD1 3.8Å; H2333-D2335 PolarHBondContact ND1-OD1 3.36Å; H2333-D2335 IonicContact ND1-OD2 3.71Å
2336N22.4Very low23.7Very low132 Ų132151.3 Ų151.371%0.70681%0.806SS**  trans9.5122.7153.4-62.2-47.7000118.3
2337L24.3Very low24.1Very low174 Ų174148.5 Ų148.591%0.91180%0.796SS**  -148.9127.8111.3-111167000110.9
2338N21.2Very low24.8Very low144 Ų144147.5 Ų147.577%0.7779%0.787SS**  trans-81116.7177.3-78.8-61.1000110.7
2339T24.6Very low24.7Very low137 Ų137144.2 Ų144.284%0.8478%0.782SS**  trans-131.4129.2147.545.60000108.8
2340K22.4Very low24.8Very low197 Ų197142.3 Ų142.386%0.85778%0.781SS**  trans-74.3148.4178.4-78.7-177.9176.4178.10110.1I2342K2340-I2342 PolarHBondContact O-N 2.74Å
2341P25.6Very low24.5Very low129 Ų129146.9 Ų146.984%0.83879%0.787SS**  trans-67.4127.6177.528.6-34.3000110.3
2342I22.6Very low24.6Very low147 Ų147142.8 Ų142.875%0.75479%0.787SS**  trans-105.1120.8161.8-65.1179.2000106.8K2340 V2344K2340-I2342 PolarHBondContact O-N 2.74Å; I2342-V2344 HydrophobicContact CG2-CG2 4.31Å; I2342-V2344 PolarHBondContact O-N 2.81Å
2343S20.7Very low24.3Very low116 Ų116141 Ų14181%0.81178%0.784SS**  trans-66.9122.9170.749.50000110.2
2344V23Very low24.2Very low130 Ų130139.4 Ų139.479%0.78879%0.789SS**  trans-124.4129.2164.1-176.80000108.2I2342I2342-V2344 HydrophobicContact CG2-CG2 4.31Å; I2342-V2344 PolarHBondContact O-N 2.81Å
2345T21.7Very low24Very low137 Ų137137.9 Ų137.984%0.8478%0.78SS**  trans-75.2167-176.934.10000113.2
2346S21Very low24Very low93 Ų93138.6 Ų138.665%0.6579%0.788SS**  trans-75.1142.1-175.949.90000115
2347Q32.7Very low23.9Very low155 Ų155140.3 Ų140.372%0.72480%0.796SS**  trans70.8162.8153-78.6-177.8-9.100116.5P361P361-Q2347 HydrophobicContact CG-CB 4.2Å
2348P37.9Very low23.9Very low87 Ų87139.2 Ų139.257%0.56579%0.786SS**  cis-128-159.120.842.9-25.2000116.9F363F363-P2348 HydrophobicContact CE2-CG 4.37Å; F363-P2348 HydrophobicContact CZ-CG 4.15Å
2349S22.9Very low24Very low114 Ų114138.8 Ų138.880%0.79778%0.779SS**  trans-74158.6-16354.10000117.9
2350L27.3Very low24Very low176 Ų176139.4 Ų139.492%0.92177%0.772SS**  trans-125.2156.3161.9-91.8168.5000112.2
2351K21.2Very low24Very low206 Ų206135.3 Ų135.390%0.89676%0.76SS**  trans-89.1153.3-166.2-60.6176.4178.7179.10113.5
2352T25.3Very low23.9Very low136 Ų136136.9 Ų136.983%0.83476%0.756SS**  trans-107.2145.2163.948.60000110.6
2353N19.7Very low23.9Very low153 Ų153136.1 Ų136.182%0.81876%0.758SS**  trans-160146.3174.6-122.84.1000110
2354S20.4Very low25.1Very low111 Ų111135.6 Ų135.678%0.77675%0.752SS**  trans63.7153.9171.668.90000116.7
2355T23.4Very low25.2Very low115 Ų115136.7 Ų136.771%0.70675%0.754SS**  cis-153.315010.8-22.50000113
2356T22.9Very low25.3Very low121 Ų121134.5 Ų134.574%0.74274%0.735SS**  trans53.8122.1152.541.10000122.7
2357L21.8Very low25.4Very low168 Ų168133.2 Ų133.288%0.8872%0.716SS**  trans-102.1153.9150.7-94135.5000109.7
2358H23.6Very low24.9Very low151 Ų151129.8 Ų129.870%0.69970%0.699SS**  trans-153.8133.3158.7-101.6-77.5000113
2359H24.3Very low24.3Very low136 Ų136129.9 Ų129.963%0.6371%0.708SS**  trans57.1124.1150.1-63.5-43.8000123.8
2360H23Very low24.4Very low149 Ų149130.4 Ų130.469%0.6970%0.701SS**  57.4145121.7-57.4-47.7000121.4
2361N22.4Very low24.4Very low112 Ų112127.4 Ų127.460%0.59969%0.69SS**  cis-156.1166.3-5.9-123.513.2000113.1
2362E23.5Very low24.4Very low161 Ų161126.9 Ų126.975%0.75269%0.688SS**  trans70.4160.6150-73.9157.3-127.700120.5
2363T23.7Very low24.4Very low131 Ų131128.1 Ų128.180%0.80469%0.689SS**  trans-163.8178.1-154.953.90000108.5
2364P45.1Very low24.7Very low106 Ų106125.9 Ų125.969%0.68869%0.686SS**  -125-179.9-54.537.9-24.1000110.2
2365D24.9Very low24.8Very low153 Ų153127.2 Ų127.282%0.81869%0.689SS**  trans-139.3150.1154.2-145.2-27.1000112.3
2366M23.7Very low24.9Very low91 Ų91127.3 Ų127.345%0.44869%0.692SS.*  trans-93.2143.9-151.5-56.6166.370.700113.8K988K988-M2366 HydrophobicContact CB-CE 3.72Å; K988-M2366 HydrophobicContact CD-CB 3.51Å; K988-M2366 HydrophobicContact CD-CE 4Å; K988-M2366 HydrophobicContact CD-SD 4.28Å; K988-M2366 HydrophobicContact CG-CE 4.48Å; K988-M2366 PolarHBondContact NZ-O 2.83Å
2367Y23.1Very low24.9Very low65 Ų65126.7 Ų126.726%0.25569%0.692SS.*  trans18.2161.2134.6-49-67000120.8K988 Q989 F990 N991K988-Y2367 WeakPolarHBondContact CD-O 3.48Å; K988-Y2367 WeakPolarHBondContact CE-O 3.37Å; K988-Y2367 WeakPolarHBondContact CG-O 3.36Å; K988-Y2367 PolarHBondContact NZ-O 3.17Å; Q989-Y2367 VanDerWaalsContact O-CD1 3.31Å; Q989-Y2367 WeakPolarHBondContact O-CD1 3.49Å; F990-Y2367 HydrophobicContact CB-CE2 4.04Å; F990-Y2367 AromaticContact CD1-CE2 3.59Å; F990-Y2367 HydrophobicContact CD1-CE2 3.59Å; F990-Y2367 AromaticContact CD1-CZ 3.83Å; F990-Y2367 VanDerWaalsContact CD1-OH 3.29Å; F990-Y2367 WeakPolarHBondContact CD1-OH 3.27Å; F990-Y2367 AromaticContact CD2-CD2 3.98Å; F990-Y2367 HydrophobicContact CD2-CD2 3.98Å; F990-Y2367 AromaticContact CD2-CE2 3.52Å; F990-Y2367 HydrophobicContact CD2-CE2 3.52Å; F990-Y2367 AromaticContact CE1-CE2 3.84Å; F990-Y2367 HydrophobicContact CE1-CE2 3.84Å; F990-Y2367 HydrophobicContact CE2-CD2 4.2Å; F990-Y2367 AromaticContact CE2-CE2 3.77Å; F990-Y2367 HydrophobicContact CE2-CE2 3.77Å; F990-Y2367 HydrophobicContact CG-CD2 4.27Å; F990-Y2367 AromaticContact CG-CE2 3.41Å; F990-Y2367 HydrophobicContact CG-CE2 3.41Å; F990-Y2367 VanDerWaalsContact CG-CE2 3.41Å; F990-Y2367 AromaticContact CG-CZ 3.78Å; F990-Y2367 AromaticContact CZ-CE2 3.92Å; F990-Y2367 HydrophobicContact CZ-CE2 3.92Å; N991-Y2367 HydrophobicContact CB-CE1 3.94Å; N991-Y2367 PolarHBondContact N-OH 2.71Å; N991-Y2367 PolarHBondContact O-OH 3.24Å
2368K23Very low25.1Very low83 Ų83124.8 Ų124.836%0.36169%0.69SS.*  cis-151.5161.417.7-162.5-174.8-171.1169.60108.4S987 Q989S987-K2368 VanDerWaalsContact O-CD 3.24Å; S987-K2368 WeakPolarHBondContact O-CD 3.48Å; S987-K2368 PolarHBondContact O-NZ 3.1Å; Q989-K2368 HydrophobicContact CB-CD 4.34Å
2369A25.4Very low25Very low90 Ų90129 Ų12974%0.74470%0.7SS**  trans-137.1154.1164.400000108.9
2370N25.8Very low25.1Very low124 Ų124130.8 Ų130.866%0.66371%0.713SS**  trans-150.4151.4-176.6-147.29.2000111.8
2371V25.9Very low25.2Very low113 Ų113134.2 Ų134.269%0.68573%0.726SS**  trans64.5104.3167.3-169.50000118.9
2372F22.4Very low25.3Very low195 Ų195140.9 Ų140.986%0.85574%0.743SS**  trans21.6127.7140.7-67.1-91.1000121.9
2373N25.4Very low25.4Very low162 Ų162137 Ų13787%0.86675%0.746SS**  -151.8169.7126.6-120.4-42.3000113
2374S25.2Very low25.4Very low106 Ų106139.3 Ų139.374%0.74175%0.753SS**  trans-32147.6-169.746.70000121.8
2375V22.8Very low24.4Very low140 Ų140146 Ų14685%0.84876%0.764SS**PPolyproline II helixtrans-49.4125.9176.5178.30000114.6
2376P25Very low24.4Very low117 Ų117143.9 Ų143.976%0.7676%0.761SS**PPolyproline II helixtrans-89140.8164.834.1-31.8000112.3
2377S23Very low24.5Very low107 Ų107151.5 Ų151.575%0.74879%0.785SS**PPolyproline II helixtrans-77.5149.9-175.951.60000114.3
2378P25.6Very low24.5Very low129 Ų129156.7 Ų156.784%0.83881%0.811SS**PPolyproline II helixtrans-75.1130.5-178.829.7-34.2000112.2
2379R22.2Very low24.8Very low240 Ų240161.7 Ų161.791%0.90684%0.836SS**PPolyproline II helixtrans-76.2122.6168.5-67.2175.5175168.3-1.7110
2380L26.3Very low24.8Very low173 Ų173163.1 Ų163.191%0.90684%0.84SS**  trans-175.673.3139.9-102.5166.8000112.3
2381F24.5Very low24.8Very low221 Ų221160.4 Ų160.497%0.96984%0.842SS**  trans-123.8121.8162.4-103.3-78.6000109.5
2382R25.5Very low24.9Very low252 Ų252160.8 Ų160.895%0.95185%0.85SS**  trans-161.2104.1172.4-160-178.8-161.5-166.96109.6
2383G25Very low25Very low78 Ų78159.3 Ų159.380%0.80485%0.851SS**  trans175.2-14.7-179.900000120.5
2384L24Very low25Very low181 Ų181161.1 Ų161.195%0.94885%0.851SS**  trans-112.2121.7176.8-76.1170.9000111.3
2385R25Very low24.9Very low246 Ų246163.6 Ų163.693%0.92885%0.854SS**  trans-85.1143175.6-91.6-176168.6-178.5-3.5110.7
2386S24Very low25.1Very low109 Ų109168.1 Ų168.176%0.76287%0.873SS**  trans-52.9135.6175.943.80000114.2
2387R25.5Very low25.1Very low250 Ų250170.7 Ų170.794%0.94388%0.879SS**  trans-123.4129.2132.1-98.8-174.8168.9178.4-3.8108
2388Q23.7Very low25.2Very low174 Ų174174 Ų17481%0.81389%0.886SS**  trans-72.5147.7172.8-63.7154.4-61.400108.7
2389H28.1Very low25.2Very low188 Ų188176.5 Ų176.587%0.8789%0.889SS**  -159.3129.6115.4-100.9-68.9000109.8
2390S25.4Very low25.4Very low120 Ų120172.8 Ų172.884%0.83989%0.888SS**  trans-79.5130.3173.348.30000110.3
2391G26.4Very low25.3Very low68 Ų68172.8 Ų172.870%0.70189%0.887SS**  trans-159.2100.6177.100000110.1N2393G2391-N2393 PolarHBondContact O-N 2.96Å
2392S27.8Very low25.4Very low121 Ų121169.5 Ų169.585%0.84688%0.881SS**  trans-62.199.1-173.450.40000113.5K2394S2392-K2394 PolarHBondContact O-N 3.02Å; S2392-K2394 VanDerWaalsContact O-N 3.07Å
2393N25.2Very low25.4Very low164 Ų164163.6 Ų163.688%0.87788%0.876SS**  trans-72.595.8161.4-81.1-1.1000109.1G2391G2391-N2393 PolarHBondContact O-N 2.96Å
2394K25.2Very low25.4Very low199 Ų199170.2 Ų170.287%0.86588%0.882SS**  trans-69.6135.1152.4-93.7-170.5172.8-174.20108.2S2392 N2396S2392-K2394 PolarHBondContact O-N 3.02Å; S2392-K2394 VanDerWaalsContact O-N 3.07Å; K2394-N2396 PolarHBondContact O-N 3.25Å
2395I23.5Very low25.5Very low159 Ų159169.3 Ų169.382%0.81588%0.876SS**  trans-36124.8174-60.8155.7000112.5
2396N26.4Very low25.6Very low234 Ų234162.4 Ų162.4100%1.25187%0.871SS**  trans-1160133.4-91-7.3000105.9K2394K2394-N2396 PolarHBondContact O-N 3.25Å

Retrieved 2,396 of 2,396 residues in 3031.1 ms (Link to these results)

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