A0A3Q0KKS5_SCHMA Loading...

SH3_10 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KKS5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,475 aa.

>A0A3Q0KKS5_SCHMA|A0A3Q0KKS5
MPELQTIDDALVGKIQHDVLSSSIQKERIQNERRLCDLYSNPFCTNNEDNTIQEGMMERTKMLKEHIEGNIEILDYLQGISGLERDFSKLADRVINTAITLSARDNVAHPERIYDQETGANVDRCWKYISQLSEAIQFHITKSHEYHKFHHEIWAARMEIQQVLSSYSLIQEKLGSLSLLTDEALETVRTMIETQLSIYTRLSLKTKEFLAKSSIMRSIFLRNSLTQGKHSAYLLASLRLPSGQSVHRGESVKVWGNNQFLSKLHSEWNAEVSNGEQINNAPSICFWLTSPEHSPISDKSNQLESCENEENFETLGEVSSTKNVCKRFHKDLYSSWKIAINLFAKILMPTCTSYIKKLENIDQPIIVEDSQEFNDFLNSLQTLLEYGNEPELETLKGLSHRSYKTKDTVIHVKKENIHQLTETVKTWKIFLQKFNEAVANTSDNEVNDQSLTTLKNEDSYLKFSPSVYKVTNKHKTMYPNEINRKYNEKQLITCFTENIPKTFTLNKNTTVYDHRTHEASHMKNSLKCHSDQMLENPSHFDKHTKELMTQIDSPFYSAVVYCTNCSEFHEINLLSPFICKPEVSTSNMNSSSEVSDISENRLKAAHSMPSLSIETKDSNVVDDRVSTYRNKKCSAMKKISRSKGRKKCRPYSLNASLTETTASSGFDSPSESSVSTKEKTSSSQMHGEVYSESHRSRPSKRSFLWWYKRSKRTLKDESHAPESPNTEPGPPGRRSPLNITPSESIREFSYRSSTQFSDLNEDQGNFDESTNSAVRSYSWIQQGTPWGYAPPTDSKWWPAIQMTPVNDREKNKFMNVYSDRIKMKSRKHVKRYSFENGVNHNALSEGQMYNTIDSGIQTDMEMYISRQLDTILLDAESNNQRNLINPETMCQYCYKNINKIYSKDSSVQCNFINDTILEQKSYHPSHTLSSKKEEKTDRVTHRRSKSSGVRVWDICCQVGIVQQNRGTEPIRSEDIQSIISATSGQVNDCNDGSRMYAKYDRRSKSFETHSRNLSQMTNASTTRISPPLKFSVSCQIGPSLTVNNTVTRHMTDLSYESREHTKKYSSQLCDASSFATYLPIMMGKKLQVNMPPAVNSKDTSTQIQTVEKPMILANVSSIKEVVKSWLIESESSFISSEKMKKTEHNRNMLNNLTKTTDCYGLILVNETSTQIGSANGIEKLPNFYHNQKDNSIQTNLPYIYVTETNIVPNWTSDSNEMNKHFIPESKPTDKLQTQSIQIKTFNYSESPGESSSKMLINQPYQNKLNNQHTPTTNNSQNILPKNIQLEQTSTMLQQGRKGSMNDKITVKRLKKVNKNQNELYIRHGPINRKIISTCGDLIMNIELHNANCKKHSIRDFNYLPISERLYNYKWLSLLPSSSLSRSSSSSYDEYDDLCKQCRLKYYKAFHMNMEMIPNHGYNNNNNKSNRLTYHRSHHHHHHNTIKFHRSIIKRSLSADDSKVNTYRKRIDSSRYHENI
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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
1M35.6Very low39Very low179 Ų179111.1 Ų111.188%0.88260%0.596SS**  0-50.80-83.2-69.6147.800111.7E3 L4M1-E3 PolarHBondContact O-N 3.05Å; M1-L4 PolarHBondContact O-N 2.99Å
2P39.2Very low39.7Very low94 Ų94107.8 Ų107.861%0.6158%0.583SS**Hα-helixtrans-59.1-42.6176.4-21.732.4000113.7L4 Q5 T6P2-L4 VanDerWaalsContact C-N 3.33Å; P2-L4 PolarHBondContact O-N 2.9Å; P2-Q5 PolarHBondContact O-N 3.14Å; P2-Q5 VanDerWaalsContact O-N 3.12Å; P2-T6 PolarHBondContact O-N 2.94Å; P2-T6 PolarHBondContact O-OG1 2.85Å
3E33.7Very low40.2Very low157 Ų157102.2 Ų102.273%0.73457%0.566SS**Hα-helixtrans-63.1-32.7-177.9-67.7172.2159.500114.2M1 Q5 I7M1-E3 PolarHBondContact O-N 3.05Å; E3-Q5 VanDerWaalsContact C-N 3.33Å; E3-I7 WeakPolarHBondContact O-CD1 3.43Å; E3-I7 VanDerWaalsContact O-CG1 3.26Å; E3-I7 WeakPolarHBondContact O-CG1 3.47Å; E3-I7 PolarHBondContact O-N 2.81Å
4L34.7Very low40.7Very low105 Ų105103.7 Ų103.755%0.5556%0.564SS.*Hα-helixtrans-67.8-36.2176.1-91.1154.2000111.4M1 P2 I7 D8M1-L4 PolarHBondContact O-N 2.99Å; P2-L4 VanDerWaalsContact C-N 3.33Å; P2-L4 PolarHBondContact O-N 2.9Å; L4-I7 PolarHBondContact O-N 2.88Å; L4-D8 PolarHBondContact O-N 2.89Å
5Q33.8Very low41.3Very low136 Ų136103.4 Ų103.464%0.63656%0.56SS**Hα-helixtrans-73.1-36.7-178.7-155151.78.800111.4P2 E3 I7 D8 D9P2-Q5 PolarHBondContact O-N 3.14Å; P2-Q5 VanDerWaalsContact O-N 3.12Å; E3-Q5 VanDerWaalsContact C-N 3.33Å; Q5-I7 VanDerWaalsContact C-N 3.34Å; Q5-I7 PolarHBondContact O-N 3.01Å; Q5-D8 PolarHBondContact O-N 3.1Å; Q5-D9 PolarHBondContact O-N 3.03Å
6T41.8Very low41.9Very low94 Ų94104.9 Ų104.958%0.57756%0.562SS**Hα-helixtrans-66.6-35173.7-31.70000112.4P2 A10P2-T6 PolarHBondContact O-N 2.94Å; P2-T6 PolarHBondContact O-OG1 2.85Å; T6-A10 WeakPolarHBondContact O-CB 3.37Å; T6-A10 PolarHBondContact O-N 3.04Å
7I37.8Very low42.5Very low106 Ų106101.4 Ų101.454%0.54454%0.542SS..Hα-helixtrans-68.8-43.2175.4-68.3166000110.6E3 L4 Q5 A10 L11E3-I7 WeakPolarHBondContact O-CD1 3.43Å; E3-I7 VanDerWaalsContact O-CG1 3.26Å; E3-I7 WeakPolarHBondContact O-CG1 3.47Å; E3-I7 PolarHBondContact O-N 2.81Å; L4-I7 PolarHBondContact O-N 2.88Å; Q5-I7 VanDerWaalsContact C-N 3.34Å; Q5-I7 PolarHBondContact O-N 3.01Å; I7-A10 PolarHBondContact O-N 3.26Å; I7-L11 VanDerWaalsContact O-CB 3.32Å; I7-L11 WeakPolarHBondContact O-CB 3.33Å; I7-L11 PolarHBondContact O-N 3.45Å
8D39.7Very low43.3Very low93 Ų93100.8 Ų100.850%0.49754%0.539SS..Hα-helixtrans-61.7-44176.5-79.4-17.9000111.1L4 Q5 A10 L11 V12L4-D8 PolarHBondContact O-N 2.89Å; Q5-D8 PolarHBondContact O-N 3.1Å; D8-A10 PolarHBondContact O-N 3.02Å; D8-L11 PolarHBondContact O-N 3.14Å; D8-V12 WeakPolarHBondContact O-CB 3.08Å; D8-V12 VanDerWaalsContact O-CG2 3.22Å; D8-V12 WeakPolarHBondContact O-CG2 3.28Å; D8-V12 PolarHBondContact O-N 3.49Å
9D45.4Very low44.2Very low105 Ų105100.2 Ų100.256%0.56154%0.539SS*.Hα-helixtrans-64.4-40.5177.8-71.2-21.5000112.2Q5 V12 G13Q5-D9 PolarHBondContact O-N 3.03Å; D9-V12 PolarHBondContact O-N 2.83Å; D9-G13 PolarHBondContact O-N 3.4Å
10A45.3Very low45.1Very low56 Ų56100.1 Ų100.146%0.46354%0.537SS..Hα-helixtrans-66.9-37.9175.200000112.3T6 I7 D8 G13 K14T6-A10 WeakPolarHBondContact O-CB 3.37Å; T6-A10 PolarHBondContact O-N 3.04Å; I7-A10 PolarHBondContact O-N 3.26Å; D8-A10 PolarHBondContact O-N 3.02Å; A10-G13 PolarHBondContact O-N 3.43Å; A10-K14 WeakPolarHBondContact O-CB 3.29Å; A10-K14 PolarHBondContact O-N 3.15Å
11L42.2Very low46.2Very low97 Ų9797.4 Ų97.451%0.50853%0.526SS..Hα-helixtrans-68-43.1176.5-160.884.8000111I7 D8 G13 K14 I15I7-L11 VanDerWaalsContact O-CB 3.32Å; I7-L11 WeakPolarHBondContact O-CB 3.33Å; I7-L11 PolarHBondContact O-N 3.45Å; D8-L11 PolarHBondContact O-N 3.14Å; L11-G13 VanDerWaalsContact C-N 3.34Å; L11-K14 PolarHBondContact O-N 2.99Å; L11-I15 HydrophobicContact CD2-CD1 4.25Å; L11-I15 HydrophobicContact CG-CD1 4.15Å; L11-I15 WeakPolarHBondContact O-CB 3.39Å; L11-I15 VanDerWaalsContact O-CG1 3.23Å; L11-I15 WeakPolarHBondContact O-CG1 3.4Å; L11-I15 PolarHBondContact O-N 3.43Å
12V47.3Very low47.9Very low71 Ų7191.1 Ų91.143%0.4350%0.5SS..Hα-helixtrans-61.6-43.9174.7171.10000110.4D8 D9 K14 I15 Q16D8-V12 WeakPolarHBondContact O-CB 3.08Å; D8-V12 VanDerWaalsContact O-CG2 3.22Å; D8-V12 WeakPolarHBondContact O-CG2 3.28Å; D8-V12 PolarHBondContact O-N 3.49Å; D9-V12 PolarHBondContact O-N 2.83Å; V12-K14 PolarHBondContact O-N 3Å; V12-I15 PolarHBondContact O-N 3.39Å; V12-Q16 PolarHBondContact O-N 3.18Å
13G46.4Very low49.7Very low36 Ų3689.7 Ų89.737%0.37149%0.493SS..Hα-helixtrans-59.7-43.7174.800000112.6D9 A10 L11 Q16 H17D9-G13 PolarHBondContact O-N 3.4Å; A10-G13 PolarHBondContact O-N 3.43Å; L11-G13 VanDerWaalsContact C-N 3.34Å; G13-Q16 PolarHBondContact O-N 3.32Å; G13-H17 WeakPolarHBondContact O-CB 3.36Å; G13-H17 PolarHBondContact O-N 3.28Å
14K46.7Very low51.7Low123 Ų12383.2 Ų83.254%0.53546%0.463SS..Hα-helixtrans-66.4-39.6176.6-166.6168.9-175.2166.90112.6A10 L11 V12 H17 D18A10-K14 WeakPolarHBondContact O-CB 3.29Å; A10-K14 PolarHBondContact O-N 3.15Å; L11-K14 PolarHBondContact O-N 2.99Å; V12-K14 PolarHBondContact O-N 3Å; K14-H17 PolarHBondContact O-N 2.85Å; K14-D18 PolarHBondContact O-N 3.32Å
15I49.8Very low53.8Low99 Ų9981.1 Ų81.151%0.50845%0.45SS..Hα-helixtrans-64.9-45176-68.8164.7000110.4L11 V12 V19L11-I15 HydrophobicContact CD2-CD1 4.25Å; L11-I15 HydrophobicContact CG-CD1 4.15Å; L11-I15 WeakPolarHBondContact O-CB 3.39Å; L11-I15 VanDerWaalsContact O-CG1 3.23Å; L11-I15 WeakPolarHBondContact O-CG1 3.4Å; L11-I15 PolarHBondContact O-N 3.43Å; V12-I15 PolarHBondContact O-N 3.39Å; I15-V19 WeakPolarHBondContact O-CB 3.32Å; I15-V19 WeakPolarHBondContact O-CG2 2.93Å; I15-V19 PolarHBondContact O-N 2.8Å; I15-V19 VanDerWaalsContact O-N 3.14Å
16Q51.7Low55.9Low127 Ų12781.3 Ų81.359%0.59345%0.449SS*.Hα-helixtrans-64.7-39.5176.2-76.1-177.9-20.800112.3V12 G13 V19 L20V12-Q16 PolarHBondContact O-N 3.18Å; G13-Q16 PolarHBondContact O-N 3.32Å; Q16-V19 WeakPolarHBondContact O-CB 3.28Å; Q16-V19 PolarHBondContact O-N 2.91Å; Q16-L20 PolarHBondContact O-N 3.25Å
17H52.2Low57.8Low46 Ų4681.3 Ų81.321%0.21344%0.442CS..Hα-helixtrans-62-48.9178.3176.2-79000112.4G13 K14 V19 L20 E84 S88G13-H17 WeakPolarHBondContact O-CB 3.36Å; G13-H17 PolarHBondContact O-N 3.28Å; K14-H17 PolarHBondContact O-N 2.85Å; H17-V19 PolarHBondContact O-N 3.41Å; H17-L20 PolarHBondContact O-N 3.29Å; H17-E84 IonicContact CD2-OE2 3.97Å; H17-E84 VanDerWaalsContact NE2-CB 3.31Å; H17-E84 WeakPolarHBondContact NE2-CB 3.45Å; H17-E84 PolarHBondContact NE2-O 2.98Å; H17-S88 PolarHBondContact CD2-OG 2.86Å; H17-S88 PolarHBondContact NE2-OG 3.13Å; H17-S88 VanDerWaalsContact NE2-OG 3.08Å
18D55.8Low60Low91 Ų9178.3 Ų78.349%0.48742%0.424SS..Hα-helixtrans-66.7-28.8177.1-71.2-13000111.1K14 S22K14-D18 PolarHBondContact O-N 3.32Å; D18-S22 WeakPolarHBondContact O-CA 3.28Å; D18-S22 WeakPolarHBondContact O-CB 3.11Å; D18-S22 PolarHBondContact O-N 3.14Å
19V60.1Low62Low89 Ų8976.7 Ų76.754%0.53942%0.415SS..Hα-helixtrans-67.6-43.9177.9169.10000112.3I15 Q16 H17 S23I15-V19 WeakPolarHBondContact O-CB 3.32Å; I15-V19 WeakPolarHBondContact O-CG2 2.93Å; I15-V19 PolarHBondContact O-N 2.8Å; I15-V19 VanDerWaalsContact O-N 3.14Å; Q16-V19 WeakPolarHBondContact O-CB 3.28Å; Q16-V19 PolarHBondContact O-N 2.91Å; H17-V19 PolarHBondContact O-N 3.41Å; V19-S23 WeakPolarHBondContact O-CB 3.5Å; V19-S23 PolarHBondContact O-N 3.45Å
20L62.3Low63.8Low97 Ų9776.4 Ų76.451%0.50841%0.41SS..Hα-helixtrans-68.6-52-176.7-159.489.6000111.7Q16 H17 S22 S23 I24Q16-L20 PolarHBondContact O-N 3.25Å; H17-L20 PolarHBondContact O-N 3.29Å; L20-S22 PolarHBondContact O-N 3.43Å; L20-S23 WeakPolarHBondContact O-CB 3.26Å; L20-S23 PolarHBondContact O-N 3.22Å; L20-S23 VanDerWaalsContact O-N 3.15Å; L20-I24 WeakPolarHBondContact O-CG1 3.33Å; L20-I24 PolarHBondContact O-N 3.06Å
21S68.2Low65.6Low44 Ų4473.9 Ų73.931%0.30839%0.389SS..Hα-helixtrans-63.8-40.8178.1-173.80000111.6S23 I24 Q25S21-S23 VanDerWaalsContact C-N 3.33Å; S21-S23 PolarHBondContact O-N 3.19Å; S21-I24 PolarHBondContact O-N 2.75Å; S21-Q25 WeakPolarHBondContact O-CB 3.23Å; S21-Q25 PolarHBondContact O-N 3.29Å
22S72.8Confident67.6Low48 Ų4872.5 Ų72.534%0.33638%0.38SS..Hα-helixtrans-64.3-36.5173-173.90000112.1D18 L20 Q25 K26D18-S22 WeakPolarHBondContact O-CA 3.28Å; D18-S22 WeakPolarHBondContact O-CB 3.11Å; D18-S22 PolarHBondContact O-N 3.14Å; L20-S22 PolarHBondContact O-N 3.43Å; S22-Q25 PolarHBondContact O-N 3.25Å; S22-K26 VanDerWaalsContact O-CB 3.28Å; S22-K26 WeakPolarHBondContact O-CB 3.44Å; S22-K26 WeakPolarHBondContact O-CD 3.49Å; S22-K26 WeakPolarHBondContact O-CG 3.4Å; S22-K26 PolarHBondContact O-N 2.85Å; S22-K26 VanDerWaalsContact OG-CE 3.28Å; S22-K26 WeakPolarHBondContact OG-CE 3.25Å; S22-K26 PolarHBondContact OG-NZ 2.77Å
23S75.3Confident69.3Low64 Ų6477.4 Ų77.445%0.44839%0.39SS..Hα-helixtrans-65.4-48178.4-170.40000111.3V19 L20 S21 Q25 K26 E27V19-S23 WeakPolarHBondContact O-CB 3.5Å; V19-S23 PolarHBondContact O-N 3.45Å; L20-S23 WeakPolarHBondContact O-CB 3.26Å; L20-S23 PolarHBondContact O-N 3.22Å; L20-S23 VanDerWaalsContact O-N 3.15Å; S21-S23 VanDerWaalsContact C-N 3.33Å; S21-S23 PolarHBondContact O-N 3.19Å; S23-Q25 VanDerWaalsContact C-N 3.33Å; S23-Q25 PolarHBondContact O-N 3.47Å; S23-K26 PolarHBondContact O-N 2.82Å; S23-E27 WeakPolarHBondContact O-CB 3.48Å; S23-E27 PolarHBondContact O-N 3.16Å
24I77Confident71Confident21 Ų2181.3 Ų81.311%0.10839%0.394CS..Hα-helixtrans-59.7-45.9176.5-65.7169.3000110L20 S21 K26 E27 R28 L74 L77 Q78L20-I24 WeakPolarHBondContact O-CG1 3.33Å; L20-I24 PolarHBondContact O-N 3.06Å; S21-I24 PolarHBondContact O-N 2.75Å; I24-K26 PolarHBondContact O-N 3.14Å; I24-E27 PolarHBondContact O-N 3.34Å; I24-R28 WeakPolarHBondContact O-CB 3.49Å; I24-R28 PolarHBondContact O-N 3.2Å; I24-L74 HydrophobicContact CG2-CB 4.22Å; I24-L74 HydrophobicContact CG2-CD2 3.95Å; I24-L77 HydrophobicContact CD1-CB 4.22Å; I24-Q78 HydrophobicContact CG2-CB 4.24Å
25Q78.3Confident72.7Confident61 Ų6176.5 Ų76.529%0.28537%0.374SS..Hα-helixtrans-65.1-40179.2-170.864.927.400112.6S21 S22 S23 R28 I29S21-Q25 WeakPolarHBondContact O-CB 3.23Å; S21-Q25 PolarHBondContact O-N 3.29Å; S22-Q25 PolarHBondContact O-N 3.25Å; S23-Q25 VanDerWaalsContact C-N 3.33Å; S23-Q25 PolarHBondContact O-N 3.47Å; Q25-R28 PolarHBondContact O-N 3.25Å; Q25-I29 HydrophobicContact CG-CD1 4.06Å; Q25-I29 VanDerWaalsContact O-CG1 3.27Å; Q25-I29 WeakPolarHBondContact O-CG1 3.2Å; Q25-I29 PolarHBondContact O-N 2.87Å
26K78.5Confident74.2Confident139 Ų13975.3 Ų75.360%0.60437%0.373SS*.Hα-helixtrans-63-44.5176.5-80.1168.3179.7164.40111.3S22 S23 I24 R28 I29 Q30S22-K26 VanDerWaalsContact O-CB 3.28Å; S22-K26 WeakPolarHBondContact O-CB 3.44Å; S22-K26 WeakPolarHBondContact O-CD 3.49Å; S22-K26 WeakPolarHBondContact O-CG 3.4Å; S22-K26 PolarHBondContact O-N 2.85Å; S22-K26 VanDerWaalsContact OG-CE 3.28Å; S22-K26 WeakPolarHBondContact OG-CE 3.25Å; S22-K26 PolarHBondContact OG-NZ 2.77Å; S23-K26 PolarHBondContact O-N 2.82Å; I24-K26 PolarHBondContact O-N 3.14Å; K26-R28 VanDerWaalsContact C-N 3.33Å; K26-I29 PolarHBondContact O-N 2.75Å; K26-Q30 WeakPolarHBondContact O-CB 3.31Å; K26-Q30 PolarHBondContact O-N 3.14Å
27E81Confident75.5Confident94 Ų9474.2 Ų74.244%0.43937%0.372SS..Hα-helixtrans-65-39.8177.4-166.7175.1177.600111.4S23 I24 Q30 N31 L74S23-E27 WeakPolarHBondContact O-CB 3.48Å; S23-E27 PolarHBondContact O-N 3.16Å; I24-E27 PolarHBondContact O-N 3.34Å; E27-Q30 WeakPolarHBondContact O-CB 3.26Å; E27-Q30 PolarHBondContact O-N 2.82Å; E27-N31 PolarHBondContact O-N 3.13Å; E27-L74 HydrophobicContact CB-CD1 4.16Å; E27-L74 HydrophobicContact CB-CD2 4.35Å; E27-L74 HydrophobicContact CG-CD1 4Å; E27-L74 HydrophobicContact CG-CD2 4.42Å
28R83.8Confident76.8Confident44 Ų4474.1 Ų74.117%0.16637%0.373CS..Hα-helixtrans-59.7-50.6174.8-173.9-174178-67.8-15.5111.4I24 Q25 K26 Q30 N31 E32 L74 D75I24-R28 WeakPolarHBondContact O-CB 3.49Å; I24-R28 PolarHBondContact O-N 3.2Å; Q25-R28 PolarHBondContact O-N 3.25Å; K26-R28 VanDerWaalsContact C-N 3.33Å; R28-Q30 VanDerWaalsContact C-N 3.27Å; R28-Q30 PolarHBondContact O-N 3.38Å; R28-N31 PolarHBondContact O-N 2.8Å; R28-E32 IonicContact CZ-OE1 4Å; R28-E32 IonicContact NH1-OE1 3.62Å; R28-E32 PolarHBondContact NH1-OE1 3.4Å; R28-E32 IonicContact NH1-OE2 4Å; R28-E32 PolarHBondContact NH1-OE2 3.43Å; R28-E32 VanDerWaalsContact NH1-OE2 3.1Å; R28-E32 IonicContact NH2-OE1 2.65Å; R28-E32 PolarHBondContact NH2-OE1 2.91Å; R28-E32 WeakPolarHBondContact O-CG 3.35Å; R28-E32 PolarHBondContact O-N 2.97Å; R28-L74 HydrophobicContact CB-CB 4.38Å; R28-L74 HydrophobicContact CB-CD1 4.04Å; R28-D75 WeakPolarHBondContact CD-OD1 3.32Å; R28-D75 IonicContact CZ-OD1 3.88Å; R28-D75 IonicContact NE-OD1 2.78Å; R28-D75 PolarHBondContact NE-OD1 3.48Å; R28-D75 IonicContact NH2-OD1 2.74Å
29I82.8Confident77.8Confident59 Ų5975.7 Ų75.730%0.30337%0.373SS..Hα-helixtrans-60.9-37.9176.8-67.8165.4000110.9Q25 K26 E32 R33Q25-I29 HydrophobicContact CG-CD1 4.06Å; Q25-I29 VanDerWaalsContact O-CG1 3.27Å; Q25-I29 WeakPolarHBondContact O-CG1 3.2Å; Q25-I29 PolarHBondContact O-N 2.87Å; K26-I29 PolarHBondContact O-N 2.75Å; I29-E32 PolarHBondContact O-N 3.48Å; I29-R33 WeakPolarHBondContact O-CB 3.47Å; I29-R33 VanDerWaalsContact O-CG 3.31Å; I29-R33 WeakPolarHBondContact O-CG 3.42Å; I29-R33 PolarHBondContact O-N 3.1Å
30Q82.7Confident78.5Confident99 Ų9975.6 Ų75.646%0.46338%0.376SS..Hα-helixtrans-65.4-41.9176.9-174174.217.900111.8K26 E27 R28 R33 R34K26-Q30 WeakPolarHBondContact O-CB 3.31Å; K26-Q30 PolarHBondContact O-N 3.14Å; E27-Q30 WeakPolarHBondContact O-CB 3.26Å; E27-Q30 PolarHBondContact O-N 2.82Å; R28-Q30 VanDerWaalsContact C-N 3.27Å; R28-Q30 PolarHBondContact O-N 3.38Å; Q30-R33 PolarHBondContact O-N 3.43Å; Q30-R34 WeakPolarHBondContact O-CG 3.3Å; Q30-R34 PolarHBondContact O-N 3.29Å
31N81.6Confident78.6Confident3 Ų376.8 Ų76.82%0.01638%0.383CS..Hα-helixtrans-68-40.1176.4-75.7-24.3000111.8E27 R28 R33 R34 L35 I67 I71E27-N31 PolarHBondContact O-N 3.13Å; R28-N31 PolarHBondContact O-N 2.8Å; N31-R33 PolarHBondContact O-N 2.86Å; N31-R34 PolarHBondContact O-N 3.32Å; N31-R34 PolarHBondContact OD1-NH1 3.42Å; N31-L35 WeakPolarHBondContact O-CB 3.4Å; N31-L35 PolarHBondContact O-N 3.07Å; N31-I67 HydrophobicContact CB-CG2 4.06Å; N31-I67 VanDerWaalsContact O-CG2 3.26Å; N31-I67 WeakPolarHBondContact O-CG2 3.47Å; N31-I71 HydrophobicContact CB-CD1 4.39Å; N31-I71 HydrophobicContact CB-CG1 3.89Å
32E84.3Confident78Confident67 Ų6778.8 Ų78.831%0.31340%0.395SS..Hα-helixtrans-61.2-42.7172.7-74.9-179.7152.800112.2R28 I29 L35 C36 I71R28-E32 IonicContact CZ-OE1 4Å; R28-E32 IonicContact NH1-OE1 3.62Å; R28-E32 PolarHBondContact NH1-OE1 3.4Å; R28-E32 IonicContact NH1-OE2 4Å; R28-E32 PolarHBondContact NH1-OE2 3.43Å; R28-E32 VanDerWaalsContact NH1-OE2 3.1Å; R28-E32 IonicContact NH2-OE1 2.65Å; R28-E32 PolarHBondContact NH2-OE1 2.91Å; R28-E32 WeakPolarHBondContact O-CG 3.35Å; R28-E32 PolarHBondContact O-N 2.97Å; I29-E32 PolarHBondContact O-N 3.48Å; E32-L35 WeakPolarHBondContact O-CB 3.48Å; E32-L35 PolarHBondContact O-N 3.39Å; E32-C36 PolarHBondContact O-N 3.18Å; E32-C36 PolarHBondContact O-SG 3Å; E32-C36 VanDerWaalsContact O-SG 3.36Å; E32-I71 HydrophobicContact CG-CD1 3.97Å
33R83.9Confident77.2Confident174 Ų17481.2 Ų81.266%0.65740%0.399SS*.Hα-helixtrans-61.3-46.3175.3-75175.9-174.8-179.42.8111.9I29 Q30 N31 L35 C36 D37I29-R33 WeakPolarHBondContact O-CB 3.47Å; I29-R33 VanDerWaalsContact O-CG 3.31Å; I29-R33 WeakPolarHBondContact O-CG 3.42Å; I29-R33 PolarHBondContact O-N 3.1Å; Q30-R33 PolarHBondContact O-N 3.43Å; N31-R33 PolarHBondContact O-N 2.86Å; R33-L35 PolarHBondContact O-N 2.66Å; R33-C36 WeakPolarHBondContact O-CB 3.47Å; R33-C36 PolarHBondContact O-N 2.93Å; R33-D37 VanDerWaalsContact O-CG 3.25Å; R33-D37 PolarHBondContact O-N 3.38Å
34R81.9Confident75.6Confident119 Ų11984.1 Ų84.145%0.44942%0.418SS..Hα-helixtrans-58.4-39.9174.9-71.9169.8176.4166.5-2.7111.4Q30 N31 D37 L38 I67Q30-R34 WeakPolarHBondContact O-CG 3.3Å; Q30-R34 PolarHBondContact O-N 3.29Å; N31-R34 PolarHBondContact O-N 3.32Å; N31-R34 PolarHBondContact OD1-NH1 3.42Å; R34-D37 PolarHBondContact O-N 3.23Å; R34-L38 WeakPolarHBondContact O-CG 3.46Å; R34-L38 PolarHBondContact O-N 3.16Å; R34-L38 VanDerWaalsContact O-N 3.09Å; R34-I67 HydrophobicContact CB-CD1 4.05Å
35L82.8Confident74Confident22 Ų2287.4 Ų87.412%0.11544%0.439CS..Hα-helixtrans-64.9-45.9176.6-163.670.9000111.2N31 E32 R33 D37 L38 Y39 K64 I67 E68 I71N31-L35 WeakPolarHBondContact O-CB 3.4Å; N31-L35 PolarHBondContact O-N 3.07Å; E32-L35 WeakPolarHBondContact O-CB 3.48Å; E32-L35 PolarHBondContact O-N 3.39Å; R33-L35 PolarHBondContact O-N 2.66Å; L35-D37 VanDerWaalsContact C-N 3.32Å; L35-D37 PolarHBondContact O-N 3.44Å; L35-L38 PolarHBondContact O-N 3.14Å; L35-Y39 HydrophobicContact CD1-CE2 4.12Å; L35-Y39 HydrophobicContact CD2-CE2 3.89Å; L35-Y39 HydrophobicContact CG-CD2 3.88Å; L35-Y39 HydrophobicContact CG-CE2 3.61Å; L35-Y39 WeakPolarHBondContact O-CD2 3.35Å; L35-Y39 PolarHBondContact O-N 3.07Å; L35-K64 HydrophobicContact CD1-CB 4.46Å; L35-K64 HydrophobicContact CD1-CG 3.61Å; L35-I67 HydrophobicContact CB-CG2 3.94Å; L35-I67 HydrophobicContact CD1-CB 4.17Å; L35-I67 HydrophobicContact CD1-CG2 3.95Å; L35-I67 HydrophobicContact CG-CG2 4.45Å; L35-E68 HydrophobicContact CD1-CG 3.87Å; L35-E68 HydrophobicContact CD2-CG 3.97Å; L35-I71 HydrophobicContact CD2-CD1 4.15Å
36C80.2Confident72.4Confident73 Ų7392.3 Ų92.349%0.49347%0.467SS..Hα-helixtrans-59.3-40.2174.4-70.50000112.5E32 R33 L38 Y39 S40E32-C36 PolarHBondContact O-N 3.18Å; E32-C36 PolarHBondContact O-SG 3Å; E32-C36 VanDerWaalsContact O-SG 3.36Å; R33-C36 WeakPolarHBondContact O-CB 3.47Å; R33-C36 PolarHBondContact O-N 2.93Å; C36-L38 VanDerWaalsContact C-N 3.33Å; C36-L38 PolarHBondContact O-N 3.28Å; C36-Y39 PolarHBondContact O-N 3.23Å; C36-S40 VanDerWaalsContact O-CB 3.3Å; C36-S40 WeakPolarHBondContact O-CB 3.42Å; C36-S40 PolarHBondContact O-N 3.09Å; C36-S40 PolarHBondContact O-OG 2.89Å
37D80.5Confident71Confident104 Ų10492.1 Ų92.156%0.55647%0.473SS*.Hα-helixtrans-63.6-39.9177.1-67.2-24.9000111.3R33 R34 L35 S40 N41R33-D37 VanDerWaalsContact O-CG 3.25Å; R33-D37 PolarHBondContact O-N 3.38Å; R34-D37 PolarHBondContact O-N 3.23Å; L35-D37 VanDerWaalsContact C-N 3.32Å; L35-D37 PolarHBondContact O-N 3.44Å; D37-S40 PolarHBondContact O-N 3.32Å; D37-N41 PolarHBondContact O-N 3.05Å
38L78.4Confident69.6Low45 Ų4596.5 Ų96.524%0.23649%0.493CS..Hα-helixtrans-67.8-37.5174.7-67.7170.5000112.5R34 L35 C36 T60 L63 I67R34-L38 WeakPolarHBondContact O-CG 3.46Å; R34-L38 PolarHBondContact O-N 3.16Å; R34-L38 VanDerWaalsContact O-N 3.09Å; L35-L38 PolarHBondContact O-N 3.14Å; C36-L38 VanDerWaalsContact C-N 3.33Å; C36-L38 PolarHBondContact O-N 3.28Å; L38-T60 HydrophobicContact CD2-CG2 4.14Å; L38-L63 HydrophobicContact CD1-CD2 4.02Å; L38-L63 HydrophobicContact CD1-CG 4.01Å; L38-L63 HydrophobicContact CD2-CD2 4.03Å; L38-I67 HydrophobicContact CD1-CD1 3.45Å; L38-I67 VanDerWaalsContact CD1-CD1 3.45Å
39Y77.9Confident68.3Low124 Ų12499.1 Ų99.149%0.48651%0.511SS..Hα-helixtrans-72.4-29.8175.1-82.4-68.9000113.5L35 C36 P42 K64 E68L35-Y39 HydrophobicContact CD1-CE2 4.12Å; L35-Y39 HydrophobicContact CD2-CE2 3.89Å; L35-Y39 HydrophobicContact CG-CD2 3.88Å; L35-Y39 HydrophobicContact CG-CE2 3.61Å; L35-Y39 WeakPolarHBondContact O-CD2 3.35Å; L35-Y39 PolarHBondContact O-N 3.07Å; C36-Y39 PolarHBondContact O-N 3.23Å; Y39-P42 WeakPolarHBondContact O-CD 3.4Å; Y39-K64 WeakPolarHBondContact OH-CE 3.36Å; Y39-K64 PolarHBondContact OH-NZ 3.4Å; Y39-E68 PolarHBondContact OH-OE1 3.07Å
40S74.3Confident67.3Low86 Ų86102.2 Ų102.260%0.60153%0.528SS*.Hα-helixtrans-83.2-22.5-177.1-57.20000113.2C36 D37 P42C36-S40 VanDerWaalsContact O-CB 3.3Å; C36-S40 WeakPolarHBondContact O-CB 3.42Å; C36-S40 PolarHBondContact O-N 3.09Å; C36-S40 PolarHBondContact O-OG 2.89Å; D37-S40 PolarHBondContact O-N 3.32Å; S40-P42 WeakPolarHBondContact O-CD 3.34Å
41N64.9Low66.3Low122 Ų122102.8 Ų102.865%0.65254%0.538SS*.  trans-110.760.1173.6-73.8-36.7000112.8D37 F43D37-N41 PolarHBondContact O-N 3.05Å; N41-F43 VanDerWaalsContact C-N 3.26Å; N41-F43 PolarHBondContact O-N 3.15Å
42P55.7Low65.3Low87 Ų87107.4 Ų107.457%0.56556%0.562SS**  trans-74.189.1166.631.7-27.4000107.1Y39 S40 C44Y39-P42 WeakPolarHBondContact O-CD 3.4Å; S40-P42 WeakPolarHBondContact O-CD 3.34Å; P42-C44 PolarHBondContact O-N 3.21Å
43F56.1Low64.3Low99 Ų99108.1 Ų108.143%0.43457%0.566SS.*  trans-6.291.3176.8-62.6-84.4000115.6N41 T45 M56N41-F43 VanDerWaalsContact C-N 3.26Å; N41-F43 PolarHBondContact O-N 3.15Å; F43-T45 PolarHBondContact O-N 2.82Å; F43-M56 HydrophobicContact CD1-CE 4.3Å; F43-M56 HydrophobicContact CE1-CE 3.43Å; F43-M56 VanDerWaalsContact CE1-CE 3.43Å; F43-M56 HydrophobicContact CE2-CE 4.49Å; F43-M56 HydrophobicContact CZ-CE 3.56Å
44C40.3Very low63.6Low124 Ų124106.3 Ų106.384%0.83857%0.565SS**  trans-87.474.9166.7-74.70000109.1P42P42-C44 PolarHBondContact O-N 3.21Å
45T44.5Very low63Low90 Ų90102.5 Ų102.555%0.55256%0.562SS**  trans-133.210717052.20000109.8F43 N47F43-T45 PolarHBondContact O-N 2.82Å; T45-N47 PolarHBondContact O-N 3.42Å
46N45Very low62.5Low164 Ų164105.2 Ų105.288%0.87758%0.575SS**  trans-69.330.1-177.2-74.2-24.4000115.1
47N49.1Very low62.3Low135 Ų135108.3 Ų108.372%0.72258%0.584SS**  trans-115.7100.1-169.7-73.70.8000112.8T45 D49T45-N47 PolarHBondContact O-N 3.42Å; N47-D49 VanDerWaalsContact C-N 3.26Å; N47-D49 PolarHBondContact O-N 2.81Å
48E51.8Low62Low186 Ų186105.2 Ų105.287%0.86957%0.566SS**SBendtrans29-7.5148.2-60.5-171.9163.800124N50E48-N50 PolarHBondContact O-N 2.97Å
49D56.3Low61.7Low99 Ų99111.9 Ų111.953%0.52959%0.588SS.*  trans-102.473.4176.5-80.1-27.4000112.2N47 T51 I52 Q53N47-D49 VanDerWaalsContact C-N 3.26Å; N47-D49 PolarHBondContact O-N 2.81Å; D49-T51 PolarHBondContact O-N 3Å; D49-T51 VanDerWaalsContact O-N 3.1Å; D49-I52 HydrophobicContact CB-CB 4.27Å; D49-I52 HydrophobicContact CB-CD1 4.12Å; D49-I52 HydrophobicContact CB-CG1 4.26Å; D49-I52 PolarHBondContact O-N 3.33Å; D49-Q53 PolarHBondContact O-N 3.2Å; D49-Q53 VanDerWaalsContact O-N 3.09Å
50N60.5Low61.8Low124 Ų124107.7 Ų107.766%0.66358%0.576SS**Hα-helixtrans-52.1-33.8-179.7-73.2-26.5000113.5E48 E54E48-N50 PolarHBondContact O-N 2.97Å; N50-E54 WeakPolarHBondContact O-CB 3.18Å; N50-E54 PolarHBondContact O-N 3.48Å
51T62.3Low62Low111 Ų111107.2 Ų107.268%0.68156%0.563SS**Hα-helixtrans-74.3-38.2-178.244.60000113.4D49 G55D49-T51 PolarHBondContact O-N 3Å; D49-T51 VanDerWaalsContact O-N 3.1Å; T51-G55 PolarHBondContact O-N 2.99Å
52I60.9Low62.4Low101 Ų101105.9 Ų105.952%0.51855%0.554SS.*Hα-helixtrans-70.1-40.6175-60.3178.4000109.2D49 E54 G55 M56D49-I52 HydrophobicContact CB-CB 4.27Å; D49-I52 HydrophobicContact CB-CD1 4.12Å; D49-I52 HydrophobicContact CB-CG1 4.26Å; D49-I52 PolarHBondContact O-N 3.33Å; I52-E54 PolarHBondContact O-N 3.41Å; I52-G55 PolarHBondContact O-N 2.89Å; I52-M56 HydrophobicContact CG2-CG 4.42Å; I52-M56 HydrophobicContact CG2-SD 4.1Å; I52-M56 WeakPolarHBondContact O-CB 3.43Å; I52-M56 WeakPolarHBondContact O-CG 3.47Å; I52-M56 PolarHBondContact O-N 3.38Å
53Q63.1Low63.5Low82 Ų82105.7 Ų105.738%0.38355%0.548SS..Hα-helixtrans-63.6-41.6179.2-162.2177.21100111.9D49 M56 M57D49-Q53 PolarHBondContact O-N 3.2Å; D49-Q53 VanDerWaalsContact O-N 3.09Å; Q53-M56 PolarHBondContact O-N 3.24Å; Q53-M57 VanDerWaalsContact O-CB 3.26Å; Q53-M57 WeakPolarHBondContact O-CB 3.35Å; Q53-M57 PolarHBondContact O-N 3.25Å
54E69.3Low64.6Low136 Ų136103.8 Ų103.864%0.63654%0.539SS*.Hα-helixtrans-64.5-46.8176.5-170.4170.8-158.600111.8N50 I52 M56 M57 E58N50-E54 WeakPolarHBondContact O-CB 3.18Å; N50-E54 PolarHBondContact O-N 3.48Å; I52-E54 PolarHBondContact O-N 3.41Å; E54-M56 VanDerWaalsContact C-N 3.32Å; E54-M56 PolarHBondContact O-N 3.09Å; E54-M57 PolarHBondContact O-N 2.97Å; E54-E58 PolarHBondContact O-N 2.62Å
55G69.2Low66.4Low39 Ų39100.6 Ų100.640%0.40251%0.512SS..Hα-helixtrans-63.1-35.2176.800000113.6T51 I52 R59T51-G55 PolarHBondContact O-N 2.99Å; I52-G55 PolarHBondContact O-N 2.89Å; G55-R59 WeakPolarHBondContact O-CG 3.34Å; G55-R59 PolarHBondContact O-N 3.2Å
56M72.2Confident67.9Low78 Ų78101.4 Ų101.438%0.38451%0.509SS..Hα-helixtrans-72.4-37.9173.3-74.3-174.16500112.4F43 I52 Q53 E54 R59 T60F43-M56 HydrophobicContact CD1-CE 4.3Å; F43-M56 HydrophobicContact CE1-CE 3.43Å; F43-M56 VanDerWaalsContact CE1-CE 3.43Å; F43-M56 HydrophobicContact CE2-CE 4.49Å; F43-M56 HydrophobicContact CZ-CE 3.56Å; I52-M56 HydrophobicContact CG2-CG 4.42Å; I52-M56 HydrophobicContact CG2-SD 4.1Å; I52-M56 WeakPolarHBondContact O-CB 3.43Å; I52-M56 WeakPolarHBondContact O-CG 3.47Å; I52-M56 PolarHBondContact O-N 3.38Å; Q53-M56 PolarHBondContact O-N 3.24Å; E54-M56 VanDerWaalsContact C-N 3.32Å; E54-M56 PolarHBondContact O-N 3.09Å; M56-R59 PolarHBondContact O-N 3.3Å; M56-T60 WeakPolarHBondContact O-CB 3.33Å; M56-T60 PolarHBondContact O-N 2.95Å; M56-T60 PolarHBondContact O-OG1 3.24Å
57M75.2Confident69.5Low139 Ų13993.9 Ų93.969%0.68547%0.469SS*.Hα-helixtrans-62.9-43.5176.9-175.5167.6174.100111.1Q53 E54 T60 K61Q53-M57 VanDerWaalsContact O-CB 3.26Å; Q53-M57 WeakPolarHBondContact O-CB 3.35Å; Q53-M57 PolarHBondContact O-N 3.25Å; E54-M57 PolarHBondContact O-N 2.97Å; M57-T60 PolarHBondContact O-N 3.18Å; M57-K61 WeakPolarHBondContact O-CB 2.98Å; M57-K61 PolarHBondContact O-N 3.15Å
58E74.3Confident71.2Confident38 Ų3890.4 Ų90.418%0.17845%0.449CS..Hα-helixtrans-66.2-42.8176.8-161.462.1-12100111.7E54 T60 K61 M62 E1342 H1344E54-E58 PolarHBondContact O-N 2.62Å; E58-T60 VanDerWaalsContact C-N 3.28Å; E58-T60 PolarHBondContact O-N 3.29Å; E58-K61 PolarHBondContact O-N 2.87Å; E58-K61 IonicContact OE1-NZ 2.86Å; E58-K61 PolarHBondContact OE1-NZ 3.35Å; E58-K61 IonicContact OE2-NZ 3.78Å; E58-M62 HydrophobicContact CB-CE 4.49Å; E58-M62 HydrophobicContact CG-CE 3.74Å; E58-M62 WeakPolarHBondContact O-CG 3.4Å; E58-M62 PolarHBondContact O-N 3.08Å; E58-E1342 VanDerWaalsContact CD-CD 3.48Å; E58-E1342 WeakPolarHBondContact CG-OE1 3.43Å; E58-H1344 IonicContact OE2-CE1 3.07Å; E58-H1344 PolarHBondContact OE2-CE1 2.92Å; E58-H1344 VanDerWaalsContact OE2-CE1 3.28Å; E58-H1344 IonicContact OE2-NE2 2.71Å
59R73.6Confident72.5Confident185 Ų18582.2 Ų82.270%0.69841%0.414SS*.Hα-helixtrans-58.7-39.9173.3-75.7-178.9-172.51705112.7G55 M56 L63G55-R59 WeakPolarHBondContact O-CG 3.34Å; G55-R59 PolarHBondContact O-N 3.2Å; M56-R59 PolarHBondContact O-N 3.3Å; R59-L63 WeakPolarHBondContact O-CB 3.45Å; R59-L63 PolarHBondContact O-N 3.11Å
60T78.1Confident73.7Confident36 Ų3679.7 Ų79.722%0.22140%0.4CS..Hα-helixtrans-67.1-41.2178.8-55.10000110.8L38 M56 M57 E58 L63 K64L38-T60 HydrophobicContact CD2-CG2 4.14Å; M56-T60 WeakPolarHBondContact O-CB 3.33Å; M56-T60 PolarHBondContact O-N 2.95Å; M56-T60 PolarHBondContact O-OG1 3.24Å; M57-T60 PolarHBondContact O-N 3.18Å; E58-T60 VanDerWaalsContact C-N 3.28Å; E58-T60 PolarHBondContact O-N 3.29Å; T60-L63 PolarHBondContact O-N 3.46Å; T60-K64 VanDerWaalsContact O-CB 3.3Å; T60-K64 WeakPolarHBondContact O-CB 3.34Å; T60-K64 PolarHBondContact O-N 2.99Å
61K79.3Confident74.6Confident77 Ų7774.7 Ų74.734%0.33537%0.374SS..Hα-helixtrans-64.6-46.7175.2176.8167.8152.1-104.80112.1M57 E58 L63 K64 E65M57-K61 WeakPolarHBondContact O-CB 2.98Å; M57-K61 PolarHBondContact O-N 3.15Å; E58-K61 PolarHBondContact O-N 2.87Å; E58-K61 IonicContact OE1-NZ 2.86Å; E58-K61 PolarHBondContact OE1-NZ 3.35Å; E58-K61 IonicContact OE2-NZ 3.78Å; K61-L63 VanDerWaalsContact C-N 3.32Å; K61-L63 PolarHBondContact O-N 3.08Å; K61-K64 WeakPolarHBondContact O-CB 3.42Å; K61-K64 PolarHBondContact O-N 3.3Å; K61-E65 WeakPolarHBondContact CE-OE1 3.42Å; K61-E65 WeakPolarHBondContact O-CG 3.44Å; K61-E65 PolarHBondContact O-N 2.89Å
62M74Confident75.5Confident94 Ų9475 Ų7546%0.46337%0.367SS..Hα-helixtrans-57.9-44.5173.9-72.8-170.3-128.300112E58 K64 E65 H66 E1342E58-M62 HydrophobicContact CB-CE 4.49Å; E58-M62 HydrophobicContact CG-CE 3.74Å; E58-M62 WeakPolarHBondContact O-CG 3.4Å; E58-M62 PolarHBondContact O-N 3.08Å; M62-K64 VanDerWaalsContact C-N 3.32Å; M62-K64 PolarHBondContact O-N 3.35Å; M62-E65 PolarHBondContact O-N 2.84Å; M62-H66 WeakPolarHBondContact O-CB 3.38Å; M62-H66 PolarHBondContact O-N 3.28Å; M62-E1342 WeakPolarHBondContact CE-OE1 3.2Å
63L77.5Confident76.3Confident83 Ų8373.6 Ų73.644%0.43536%0.36SS..Hα-helixtrans-63.5-40.7178-18061.3000111.5L38 R59 T60 K61 H66 I67L38-L63 HydrophobicContact CD1-CD2 4.02Å; L38-L63 HydrophobicContact CD1-CG 4.01Å; L38-L63 HydrophobicContact CD2-CD2 4.03Å; R59-L63 WeakPolarHBondContact O-CB 3.45Å; R59-L63 PolarHBondContact O-N 3.11Å; T60-L63 PolarHBondContact O-N 3.46Å; K61-L63 VanDerWaalsContact C-N 3.32Å; K61-L63 PolarHBondContact O-N 3.08Å; L63-H66 PolarHBondContact O-N 3.3Å; L63-I67 HydrophobicContact CD1-CD1 4.19Å; L63-I67 HydrophobicContact CD1-CG1 4.48Å; L63-I67 HydrophobicContact CG-CD1 3.99Å; L63-I67 VanDerWaalsContact O-CG1 3.28Å; L63-I67 WeakPolarHBondContact O-CG1 3.47Å; L63-I67 PolarHBondContact O-N 2.92Å
64K79.8Confident77.1Confident58 Ų5870.2 Ų70.225%0.25234%0.344SS..Hα-helixtrans-61.3-50.3176.9-178.2-167.1166.1-179.20111.6L35 Y39 T60 K61 M62 H66 I67 E68L35-K64 HydrophobicContact CD1-CB 4.46Å; L35-K64 HydrophobicContact CD1-CG 3.61Å; Y39-K64 WeakPolarHBondContact OH-CE 3.36Å; Y39-K64 PolarHBondContact OH-NZ 3.4Å; T60-K64 VanDerWaalsContact O-CB 3.3Å; T60-K64 WeakPolarHBondContact O-CB 3.34Å; T60-K64 PolarHBondContact O-N 2.99Å; K61-K64 WeakPolarHBondContact O-CB 3.42Å; K61-K64 PolarHBondContact O-N 3.3Å; M62-K64 VanDerWaalsContact C-N 3.32Å; M62-K64 PolarHBondContact O-N 3.35Å; K64-H66 VanDerWaalsContact C-N 3.28Å; K64-H66 PolarHBondContact O-N 2.75Å; K64-I67 PolarHBondContact O-N 3.38Å; K64-I67 VanDerWaalsContact O-N 3.13Å; K64-E68 WeakPolarHBondContact CE-OE1 3.49Å; K64-E68 IonicContact NZ-OE1 3.79Å; K64-E68 WeakPolarHBondContact O-CG 3.24Å; K64-E68 PolarHBondContact O-N 2.92Å
65E78.5Confident77.7Confident57 Ų5766.8 Ų66.827%0.26633%0.331SS..Hα-helixtrans-61.5-37.8177.9-70.6177.2-167.800111.7K61 M62 E68 G69K61-E65 WeakPolarHBondContact CE-OE1 3.42Å; K61-E65 WeakPolarHBondContact O-CG 3.44Å; K61-E65 PolarHBondContact O-N 2.89Å; M62-E65 PolarHBondContact O-N 2.84Å; E65-E68 PolarHBondContact O-N 3.39Å; E65-G69 PolarHBondContact O-N 2.95Å
66H76.5Confident78.1Confident107 Ų10768.5 Ų68.550%0.49533%0.325SS..Hα-helixtrans-62.7-42.3174.1-179.768.1000112.1M62 L63 K64 G69 N70M62-H66 WeakPolarHBondContact O-CB 3.38Å; M62-H66 PolarHBondContact O-N 3.28Å; L63-H66 PolarHBondContact O-N 3.3Å; K64-H66 VanDerWaalsContact C-N 3.28Å; K64-H66 PolarHBondContact O-N 2.75Å; H66-G69 PolarHBondContact O-N 3.01Å; H66-N70 PolarHBondContact CD2-ND2 3.43Å; H66-N70 PolarHBondContact NE2-ND2 2.95Å; H66-N70 VanDerWaalsContact NE2-ND2 3.1Å; H66-N70 PolarHBondContact O-N 2.89Å; H66-N70 PolarHBondContact O-ND2 3.29Å
67I78.6Confident78.5Confident7 Ų768.3 Ų68.34%0.03633%0.326CS..Hα-helixtrans-67.2-42.7177.1-68.2163.4000111N31 R34 L35 L38 L63 K64 N70 I71N31-I67 HydrophobicContact CB-CG2 4.06Å; N31-I67 VanDerWaalsContact O-CG2 3.26Å; N31-I67 WeakPolarHBondContact O-CG2 3.47Å; R34-I67 HydrophobicContact CB-CD1 4.05Å; L35-I67 HydrophobicContact CB-CG2 3.94Å; L35-I67 HydrophobicContact CD1-CB 4.17Å; L35-I67 HydrophobicContact CD1-CG2 3.95Å; L35-I67 HydrophobicContact CG-CG2 4.45Å; L38-I67 HydrophobicContact CD1-CD1 3.45Å; L38-I67 VanDerWaalsContact CD1-CD1 3.45Å; L63-I67 HydrophobicContact CD1-CD1 4.19Å; L63-I67 HydrophobicContact CD1-CG1 4.48Å; L63-I67 HydrophobicContact CG-CD1 3.99Å; L63-I67 VanDerWaalsContact O-CG1 3.28Å; L63-I67 WeakPolarHBondContact O-CG1 3.47Å; L63-I67 PolarHBondContact O-N 2.92Å; K64-I67 PolarHBondContact O-N 3.38Å; K64-I67 VanDerWaalsContact O-N 3.13Å; I67-N70 PolarHBondContact O-N 3.45Å; I67-I71 HydrophobicContact CG2-CD1 4.18Å; I67-I71 WeakPolarHBondContact O-CG1 3.47Å; I67-I71 PolarHBondContact O-N 3.06Å
68E83.6Confident78.7Confident62 Ų6264.6 Ų64.629%0.2931%0.307SS..Hα-helixtrans-59.9-45.5175.3-72.9173.6171.700111L35 Y39 K64 E65 N70 I71 E72L35-E68 HydrophobicContact CD1-CG 3.87Å; L35-E68 HydrophobicContact CD2-CG 3.97Å; Y39-E68 PolarHBondContact OH-OE1 3.07Å; K64-E68 WeakPolarHBondContact CE-OE1 3.49Å; K64-E68 IonicContact NZ-OE1 3.79Å; K64-E68 WeakPolarHBondContact O-CG 3.24Å; K64-E68 PolarHBondContact O-N 2.92Å; E65-E68 PolarHBondContact O-N 3.39Å; E68-N70 VanDerWaalsContact C-N 3.34Å; E68-N70 PolarHBondContact O-N 3.33Å; E68-I71 WeakPolarHBondContact O-CB 3.38Å; E68-I71 PolarHBondContact O-N 3.43Å; E68-I71 VanDerWaalsContact O-N 3.13Å; E68-E72 PolarHBondContact O-N 2.99Å; E68-E72 VanDerWaalsContact O-N 3.08Å
69G80.5Confident78.9Confident14 Ų1464.8 Ų64.814%0.14432%0.318CS..Hα-helixtrans-60.7-39.3174.200000113.4E65 H66 I71 E72 I73E65-G69 PolarHBondContact O-N 2.95Å; H66-G69 PolarHBondContact O-N 3.01Å; G69-I71 VanDerWaalsContact C-N 3.32Å; G69-I71 PolarHBondContact O-N 3.17Å; G69-E72 PolarHBondContact O-N 3.12Å; G69-I73 WeakPolarHBondContact O-CG1 3.49Å; G69-I73 PolarHBondContact O-N 3.2Å
70N80.4Confident79.1Confident45 Ų4559.3 Ų59.324%0.24130%0.302CS..Hα-helixtrans-65.1-36.2175.1-69.9-17.5000112.2H66 I67 E68 I73 L74H66-N70 PolarHBondContact CD2-ND2 3.43Å; H66-N70 PolarHBondContact NE2-ND2 2.95Å; H66-N70 VanDerWaalsContact NE2-ND2 3.1Å; H66-N70 PolarHBondContact O-N 2.89Å; H66-N70 PolarHBondContact O-ND2 3.29Å; I67-N70 PolarHBondContact O-N 3.45Å; E68-N70 VanDerWaalsContact C-N 3.34Å; E68-N70 PolarHBondContact O-N 3.33Å; N70-I73 PolarHBondContact O-N 2.92Å; N70-L74 VanDerWaalsContact O-CG 3.27Å; N70-L74 WeakPolarHBondContact O-CG 3.18Å; N70-L74 PolarHBondContact O-N 3.26Å
71I80.1Confident79.1Confident20 Ų2058.1 Ų58.110%0.10330%0.295CS..Hα-helixtrans-63.5-45175-67.6164.6000110.1N31 E32 L35 I67 E68 G69 I73 L74 D75N31-I71 HydrophobicContact CB-CD1 4.39Å; N31-I71 HydrophobicContact CB-CG1 3.89Å; E32-I71 HydrophobicContact CG-CD1 3.97Å; L35-I71 HydrophobicContact CD2-CD1 4.15Å; I67-I71 HydrophobicContact CG2-CD1 4.18Å; I67-I71 WeakPolarHBondContact O-CG1 3.47Å; I67-I71 PolarHBondContact O-N 3.06Å; E68-I71 WeakPolarHBondContact O-CB 3.38Å; E68-I71 PolarHBondContact O-N 3.43Å; E68-I71 VanDerWaalsContact O-N 3.13Å; G69-I71 VanDerWaalsContact C-N 3.32Å; G69-I71 PolarHBondContact O-N 3.17Å; I71-I73 VanDerWaalsContact C-N 3.31Å; I71-I73 PolarHBondContact O-N 3.05Å; I71-L74 PolarHBondContact O-N 2.74Å; I71-L74 VanDerWaalsContact O-N 3.15Å; I71-D75 PolarHBondContact O-N 2.96Å
72E80.2Confident78.9Confident117 Ų11756.2 Ų56.255%0.54730%0.297SS..Hα-helixtrans-61-39.2177.1-67.9-178.5178.800112.6E68 G69 D75 Y76E68-E72 PolarHBondContact O-N 2.99Å; E68-E72 VanDerWaalsContact O-N 3.08Å; G69-E72 PolarHBondContact O-N 3.12Å; E72-D75 PolarHBondContact O-N 3.48Å; E72-Y76 WeakPolarHBondContact O-CB 3.29Å; E72-Y76 PolarHBondContact O-N 2.87Å
73I79.2Confident79Confident72 Ų7256.5 Ų56.537%0.36930%0.301SS..Hα-helixtrans-62.2-44.8174.8-68.2166.2000110.6G69 N70 I71 Y76 L77 I1338G69-I73 WeakPolarHBondContact O-CG1 3.49Å; G69-I73 PolarHBondContact O-N 3.2Å; N70-I73 PolarHBondContact O-N 2.92Å; I71-I73 VanDerWaalsContact C-N 3.31Å; I71-I73 PolarHBondContact O-N 3.05Å; I73-Y76 PolarHBondContact O-N 3.36Å; I73-L77 HydrophobicContact CG2-CD1 4.12Å; I73-L77 WeakPolarHBondContact O-CG 3.29Å; I73-L77 PolarHBondContact O-N 2.88Å; I73-I1338 HydrophobicContact CD1-CD1 4.4Å
74L78.4Confident79Confident10 Ų1055.2 Ų55.25%0.05229%0.292CS..Hα-helixtrans-66-39.7179.3-68.7167.5000111.6I24 E27 R28 N70 I71 Y76 L77 Q78I24-L74 HydrophobicContact CG2-CB 4.22Å; I24-L74 HydrophobicContact CG2-CD2 3.95Å; E27-L74 HydrophobicContact CB-CD1 4.16Å; E27-L74 HydrophobicContact CB-CD2 4.35Å; E27-L74 HydrophobicContact CG-CD1 4Å; E27-L74 HydrophobicContact CG-CD2 4.42Å; R28-L74 HydrophobicContact CB-CB 4.38Å; R28-L74 HydrophobicContact CB-CD1 4.04Å; N70-L74 VanDerWaalsContact O-CG 3.27Å; N70-L74 WeakPolarHBondContact O-CG 3.18Å; N70-L74 PolarHBondContact O-N 3.26Å; I71-L74 PolarHBondContact O-N 2.74Å; I71-L74 VanDerWaalsContact O-N 3.15Å; L74-Y76 VanDerWaalsContact C-N 3.34Å; L74-Y76 PolarHBondContact O-N 2.77Å; L74-L77 PolarHBondContact O-N 2.71Å; L74-Q78 VanDerWaalsContact O-CB 3.24Å; L74-Q78 WeakPolarHBondContact O-CB 3.45Å; L74-Q78 PolarHBondContact O-N 3.43Å
75D81.7Confident78.9Confident65 Ų6557.7 Ų57.735%0.34830%0.3SS..Hα-helixtrans-63.2-40.5174.7-74.3-11.4000111.5R28 I71 E72 Q78 G79R28-D75 WeakPolarHBondContact CD-OD1 3.32Å; R28-D75 IonicContact CZ-OD1 3.88Å; R28-D75 IonicContact NE-OD1 2.78Å; R28-D75 PolarHBondContact NE-OD1 3.48Å; R28-D75 IonicContact NH2-OD1 2.74Å; I71-D75 PolarHBondContact O-N 2.96Å; E72-D75 PolarHBondContact O-N 3.48Å; D75-Q78 PolarHBondContact O-N 2.92Å; D75-G79 PolarHBondContact O-N 2.98Å
76Y79.5Confident78.9Confident75 Ų7557.7 Ų57.729%0.29430%0.302SS..Hα-helixtrans-63.4-45.5174.7174.7-104.5000112.2E72 I73 L74 Q78 G79 I80 H147 H151E72-Y76 WeakPolarHBondContact O-CB 3.29Å; E72-Y76 PolarHBondContact O-N 2.87Å; I73-Y76 PolarHBondContact O-N 3.36Å; L74-Y76 VanDerWaalsContact C-N 3.34Å; L74-Y76 PolarHBondContact O-N 2.77Å; Y76-Q78 VanDerWaalsContact C-N 3.34Å; Y76-G79 PolarHBondContact O-N 2.87Å; Y76-I80 HydrophobicContact CD1-CD1 4.37Å; Y76-I80 HydrophobicContact CE1-CD1 3.89Å; Y76-I80 PolarHBondContact O-N 3.36Å; Y76-H147 AromaticContact CZ-CE1 3.78Å; Y76-H147 AromaticContact CZ-NE2 3.72Å; Y76-H147 PolarHBondContact OH-CE1 3.46Å; Y76-H147 PolarHBondContact OH-NE2 3.47Å; Y76-H151 PolarHBondContact OH-ND1 3.48Å
77L78.9Confident79.2Confident74 Ų7457 Ų5739%0.38730%0.297SS..Hα-helixtrans-65.4-38.3176.3-69.3175.3000111.8I24 I73 L74 G79 I80 S81I24-L77 HydrophobicContact CD1-CB 4.22Å; I73-L77 HydrophobicContact CG2-CD1 4.12Å; I73-L77 WeakPolarHBondContact O-CG 3.29Å; I73-L77 PolarHBondContact O-N 2.88Å; L74-L77 PolarHBondContact O-N 2.71Å; L77-G79 VanDerWaalsContact C-N 3.29Å; L77-G79 PolarHBondContact O-N 3Å; L77-I80 PolarHBondContact O-N 3.35Å; L77-I80 VanDerWaalsContact O-N 3.16Å; L77-S81 PolarHBondContact O-N 3.24Å
78Q79.4Confident79.3Confident61 Ų6158.7 Ų58.729%0.28531%0.31SS..Hα-helixtrans-63.5-36174.2-173.5170.822.700111.9I24 L74 D75 Y76 I80 S81 G82I24-Q78 HydrophobicContact CG2-CB 4.24Å; L74-Q78 VanDerWaalsContact O-CB 3.24Å; L74-Q78 WeakPolarHBondContact O-CB 3.45Å; L74-Q78 PolarHBondContact O-N 3.43Å; D75-Q78 PolarHBondContact O-N 2.92Å; Y76-Q78 VanDerWaalsContact C-N 3.34Å; Q78-I80 VanDerWaalsContact C-N 3.29Å; Q78-I80 PolarHBondContact O-N 2.94Å; Q78-S81 WeakPolarHBondContact CA-OG 3.42Å; Q78-S81 PolarHBondContact O-N 2.93Å; Q78-S81 PolarHBondContact O-OG 3.24Å; Q78-G82 PolarHBondContact O-N 3.35Å
79G78.9Confident79.3Confident41 Ų4159.1 Ų59.142%0.42331%0.311SS..Hα-helixtrans-60.4-37.6172.800000112.9D75 Y76 L77D75-G79 PolarHBondContact O-N 2.98Å; Y76-G79 PolarHBondContact O-N 2.87Å; L77-G79 VanDerWaalsContact C-N 3.29Å; L77-G79 PolarHBondContact O-N 3Å
80I78.6Confident79.5Confident71 Ų7162.6 Ų62.636%0.36433%0.326SS..Hα-helixtrans-75.1-45.4176.2-60.2169.8000110.7Y76 L77 Q78 G82 L83Y76-I80 HydrophobicContact CD1-CD1 4.37Å; Y76-I80 HydrophobicContact CE1-CD1 3.89Å; Y76-I80 PolarHBondContact O-N 3.36Å; L77-I80 PolarHBondContact O-N 3.35Å; L77-I80 VanDerWaalsContact O-N 3.16Å; Q78-I80 VanDerWaalsContact C-N 3.29Å; Q78-I80 PolarHBondContact O-N 2.94Å; I80-G82 PolarHBondContact O-N 2.98Å; I80-L83 WeakPolarHBondContact O-CB 3.47Å; I80-L83 WeakPolarHBondContact O-CG 3.26Å; I80-L83 PolarHBondContact O-N 3.44Å; I80-L83 VanDerWaalsContact O-N 3.14Å
81S77.2Confident79.7Confident10 Ų1062.7 Ų62.77%0.0733%0.333CS..Hα-helixtrans-65.6-19.9178.5750000112.5L77 Q78 L83 E84L77-S81 PolarHBondContact O-N 3.24Å; Q78-S81 WeakPolarHBondContact CA-OG 3.42Å; Q78-S81 PolarHBondContact O-N 2.93Å; Q78-S81 PolarHBondContact O-OG 3.24Å; S81-L83 PolarHBondContact O-N 3.27Å; S81-L83 VanDerWaalsContact O-N 3.13Å; S81-E84 WeakPolarHBondContact O-CB 3.3Å; S81-E84 VanDerWaalsContact O-CG 3.24Å; S81-E84 WeakPolarHBondContact O-CG 3.42Å; S81-E84 PolarHBondContact O-N 3.21Å
82G76.4Confident80Confident37 Ų3765.5 Ų65.538%0.38135%0.348SS..Hα-helixtrans-55.3-27.3171.200000114Q78 I80 E84 R85Q78-G82 PolarHBondContact O-N 3.35Å; I80-G82 PolarHBondContact O-N 2.98Å; G82-E84 VanDerWaalsContact C-N 3.26Å; G82-E84 PolarHBondContact O-N 2.92Å; G82-R85 WeakPolarHBondContact O-CB 3.49Å; G82-R85 PolarHBondContact O-N 3.49Å
83L76.2Confident80.3Confident101 Ų10165.1 Ų65.153%0.52934%0.342SS..Hα-helixtrans-65.7-28.1175.3-63.7174.7000112.6I80 S81 R85 D86 F87I80-L83 WeakPolarHBondContact O-CB 3.47Å; I80-L83 WeakPolarHBondContact O-CG 3.26Å; I80-L83 PolarHBondContact O-N 3.44Å; I80-L83 VanDerWaalsContact O-N 3.14Å; S81-L83 PolarHBondContact O-N 3.27Å; S81-L83 VanDerWaalsContact O-N 3.13Å; L83-R85 VanDerWaalsContact C-N 3.26Å; L83-R85 PolarHBondContact O-N 3Å; L83-D86 PolarHBondContact O-N 2.84Å; L83-F87 HydrophobicContact CB-CE2 4.43Å; L83-F87 WeakPolarHBondContact O-CD2 3.48Å; L83-F87 PolarHBondContact O-N 3.26Å
84E76Confident80.7Confident56 Ų5664.6 Ų64.626%0.26234%0.341SS..Hα-helixtrans-61.4-37.7-179-57.9172175.200111.1H17 S81 G82 D86 F87 S88H17-E84 IonicContact CD2-OE2 3.97Å; H17-E84 VanDerWaalsContact NE2-CB 3.31Å; H17-E84 WeakPolarHBondContact NE2-CB 3.45Å; H17-E84 PolarHBondContact NE2-O 2.98Å; S81-E84 WeakPolarHBondContact O-CB 3.3Å; S81-E84 VanDerWaalsContact O-CG 3.24Å; S81-E84 WeakPolarHBondContact O-CG 3.42Å; S81-E84 PolarHBondContact O-N 3.21Å; G82-E84 VanDerWaalsContact C-N 3.26Å; G82-E84 PolarHBondContact O-N 2.92Å; E84-D86 VanDerWaalsContact C-N 3.28Å; E84-D86 PolarHBondContact O-N 3.02Å; E84-F87 PolarHBondContact O-N 3.05Å; E84-S88 WeakPolarHBondContact O-CB 3.44Å; E84-S88 PolarHBondContact O-N 2.99Å; E84-S88 PolarHBondContact O-OG 3.26Å; E84-S88 VanDerWaalsContact O-OG 3.13Å
85R77.7Confident81.2Confident110 Ų11068.1 Ų68.142%0.41536%0.36SS..Hα-helixtrans-57.2-41.3176.6-172.3-177.573.3160.78.1112.1G82 L83 K89 D853G82-R85 WeakPolarHBondContact O-CB 3.49Å; G82-R85 PolarHBondContact O-N 3.49Å; L83-R85 VanDerWaalsContact C-N 3.26Å; L83-R85 PolarHBondContact O-N 3Å; R85-K89 WeakPolarHBondContact O-CB 3.43Å; R85-K89 WeakPolarHBondContact O-CG 3.4Å; R85-K89 PolarHBondContact O-N 3.04Å; R85-D853 IonicContact CZ-OD1 2.72Å; R85-D853 IonicContact NH2-OD1 2.93Å; R85-D853 PolarHBondContact NH2-OD1 3.3Å
86D79.1Confident81.5Confident57 Ų5769.4 Ų69.431%0.30537%0.367SS..Hα-helixtrans-73.3-37.1-176.5-65.3-19.2000111L83 E84 L90L83-D86 PolarHBondContact O-N 2.84Å; E84-D86 VanDerWaalsContact C-N 3.28Å; E84-D86 PolarHBondContact O-N 3.02Å; D86-L90 WeakPolarHBondContact O-CB 3.25Å; D86-L90 PolarHBondContact O-N 3.08Å
87F81.8Confident81.8Confident91 Ų9168.8 Ų68.840%0.39937%0.37SS..Hα-helixtrans-65.4-45.3172.1-72.7-65.7000112.3L83 E84 L90 A91 I136 I140L83-F87 HydrophobicContact CB-CE2 4.43Å; L83-F87 WeakPolarHBondContact O-CD2 3.48Å; L83-F87 PolarHBondContact O-N 3.26Å; E84-F87 PolarHBondContact O-N 3.05Å; F87-L90 WeakPolarHBondContact O-CB 3.48Å; F87-L90 PolarHBondContact O-N 2.82Å; F87-A91 PolarHBondContact O-N 2.83Å; F87-I136 HydrophobicContact CE1-CG2 4.07Å; F87-I140 HydrophobicContact CE1-CD1 3.46Å; F87-I140 VanDerWaalsContact CE1-CD1 3.46Å; F87-I140 HydrophobicContact CE1-CG1 4.38Å; F87-I140 HydrophobicContact CE2-CD1 4.12Å; F87-I140 HydrophobicContact CZ-CD1 3.21Å; F87-I140 HydrophobicContact CZ-CG1 3.77Å
88S80.8Confident82.2Confident43 Ų4366.8 Ų66.830%0.30137%0.365SS..Hα-helixtrans-61.8-45.6177.5-65.50000111.4H17 E84 L90 A91 D92H17-S88 PolarHBondContact CD2-OG 2.86Å; H17-S88 PolarHBondContact NE2-OG 3.13Å; H17-S88 VanDerWaalsContact NE2-OG 3.08Å; E84-S88 WeakPolarHBondContact O-CB 3.44Å; E84-S88 PolarHBondContact O-N 2.99Å; E84-S88 PolarHBondContact O-OG 3.26Å; E84-S88 VanDerWaalsContact O-OG 3.13Å; S88-L90 VanDerWaalsContact C-N 3.32Å; S88-L90 PolarHBondContact O-N 3.41Å; S88-A91 PolarHBondContact O-N 2.96Å; S88-D92 PolarHBondContact O-N 3.2Å
89K85Confident82.5Confident71 Ų7168.7 Ų68.731%0.30938%0.376SS..Hα-helixtrans-59.9-39.8173.8-78.7-176.7176.8-1700112.2R85 R93 E861R85-K89 WeakPolarHBondContact O-CB 3.43Å; R85-K89 WeakPolarHBondContact O-CG 3.4Å; R85-K89 PolarHBondContact O-N 3.04Å; K89-R93 VanDerWaalsContact O-CG 3.28Å; K89-R93 WeakPolarHBondContact O-CG 3.29Å; K89-R93 PolarHBondContact O-N 3.28Å; K89-E861 IonicContact NZ-OE1 3.28Å; K89-E861 PolarHBondContact NZ-OE1 3.09Å
90L84.3Confident82.8Confident88 Ų8870.3 Ų70.346%0.46138%0.378SS..Hα-helixtrans-65.7-45.4177.2178.962.5000111.2D86 F87 S88 R93 V94D86-L90 WeakPolarHBondContact O-CB 3.25Å; D86-L90 PolarHBondContact O-N 3.08Å; F87-L90 WeakPolarHBondContact O-CB 3.48Å; F87-L90 PolarHBondContact O-N 2.82Å; S88-L90 VanDerWaalsContact C-N 3.32Å; S88-L90 PolarHBondContact O-N 3.41Å; L90-R93 PolarHBondContact O-N 3.5Å; L90-V94 WeakPolarHBondContact O-CG2 3.48Å; L90-V94 PolarHBondContact O-N 3.22Å
91A85.5Confident83Confident47 Ų4771.1 Ų71.139%0.38838%0.382SS..Hα-helixtrans-60.1-47.817700000111.5F87 S88 R93 V94 I95F87-A91 PolarHBondContact O-N 2.83Å; S88-A91 PolarHBondContact O-N 2.96Å; A91-R93 VanDerWaalsContact C-N 3.28Å; A91-R93 PolarHBondContact O-N 3.29Å; A91-V94 PolarHBondContact O-N 3.39Å; A91-V94 VanDerWaalsContact O-N 3.13Å; A91-I95 WeakPolarHBondContact O-CG1 3.43Å; A91-I95 PolarHBondContact O-N 3.39Å
92D85.9Confident83.2Confident79 Ų7974.7 Ų74.742%0.42241%0.407SS..Hα-helixtrans-57.7-40.7176-79.2-18.4000111.7S88 N96S88-D92 PolarHBondContact O-N 3.2Å; D92-N96 VanDerWaalsContact O-CB 3.24Å; D92-N96 WeakPolarHBondContact O-CB 3.45Å; D92-N96 VanDerWaalsContact O-CG 3.22Å; D92-N96 PolarHBondContact O-N 2.82Å; D92-N96 PolarHBondContact O-ND2 3.02Å
93R87.1Confident83.4Confident109 Ų10974.7 Ų74.741%0.41140%0.403SS..Hα-helixtrans-64.8-43.7176.2-76.3173.6-178.7-172.2-0.5112K89 L90 A91 T97 T858K89-R93 VanDerWaalsContact O-CG 3.28Å; K89-R93 WeakPolarHBondContact O-CG 3.29Å; K89-R93 PolarHBondContact O-N 3.28Å; L90-R93 PolarHBondContact O-N 3.5Å; A91-R93 VanDerWaalsContact C-N 3.28Å; A91-R93 PolarHBondContact O-N 3.29Å; R93-T97 WeakPolarHBondContact O-CB 3.49Å; R93-T97 PolarHBondContact O-N 3.18Å; R93-T97 PolarHBondContact O-OG1 3.05Å; R93-T858 PolarHBondContact NH2-OG1 3.25Å
94V86.9Confident83.3Confident60 Ų6077.8 Ų77.836%0.36441%0.408SS..Hα-helixtrans-62.5-47.1178.3172.70000110.3L90 A91 T97 A98 W126L90-V94 WeakPolarHBondContact O-CG2 3.48Å; L90-V94 PolarHBondContact O-N 3.22Å; A91-V94 PolarHBondContact O-N 3.39Å; A91-V94 VanDerWaalsContact O-N 3.13Å; V94-T97 PolarHBondContact O-N 3.11Å; V94-A98 WeakPolarHBondContact O-CB 3.4Å; V94-A98 PolarHBondContact O-N 3.42Å; V94-W126 HydrophobicContact CG1-CH2 4.37Å; V94-W126 HydrophobicContact CG1-CZ3 4.23Å
95I88.3Confident83.4Confident85 Ų8582.6 Ų82.644%0.43644%0.436SS..Hα-helixtrans-62.7-51.7178.9-66.8166.9000110.9A91 T97 A98 I99A91-I95 WeakPolarHBondContact O-CG1 3.43Å; A91-I95 PolarHBondContact O-N 3.39Å; I95-T97 VanDerWaalsContact C-N 3.26Å; I95-T97 PolarHBondContact O-N 3.49Å; I95-A98 WeakPolarHBondContact O-CB 3.48Å; I95-A98 PolarHBondContact O-N 2.86Å; I95-A98 VanDerWaalsContact O-N 3.13Å; I95-I99 HydrophobicContact CG2-CD1 3.75Å; I95-I99 HydrophobicContact CG2-CG1 4.43Å; I95-I99 WeakPolarHBondContact O-CG1 3.43Å; I95-I99 PolarHBondContact O-N 3.28Å
96N87.7Confident83.2Confident92 Ų9281.9 Ų81.949%0.49244%0.44SS..Hα-helixtrans-61.9-36.6-179.9-74.7-44.8000112.1D92 T100D92-N96 VanDerWaalsContact O-CB 3.24Å; D92-N96 WeakPolarHBondContact O-CB 3.45Å; D92-N96 VanDerWaalsContact O-CG 3.22Å; D92-N96 PolarHBondContact O-N 2.82Å; D92-N96 PolarHBondContact O-ND2 3.02Å; N96-T100 VanDerWaalsContact O-CB 3.28Å; N96-T100 WeakPolarHBondContact O-CB 3.41Å; N96-T100 PolarHBondContact O-N 3.08Å; N96-T100 PolarHBondContact O-OG1 3.24Å
97T86.1Confident82.9Confident61 Ų6180.3 Ų80.337%0.37443%0.432SS..Hα-helixtrans-66.9-43.7175.3-56.10000110.7R93 V94 I95 I99 T100 L101R93-T97 WeakPolarHBondContact O-CB 3.49Å; R93-T97 PolarHBondContact O-N 3.18Å; R93-T97 PolarHBondContact O-OG1 3.05Å; V94-T97 PolarHBondContact O-N 3.11Å; I95-T97 VanDerWaalsContact C-N 3.26Å; I95-T97 PolarHBondContact O-N 3.49Å; T97-I99 PolarHBondContact O-N 3.34Å; T97-T100 PolarHBondContact O-N 2.97Å; T97-L101 HydrophobicContact CG2-CD1 3.83Å; T97-L101 HydrophobicContact CG2-CG 4.25Å; T97-L101 WeakPolarHBondContact O-CB 3.43Å; T97-L101 VanDerWaalsContact O-CG 3.26Å; T97-L101 WeakPolarHBondContact O-CG 3.22Å; T97-L101 PolarHBondContact O-N 3.2Å
98A87.3Confident82.6Confident33 Ų3380.3 Ų80.327%0.27345%0.449SS..Hα-helixtrans-59.6-47.1175.700000111.8V94 I95 T100 L101 S102 W126V94-A98 WeakPolarHBondContact O-CB 3.4Å; V94-A98 PolarHBondContact O-N 3.42Å; I95-A98 WeakPolarHBondContact O-CB 3.48Å; I95-A98 PolarHBondContact O-N 2.86Å; I95-A98 VanDerWaalsContact O-N 3.13Å; A98-T100 PolarHBondContact O-N 3.42Å; A98-L101 PolarHBondContact O-N 3.32Å; A98-S102 WeakPolarHBondContact O-CB 3.11Å; A98-S102 PolarHBondContact O-N 3.34Å; A98-S102 PolarHBondContact O-OG 2.98Å; A98-W126 HydrophobicContact CB-CH2 3.9Å; A98-W126 HydrophobicContact CB-CZ2 3.97Å
99I85.1Confident82.5Confident100 Ų10082.8 Ų82.851%0.51346%0.456SS..Hα-helixtrans-60.5-47.4176.7-66.3168.7000110.3I95 T97 L101 S102 A103I95-I99 HydrophobicContact CG2-CD1 3.75Å; I95-I99 HydrophobicContact CG2-CG1 4.43Å; I95-I99 WeakPolarHBondContact O-CG1 3.43Å; I95-I99 PolarHBondContact O-N 3.28Å; T97-I99 PolarHBondContact O-N 3.34Å; I99-L101 VanDerWaalsContact C-N 3.35Å; I99-L101 PolarHBondContact O-N 3.31Å; I99-S102 PolarHBondContact O-N 3.38Å; I99-S102 PolarHBondContact O-OG 3.33Å; I99-A103 PolarHBondContact O-N 3.46Å
100T85.1Confident82.1Confident76 Ų7680.4 Ų80.447%0.46645%0.448SS..Hα-helixtrans-61.9-42.2-179.7-57.80000111.6N96 T97 A98 S102 A103 N106N96-T100 VanDerWaalsContact O-CB 3.28Å; N96-T100 WeakPolarHBondContact O-CB 3.41Å; N96-T100 PolarHBondContact O-N 3.08Å; N96-T100 PolarHBondContact O-OG1 3.24Å; T97-T100 PolarHBondContact O-N 2.97Å; A98-T100 PolarHBondContact O-N 3.42Å; T100-S102 VanDerWaalsContact C-N 3.32Å; T100-A103 PolarHBondContact O-N 2.93Å; T100-N106 WeakPolarHBondContact CG2-ND2 3.25Å; T100-N106 PolarHBondContact O-ND2 3.01Å
101L83.8Confident81.8Confident88 Ų8881.8 Ų81.846%0.46145%0.452SS..Hα-helixtrans-72.7-24178.7-69.3175.7000113.1T97 A98 I99 A103T97-L101 HydrophobicContact CG2-CD1 3.83Å; T97-L101 HydrophobicContact CG2-CG 4.25Å; T97-L101 WeakPolarHBondContact O-CB 3.43Å; T97-L101 VanDerWaalsContact O-CG 3.26Å; T97-L101 WeakPolarHBondContact O-CG 3.22Å; T97-L101 PolarHBondContact O-N 3.2Å; A98-L101 PolarHBondContact O-N 3.32Å; I99-L101 VanDerWaalsContact C-N 3.35Å; I99-L101 PolarHBondContact O-N 3.31Å; L101-A103 VanDerWaalsContact C-N 3.35Å
102S81.5Confident81.3Confident85 Ų8586.7 Ų86.759%0.59446%0.46SS*.Hα-helixtrans-76.9-19.7176.772.80000113.9A98 I99 T100 R104A98-S102 WeakPolarHBondContact O-CB 3.11Å; A98-S102 PolarHBondContact O-N 3.34Å; A98-S102 PolarHBondContact O-OG 2.98Å; I99-S102 PolarHBondContact O-N 3.38Å; I99-S102 PolarHBondContact O-OG 3.33Å; T100-S102 VanDerWaalsContact C-N 3.32Å; S102-R104 PolarHBondContact O-N 2.87Å
103A80.7Confident80.8Confident36 Ų3685.9 Ų85.930%0.29846%0.455SS..  trans-75.6116.7-179.200000110.7I99 T100 L101 D105 N106I99-A103 PolarHBondContact O-N 3.46Å; T100-A103 PolarHBondContact O-N 2.93Å; L101-A103 VanDerWaalsContact C-N 3.35Å; A103-D105 PolarHBondContact O-N 3.02Å; A103-D105 VanDerWaalsContact O-N 3.16Å; A103-N106 WeakPolarHBondContact O-CB 3.31Å; A103-N106 PolarHBondContact O-N 3.03Å
104R73.5Confident80.5Confident166 Ų16686.2 Ų86.263%0.62646%0.457SS*.G310 helixtrans-53.9-36.9179.5-167.7177.6-177.31751.4112.7S102 N106 V107 P110 Y114S102-R104 PolarHBondContact O-N 2.87Å; R104-N106 PolarHBondContact O-N 2.74Å; R104-V107 PolarHBondContact O-N 3.33Å; R104-V107 VanDerWaalsContact O-N 3.08Å; R104-P110 HydrophobicContact CG-CB 3.7Å; R104-P110 HydrophobicContact CG-CG 4.1Å; R104-Y114 HydrophobicContact CG-CE2 4.18Å
105D77.7Confident80.2Confident158 Ų15886 Ų8685%0.84545%0.454SS*.G310 helixtrans-65.9-20-178.7-58.2-21000113.4A103 V107A103-D105 PolarHBondContact O-N 3.02Å; A103-D105 VanDerWaalsContact O-N 3.16Å; D105-V107 VanDerWaalsContact C-N 3.33Å
106N74.8Confident79.7Confident94 Ų9490.4 Ų90.450%0.50347%0.473SS..G310 helixtrans-86.2-6.4177.2-67.9-23.7000112.8T100 A103 R104T100-N106 WeakPolarHBondContact CG2-ND2 3.25Å; T100-N106 PolarHBondContact O-ND2 3.01Å; A103-N106 WeakPolarHBondContact O-CB 3.31Å; A103-N106 PolarHBondContact O-N 3.03Å; R104-N106 PolarHBondContact O-N 2.74Å
107V72.5Confident79.4Confident24 Ų2491.3 Ų91.315%0.14547%0.474CS..  trans-108.5115.4-178.1178.20000109R104 D105 H109 P110 I113R104-V107 PolarHBondContact O-N 3.33Å; R104-V107 VanDerWaalsContact O-N 3.08Å; D105-V107 VanDerWaalsContact C-N 3.33Å; V107-H109 VanDerWaalsContact C-N 3.26Å; V107-H109 PolarHBondContact O-N 2.89Å; V107-P110 HydrophobicContact CG1-CB 4.44Å; V107-P110 WeakPolarHBondContact O-CD 3.41Å; V107-I113 HydrophobicContact CG1-CB 4.25Å; V107-I113 HydrophobicContact CG1-CD1 3.44Å; V107-I113 VanDerWaalsContact CG1-CD1 3.44Å; V107-I113 HydrophobicContact CG1-CG1 4.03Å
108A76Confident79.2Confident91 Ų9189.6 Ų89.675%0.75246%0.464SS*.SBendtrans-61.6-30.6-176.300000114.1
109H77.3Confident79.1Confident96 Ų9689.5 Ų89.544%0.44447%0.466SS..  trans-134.770.2-177.4-63.7-57.5000110.6V107 E111 R112V107-H109 VanDerWaalsContact C-N 3.26Å; V107-H109 PolarHBondContact O-N 2.89Å; H109-E111 WeakPolarHBondContact CA-OE1 3.47Å; H109-E111 WeakPolarHBondContact CB-OE1 3.4Å; H109-E111 IonicContact CG-OE1 3.84Å; H109-E111 IonicContact ND1-OE1 3.51Å; H109-E111 PolarHBondContact O-N 2.95Å; H109-R112 HydrophobicContact CB-CB 4.35Å; H109-R112 HydrophobicContact CB-CG 4.19Å; H109-R112 PolarHBondContact O-N 3.5Å
110P76.8Confident79Confident20 Ų2086.7 Ų86.713%0.1346%0.457CS..Hα-helixtrans-58.9-35.1-173.625.1-34.2000112.2R104 V107 R112 I113 Y114R104-P110 HydrophobicContact CG-CB 3.7Å; R104-P110 HydrophobicContact CG-CG 4.1Å; V107-P110 HydrophobicContact CG1-CB 4.44Å; V107-P110 WeakPolarHBondContact O-CD 3.41Å; P110-R112 PolarHBondContact O-N 3.22Å; P110-R112 VanDerWaalsContact O-N 3.15Å; P110-I113 PolarHBondContact O-N 3.33Å; P110-I113 VanDerWaalsContact O-N 3.1Å; P110-Y114 HydrophobicContact CB-CD2 3.58Å; P110-Y114 HydrophobicContact CB-CE2 3.54Å; P110-Y114 WeakPolarHBondContact O-CD2 3.34Å; P110-Y114 PolarHBondContact O-N 3.12Å
111E77.1Confident78.9Confident118 Ų11886 Ų8655%0.55145%0.451SS*.Hα-helixtrans-60.4-21.5177.166.6-71.8163.600114.5H109H109-E111 WeakPolarHBondContact CA-OE1 3.47Å; H109-E111 WeakPolarHBondContact CB-OE1 3.4Å; H109-E111 IonicContact CG-OE1 3.84Å; H109-E111 IonicContact ND1-OE1 3.51Å; H109-E111 PolarHBondContact O-N 2.95Å
112R75.3Confident79Confident149 Ų14985.1 Ų85.156%0.56245%0.449SS*.Hα-helixtrans-94.8-13.9177.3-60.5-174.8-176.4-176.30.5113.8H109 P110H109-R112 HydrophobicContact CB-CB 4.35Å; H109-R112 HydrophobicContact CB-CG 4.19Å; H109-R112 PolarHBondContact O-N 3.5Å; P110-R112 PolarHBondContact O-N 3.22Å; P110-R112 VanDerWaalsContact O-N 3.15Å
113I76.9Confident79.3Confident62 Ų6286.5 Ų86.532%0.31845%0.45SS..Hα-helixtrans-111.8-23.8-173.8-55.2-167.5000111.7V107 P110 D115 T118V107-I113 HydrophobicContact CG1-CB 4.25Å; V107-I113 HydrophobicContact CG1-CD1 3.44Å; V107-I113 VanDerWaalsContact CG1-CD1 3.44Å; V107-I113 HydrophobicContact CG1-CG1 4.03Å; P110-I113 PolarHBondContact O-N 3.33Å; P110-I113 VanDerWaalsContact O-N 3.1Å; I113-D115 VanDerWaalsContact C-N 3.32Å; I113-D115 PolarHBondContact O-N 3.49Å; I113-T118 VanDerWaalsContact O-CB 3.26Å; I113-T118 WeakPolarHBondContact O-CB 3.23Å; I113-T118 PolarHBondContact O-OG1 3.31Å
114Y79.1Confident79.5Confident116 Ų11691.9 Ų91.946%0.45546%0.463SS..SBendtrans-99.151.8176.4-58.3-61.6000110.7R104 P110R104-Y114 HydrophobicContact CG-CE2 4.18Å; P110-Y114 HydrophobicContact CB-CD2 3.58Å; P110-Y114 HydrophobicContact CB-CE2 3.54Å; P110-Y114 WeakPolarHBondContact O-CD2 3.34Å; P110-Y114 PolarHBondContact O-N 3.12Å
115D80.7Confident80.1Confident57 Ų5787.7 Ų87.731%0.30546%0.458SS..SBendtrans-104.1169.6170.27328.6000111.2I113 E117 T118 G119I113-D115 VanDerWaalsContact C-N 3.32Å; I113-D115 PolarHBondContact O-N 3.49Å; D115-E117 VanDerWaalsContact C-N 3.32Å; D115-E117 PolarHBondContact O-N 2.87Å; D115-E117 PolarHBondContact OD1-N 3.25Å; D115-E117 VanDerWaalsContact OD1-N 3.09Å; D115-T118 VanDerWaalsContact CG-OG1 3.26Å; D115-T118 PolarHBondContact N-OG1 2.99Å; D115-T118 VanDerWaalsContact N-OG1 3.09Å; D115-T118 PolarHBondContact O-OG1 2.95Å; D115-T118 VanDerWaalsContact OD1-CB 3.28Å; D115-T118 WeakPolarHBondContact OD1-CB 3.42Å; D115-T118 WeakPolarHBondContact OD1-CG2 3.33Å; D115-T118 PolarHBondContact OD1-N 3.38Å; D115-T118 PolarHBondContact OD1-OG1 2.97Å; D115-G119 PolarHBondContact O-N 2.98Å
116Q79.4Confident80.7Confident176 Ų17685.1 Ų85.182%0.82244%0.436SS*.Hα-helixtrans-67.7-31.4-177.1-170177.93.700112.9A120Q116-A120 PolarHBondContact O-N 3.48Å
117E80.1Confident81.4Confident111 Ų11187.5 Ų87.552%0.51944%0.442SS..Hα-helixtrans-72.1-45.6-178.7-175.5179.6178.600111.3D115 G119 A120 N121D115-E117 VanDerWaalsContact C-N 3.32Å; D115-E117 PolarHBondContact O-N 2.87Å; D115-E117 PolarHBondContact OD1-N 3.25Å; D115-E117 VanDerWaalsContact OD1-N 3.09Å; E117-G119 VanDerWaalsContact C-N 3.33Å; E117-A120 PolarHBondContact O-N 3.04Å; E117-N121 PolarHBondContact O-N 3.24Å; E117-N121 VanDerWaalsContact O-N 3.08Å; E117-N121 PolarHBondContact O-ND2 3.44Å
118T83.2Confident82Confident26 Ų2689.8 Ų89.816%0.1645%0.449CS..Hα-helixtrans-62.9-38.6172.848.40000111.3I113 D115 A120 N121 V122I113-T118 VanDerWaalsContact O-CB 3.26Å; I113-T118 WeakPolarHBondContact O-CB 3.23Å; I113-T118 PolarHBondContact O-OG1 3.31Å; D115-T118 VanDerWaalsContact CG-OG1 3.26Å; D115-T118 PolarHBondContact N-OG1 2.99Å; D115-T118 VanDerWaalsContact N-OG1 3.09Å; D115-T118 PolarHBondContact O-OG1 2.95Å; D115-T118 VanDerWaalsContact OD1-CB 3.28Å; D115-T118 WeakPolarHBondContact OD1-CB 3.42Å; D115-T118 WeakPolarHBondContact OD1-CG2 3.33Å; D115-T118 PolarHBondContact OD1-N 3.38Å; D115-T118 PolarHBondContact OD1-OG1 2.97Å; T118-A120 PolarHBondContact O-N 3.27Å; T118-N121 CarbonylContact O-C 3.55Å; T118-N121 WeakPolarHBondContact O-CA 3.4Å; T118-N121 WeakPolarHBondContact O-CB 3.32Å; T118-N121 PolarHBondContact O-N 2.9Å; T118-V122 WeakPolarHBondContact O-CG2 3.24Å; T118-V122 PolarHBondContact O-N 3.48Å
119G84.5Confident82.6Confident30 Ų3088.9 Ų88.931%0.30943%0.43SS..Hα-helixtrans-54.2-48.2170.500000112.9D115 E117 N121 V122 D123D115-G119 PolarHBondContact O-N 2.98Å; E117-G119 VanDerWaalsContact C-N 3.33Å; G119-N121 VanDerWaalsContact C-N 3.29Å; G119-N121 PolarHBondContact O-N 2.95Å; G119-V122 WeakPolarHBondContact O-CB 3.34Å; G119-V122 PolarHBondContact O-N 3.14Å; G119-D123 PolarHBondContact O-N 3.38Å
120A83.1Confident83.1Confident41 Ų4187.4 Ų87.434%0.33943%0.431SS..Hα-helixtrans-64.4-31.9175.700000113Q116 E117 T118 R124Q116-A120 PolarHBondContact O-N 3.48Å; E117-A120 PolarHBondContact O-N 3.04Å; T118-A120 PolarHBondContact O-N 3.27Å; A120-R124 VanDerWaalsContact O-CG 3.25Å; A120-R124 WeakPolarHBondContact O-CG 3.25Å; A120-R124 PolarHBondContact O-N 2.93Å; A120-R124 VanDerWaalsContact O-N 3.14Å
121N84.1Confident83.6Confident62 Ų6288.6 Ų88.633%0.33244%0.435SS..Hα-helixtrans-72-37.1174-70.7-36.3000112.2E117 T118 G119 R124 C125E117-N121 PolarHBondContact O-N 3.24Å; E117-N121 VanDerWaalsContact O-N 3.08Å; E117-N121 PolarHBondContact O-ND2 3.44Å; T118-N121 CarbonylContact O-C 3.55Å; T118-N121 WeakPolarHBondContact O-CA 3.4Å; T118-N121 WeakPolarHBondContact O-CB 3.32Å; T118-N121 PolarHBondContact O-N 2.9Å; G119-N121 VanDerWaalsContact C-N 3.29Å; G119-N121 PolarHBondContact O-N 2.95Å; N121-R124 PolarHBondContact O-N 2.82Å; N121-R124 PolarHBondContact OD1-NH1 2.85Å; N121-C125 PolarHBondContact O-N 3.04Å; N121-C125 PolarHBondContact O-SG 3.5Å; N121-C125 VanDerWaalsContact O-SG 3.32Å
122V85.9Confident84.1Confident70 Ų7084.7 Ų84.742%0.42442%0.418SS..Hα-helixtrans-60.6-47.4172.8170.20000110.1T118 G119 R124 C125 W126T118-V122 WeakPolarHBondContact O-CG2 3.24Å; T118-V122 PolarHBondContact O-N 3.48Å; G119-V122 WeakPolarHBondContact O-CB 3.34Å; G119-V122 PolarHBondContact O-N 3.14Å; V122-R124 VanDerWaalsContact C-N 3.3Å; V122-R124 PolarHBondContact O-N 3.28Å; V122-C125 WeakPolarHBondContact O-CB 3.49Å; V122-C125 PolarHBondContact O-N 3.38Å; V122-C125 VanDerWaalsContact O-N 3.13Å; V122-W126 VanDerWaalsContact O-CD1 3.26Å; V122-W126 PolarHBondContact O-N 3.11Å
123D87.1Confident84.7Confident114 Ų11481 Ų8161%0.6141%0.414SS*.Hα-helixtrans-59.3-40.3176-73.9-16.6000112.3G119 W126 K127G119-D123 PolarHBondContact O-N 3.38Å; D123-W126 PolarHBondContact O-N 3.03Å; D123-K127 WeakPolarHBondContact O-CB 3.24Å; D123-K127 PolarHBondContact O-N 3.14Å
124R84.8Confident85.2Confident149 Ų14982 Ų8256%0.56242%0.418SS*.Hα-helixtrans-64-42.1175.3-72.7169.7-166.6163.21.2111.9A120 N121 V122 K127 Y128A120-R124 VanDerWaalsContact O-CG 3.25Å; A120-R124 WeakPolarHBondContact O-CG 3.25Å; A120-R124 PolarHBondContact O-N 2.93Å; A120-R124 VanDerWaalsContact O-N 3.14Å; N121-R124 PolarHBondContact O-N 2.82Å; N121-R124 PolarHBondContact OD1-NH1 2.85Å; V122-R124 VanDerWaalsContact C-N 3.3Å; V122-R124 PolarHBondContact O-N 3.28Å; R124-K127 PolarHBondContact O-N 2.87Å; R124-Y128 PolarHBondContact O-N 3.09Å
125C86.1Confident85.6Confident78 Ų7876.5 Ų76.553%0.52740%0.396SS..Hα-helixtrans-60.9-46.3176-72.40000111N121 V122 Y128 I129N121-C125 PolarHBondContact O-N 3.04Å; N121-C125 PolarHBondContact O-SG 3.5Å; N121-C125 VanDerWaalsContact O-SG 3.32Å; V122-C125 WeakPolarHBondContact O-CB 3.49Å; V122-C125 PolarHBondContact O-N 3.38Å; V122-C125 VanDerWaalsContact O-N 3.13Å; C125-Y128 PolarHBondContact O-N 2.87Å; C125-I129 WeakPolarHBondContact O-CG1 3.33Å; C125-I129 PolarHBondContact O-N 3.07Å
126W90.2Very high85.8Confident104 Ų10476.1 Ų76.139%0.39439%0.393SS..Hα-helixtrans-63.4-42.3176.5-77.1117.6000112.6V94 A98 V122 D123 Y128 I129 S130V94-W126 HydrophobicContact CG1-CH2 4.37Å; V94-W126 HydrophobicContact CG1-CZ3 4.23Å; A98-W126 HydrophobicContact CB-CH2 3.9Å; A98-W126 HydrophobicContact CB-CZ2 3.97Å; V122-W126 VanDerWaalsContact O-CD1 3.26Å; V122-W126 PolarHBondContact O-N 3.11Å; D123-W126 PolarHBondContact O-N 3.03Å; W126-Y128 VanDerWaalsContact C-N 3.27Å; W126-Y128 PolarHBondContact O-N 3.5Å; W126-I129 HydrophobicContact CD2-CD1 4.42Å; W126-I129 HydrophobicContact CE3-CB 4.36Å; W126-I129 HydrophobicContact CE3-CD1 3.83Å; W126-I129 HydrophobicContact CE3-CG2 4.39Å; W126-I129 HydrophobicContact CZ3-CD1 3.94Å; W126-I129 HydrophobicContact CZ3-CG2 4.4Å; W126-I129 PolarHBondContact O-N 3.35Å; W126-I129 VanDerWaalsContact O-N 3.13Å; W126-S130 PolarHBondContact O-N 3.26Å; W126-S130 PolarHBondContact O-OG 3.44Å
127K88.4Confident86.1Confident143 Ų14373.3 Ų73.362%0.62238%0.38SS*.Hα-helixtrans-59.1-38.8174.2-173.2174.4-177174.70112.3D123 R124 S130 Q131D123-K127 WeakPolarHBondContact O-CB 3.24Å; D123-K127 PolarHBondContact O-N 3.14Å; R124-K127 PolarHBondContact O-N 2.87Å; K127-S130 PolarHBondContact O-N 3.37Å; K127-Q131 WeakPolarHBondContact O-CG 3.41Å; K127-Q131 PolarHBondContact O-N 3.08Å; K127-Q131 VanDerWaalsContact O-N 3.13Å
128Y86.5Confident86.4Confident73 Ų7370.9 Ų70.929%0.28637%0.368SS..Hα-helixtrans-68.1-41.6174.8179.3-114.7000112R124 C125 W126 S130 Q131 L132 L238R124-Y128 PolarHBondContact O-N 3.09Å; C125-Y128 PolarHBondContact O-N 2.87Å; W126-Y128 VanDerWaalsContact C-N 3.27Å; W126-Y128 PolarHBondContact O-N 3.5Å; Y128-S130 VanDerWaalsContact C-N 3.31Å; Y128-S130 PolarHBondContact O-N 3.17Å; Y128-Q131 WeakPolarHBondContact O-CB 3.11Å; Y128-Q131 PolarHBondContact O-N 3.32Å; Y128-Q131 VanDerWaalsContact O-N 3.15Å; Y128-L132 HydrophobicContact CD1-CD1 4.03Å; Y128-L132 HydrophobicContact CD1-CG 4.48Å; Y128-L132 HydrophobicContact CE1-CD1 3.55Å; Y128-L132 HydrophobicContact CE1-CG 4.09Å; Y128-L132 HydrophobicContact CE2-CD2 4.34Å; Y128-L132 HydrophobicContact CE2-CG 4.3Å; Y128-L132 WeakPolarHBondContact O-CG 3.39Å; Y128-L132 PolarHBondContact O-N 3.01Å; Y128-L238 HydrophobicContact CE2-CD2 3.83Å
129I87.3Confident86.4Confident72 Ų7270.5 Ų70.537%0.36936%0.364SS..Hα-helixtrans-59.5-41.7173.9-67.7167.2000110.9C125 W126 Q131 L132 S133C125-I129 WeakPolarHBondContact O-CG1 3.33Å; C125-I129 PolarHBondContact O-N 3.07Å; W126-I129 HydrophobicContact CD2-CD1 4.42Å; W126-I129 HydrophobicContact CE3-CB 4.36Å; W126-I129 HydrophobicContact CE3-CD1 3.83Å; W126-I129 HydrophobicContact CE3-CG2 4.39Å; W126-I129 HydrophobicContact CZ3-CD1 3.94Å; W126-I129 HydrophobicContact CZ3-CG2 4.4Å; W126-I129 PolarHBondContact O-N 3.35Å; W126-I129 VanDerWaalsContact O-N 3.13Å; I129-Q131 PolarHBondContact O-N 2.76Å; I129-L132 WeakPolarHBondContact O-CB 3.29Å; I129-L132 PolarHBondContact O-N 2.76Å; I129-S133 PolarHBondContact O-N 3.34Å
130S87.9Confident86.4Confident65 Ų6572.6 Ų72.646%0.45537%0.368SS..Hα-helixtrans-60.7-42.2174.4-56.80000112.1W126 K127 Y128 L132 S133 E134W126-S130 PolarHBondContact O-N 3.26Å; W126-S130 PolarHBondContact O-OG 3.44Å; K127-S130 PolarHBondContact O-N 3.37Å; Y128-S130 VanDerWaalsContact C-N 3.31Å; Y128-S130 PolarHBondContact O-N 3.17Å; S130-L132 VanDerWaalsContact C-N 3.33Å; S130-L132 PolarHBondContact O-N 3.15Å; S130-S133 WeakPolarHBondContact O-CB 3.43Å; S130-S133 PolarHBondContact O-N 3.19Å; S130-E134 PolarHBondContact O-N 3.1Å
131Q88Confident86.6Confident45 Ų4573.7 Ų73.721%0.2137%0.37CS..Hα-helixtrans-64-37.3175.1-70.2-179.34.200112.7K127 Y128 I129 S133 E134 A135 A236K127-Q131 WeakPolarHBondContact O-CG 3.41Å; K127-Q131 PolarHBondContact O-N 3.08Å; K127-Q131 VanDerWaalsContact O-N 3.13Å; Y128-Q131 WeakPolarHBondContact O-CB 3.11Å; Y128-Q131 PolarHBondContact O-N 3.32Å; Y128-Q131 VanDerWaalsContact O-N 3.15Å; I129-Q131 PolarHBondContact O-N 2.76Å; Q131-S133 VanDerWaalsContact C-N 3.34Å; Q131-E134 PolarHBondContact O-N 3.37Å; Q131-A135 PolarHBondContact O-N 3.06Å; Q131-A236 HydrophobicContact CB-CB 4.02Å
132L87.6Confident86.6Confident36 Ų3672.8 Ų72.819%0.18836%0.364CS..Hα-helixtrans-64.9-39.2173.9-70.8177.1000111.6Y128 I129 S130 A135 I136 A236 I284 C285Y128-L132 HydrophobicContact CD1-CD1 4.03Å; Y128-L132 HydrophobicContact CD1-CG 4.48Å; Y128-L132 HydrophobicContact CE1-CD1 3.55Å; Y128-L132 HydrophobicContact CE1-CG 4.09Å; Y128-L132 HydrophobicContact CE2-CD2 4.34Å; Y128-L132 HydrophobicContact CE2-CG 4.3Å; Y128-L132 WeakPolarHBondContact O-CG 3.39Å; Y128-L132 PolarHBondContact O-N 3.01Å; I129-L132 WeakPolarHBondContact O-CB 3.29Å; I129-L132 PolarHBondContact O-N 2.76Å; S130-L132 VanDerWaalsContact C-N 3.33Å; S130-L132 PolarHBondContact O-N 3.15Å; L132-A135 PolarHBondContact O-N 2.83Å; L132-I136 WeakPolarHBondContact O-CD1 3.33Å; L132-I136 VanDerWaalsContact O-CG1 3.27Å; L132-I136 WeakPolarHBondContact O-CG1 3.45Å; L132-I136 PolarHBondContact O-N 2.71Å; L132-A236 HydrophobicContact CD2-CB 4.48Å; L132-I284 HydrophobicContact CD2-CG2 4.07Å; L132-C285 VanDerWaalsContact CD2-SG 3.52Å
133S87.1Confident86.5Confident70 Ų7072.3 Ų72.349%0.4936%0.363SS..Hα-helixtrans-59.4-46.2173.7-175.70000111.7I129 S130 Q131 A135 I136 Q137I129-S133 PolarHBondContact O-N 3.34Å; S130-S133 WeakPolarHBondContact O-CB 3.43Å; S130-S133 PolarHBondContact O-N 3.19Å; Q131-S133 VanDerWaalsContact C-N 3.34Å; S133-A135 VanDerWaalsContact C-N 3.32Å; S133-A135 PolarHBondContact O-N 2.72Å; S133-I136 WeakPolarHBondContact O-CB 3.41Å; S133-I136 PolarHBondContact O-N 2.89Å; S133-Q137 PolarHBondContact O-N 3.12Å
134E87.6Confident86.4Confident85 Ų8572.3 Ų72.340%0.39736%0.359SS..Hα-helixtrans-62.1-39.1174.8-68.8179.2-151.800112.5S130 Q131 Q137 F138 R248S130-E134 PolarHBondContact O-N 3.1Å; Q131-E134 PolarHBondContact O-N 3.37Å; E134-Q137 PolarHBondContact O-N 3.45Å; E134-F138 WeakPolarHBondContact O-CB 3.37Å; E134-F138 PolarHBondContact O-N 3.25Å; E134-R248 IonicContact OE2-CZ 3.73Å; E134-R248 IonicContact OE2-NH1 2.69Å; E134-R248 PolarHBondContact OE2-NH1 2.89Å; E134-R248 IonicContact OE2-NH2 3.47Å
135A87.5Confident86.4Confident0 Ų068.2 Ų68.20%035%0.347CS..Hα-helixtrans-65.1-42.4175.500000111.5Q131 L132 S133 F138 H139 L235Q131-A135 PolarHBondContact O-N 3.06Å; L132-A135 PolarHBondContact O-N 2.83Å; S133-A135 VanDerWaalsContact C-N 3.32Å; S133-A135 PolarHBondContact O-N 2.72Å; A135-F138 WeakPolarHBondContact O-CB 3.36Å; A135-F138 PolarHBondContact O-N 3.31Å; A135-H139 PolarHBondContact O-CD2 3.38Å; A135-H139 PolarHBondContact O-N 3.36Å; A135-H139 VanDerWaalsContact O-N 3.09Å; A135-L235 HydrophobicContact CB-CB 3.93Å
136I85.7Confident86.4Confident48 Ų4867.1 Ų67.125%0.24633%0.332CS..Hα-helixtrans-57.5-50.7173.1-71.1159.5000110.1F87 L132 S133 F138 H139 I140 I284F87-I136 HydrophobicContact CE1-CG2 4.07Å; L132-I136 WeakPolarHBondContact O-CD1 3.33Å; L132-I136 VanDerWaalsContact O-CG1 3.27Å; L132-I136 WeakPolarHBondContact O-CG1 3.45Å; L132-I136 PolarHBondContact O-N 2.71Å; S133-I136 WeakPolarHBondContact O-CB 3.41Å; S133-I136 PolarHBondContact O-N 2.89Å; I136-F138 VanDerWaalsContact C-N 3.26Å; I136-F138 PolarHBondContact O-N 3.3Å; I136-H139 PolarHBondContact O-N 3.33Å; I136-I140 HydrophobicContact CG2-CD1 3.67Å; I136-I140 HydrophobicContact CG2-CG1 4.28Å; I136-I140 WeakPolarHBondContact O-CG1 3.26Å; I136-I140 PolarHBondContact O-N 3.31Å; I136-I284 HydrophobicContact CB-CD1 4.24Å; I136-I284 HydrophobicContact CD1-CD1 4.29Å; I136-I284 HydrophobicContact CG1-CD1 3.24Å; I136-I284 HydrophobicContact CG1-CG1 4.24Å
137Q85.9Confident86.1Confident117 Ų11765.6 Ų65.655%0.54733%0.329SS..Hα-helixtrans-58.9-38.8179.1-170.8-17813.600112.2S133 E134 I140 T141S133-Q137 PolarHBondContact O-N 3.12Å; E134-Q137 PolarHBondContact O-N 3.45Å; Q137-I140 PolarHBondContact O-N 3.22Å; Q137-T141 WeakPolarHBondContact O-CB 3.31Å; Q137-T141 PolarHBondContact O-N 3.48Å; Q137-T141 PolarHBondContact O-OG1 3.31Å
138F85.8Confident86Confident61 Ų6163.8 Ų63.827%0.26832%0.321SS..Hα-helixtrans-60-46.9173.9-177.8-89000111.7E134 A135 I136 T141 K142 L235 W287E134-F138 WeakPolarHBondContact O-CB 3.37Å; E134-F138 PolarHBondContact O-N 3.25Å; A135-F138 WeakPolarHBondContact O-CB 3.36Å; A135-F138 PolarHBondContact O-N 3.31Å; I136-F138 VanDerWaalsContact C-N 3.26Å; I136-F138 PolarHBondContact O-N 3.3Å; F138-T141 PolarHBondContact O-N 3.18Å; F138-K142 HydrophobicContact CD1-CG 4.33Å; F138-K142 HydrophobicContact CE1-CG 3.98Å; F138-K142 HydrophobicContact CZ-CG 4.18Å; F138-K142 VanDerWaalsContact O-CG 3.3Å; F138-K142 WeakPolarHBondContact O-CG 3.33Å; F138-K142 PolarHBondContact O-N 2.88Å; F138-K142 VanDerWaalsContact O-N 3.09Å; F138-L235 HydrophobicContact CD1-CD1 3.83Å; F138-L235 HydrophobicContact CD1-CD2 3.93Å; F138-L235 HydrophobicContact CE1-CD1 4.31Å; F138-L235 HydrophobicContact CE1-CD2 4.01Å; F138-L235 HydrophobicContact CG-CD2 4.26Å; F138-L235 HydrophobicContact CZ-CD2 4.4Å; F138-W287 HydrophobicContact CD1-CE3 4.22Å; F138-W287 HydrophobicContact CD1-CZ3 4.41Å; F138-W287 AromaticContact CE1-CD2 3.61Å; F138-W287 HydrophobicContact CE1-CD2 3.61Å; F138-W287 AromaticContact CE1-CE2 3.92Å; F138-W287 AromaticContact CE1-CE3 3.59Å; F138-W287 HydrophobicContact CE1-CE3 3.59Å; F138-W287 HydrophobicContact CE1-CG 4.09Å; F138-W287 HydrophobicContact CE1-CH2 4.16Å; F138-W287 HydrophobicContact CE1-CZ2 4.15Å; F138-W287 AromaticContact CE1-CZ3 3.9Å; F138-W287 HydrophobicContact CE1-CZ3 3.9Å; F138-W287 HydrophobicContact CZ-CD2 4.33Å
139H84.2Confident86.1Confident17 Ų1760.4 Ų60.48%0.07931%0.308CS..Hα-helixtrans-64.7-42177-69.6-63.7000112.5A135 I136 T141 K142 S143 R222 L235 I284 W287A135-H139 PolarHBondContact O-CD2 3.38Å; A135-H139 PolarHBondContact O-N 3.36Å; A135-H139 VanDerWaalsContact O-N 3.09Å; I136-H139 PolarHBondContact O-N 3.33Å; H139-T141 VanDerWaalsContact C-N 3.35Å; H139-T141 PolarHBondContact O-N 2.95Å; H139-K142 PolarHBondContact O-N 3.35Å; H139-S143 WeakPolarHBondContact O-CB 3.45Å; H139-S143 PolarHBondContact O-N 2.95Å; H139-S143 PolarHBondContact O-OG 3.35Å; H139-S143 VanDerWaalsContact O-OG 3.07Å; H139-R222 PolarHBondContact CE1-NH1 3.46Å; H139-R222 VanDerWaalsContact CE1-NH1 3.26Å; H139-R222 PolarHBondContact CE1-NH2 3.44Å; H139-R222 PolarHBondContact ND1-NH1 3.43Å; H139-R222 PolarHBondContact NE2-NH2 3.24Å; H139-L235 VanDerWaalsContact CE1-CD1 3.49Å; H139-L235 WeakPolarHBondContact CE1-CD1 3.46Å; H139-L235 WeakPolarHBondContact NE2-CD1 3.08Å; H139-I284 VanDerWaalsContact CD2-CG1 3.47Å; H139-I284 WeakPolarHBondContact CD2-CG1 3.45Å; H139-I284 PolarHBondContact NE2-O 3.5Å; H139-W287 AromaticContact CE1-CE3 3.67Å; H139-W287 AromaticContact ND1-CE3 3.74Å; H139-W287 AromaticContact ND1-CZ3 3.58Å
140I84.7Confident86.1Confident74 Ų7458.4 Ų58.438%0.37930%0.297SS..Hα-helixtrans-59.1-48.5176.9-65.8165000110.4F87 I136 Q137 K142 S143 H144F87-I140 HydrophobicContact CE1-CD1 3.46Å; F87-I140 VanDerWaalsContact CE1-CD1 3.46Å; F87-I140 HydrophobicContact CE1-CG1 4.38Å; F87-I140 HydrophobicContact CE2-CD1 4.12Å; F87-I140 HydrophobicContact CZ-CD1 3.21Å; F87-I140 HydrophobicContact CZ-CG1 3.77Å; I136-I140 HydrophobicContact CG2-CD1 3.67Å; I136-I140 HydrophobicContact CG2-CG1 4.28Å; I136-I140 WeakPolarHBondContact O-CG1 3.26Å; I136-I140 PolarHBondContact O-N 3.31Å; Q137-I140 PolarHBondContact O-N 3.22Å; I140-K142 PolarHBondContact O-N 3.18Å; I140-S143 PolarHBondContact O-N 3.12Å; I140-H144 WeakPolarHBondContact O-CB 3.44Å; I140-H144 PolarHBondContact O-N 3.33Å
141T85.5Confident86Confident64 Ų6459.9 Ų59.939%0.39330%0.296SS..Hα-helixtrans-56.7-43.6179.1-57.90000110.6Q137 F138 H139 H144 E145Q137-T141 WeakPolarHBondContact O-CB 3.31Å; Q137-T141 PolarHBondContact O-N 3.48Å; Q137-T141 PolarHBondContact O-OG1 3.31Å; F138-T141 PolarHBondContact O-N 3.18Å; H139-T141 VanDerWaalsContact C-N 3.35Å; H139-T141 PolarHBondContact O-N 2.95Å; T141-H144 PolarHBondContact O-N 2.89Å; T141-E145 WeakPolarHBondContact O-CG 3.46Å; T141-E145 PolarHBondContact O-N 3.16Å
142K85.1Confident86.1Confident44 Ų4460 Ų6019%0.19130%0.297CS..Hα-helixtrans-71.6-39.2180-69.7-69.4163-138.20112.9F138 H139 I140 H144 E145 Y146 I219 W287F138-K142 HydrophobicContact CD1-CG 4.33Å; F138-K142 HydrophobicContact CE1-CG 3.98Å; F138-K142 HydrophobicContact CZ-CG 4.18Å; F138-K142 VanDerWaalsContact O-CG 3.3Å; F138-K142 WeakPolarHBondContact O-CG 3.33Å; F138-K142 PolarHBondContact O-N 2.88Å; F138-K142 VanDerWaalsContact O-N 3.09Å; H139-K142 PolarHBondContact O-N 3.35Å; I140-K142 PolarHBondContact O-N 3.18Å; K142-H144 VanDerWaalsContact C-N 3.34Å; K142-E145 IonicContact NZ-OE1 2.98Å; K142-E145 PolarHBondContact NZ-OE1 3.19Å; K142-E145 IonicContact NZ-OE2 3.6Å; K142-E145 PolarHBondContact NZ-OE2 3.06Å; K142-E145 PolarHBondContact O-N 2.89Å; K142-Y146 WeakPolarHBondContact O-CB 3.46Å; K142-Y146 PolarHBondContact O-N 3.47Å; K142-I219 HydrophobicContact CB-CD1 3.91Å; K142-I219 HydrophobicContact CB-CG1 4.31Å; K142-I219 WeakPolarHBondContact O-CD1 3.42Å; K142-W287 HydrophobicContact CB-CH2 3.55Å; K142-W287 HydrophobicContact CB-CZ2 4.37Å; K142-W287 HydrophobicContact CB-CZ3 4.17Å; K142-W287 HydrophobicContact CD-CH2 4.07Å; K142-W287 HydrophobicContact CD-CZ2 4.05Å; K142-W287 HydrophobicContact CG-CH2 3.56Å; K142-W287 HydrophobicContact CG-CZ2 3.97Å; K142-W287 HydrophobicContact CG-CZ3 4.25Å
143S83.3Confident86.2Confident60 Ų6058.2 Ų58.242%0.4229%0.288SS..Hα-helixtrans-62-40.9172.8-66.10000112H139 I140 Y146 H147H139-S143 WeakPolarHBondContact O-CB 3.45Å; H139-S143 PolarHBondContact O-N 2.95Å; H139-S143 PolarHBondContact O-OG 3.35Å; H139-S143 VanDerWaalsContact O-OG 3.07Å; I140-S143 PolarHBondContact O-N 3.12Å; S143-Y146 PolarHBondContact O-N 2.98Å; S143-H147 WeakPolarHBondContact O-CB 3.43Å; S143-H147 PolarHBondContact O-N 3.26Å
144H85.2Confident86.1Confident113 Ų11361.2 Ų61.252%0.52329%0.289SS..Hα-helixtrans-61.6-49.2173.1162.2-119000111.7I140 T141 K142 Y146 H147 K148I140-H144 WeakPolarHBondContact O-CB 3.44Å; I140-H144 PolarHBondContact O-N 3.33Å; T141-H144 PolarHBondContact O-N 2.89Å; K142-H144 VanDerWaalsContact C-N 3.34Å; H144-Y146 VanDerWaalsContact C-N 3.29Å; H144-Y146 PolarHBondContact O-N 2.84Å; H144-H147 PolarHBondContact O-N 3.16Å; H144-K148 VanDerWaalsContact O-CB 3.3Å; H144-K148 WeakPolarHBondContact O-CB 3.45Å; H144-K148 PolarHBondContact O-N 3.38Å
145E85.6Confident86.2Confident64 Ų6459.2 Ų59.230%0.29929%0.286SS..Hα-helixtrans-54.4-48.9175.8-74.7173.4-158.500110.7T141 K142 K148 F149 M216T141-E145 WeakPolarHBondContact O-CG 3.46Å; T141-E145 PolarHBondContact O-N 3.16Å; K142-E145 IonicContact NZ-OE1 2.98Å; K142-E145 PolarHBondContact NZ-OE1 3.19Å; K142-E145 IonicContact NZ-OE2 3.6Å; K142-E145 PolarHBondContact NZ-OE2 3.06Å; K142-E145 PolarHBondContact O-N 2.89Å; E145-K148 PolarHBondContact O-N 2.95Å; E145-F149 PolarHBondContact O-N 3.48Å; E145-M216 HydrophobicContact CB-CE 3.79Å; E145-M216 WeakPolarHBondContact O-CE 3.26Å
146Y84.9Confident86.3Confident54 Ų5459.2 Ų59.221%0.21229%0.286CS..Hα-helixtrans-59.8-49.9-179.9170-96.6000112.7K142 S143 H144 K148 F149 H150 I219 F220 T321K142-Y146 WeakPolarHBondContact O-CB 3.46Å; K142-Y146 PolarHBondContact O-N 3.47Å; S143-Y146 PolarHBondContact O-N 2.98Å; H144-Y146 VanDerWaalsContact C-N 3.29Å; H144-Y146 PolarHBondContact O-N 2.84Å; Y146-K148 VanDerWaalsContact C-N 3.33Å; Y146-K148 PolarHBondContact O-N 3.38Å; Y146-F149 PolarHBondContact O-N 2.81Å; Y146-H150 AromaticContact CD2-CD2 3.92Å; Y146-H150 AromaticContact CE2-CD2 3.39Å; Y146-H150 WeakPolarHBondContact CE2-CD2 3.47Å; Y146-H150 AromaticContact CE2-NE2 3.14Å; Y146-H150 WeakPolarHBondContact CE2-NE2 3.14Å; Y146-H150 AromaticContact CZ-CD2 3.44Å; Y146-H150 VanDerWaalsContact CZ-CD2 3.44Å; Y146-H150 AromaticContact CZ-NE2 3.31Å; Y146-H150 VanDerWaalsContact CZ-NE2 3.31Å; Y146-H150 PolarHBondContact O-CD2 3.09Å; Y146-H150 PolarHBondContact O-N 2.94Å; Y146-H150 VanDerWaalsContact O-N 3.12Å; Y146-H150 PolarHBondContact OH-NE2 2.93Å; Y146-I219 VanDerWaalsContact CB-CD1 3.48Å; Y146-I219 HydrophobicContact CD1-CG2 4.49Å; Y146-I219 HydrophobicContact CD2-CD1 4.45Å; Y146-I219 HydrophobicContact CG-CD1 4.15Å; Y146-I219 HydrophobicContact CG-CG2 4.29Å; Y146-F220 HydrophobicContact CD2-CE2 4.33Å; Y146-F220 AromaticContact CE2-CD2 3.88Å; Y146-F220 HydrophobicContact CE2-CD2 3.88Å; Y146-F220 HydrophobicContact CE2-CE1 4.06Å; Y146-F220 AromaticContact CE2-CE2 3.29Å; Y146-F220 HydrophobicContact CE2-CE2 3.29Å; Y146-F220 AromaticContact CE2-CZ 3.37Å; Y146-F220 HydrophobicContact CE2-CZ 3.37Å; Y146-F220 AromaticContact CZ-CE1 3.83Å; Y146-F220 AromaticContact CZ-CE2 3.92Å; Y146-F220 AromaticContact CZ-CZ 3.48Å; Y146-F220 VanDerWaalsContact CZ-CZ 3.48Å; Y146-F220 WeakPolarHBondContact OH-CE1 3.25Å; Y146-F220 WeakPolarHBondContact OH-CZ 3.31Å; Y146-T321 HydrophobicContact CE2-CG2 4.39Å
147H83.8Confident86.5Confident73 Ų7358.4 Ų58.434%0.33828%0.28SS..Hα-helixtrans-59.1-46177.1176.8-110.2000111.3Y76 S143 H144 F149 H150 H151Y76-H147 AromaticContact CZ-CE1 3.78Å; Y76-H147 AromaticContact CZ-NE2 3.72Å; Y76-H147 PolarHBondContact OH-CE1 3.46Å; Y76-H147 PolarHBondContact OH-NE2 3.47Å; S143-H147 WeakPolarHBondContact O-CB 3.43Å; S143-H147 PolarHBondContact O-N 3.26Å; H144-H147 PolarHBondContact O-N 3.16Å; H147-F149 VanDerWaalsContact C-N 3.34Å; H147-F149 PolarHBondContact O-N 3.29Å; H147-H150 PolarHBondContact O-N 2.76Å; H147-H151 WeakPolarHBondContact O-CB 3.34Å; H147-H151 PolarHBondContact O-N 3.38Å
148K87.7Confident86.5Confident105 Ų10557.5 Ų57.546%0.45728%0.277SS..Hα-helixtrans-59.1-42.6177.3-178.1173.1-179.31720112.3H144 E145 Y146 H151 E152H144-K148 VanDerWaalsContact O-CB 3.3Å; H144-K148 WeakPolarHBondContact O-CB 3.45Å; H144-K148 PolarHBondContact O-N 3.38Å; E145-K148 PolarHBondContact O-N 2.95Å; Y146-K148 VanDerWaalsContact C-N 3.33Å; Y146-K148 PolarHBondContact O-N 3.38Å; K148-H151 PolarHBondContact O-N 2.96Å; K148-E152 WeakPolarHBondContact CE-OE1 3.28Å; K148-E152 HydrophobicContact CG-CG 4.39Å; K148-E152 WeakPolarHBondContact O-CB 3.38Å; K148-E152 VanDerWaalsContact O-CG 3.3Å; K148-E152 WeakPolarHBondContact O-CG 3.13Å; K148-E152 PolarHBondContact O-N 3Å
149F88.7Confident86.6Confident2 Ų256.4 Ų56.41%0.00927%0.273CS..Hα-helixtrans-61.4-44.3176162.6-95.6000112.6E145 Y146 H147 E152 I153 F209 K212 M216 T321E145-F149 PolarHBondContact O-N 3.48Å; Y146-F149 PolarHBondContact O-N 2.81Å; H147-F149 VanDerWaalsContact C-N 3.34Å; H147-F149 PolarHBondContact O-N 3.29Å; F149-E152 PolarHBondContact O-N 3.27Å; F149-I153 HydrophobicContact CD1-CD1 4.31Å; F149-I153 HydrophobicContact CD2-CD1 4.25Å; F149-I153 HydrophobicContact CE1-CD1 3.67Å; F149-I153 HydrophobicContact CE2-CD1 3.61Å; F149-I153 HydrophobicContact CE2-CG1 4.39Å; F149-I153 HydrophobicContact CZ-CD1 3.29Å; F149-I153 HydrophobicContact CZ-CG1 4.46Å; F149-I153 WeakPolarHBondContact O-CG1 3.46Å; F149-I153 PolarHBondContact O-N 3.17Å; F149-I153 VanDerWaalsContact O-N 3.08Å; F149-F209 HydrophobicContact CE2-CB 4.19Å; F149-F209 HydrophobicContact CE2-CD1 4.44Å; F149-K212 HydrophobicContact CD2-CB 3.82Å; F149-K212 HydrophobicContact CD2-CD 4.23Å; F149-K212 HydrophobicContact CE2-CB 4.02Å; F149-M216 HydrophobicContact CB-CE 3.47Å; F149-M216 VanDerWaalsContact CB-CE 3.47Å; F149-M216 HydrophobicContact CB-SD 3.29Å; F149-M216 WeakPolarHBondContact CB-SD 3.36Å; F149-M216 HydrophobicContact CD1-SD 3.64Å; F149-M216 HydrophobicContact CD2-SD 3.9Å; F149-M216 HydrophobicContact CE1-SD 4.4Å; F149-M216 HydrophobicContact CG-CE 4.18Å; F149-M216 HydrophobicContact CG-SD 3.34Å; F149-M216 WeakPolarHBondContact CG-SD 3.4Å; F149-T321 HydrophobicContact CD1-CG2 4.23Å; F149-T321 HydrophobicContact CE1-CG2 3.65Å; F149-T321 HydrophobicContact CZ-CG2 4.32Å
150H86.1Confident86.9Confident29 Ų2955.9 Ų55.913%0.13427%0.27CS..Hα-helixtrans-64-43.9176-84.2-93.3000111.4Y146 H147 E152 I153 W154 F220Y146-H150 AromaticContact CD2-CD2 3.92Å; Y146-H150 AromaticContact CE2-CD2 3.39Å; Y146-H150 WeakPolarHBondContact CE2-CD2 3.47Å; Y146-H150 AromaticContact CE2-NE2 3.14Å; Y146-H150 WeakPolarHBondContact CE2-NE2 3.14Å; Y146-H150 AromaticContact CZ-CD2 3.44Å; Y146-H150 VanDerWaalsContact CZ-CD2 3.44Å; Y146-H150 AromaticContact CZ-NE2 3.31Å; Y146-H150 VanDerWaalsContact CZ-NE2 3.31Å; Y146-H150 PolarHBondContact O-CD2 3.09Å; Y146-H150 PolarHBondContact O-N 2.94Å; Y146-H150 VanDerWaalsContact O-N 3.12Å; Y146-H150 PolarHBondContact OH-NE2 2.93Å; H147-H150 PolarHBondContact O-N 2.76Å; H150-E152 PolarHBondContact O-N 3.01Å; H150-I153 PolarHBondContact O-N 3.39Å; H150-W154 PolarHBondContact O-N 3.43Å; H150-F220 AromaticContact NE2-CZ 3.73Å
151H85.9Confident87Confident96 Ų9657.6 Ų57.644%0.44428%0.277SS..Hα-helixtrans-58.5-46.1175.7-176.189.9000111.9Y76 H147 K148 I153 W154 A155Y76-H151 PolarHBondContact OH-ND1 3.48Å; H147-H151 WeakPolarHBondContact O-CB 3.34Å; H147-H151 PolarHBondContact O-N 3.38Å; K148-H151 PolarHBondContact O-N 2.96Å; H151-I153 VanDerWaalsContact C-N 3.33Å; H151-I153 PolarHBondContact O-N 2.89Å; H151-W154 PolarHBondContact O-N 3.37Å; H151-A155 WeakPolarHBondContact O-CB 3.48Å; H151-A155 PolarHBondContact O-N 3.34Å
152E89.4Confident86.9Confident47 Ų4758.5 Ų58.522%0.2228%0.276CS..Hα-helixtrans-60.6-39.2177.2-74.6174.1-171.700112.6K148 F149 H150 A156 F209 K212K148-E152 WeakPolarHBondContact CE-OE1 3.28Å; K148-E152 HydrophobicContact CG-CG 4.39Å; K148-E152 WeakPolarHBondContact O-CB 3.38Å; K148-E152 VanDerWaalsContact O-CG 3.3Å; K148-E152 WeakPolarHBondContact O-CG 3.13Å; K148-E152 PolarHBondContact O-N 3Å; F149-E152 PolarHBondContact O-N 3.27Å; H150-E152 PolarHBondContact O-N 3.01Å; E152-A156 WeakPolarHBondContact O-CB 3.38Å; E152-A156 PolarHBondContact O-N 3.06Å; E152-F209 HydrophobicContact CB-CE1 3.84Å; E152-F209 HydrophobicContact CB-CZ 4.21Å; E152-K212 IonicContact OE1-NZ 2.72Å; E152-K212 PolarHBondContact OE1-NZ 2.91Å; E152-K212 IonicContact OE2-NZ 3.03Å; E152-K212 PolarHBondContact OE2-NZ 3.23Å
153I89.6Confident86.9Confident0 Ų056.8 Ų56.80%027%0.27CS..Hα-helixtrans-67.2-44.3175.5-71.1179.2000110.8F149 H150 H151 A156 R157 F209 V324 F328F149-I153 HydrophobicContact CD1-CD1 4.31Å; F149-I153 HydrophobicContact CD2-CD1 4.25Å; F149-I153 HydrophobicContact CE1-CD1 3.67Å; F149-I153 HydrophobicContact CE2-CD1 3.61Å; F149-I153 HydrophobicContact CE2-CG1 4.39Å; F149-I153 HydrophobicContact CZ-CD1 3.29Å; F149-I153 HydrophobicContact CZ-CG1 4.46Å; F149-I153 WeakPolarHBondContact O-CG1 3.46Å; F149-I153 PolarHBondContact O-N 3.17Å; F149-I153 VanDerWaalsContact O-N 3.08Å; H150-I153 PolarHBondContact O-N 3.39Å; H151-I153 VanDerWaalsContact C-N 3.33Å; H151-I153 PolarHBondContact O-N 2.89Å; I153-A156 PolarHBondContact O-N 3.44Å; I153-R157 WeakPolarHBondContact O-CG 3.47Å; I153-R157 PolarHBondContact O-N 3.49Å; I153-F209 HydrophobicContact CD1-CB 4.42Å; I153-F209 HydrophobicContact CD1-CD2 4.49Å; I153-F209 HydrophobicContact CD1-CG 4.29Å; I153-F209 HydrophobicContact CG1-CD1 4Å; I153-F209 HydrophobicContact CG1-CD2 3.83Å; I153-F209 HydrophobicContact CG1-CE1 4.08Å; I153-F209 HydrophobicContact CG1-CE2 3.9Å; I153-F209 HydrophobicContact CG1-CG 3.88Å; I153-F209 HydrophobicContact CG1-CZ 4.03Å; I153-V324 HydrophobicContact CD1-CG1 3.88Å; I153-V324 HydrophobicContact CG2-CG1 3.95Å; I153-F328 HydrophobicContact CG2-CB 4.2Å; I153-F328 HydrophobicContact CG2-CD2 4.4Å; I153-F328 HydrophobicContact CG2-CG 4.4Å
154W86.8Confident87Confident133 Ų13356.9 Ų56.950%0.50427%0.265SS..Hα-helixtrans-64.5-41.4178.5-74.5120.1000111.9H150 H151 A156 R157 M158H150-W154 PolarHBondContact O-N 3.43Å; H151-W154 PolarHBondContact O-N 3.37Å; W154-A156 VanDerWaalsContact C-N 3.33Å; W154-A156 PolarHBondContact O-N 3.44Å; W154-R157 VanDerWaalsContact CH2-NH1 3.35Å; W154-R157 WeakPolarHBondContact O-CB 3.33Å; W154-R157 PolarHBondContact O-N 3.41Å; W154-R157 VanDerWaalsContact O-N 3.13Å; W154-M158 WeakPolarHBondContact O-CG 3.33Å; W154-M158 PolarHBondContact O-N 3.16Å
155A87.9Confident86.9Confident42 Ų4253.2 Ų53.235%0.34725%0.252SS..Hα-helixtrans-58.2-46.2172.300000111.2H151 R157 M158 E159H151-A155 WeakPolarHBondContact O-CB 3.48Å; H151-A155 PolarHBondContact O-N 3.34Å; A155-R157 VanDerWaalsContact C-N 3.3Å; A155-R157 PolarHBondContact O-N 3.02Å; A155-M158 WeakPolarHBondContact O-CB 3.41Å; A155-M158 PolarHBondContact O-N 3.09Å; A155-M158 VanDerWaalsContact O-N 3.14Å; A155-E159 WeakPolarHBondContact O-CG 3.41Å; A155-E159 PolarHBondContact O-N 3.07Å
156A90.7Very high86.7Confident0 Ų051.9 Ų51.90%025%0.25CS..Hα-helixtrans-64.1-33.3176.200000112.9E152 I153 W154 E159 I160 L202 F209 F328E152-A156 WeakPolarHBondContact O-CB 3.38Å; E152-A156 PolarHBondContact O-N 3.06Å; I153-A156 PolarHBondContact O-N 3.44Å; W154-A156 VanDerWaalsContact C-N 3.33Å; W154-A156 PolarHBondContact O-N 3.44Å; A156-E159 PolarHBondContact O-N 3.48Å; A156-I160 WeakPolarHBondContact O-CG1 3.36Å; A156-I160 PolarHBondContact O-N 2.96Å; A156-L202 HydrophobicContact CB-CD2 4.1Å; A156-F209 HydrophobicContact CB-CE2 3.99Å; A156-F209 HydrophobicContact CB-CZ 4.15Å; A156-F328 HydrophobicContact CB-CE2 3.58Å; A156-F328 HydrophobicContact CB-CZ 3.68Å
157R89.2Confident86.7Confident32 Ų3249.9 Ų49.912%0.12124%0.242CC..Hα-helixtrans-67.1-38.8172-77.3179.7152.1179.3-10.8112.3I153 W154 A155 E159 I160 Q161 F328 D331I153-R157 WeakPolarHBondContact O-CG 3.47Å; I153-R157 PolarHBondContact O-N 3.49Å; W154-R157 VanDerWaalsContact CH2-NH1 3.35Å; W154-R157 WeakPolarHBondContact O-CB 3.33Å; W154-R157 PolarHBondContact O-N 3.41Å; W154-R157 VanDerWaalsContact O-N 3.13Å; A155-R157 VanDerWaalsContact C-N 3.3Å; A155-R157 PolarHBondContact O-N 3.02Å; R157-E159 VanDerWaalsContact C-N 3.32Å; R157-I160 WeakPolarHBondContact O-CB 3.34Å; R157-I160 PolarHBondContact O-N 3.01Å; R157-I160 VanDerWaalsContact O-N 3.16Å; R157-Q161 PolarHBondContact O-N 2.95Å; R157-F328 HydrophobicContact CG-CD2 3.65Å; R157-F328 HydrophobicContact CG-CE2 4.21Å; R157-D331 IonicContact CZ-OD2 2.69Å; R157-D331 VanDerWaalsContact CZ-OD2 3.29Å; R157-D331 IonicContact NE-OD2 2.67Å; R157-D331 PolarHBondContact NE-OD2 3.5Å; R157-D331 IonicContact NH2-OD2 3.1Å; R157-D331 PolarHBondContact NH2-OD2 3.5Å
158M86Confident86.4Confident97 Ų9750 Ų5048%0.47825%0.251SS..Hα-helixtrans-63.5-40.3174.5-71.3-63.4167.600111.1W154 A155 I160 Q161 Q162W154-M158 WeakPolarHBondContact O-CG 3.33Å; W154-M158 PolarHBondContact O-N 3.16Å; A155-M158 WeakPolarHBondContact O-CB 3.41Å; A155-M158 PolarHBondContact O-N 3.09Å; A155-M158 VanDerWaalsContact O-N 3.14Å; M158-I160 VanDerWaalsContact C-N 3.29Å; M158-I160 PolarHBondContact O-N 2.82Å; M158-Q161 PolarHBondContact O-N 3.49Å; M158-Q161 VanDerWaalsContact O-N 3.1Å; M158-Q161 PolarHBondContact SD-OE1 3.38Å; M158-Q162 WeakPolarHBondContact O-CG 3.41Å; M158-Q162 PolarHBondContact O-N 3.43Å
159E88.5Confident85.9Confident39 Ų3949.2 Ų49.218%0.18225%0.252CS..Hα-helixtrans-57.5-41.6171.8-64.3-177.2-129.500111.7A155 A156 R157 Q162 V163 R201 L202 K205A155-E159 WeakPolarHBondContact O-CG 3.41Å; A155-E159 PolarHBondContact O-N 3.07Å; A156-E159 PolarHBondContact O-N 3.48Å; R157-E159 VanDerWaalsContact C-N 3.32Å; E159-Q162 PolarHBondContact O-N 3.06Å; E159-V163 WeakPolarHBondContact O-CG2 3.45Å; E159-V163 PolarHBondContact O-N 3.41Å; E159-R201 IonicContact OE1-NH1 2.77Å; E159-R201 PolarHBondContact OE1-NH1 2.72Å; E159-R201 IonicContact OE2-CZ 3.93Å; E159-R201 IonicContact OE2-NH1 3.86Å; E159-R201 PolarHBondContact OE2-NH1 3.23Å; E159-R201 IonicContact OE2-NH2 3.85Å; E159-R201 PolarHBondContact OE2-NH2 3.49Å; E159-L202 HydrophobicContact CB-CD2 4.35Å; E159-K205 IonicContact OE1-NZ 3.79Å; E159-K205 PolarHBondContact OE1-NZ 3.21Å
160I89.5Confident85.4Confident5 Ų549.7 Ų49.73%0.02625%0.254CS..Hα-helixtrans-63.8-41.4175.3-66.2168000111.2A156 R157 M158 V163 L164 L202 F328 L332A156-I160 WeakPolarHBondContact O-CG1 3.36Å; A156-I160 PolarHBondContact O-N 2.96Å; R157-I160 WeakPolarHBondContact O-CB 3.34Å; R157-I160 PolarHBondContact O-N 3.01Å; R157-I160 VanDerWaalsContact O-N 3.16Å; M158-I160 VanDerWaalsContact C-N 3.29Å; M158-I160 PolarHBondContact O-N 2.82Å; I160-V163 PolarHBondContact O-N 2.76Å; I160-L164 HydrophobicContact CG2-CD1 4.05Å; I160-L164 HydrophobicContact CG2-CG 4.47Å; I160-L164 WeakPolarHBondContact O-CG 3.49Å; I160-L164 PolarHBondContact O-N 2.85Å; I160-L202 HydrophobicContact CG1-CD1 3.74Å; I160-F328 HydrophobicContact CD1-CD2 4.06Å; I160-F328 HydrophobicContact CD1-CE2 3.47Å; I160-F328 VanDerWaalsContact CD1-CE2 3.47Å; I160-F328 HydrophobicContact CD1-CZ 4.13Å; I160-L332 HydrophobicContact CD1-CB 3.99Å; I160-L332 HydrophobicContact CD1-CD1 4Å; I160-L332 HydrophobicContact CG1-CD1 4.25Å
161Q86.9Confident85Confident110 Ų11052.9 Ų52.951%0.51427%0.269SS..Hα-helixtrans-66.4-41.2178.5-73.8-176.4-15.300111.9R157 M158 V163 L164 S165R157-Q161 PolarHBondContact O-N 2.95Å; M158-Q161 PolarHBondContact O-N 3.49Å; M158-Q161 VanDerWaalsContact O-N 3.1Å; M158-Q161 PolarHBondContact SD-OE1 3.38Å; Q161-V163 VanDerWaalsContact C-N 3.29Å; Q161-V163 PolarHBondContact O-N 2.96Å; Q161-L164 PolarHBondContact O-N 3.09Å; Q161-S165 WeakPolarHBondContact O-CB 3.41Å; Q161-S165 PolarHBondContact O-N 3.5Å; Q161-S165 PolarHBondContact O-OG 2.97Å
162Q84.4Confident84.6Confident83 Ų8355 Ų5539%0.38828%0.279SS..Hα-helixtrans-60.3-39.3173.9-72.6173.1-3.100111.9M158 E159 S165 S166M158-Q162 WeakPolarHBondContact O-CG 3.41Å; M158-Q162 PolarHBondContact O-N 3.43Å; E159-Q162 PolarHBondContact O-N 3.06Å; Q162-S165 WeakPolarHBondContact CA-OG 3.45Å; Q162-S165 PolarHBondContact O-OG 3.38Å; Q162-S166 PolarHBondContact O-N 2.93Å; Q162-S166 VanDerWaalsContact O-N 3.1Å
163V85.9Confident84Confident9 Ų959.4 Ų59.46%0.05530%0.298CS..Hα-helixtrans-65.2-47.3173.2164.70000111.1E159 I160 Q161 S165 S166 Y167 I198 Y199E159-V163 WeakPolarHBondContact O-CG2 3.45Å; E159-V163 PolarHBondContact O-N 3.41Å; I160-V163 PolarHBondContact O-N 2.76Å; Q161-V163 VanDerWaalsContact C-N 3.29Å; Q161-V163 PolarHBondContact O-N 2.96Å; V163-S165 VanDerWaalsContact C-N 3.29Å; V163-S165 PolarHBondContact O-N 3.24Å; V163-S166 WeakPolarHBondContact O-CB 3.36Å; V163-S166 PolarHBondContact O-N 3.41Å; V163-S166 PolarHBondContact O-OG 3.21Å; V163-Y167 HydrophobicContact CG1-CE1 3.88Å; V163-Y167 HydrophobicContact CG1-CE2 4.33Å; V163-Y167 WeakPolarHBondContact CG1-OH 3.48Å; V163-Y167 WeakPolarHBondContact O-CD1 3.24Å; V163-Y167 WeakPolarHBondContact O-CE1 3.35Å; V163-I198 HydrophobicContact CG2-CD1 4.07Å; V163-I198 HydrophobicContact CG2-CG2 3.84Å; V163-Y199 HydrophobicContact CG1-CE2 4.15Å; V163-Y199 WeakPolarHBondContact CG1-OH 3.17Å
164L85.5Confident83.4Confident61 Ų6160.1 Ų60.132%0.31930%0.301SS..Hα-helixtrans-61-38.5179.5-78.5168.8000112.8I160 Q161 Y167 S335 I338I160-L164 HydrophobicContact CG2-CD1 4.05Å; I160-L164 HydrophobicContact CG2-CG 4.47Å; I160-L164 WeakPolarHBondContact O-CG 3.49Å; I160-L164 PolarHBondContact O-N 2.85Å; Q161-L164 PolarHBondContact O-N 3.09Å; L164-Y167 HydrophobicContact CD2-CD2 3.96Å; L164-Y167 HydrophobicContact CD2-CE2 3.79Å; L164-Y167 VanDerWaalsContact O-CB 3.24Å; L164-Y167 WeakPolarHBondContact O-CB 3.35Å; L164-Y167 PolarHBondContact O-N 3.35Å; L164-S335 WeakPolarHBondContact CD2-OG 3.45Å; L164-S335 WeakPolarHBondContact CG-OG 2.83Å; L164-I338 HydrophobicContact CD2-CD1 4.08Å; L164-I338 HydrophobicContact CD2-CG2 4.44Å
165S81.7Confident82.5Confident36 Ų3656 Ų5625%0.25230%0.3SS..Hα-helixtrans-76.1-26.2-179.860.70000112.3Q161 Q162 V163 Y167 S168 I1341Q161-S165 WeakPolarHBondContact O-CB 3.41Å; Q161-S165 PolarHBondContact O-N 3.5Å; Q161-S165 PolarHBondContact O-OG 2.97Å; Q162-S165 WeakPolarHBondContact CA-OG 3.45Å; Q162-S165 PolarHBondContact O-OG 3.38Å; V163-S165 VanDerWaalsContact C-N 3.29Å; V163-S165 PolarHBondContact O-N 3.24Å; S165-Y167 PolarHBondContact O-N 3.27Å; S165-S168 PolarHBondContact O-OG 3Å; S165-I1341 WeakPolarHBondContact OG-CD1 3.28Å
166S82Confident81.6Confident37 Ų3758.5 Ų58.526%0.25932%0.315SS..Hα-helixtrans-60.4-26.2168.679.70000112.3Q162 V163 S168 L169 I170Q162-S166 PolarHBondContact O-N 2.93Å; Q162-S166 VanDerWaalsContact O-N 3.1Å; V163-S166 WeakPolarHBondContact O-CB 3.36Å; V163-S166 PolarHBondContact O-N 3.41Å; V163-S166 PolarHBondContact O-OG 3.21Å; S166-S168 VanDerWaalsContact C-N 3.32Å; S166-S168 PolarHBondContact O-N 3.27Å; S166-L169 WeakPolarHBondContact O-CB 3.41Å; S166-L169 PolarHBondContact O-N 3Å; S166-L169 VanDerWaalsContact O-N 3.13Å; S166-I170 WeakPolarHBondContact O-CG1 3.5Å; S166-I170 PolarHBondContact O-N 2.86Å
167Y83.7Confident80.6Confident12 Ų1262 Ų625%0.04733%0.334CS..Hα-helixtrans-64-30.5-176.2-63.3-17.4000114.7V163 L164 S165 I170 Q171 Y199 I338 A339 L342V163-Y167 HydrophobicContact CG1-CE1 3.88Å; V163-Y167 HydrophobicContact CG1-CE2 4.33Å; V163-Y167 WeakPolarHBondContact CG1-OH 3.48Å; V163-Y167 WeakPolarHBondContact O-CD1 3.24Å; V163-Y167 WeakPolarHBondContact O-CE1 3.35Å; L164-Y167 HydrophobicContact CD2-CD2 3.96Å; L164-Y167 HydrophobicContact CD2-CE2 3.79Å; L164-Y167 VanDerWaalsContact O-CB 3.24Å; L164-Y167 WeakPolarHBondContact O-CB 3.35Å; L164-Y167 PolarHBondContact O-N 3.35Å; S165-Y167 PolarHBondContact O-N 3.27Å; Y167-I170 HydrophobicContact CD1-CD1 3.95Å; Y167-I170 HydrophobicContact CE1-CD1 4.44Å; Y167-I170 PolarHBondContact O-N 3.42Å; Y167-Q171 WeakPolarHBondContact O-CB 3.34Å; Y167-Q171 PolarHBondContact O-N 2.77Å; Y167-Y199 WeakPolarHBondContact OH-CE2 3.4Å; Y167-Y199 PolarHBondContact OH-OH 2.69Å; Y167-I338 HydrophobicContact CD2-CG2 3.94Å; Y167-I338 HydrophobicContact CE2-CG2 4.11Å; Y167-A339 HydrophobicContact CE1-CB 4.38Å; Y167-A339 HydrophobicContact CE2-CB 4.09Å; Y167-A339 WeakPolarHBondContact OH-CB 3.43Å; Y167-L342 HydrophobicContact CD1-CD2 3.81Å; Y167-L342 HydrophobicContact CD2-CD2 4.49Å; Y167-L342 HydrophobicContact CG-CD2 3.75Å
168S78.5Confident79.6Confident75 Ų7565.4 Ų65.452%0.52436%0.362SS..Hα-helixtrans-64.2-44.4173.954.40000111.1S165 S166 I170 Q171 E172S165-S168 PolarHBondContact O-OG 3Å; S166-S168 VanDerWaalsContact C-N 3.32Å; S166-S168 PolarHBondContact O-N 3.27Å; S168-I170 PolarHBondContact O-N 3.03Å; S168-Q171 PolarHBondContact O-N 2.89Å; S168-E172 PolarHBondContact O-N 3.35Å
169L77.6Confident79Confident88 Ų8864.1 Ų64.146%0.46136%0.357SS..Hα-helixtrans-63.7-41.6177.5-173.271.6000111.7S166 Q171 E172 K173S166-L169 WeakPolarHBondContact O-CB 3.41Å; S166-L169 PolarHBondContact O-N 3Å; S166-L169 VanDerWaalsContact O-N 3.13Å; L169-Q171 VanDerWaalsContact C-N 3.33Å; L169-E172 PolarHBondContact O-N 3.11Å; L169-K173 HydrophobicContact CG-CD 4.3Å; L169-K173 WeakPolarHBondContact O-CB 3.3Å; L169-K173 WeakPolarHBondContact O-CG 3.22Å; L169-K173 PolarHBondContact O-N 3.14Å
170I78Confident78.4Confident12 Ų1263 Ų636%0.06235%0.352CS..Hα-helixtrans-59.7-47174.6-61-176.5000110S166 Y167 S168 E172 K173 L174 M191 L342 F343 I346S166-I170 WeakPolarHBondContact O-CG1 3.5Å; S166-I170 PolarHBondContact O-N 2.86Å; Y167-I170 HydrophobicContact CD1-CD1 3.95Å; Y167-I170 HydrophobicContact CE1-CD1 4.44Å; Y167-I170 PolarHBondContact O-N 3.42Å; S168-I170 PolarHBondContact O-N 3.03Å; I170-E172 VanDerWaalsContact C-N 3.35Å; I170-E172 PolarHBondContact O-N 3.14Å; I170-K173 PolarHBondContact O-N 3.18Å; I170-L174 HydrophobicContact CG2-CD1 4.12Å; I170-L174 WeakPolarHBondContact O-CB 3.43Å; I170-L174 PolarHBondContact O-N 2.91Å; I170-M191 HydrophobicContact CB-CE 3.91Å; I170-M191 HydrophobicContact CD1-CE 3.37Å; I170-M191 HydrophobicContact CG1-CE 3.25Å; I170-M191 HydrophobicContact CG2-CE 3.59Å; I170-L342 HydrophobicContact CB-CD2 4.32Å; I170-L342 HydrophobicContact CG2-CD2 4.1Å; I170-F343 HydrophobicContact CD1-CZ 4.24Å; I170-F343 HydrophobicContact CG2-CE1 4.37Å; I170-I346 HydrophobicContact CG2-CD1 3.71Å
171Q78.5Confident78Confident96 Ų9667 Ų6745%0.44938%0.377SS..Hα-helixtrans-66.9-35.3-178.3-170.1177.1-19.300112.4Y167 S168 L169 G175 L342Y167-Q171 WeakPolarHBondContact O-CB 3.34Å; Y167-Q171 PolarHBondContact O-N 2.77Å; S168-Q171 PolarHBondContact O-N 2.89Å; L169-Q171 VanDerWaalsContact C-N 3.33Å; Q171-G175 WeakPolarHBondContact O-CA 3.37Å; Q171-G175 PolarHBondContact O-N 3.41Å; Q171-L342 HydrophobicContact CB-CD1 4.22Å; Q171-L342 HydrophobicContact CG-CD1 4.44Å
172E77.2Confident77.7Confident142 Ų14265.1 Ų65.166%0.66437%0.37SS*.Hα-helixtrans-68.6-48176.3-173.9178.8177.100111.8S168 L169 I170 S176S168-E172 PolarHBondContact O-N 3.35Å; L169-E172 PolarHBondContact O-N 3.11Å; I170-E172 VanDerWaalsContact C-N 3.35Å; I170-E172 PolarHBondContact O-N 3.14Å; E172-S176 PolarHBondContact O-OG 3.13Å
173K75.5Confident77.6Confident138 Ų13868.5 Ų68.560%0.639%0.386SS*.Hα-helixtrans-69.4-41.7-177.6-72.2-174.5176.4-1740113.6L169 I170L169-K173 HydrophobicContact CG-CD 4.3Å; L169-K173 WeakPolarHBondContact O-CB 3.3Å; L169-K173 WeakPolarHBondContact O-CG 3.22Å; L169-K173 PolarHBondContact O-N 3.14Å; I170-K173 PolarHBondContact O-N 3.18Å
174L76.7Confident77.5Confident15 Ų1568.6 Ų68.68%0.07939%0.388CS..Hα-helixtrans-109.5-25.7-171-67.2162.6000113.2I170 S176 L177 L180 A184 V188 M191 I346I170-L174 HydrophobicContact CG2-CD1 4.12Å; I170-L174 WeakPolarHBondContact O-CB 3.43Å; I170-L174 PolarHBondContact O-N 2.91Å; L174-S176 VanDerWaalsContact C-N 3.28Å; L174-S176 PolarHBondContact O-N 3.11Å; L174-L177 HydrophobicContact CD2-CD1 4.11Å; L174-L177 PolarHBondContact O-N 2.88Å; L174-L180 HydrophobicContact CD2-CD2 4.28Å; L174-A184 HydrophobicContact CD2-CB 4.28Å; L174-V188 HydrophobicContact CD1-CG2 3.72Å; L174-V188 HydrophobicContact CD2-CG2 4.14Å; L174-V188 HydrophobicContact CG-CG2 4.48Å; L174-M191 HydrophobicContact CD1-CE 3.94Å; L174-M191 HydrophobicContact CD1-SD 3.85Å; L174-I346 HydrophobicContact CB-CD1 4.45Å; L174-I346 HydrophobicContact CB-CG2 4.2Å
175G68.8Low77.5Confident47 Ų4765.9 Ų65.949%0.48537%0.373SS..Hα-helixtrans-76.3-13.7-179.200000114.3Q171Q171-G175 WeakPolarHBondContact O-CA 3.37Å; Q171-G175 PolarHBondContact O-N 3.41Å
176S68.6Low77.7Confident94 Ų9467.6 Ų67.666%0.65738%0.378SS*.THydrogen-bonded Turntrans-82.3-16.8173.553.60000113.1E172 L174 S178E172-S176 PolarHBondContact O-OG 3.13Å; L174-S176 VanDerWaalsContact C-N 3.28Å; L174-S176 PolarHBondContact O-N 3.11Å; S176-S178 PolarHBondContact O-N 3.26Å
177L69.1Low78Confident75 Ų7568.8 Ų68.839%0.39338%0.383SS..  trans-76124.8178-60.2175.9000109.8L174 L179 L180 A184L174-L177 HydrophobicContact CD2-CD1 4.11Å; L174-L177 PolarHBondContact O-N 2.88Å; L177-L179 VanDerWaalsContact C-N 3.35Å; L177-L180 HydrophobicContact CB-CD2 4.36Å; L177-L180 HydrophobicContact CD1-CD2 4.02Å; L177-A184 HydrophobicContact CD1-CB 4.22Å
178S68.5Low78.1Confident102 Ų10268.2 Ų68.271%0.71338%0.381SS*.SBendtrans-69.4-35.2176.957.80000112.3S176S176-S178 PolarHBondContact O-N 3.26Å
179L74.3Confident78.7Confident71 Ų7167.4 Ų67.437%0.37237%0.367SS..SBendtrans-140.6139.2173.4-63.9173.5000108.4L177 S353L177-L179 VanDerWaalsContact C-N 3.35Å; L179-S353 WeakPolarHBondContact CD2-OG 3.32Å
180L76.5Confident79.2Confident15 Ų1566 Ų668%0.07936%0.362CS..  trans-78.7132.2177.2-60.1170000109.7L174 L177 A184 L185 V188 I346 L347 T350L174-L180 HydrophobicContact CD2-CD2 4.28Å; L177-L180 HydrophobicContact CB-CD2 4.36Å; L177-L180 HydrophobicContact CD1-CD2 4.02Å; L180-A184 HydrophobicContact CB-CB 4.32Å; L180-A184 HydrophobicContact CD2-CB 4.17Å; L180-L185 HydrophobicContact CB-CD2 3.95Å; L180-L185 HydrophobicContact CB-CG 3.91Å; L180-L185 HydrophobicContact CD1-CD2 3.73Å; L180-V188 HydrophobicContact CD1-CG2 4.42Å; L180-I346 HydrophobicContact CD1-CG2 4.06Å; L180-I346 HydrophobicContact CD2-CG2 4.29Å; L180-L347 HydrophobicContact CD1-CD2 3.9Å; L180-T350 HydrophobicContact CB-CG2 4.38Å; L180-T350 WeakPolarHBondContact CB-OG1 2.99Å; L180-T350 WeakPolarHBondContact CG-OG1 3.49Å; L180-T350 PolarHBondContact N-OG1 3.47Å
181T80.9Confident79.8Confident88 Ų8867.5 Ų67.554%0.5437%0.369SS..  trans-74.4165.3166.457.30000110.2E183 A184 L185T181-E183 PolarHBondContact O-N 3.35Å; T181-A184 CarbonylContact O-C 3.44Å; T181-A184 WeakPolarHBondContact O-CB 2.98Å; T181-A184 PolarHBondContact O-N 3.2Å; T181-A184 VanDerWaalsContact O-N 3.09Å; T181-A184 WeakPolarHBondContact OG1-CB 3.42Å; T181-A184 PolarHBondContact OG1-N 3.13Å; T181-L185 WeakPolarHBondContact O-CG 3.05Å; T181-L185 PolarHBondContact O-N 3.19Å
182D79.3Confident80.3Confident71 Ų7162.9 Ų62.938%0.3835%0.347SS..Hα-helixtrans-52.4-50.7173.5-79.2-1.2000111.8A184 L185 E186 Q419D182-A184 VanDerWaalsContact C-N 3.3Å; D182-A184 PolarHBondContact O-N 3.02Å; D182-L185 WeakPolarHBondContact O-CB 3.37Å; D182-L185 PolarHBondContact O-N 2.9Å; D182-E186 PolarHBondContact O-N 2.91Å; D182-Q419 PolarHBondContact O-OE1 3.34Å
183E82.6Confident81.1Confident155 Ų15560 Ų6072%0.72433%0.334SS*.Hα-helixtrans-58.4-39175.5-173-179.3-179.100113.1T181 T187T181-E183 PolarHBondContact O-N 3.35Å; E183-T187 WeakPolarHBondContact O-CB 3.4Å; E183-T187 PolarHBondContact O-N 3.14Å; E183-T187 PolarHBondContact O-OG1 3.11Å
184A84.4Confident81.8Confident10 Ų1057.3 Ų57.38%0.08333%0.329CS..Hα-helixtrans-70-3417600000112.1L174 L177 L180 T181 D182 T187 V188L174-A184 HydrophobicContact CD2-CB 4.28Å; L177-A184 HydrophobicContact CD1-CB 4.22Å; L180-A184 HydrophobicContact CB-CB 4.32Å; L180-A184 HydrophobicContact CD2-CB 4.17Å; T181-A184 CarbonylContact O-C 3.44Å; T181-A184 WeakPolarHBondContact O-CB 2.98Å; T181-A184 PolarHBondContact O-N 3.2Å; T181-A184 VanDerWaalsContact O-N 3.09Å; T181-A184 WeakPolarHBondContact OG1-CB 3.42Å; T181-A184 PolarHBondContact OG1-N 3.13Å; D182-A184 VanDerWaalsContact C-N 3.3Å; D182-A184 PolarHBondContact O-N 3.02Å; A184-T187 PolarHBondContact O-N 3.47Å; A184-V188 VanDerWaalsContact O-CG2 3.25Å; A184-V188 WeakPolarHBondContact O-CG2 3.49Å; A184-V188 PolarHBondContact O-N 3.31Å
185L85.5Confident82.5Confident4 Ų457.3 Ų57.32%0.02133%0.328CS..Hα-helixtrans-66.6-40.5175.5-76.1169.3000111.9L180 T181 D182 V188 R189 L347 Q419 L420 T423L180-L185 HydrophobicContact CB-CD2 3.95Å; L180-L185 HydrophobicContact CB-CG 3.91Å; L180-L185 HydrophobicContact CD1-CD2 3.73Å; T181-L185 WeakPolarHBondContact O-CG 3.05Å; T181-L185 PolarHBondContact O-N 3.19Å; D182-L185 WeakPolarHBondContact O-CB 3.37Å; D182-L185 PolarHBondContact O-N 2.9Å; L185-V188 PolarHBondContact O-N 2.69Å; L185-R189 WeakPolarHBondContact O-CB 3.35Å; L185-R189 PolarHBondContact O-N 3.42Å; L185-L347 HydrophobicContact CD2-CD2 4.01Å; L185-Q419 HydrophobicContact CB-CB 4.47Å; L185-Q419 HydrophobicContact CD1-CB 4.47Å; L185-L420 HydrophobicContact CD1-CB 4Å; L185-L420 HydrophobicContact CD1-CD1 4.28Å; L185-L420 HydrophobicContact CD2-CD1 3.8Å; L185-T423 HydrophobicContact CD2-CG2 4.46Å; L185-T423 PolarHBondContact O-OG1 2.73Å
186E86.3Confident83.6Confident73 Ų7356.4 Ų56.434%0.34131%0.313SS..Hα-helixtrans-67.4-39.1173.9-172.656.3-149.600111.2D182 V188 R189 T190D182-E186 PolarHBondContact O-N 2.91Å; E186-V188 PolarHBondContact O-N 3.2Å; E186-R189 WeakPolarHBondContact O-CB 3.35Å; E186-R189 PolarHBondContact O-N 3.17Å; E186-R189 IonicContact OE2-NH1 2.91Å; E186-T190 WeakPolarHBondContact O-CG2 3.4Å; E186-T190 PolarHBondContact O-N 3.4Å; E186-T190 PolarHBondContact O-OG1 2.97Å; E186-T190 VanDerWaalsContact O-OG1 3.14Å
187T86.6Confident84.7Confident61 Ų6155.6 Ų55.637%0.37431%0.307SS..Hα-helixtrans-61.1-45172.5-56.90000111.4E183 A184 R189 T190 M191E183-T187 WeakPolarHBondContact O-CB 3.4Å; E183-T187 PolarHBondContact O-N 3.14Å; E183-T187 PolarHBondContact O-OG1 3.11Å; A184-T187 PolarHBondContact O-N 3.47Å; T187-R189 VanDerWaalsContact C-N 3.33Å; T187-R189 PolarHBondContact O-N 2.75Å; T187-T190 PolarHBondContact O-N 3.3Å; T187-T190 PolarHBondContact O-OG1 3.04Å; T187-M191 HydrophobicContact CG2-SD 3.77Å; T187-M191 WeakPolarHBondContact O-CB 3.45Å; T187-M191 WeakPolarHBondContact O-CG 3.24Å; T187-M191 PolarHBondContact O-N 3.48Å; T187-M191 VanDerWaalsContact O-SD 3.42Å
188V87.6Confident85.8Confident0 Ų053.8 Ų53.80%030%0.297CS..Hα-helixtrans-62-42175.2170.40000111.1L174 L180 A184 L185 E186 M191 I192 F343 I346 L347 T423L174-V188 HydrophobicContact CD1-CG2 3.72Å; L174-V188 HydrophobicContact CD2-CG2 4.14Å; L174-V188 HydrophobicContact CG-CG2 4.48Å; L180-V188 HydrophobicContact CD1-CG2 4.42Å; A184-V188 VanDerWaalsContact O-CG2 3.25Å; A184-V188 WeakPolarHBondContact O-CG2 3.49Å; A184-V188 PolarHBondContact O-N 3.31Å; L185-V188 PolarHBondContact O-N 2.69Å; E186-V188 PolarHBondContact O-N 3.2Å; V188-M191 PolarHBondContact O-N 3.37Å; V188-I192 HydrophobicContact CG1-CD1 3.8Å; V188-I192 HydrophobicContact CG1-CG1 4.38Å; V188-I192 VanDerWaalsContact O-CG1 3.29Å; V188-I192 WeakPolarHBondContact O-CG1 2.95Å; V188-I192 PolarHBondContact O-N 2.92Å; V188-F343 HydrophobicContact CG1-CD1 4.19Å; V188-I346 HydrophobicContact CG2-CG2 4.2Å; V188-L347 HydrophobicContact CG1-CD2 4.1Å; V188-L347 HydrophobicContact CG1-CG 4.48Å; V188-T423 HydrophobicContact CB-CG2 4.18Å; V188-T423 HydrophobicContact CG1-CG2 3.78Å
189R89.3Confident87Confident59 Ų5948.9 Ų48.922%0.22326%0.263CS..Hα-helixtrans-58.8-54.6177.7-179.1-167.2176.7163.49.6111.4L185 E186 T187 M191 I192 E193 E422 T423 T426L185-R189 WeakPolarHBondContact O-CB 3.35Å; L185-R189 PolarHBondContact O-N 3.42Å; E186-R189 WeakPolarHBondContact O-CB 3.35Å; E186-R189 PolarHBondContact O-N 3.17Å; E186-R189 IonicContact OE2-NH1 2.91Å; T187-R189 VanDerWaalsContact C-N 3.33Å; T187-R189 PolarHBondContact O-N 2.75Å; R189-M191 PolarHBondContact O-N 3.23Å; R189-I192 PolarHBondContact O-N 3.11Å; R189-E193 IonicContact CZ-OE1 2.77Å; R189-E193 IonicContact NE-OE1 3.39Å; R189-E193 PolarHBondContact NE-OE1 3.06Å; R189-E193 IonicContact NH2-OE1 3.99Å; R189-E193 WeakPolarHBondContact O-CG 3.42Å; R189-E193 PolarHBondContact O-N 3.03Å; R189-E422 IonicContact NH2-OE2 3.88Å; R189-T423 HydrophobicContact CB-CG2 4.22Å; R189-T426 HydrophobicContact CG-CG2 4.18Å
190T89.7Confident87.8Confident58 Ų5848 Ų4836%0.35626%0.261SS..Hα-helixtrans-59.8-34.9179.854.30000111.9E186 T187 E193 T194E186-T190 WeakPolarHBondContact O-CG2 3.4Å; E186-T190 PolarHBondContact O-N 3.4Å; E186-T190 PolarHBondContact O-OG1 2.97Å; E186-T190 VanDerWaalsContact O-OG1 3.14Å; T187-T190 PolarHBondContact O-N 3.3Å; T187-T190 PolarHBondContact O-OG1 3.04Å; T190-E193 PolarHBondContact O-N 2.96Å; T190-T194 WeakPolarHBondContact O-CB 2.81Å; T190-T194 PolarHBondContact O-N 3.13Å; T190-T194 PolarHBondContact O-OG1 2.91Å
191M89Confident88.6Confident43 Ų4352.1 Ų52.121%0.21228%0.275CS..Hα-helixtrans-66.4-43.3173.4-69.4166.367.700112.2I170 L174 T187 V188 R189 T194 Q195 F343I170-M191 HydrophobicContact CB-CE 3.91Å; I170-M191 HydrophobicContact CD1-CE 3.37Å; I170-M191 HydrophobicContact CG1-CE 3.25Å; I170-M191 HydrophobicContact CG2-CE 3.59Å; L174-M191 HydrophobicContact CD1-CE 3.94Å; L174-M191 HydrophobicContact CD1-SD 3.85Å; T187-M191 HydrophobicContact CG2-SD 3.77Å; T187-M191 WeakPolarHBondContact O-CB 3.45Å; T187-M191 WeakPolarHBondContact O-CG 3.24Å; T187-M191 PolarHBondContact O-N 3.48Å; T187-M191 VanDerWaalsContact O-SD 3.42Å; V188-M191 PolarHBondContact O-N 3.37Å; R189-M191 PolarHBondContact O-N 3.23Å; M191-T194 PolarHBondContact O-N 3.3Å; M191-Q195 WeakPolarHBondContact O-CB 3.39Å; M191-Q195 VanDerWaalsContact O-CG 3.24Å; M191-Q195 WeakPolarHBondContact O-CG 3.31Å; M191-Q195 PolarHBondContact O-N 3.17Å; M191-F343 HydrophobicContact CB-CE1 4.24Å; M191-F343 HydrophobicContact CB-CZ 4.31Å
192I90.7Very high89.2Confident0 Ų047.9 Ų47.90%025%0.249CC..Hα-helixtrans-62.4-44.3175.2-65.9164.3000110.6V188 R189 T194 Q195 L196 F343 T423 T426 W427 F430V188-I192 HydrophobicContact CG1-CD1 3.8Å; V188-I192 HydrophobicContact CG1-CG1 4.38Å; V188-I192 VanDerWaalsContact O-CG1 3.29Å; V188-I192 WeakPolarHBondContact O-CG1 2.95Å; V188-I192 PolarHBondContact O-N 2.92Å; R189-I192 PolarHBondContact O-N 3.11Å; I192-T194 VanDerWaalsContact C-N 3.34Å; I192-T194 PolarHBondContact O-N 3.23Å; I192-Q195 PolarHBondContact O-N 3.48Å; I192-L196 VanDerWaalsContact O-CB 3.31Å; I192-L196 WeakPolarHBondContact O-CB 3.38Å; I192-L196 PolarHBondContact O-N 3.22Å; I192-F343 HydrophobicContact CD1-CB 4.26Å; I192-F343 HydrophobicContact CD1-CD1 4.2Å; I192-F343 HydrophobicContact CD1-CG 4.16Å; I192-F343 HydrophobicContact CG1-CB 4.29Å; I192-F343 HydrophobicContact CG1-CD1 3.7Å; I192-F343 HydrophobicContact CG1-CD2 3.86Å; I192-F343 HydrophobicContact CG1-CE1 3.9Å; I192-F343 HydrophobicContact CG1-CE2 4.06Å; I192-F343 HydrophobicContact CG1-CG 3.69Å; I192-F343 HydrophobicContact CG1-CZ 4.08Å; I192-T423 HydrophobicContact CD1-CG2 4.4Å; I192-T426 HydrophobicContact CB-CG2 4.11Å; I192-T426 HydrophobicContact CG2-CG2 3.79Å; I192-W427 HydrophobicContact CD1-CB 4.12Å; I192-F430 HydrophobicContact CG2-CB 3.78Å; I192-F430 HydrophobicContact CG2-CD1 4.19Å; I192-F430 HydrophobicContact CG2-CG 3.96Å
193E92.5Very high89.8Confident81 Ų8145.3 Ų45.338%0.37924%0.237SC..Hα-helixtrans-62-42178.2-69.8175.5178.400111.7R189 T190 L196 S197 T426R189-E193 IonicContact CZ-OE1 2.77Å; R189-E193 IonicContact NE-OE1 3.39Å; R189-E193 PolarHBondContact NE-OE1 3.06Å; R189-E193 IonicContact NH2-OE1 3.99Å; R189-E193 WeakPolarHBondContact O-CG 3.42Å; R189-E193 PolarHBondContact O-N 3.03Å; T190-E193 PolarHBondContact O-N 2.96Å; E193-L196 PolarHBondContact O-N 3.22Å; E193-S197 PolarHBondContact O-N 3.25Å; E193-T426 HydrophobicContact CG-CG2 3.64Å
194T90.7Very high90.1Very high82 Ų8242.5 Ų42.550%0.50323%0.226SC..Hα-helixtrans-61.8-47.1175.2-57.70000111.1T190 M191 I192 S197 I198T190-T194 WeakPolarHBondContact O-CB 2.81Å; T190-T194 PolarHBondContact O-N 3.13Å; T190-T194 PolarHBondContact O-OG1 2.91Å; M191-T194 PolarHBondContact O-N 3.3Å; I192-T194 VanDerWaalsContact C-N 3.34Å; I192-T194 PolarHBondContact O-N 3.23Å; T194-S197 WeakPolarHBondContact O-CB 3.3Å; T194-S197 PolarHBondContact O-N 3.46Å; T194-I198 HydrophobicContact CG2-CD1 4.2Å; T194-I198 WeakPolarHBondContact O-CG1 3.38Å; T194-I198 PolarHBondContact O-N 2.93Å; T194-I198 VanDerWaalsContact O-N 3.11Å
195Q90.7Very high90.3Very high14 Ų1444.7 Ų44.77%0.06523%0.234CC..Hα-helixtrans-63.6-42.5177.3-68.9-61.8-1700111.8M191 I192 S197 I198 Y199 F343 F430M191-Q195 WeakPolarHBondContact O-CB 3.39Å; M191-Q195 VanDerWaalsContact O-CG 3.24Å; M191-Q195 WeakPolarHBondContact O-CG 3.31Å; M191-Q195 PolarHBondContact O-N 3.17Å; I192-Q195 PolarHBondContact O-N 3.48Å; Q195-S197 VanDerWaalsContact C-N 3.32Å; Q195-S197 PolarHBondContact O-N 2.92Å; Q195-I198 PolarHBondContact O-N 3.46Å; Q195-Y199 HydrophobicContact CB-CD2 4.38Å; Q195-Y199 HydrophobicContact CB-CE2 4.4Å; Q195-Y199 WeakPolarHBondContact O-CD2 3.28Å; Q195-Y199 PolarHBondContact O-N 2.95Å; Q195-F343 HydrophobicContact CB-CE2 4.44Å; Q195-F343 HydrophobicContact CG-CE2 4.07Å; Q195-F343 HydrophobicContact CG-CZ 4.12Å; Q195-F430 HydrophobicContact CB-CE2 4.44Å; Q195-F430 HydrophobicContact CB-CZ 4.3Å
196L92.2Very high90.4Very high29 Ų2944.8 Ų44.815%0.15223%0.234CC..Hα-helixtrans-58.3-43.8175.6175.660.3000111.6I192 E193 T200 W336 I429 F430 K433I192-L196 VanDerWaalsContact O-CB 3.31Å; I192-L196 WeakPolarHBondContact O-CB 3.38Å; I192-L196 PolarHBondContact O-N 3.22Å; E193-L196 PolarHBondContact O-N 3.22Å; L196-T200 VanDerWaalsContact O-CB 3.25Å; L196-T200 WeakPolarHBondContact O-CB 3.45Å; L196-T200 PolarHBondContact O-N 3.5Å; L196-T200 PolarHBondContact O-OG1 2.94Å; L196-W336 HydrophobicContact CD1-CZ2 4.23Å; L196-I429 HydrophobicContact CD2-CG2 4.1Å; L196-F430 HydrophobicContact CB-CD2 3.76Å; L196-F430 HydrophobicContact CB-CE2 4.16Å; L196-F430 HydrophobicContact CD1-CD2 3.84Å; L196-F430 HydrophobicContact CD1-CE2 4.49Å; L196-F430 HydrophobicContact CG-CD2 4.32Å; L196-K433 HydrophobicContact CD1-CB 3.76Å; L196-K433 HydrophobicContact CD1-CG 3.93Å
197S93Very high90.3Very high77 Ų7746.7 Ų46.754%0.53824%0.242SC..Hα-helixtrans-59.8-46.8176.4-179.20000111.8E193 T194 Q195 T200 R201E193-S197 PolarHBondContact O-N 3.25Å; T194-S197 WeakPolarHBondContact O-CB 3.3Å; T194-S197 PolarHBondContact O-N 3.46Å; Q195-S197 VanDerWaalsContact C-N 3.32Å; Q195-S197 PolarHBondContact O-N 2.92Å; S197-T200 PolarHBondContact O-N 2.59Å; S197-R201 WeakPolarHBondContact O-CB 3.32Å; S197-R201 PolarHBondContact O-N 2.85Å
198I91.5Very high90.4Very high36 Ų3649.1 Ų49.119%0.18525%0.249CC..Hα-helixtrans-62.2-51.3178.6-63.6164.6000111V163 T194 Q195 T200 R201 L202V163-I198 HydrophobicContact CG2-CD1 4.07Å; V163-I198 HydrophobicContact CG2-CG2 3.84Å; T194-I198 HydrophobicContact CG2-CD1 4.2Å; T194-I198 WeakPolarHBondContact O-CG1 3.38Å; T194-I198 PolarHBondContact O-N 2.93Å; T194-I198 VanDerWaalsContact O-N 3.11Å; Q195-I198 PolarHBondContact O-N 3.46Å; I198-T200 VanDerWaalsContact C-N 3.35Å; I198-T200 PolarHBondContact O-N 2.89Å; I198-R201 PolarHBondContact O-N 3.28Å; I198-L202 HydrophobicContact CG2-CD1 3.83Å; I198-L202 HydrophobicContact CG2-CG 4.4Å; I198-L202 WeakPolarHBondContact O-CG 3.33Å; I198-L202 PolarHBondContact O-N 3.24Å
199Y94.2Very high90.4Very high0 Ų049.3 Ų49.30%025%0.25CC..Hα-helixtrans-64.2-37.7-179.3-77.7-62.4000113V163 Y167 Q195 L202 S203 L332 S335 W336 A339 F430V163-Y199 HydrophobicContact CG1-CE2 4.15Å; V163-Y199 WeakPolarHBondContact CG1-OH 3.17Å; Y167-Y199 WeakPolarHBondContact OH-CE2 3.4Å; Y167-Y199 PolarHBondContact OH-OH 2.69Å; Q195-Y199 HydrophobicContact CB-CD2 4.38Å; Q195-Y199 HydrophobicContact CB-CE2 4.4Å; Q195-Y199 WeakPolarHBondContact O-CD2 3.28Å; Q195-Y199 PolarHBondContact O-N 2.95Å; Y199-L202 PolarHBondContact O-N 3.34Å; Y199-S203 VanDerWaalsContact O-CB 3.3Å; Y199-S203 WeakPolarHBondContact O-CB 3.47Å; Y199-S203 PolarHBondContact O-N 3.32Å; Y199-L332 HydrophobicContact CD1-CD1 3.73Å; Y199-L332 HydrophobicContact CE1-CD1 4.18Å; Y199-S335 PolarHBondContact OH-O 3.26Å; Y199-S335 VanDerWaalsContact OH-O 3.13Å; Y199-S335 PolarHBondContact OH-OG 3.47Å; Y199-W336 HydrophobicContact CD1-CB 3.77Å; Y199-W336 HydrophobicContact CD1-CD2 4.15Å; Y199-W336 HydrophobicContact CD1-CE3 4.39Å; Y199-W336 AromaticContact CD1-CG 3.91Å; Y199-W336 HydrophobicContact CD1-CG 3.91Å; Y199-W336 HydrophobicContact CD2-CB 4.45Å; Y199-W336 AromaticContact CD2-CD1 3.86Å; Y199-W336 HydrophobicContact CD2-CD2 4.4Å; Y199-W336 HydrophobicContact CD2-CG 4.02Å; Y199-W336 HydrophobicContact CE1-CB 3.73Å; Y199-W336 HydrophobicContact CE1-CG 4.26Å; Y199-W336 HydrophobicContact CE2-CB 4.41Å; Y199-W336 HydrophobicContact CE2-CG 4.35Å; Y199-W336 HydrophobicContact CG-CB 4.16Å; Y199-W336 AromaticContact CG-CD2 3.86Å; Y199-W336 HydrophobicContact CG-CD2 3.86Å; Y199-W336 HydrophobicContact CG-CE3 4.32Å; Y199-W336 AromaticContact CG-CG 3.79Å; Y199-W336 HydrophobicContact CG-CG 3.79Å; Y199-W336 PolarHBondContact OH-N 2.94Å; Y199-A339 HydrophobicContact CE2-CB 3.88Å; Y199-F430 AromaticContact CD2-CE2 3.89Å; Y199-F430 HydrophobicContact CD2-CE2 3.89Å; Y199-F430 AromaticContact CD2-CZ 3.91Å; Y199-F430 HydrophobicContact CD2-CZ 3.91Å; Y199-F430 HydrophobicContact CE2-CZ 4.11Å
200T91.7Very high90.2Very high53 Ų5349.7 Ų49.733%0.32526%0.256SS..Hα-helixtrans-64.2-44.6176.7-57.30000110.7L196 S197 I198 S203 L204L196-T200 VanDerWaalsContact O-CB 3.25Å; L196-T200 WeakPolarHBondContact O-CB 3.45Å; L196-T200 PolarHBondContact O-N 3.5Å; L196-T200 PolarHBondContact O-OG1 2.94Å; S197-T200 PolarHBondContact O-N 2.59Å; I198-T200 VanDerWaalsContact C-N 3.35Å; I198-T200 PolarHBondContact O-N 2.89Å; T200-S203 WeakPolarHBondContact O-CB 3.43Å; T200-S203 PolarHBondContact O-N 2.71Å; T200-L204 WeakPolarHBondContact O-CG 3.25Å; T200-L204 PolarHBondContact O-N 3.13Å
201R93.3Very high89.8Confident100 Ų10049.8 Ų49.838%0.37726%0.262SS..Hα-helixtrans-62.2-44.2175.9-177.8175.456.173.36.7112.1E159 S197 I198 S203 L204 K205E159-R201 IonicContact OE1-NH1 2.77Å; E159-R201 PolarHBondContact OE1-NH1 2.72Å; E159-R201 IonicContact OE2-CZ 3.93Å; E159-R201 IonicContact OE2-NH1 3.86Å; E159-R201 PolarHBondContact OE2-NH1 3.23Å; E159-R201 IonicContact OE2-NH2 3.85Å; E159-R201 PolarHBondContact OE2-NH2 3.49Å; S197-R201 WeakPolarHBondContact O-CB 3.32Å; S197-R201 PolarHBondContact O-N 2.85Å; I198-R201 PolarHBondContact O-N 3.28Å; R201-S203 VanDerWaalsContact C-N 3.34Å; R201-L204 PolarHBondContact O-N 3.33Å; R201-K205 PolarHBondContact O-N 2.98Å
202L92.8Very high89.6Confident0 Ų051.2 Ų51.20%027%0.267CS..Hα-helixtrans-67.1-34177-69.2172.4000112.6A156 E159 I160 I198 Y199 L204 K205 T206 L332A156-L202 HydrophobicContact CB-CD2 4.1Å; E159-L202 HydrophobicContact CB-CD2 4.35Å; I160-L202 HydrophobicContact CG1-CD1 3.74Å; I198-L202 HydrophobicContact CG2-CD1 3.83Å; I198-L202 HydrophobicContact CG2-CG 4.4Å; I198-L202 WeakPolarHBondContact O-CG 3.33Å; I198-L202 PolarHBondContact O-N 3.24Å; Y199-L202 PolarHBondContact O-N 3.34Å; L202-L204 VanDerWaalsContact C-N 3.35Å; L202-K205 HydrophobicContact CD2-CD 4.4Å; L202-K205 PolarHBondContact O-N 3.4Å; L202-T206 PolarHBondContact O-N 2.97Å; L202-T206 PolarHBondContact O-OG1 3.19Å; L202-L332 HydrophobicContact CB-CD1 3.63Å; L202-L332 HydrophobicContact CB-CD2 4.4Å; L202-L332 HydrophobicContact CD1-CD1 4.01Å; L202-L332 HydrophobicContact CG-CD1 4.48Å
203S91.3Very high89.2Confident16 Ų1651.7 Ų51.711%0.11227%0.271CS..Hα-helixtrans-64.2-39173.1-175.80000111.8Y199 T200 R201 T206Y199-S203 VanDerWaalsContact O-CB 3.3Å; Y199-S203 WeakPolarHBondContact O-CB 3.47Å; Y199-S203 PolarHBondContact O-N 3.32Å; T200-S203 WeakPolarHBondContact O-CB 3.43Å; T200-S203 PolarHBondContact O-N 2.71Å; R201-S203 VanDerWaalsContact C-N 3.34Å; S203-T206 VanDerWaalsContact O-CB 3.28Å; S203-T206 WeakPolarHBondContact O-CB 3.23Å; S203-T206 PolarHBondContact O-N 2.92Å
204L89.2Confident88.1Confident96 Ų9652.1 Ų52.150%0.50328%0.283SS..Hα-helixtrans-65.2-46.1172.9-68.4173.8000112T200 R201 L202 T206 K207 E208T200-L204 WeakPolarHBondContact O-CG 3.25Å; T200-L204 PolarHBondContact O-N 3.13Å; R201-L204 PolarHBondContact O-N 3.33Å; L202-L204 VanDerWaalsContact C-N 3.35Å; L204-T206 PolarHBondContact O-N 2.72Å; L204-K207 WeakPolarHBondContact O-CB 3.12Å; L204-K207 PolarHBondContact O-N 3.27Å; L204-E208 PolarHBondContact O-N 2.92Å
205K88.8Confident87.1Confident57 Ų5754 Ų5425%0.24829%0.288CS..Hα-helixtrans-54.7-35.1173.8-76-170.5177.6-1790112.1E159 R201 L202 K207 E208 F209E159-K205 IonicContact OE1-NZ 3.79Å; E159-K205 PolarHBondContact OE1-NZ 3.21Å; R201-K205 PolarHBondContact O-N 2.98Å; L202-K205 HydrophobicContact CD2-CD 4.4Å; L202-K205 PolarHBondContact O-N 3.4Å; K205-K207 VanDerWaalsContact C-N 3.29Å; K205-K207 PolarHBondContact O-N 3.22Å; K205-E208 WeakPolarHBondContact O-CB 3.29Å; K205-E208 PolarHBondContact O-N 2.8Å; K205-E208 VanDerWaalsContact O-N 3.14Å; K205-F209 HydrophobicContact CB-CE2 4.04Å; K205-F209 HydrophobicContact CB-CZ 4.23Å; K205-F209 HydrophobicContact CD-CZ 4.41Å; K205-F209 WeakPolarHBondContact O-CD2 3.27Å; K205-F209 VanDerWaalsContact O-CG 3.27Å; K205-F209 WeakPolarHBondContact O-CG 3.38Å; K205-F209 PolarHBondContact O-N 3.3Å
206T87.1Confident86.3Confident5 Ų554 Ų543%0.03129%0.289CS..Hα-helixtrans-58.9-39.7176.9-53.60000112.3L202 S203 L204 F209 L210 F328 H329 L332L202-T206 PolarHBondContact O-N 2.97Å; L202-T206 PolarHBondContact O-OG1 3.19Å; S203-T206 VanDerWaalsContact O-CB 3.28Å; S203-T206 WeakPolarHBondContact O-CB 3.23Å; S203-T206 PolarHBondContact O-N 2.92Å; L204-T206 PolarHBondContact O-N 2.72Å; T206-F209 PolarHBondContact O-N 2.97Å; T206-L210 HydrophobicContact CG2-CD1 4.48Å; T206-L210 WeakPolarHBondContact O-CG 3.5Å; T206-L210 PolarHBondContact O-N 3.27Å; T206-F328 HydrophobicContact CG2-CD1 4.42Å; T206-F328 VanDerWaalsContact OG1-CE1 3.27Å; T206-F328 WeakPolarHBondContact OG1-CE1 3.31Å; T206-H329 WeakPolarHBondContact CG2-ND1 3.28Å; T206-L332 WeakPolarHBondContact OG1-CD2 3.42Å
207K85.2Confident84.8Confident114 Ų11460.4 Ų60.450%0.49631%0.311SS..Hα-helixtrans-66.6-39.7177-63.2-178.2179.8179.60111.2L204 K205 L210 A211L204-K207 WeakPolarHBondContact O-CB 3.12Å; L204-K207 PolarHBondContact O-N 3.27Å; K205-K207 VanDerWaalsContact C-N 3.29Å; K205-K207 PolarHBondContact O-N 3.22Å; K207-L210 PolarHBondContact O-N 3.26Å; K207-A211 PolarHBondContact O-N 3.24Å; K207-A211 VanDerWaalsContact O-N 3.11Å
208E87.7Confident83.2Confident112 Ų11257.2 Ų57.252%0.52329%0.289SS..Hα-helixtrans-63.9-43.9175.2-61.1177.5178.700111.6L204 K205 L210 A211 K212L204-E208 PolarHBondContact O-N 2.92Å; K205-E208 WeakPolarHBondContact O-CB 3.29Å; K205-E208 PolarHBondContact O-N 2.8Å; K205-E208 VanDerWaalsContact O-N 3.14Å; E208-L210 PolarHBondContact O-N 3.45Å; E208-A211 PolarHBondContact O-N 3.44Å; E208-K212 WeakPolarHBondContact O-CG 3.45Å; E208-K212 PolarHBondContact O-N 3.03Å
209F88.3Confident81.9Confident4 Ų456.7 Ų56.72%0.01829%0.286CS..Hα-helixtrans-62.9-40.7176.8-63.6-31.1000112.3F149 E152 I153 A156 K205 T206 A211 K212 S213 F328F149-F209 HydrophobicContact CE2-CB 4.19Å; F149-F209 HydrophobicContact CE2-CD1 4.44Å; E152-F209 HydrophobicContact CB-CE1 3.84Å; E152-F209 HydrophobicContact CB-CZ 4.21Å; I153-F209 HydrophobicContact CD1-CB 4.42Å; I153-F209 HydrophobicContact CD1-CD2 4.49Å; I153-F209 HydrophobicContact CD1-CG 4.29Å; I153-F209 HydrophobicContact CG1-CD1 4Å; I153-F209 HydrophobicContact CG1-CD2 3.83Å; I153-F209 HydrophobicContact CG1-CE1 4.08Å; I153-F209 HydrophobicContact CG1-CE2 3.9Å; I153-F209 HydrophobicContact CG1-CG 3.88Å; I153-F209 HydrophobicContact CG1-CZ 4.03Å; A156-F209 HydrophobicContact CB-CE2 3.99Å; A156-F209 HydrophobicContact CB-CZ 4.15Å; K205-F209 HydrophobicContact CB-CE2 4.04Å; K205-F209 HydrophobicContact CB-CZ 4.23Å; K205-F209 HydrophobicContact CD-CZ 4.41Å; K205-F209 WeakPolarHBondContact O-CD2 3.27Å; K205-F209 VanDerWaalsContact O-CG 3.27Å; K205-F209 WeakPolarHBondContact O-CG 3.38Å; K205-F209 PolarHBondContact O-N 3.3Å; T206-F209 PolarHBondContact O-N 2.97Å; F209-A211 VanDerWaalsContact C-N 3.34Å; F209-A211 PolarHBondContact O-N 2.99Å; F209-K212 PolarHBondContact O-N 3.38Å; F209-S213 VanDerWaalsContact O-CB 3.3Å; F209-S213 WeakPolarHBondContact O-CB 3.41Å; F209-S213 PolarHBondContact O-N 2.99Å; F209-F328 AromaticContact CD2-CD1 3.9Å; F209-F328 HydrophobicContact CD2-CD1 3.9Å; F209-F328 AromaticContact CD2-CE1 3.76Å; F209-F328 HydrophobicContact CD2-CE1 3.76Å; F209-F328 HydrophobicContact CD2-CZ 4.47Å; F209-F328 HydrophobicContact CE2-CD1 4.22Å; F209-F328 AromaticContact CE2-CE1 3.77Å; F209-F328 HydrophobicContact CE2-CE1 3.77Å; F209-F328 HydrophobicContact CE2-CZ 4.03Å
210L84.9Confident80.1Confident67 Ų6758.8 Ų58.835%0.35130%0.295SS..Hα-helixtrans-60.7-44.3174.5-74.8170.1000111.5T206 K207 E208 S213 C325T206-L210 HydrophobicContact CG2-CD1 4.48Å; T206-L210 WeakPolarHBondContact O-CG 3.5Å; T206-L210 PolarHBondContact O-N 3.27Å; K207-L210 PolarHBondContact O-N 3.26Å; E208-L210 PolarHBondContact O-N 3.45Å; L210-S213 PolarHBondContact O-N 3.38Å; L210-S213 PolarHBondContact O-OG 2.97Å; L210-C325 HydrophobicContact CD2-CB 3.95Å
211A82.2Confident78.5Confident60 Ų6058.2 Ų58.250%0.49629%0.29SS..Hα-helixtrans-60.4-49.6175.900000111.9K207 E208 F209 S213 S214K207-A211 PolarHBondContact O-N 3.24Å; K207-A211 VanDerWaalsContact O-N 3.11Å; E208-A211 PolarHBondContact O-N 3.44Å; F209-A211 VanDerWaalsContact C-N 3.34Å; F209-A211 PolarHBondContact O-N 2.99Å; A211-S213 VanDerWaalsContact C-N 3.33Å; A211-S213 PolarHBondContact O-N 2.9Å; A211-S214 PolarHBondContact O-N 2.92Å; A211-S214 PolarHBondContact O-OG 2.77Å
212K83.6Confident77Confident72 Ų7256.6 Ų56.631%0.31328%0.284SS..Hα-helixtrans-61.2-38.4178.3-69.3-177.8-173.7-1770112.7F149 E152 E208 F209 S214 I215 M216F149-K212 HydrophobicContact CD2-CB 3.82Å; F149-K212 HydrophobicContact CD2-CD 4.23Å; F149-K212 HydrophobicContact CE2-CB 4.02Å; E152-K212 IonicContact OE1-NZ 2.72Å; E152-K212 PolarHBondContact OE1-NZ 2.91Å; E152-K212 IonicContact OE2-NZ 3.03Å; E152-K212 PolarHBondContact OE2-NZ 3.23Å; E208-K212 WeakPolarHBondContact O-CG 3.45Å; E208-K212 PolarHBondContact O-N 3.03Å; F209-K212 PolarHBondContact O-N 3.38Å; K212-S214 PolarHBondContact O-N 3.29Å; K212-S214 VanDerWaalsContact O-N 3.16Å; K212-I215 PolarHBondContact O-N 2.78Å; K212-I215 VanDerWaalsContact O-N 3.11Å; K212-M216 PolarHBondContact O-N 2.92Å
213S82.1Confident75.3Confident11 Ų1163.1 Ų63.18%0.07732%0.319CS..Hα-helixtrans-60.4-28.8-176.574.50000114F209 L210 A211 I215 T321F209-S213 VanDerWaalsContact O-CB 3.3Å; F209-S213 WeakPolarHBondContact O-CB 3.41Å; F209-S213 PolarHBondContact O-N 2.99Å; L210-S213 PolarHBondContact O-N 3.38Å; L210-S213 PolarHBondContact O-OG 2.97Å; A211-S213 VanDerWaalsContact C-N 3.33Å; A211-S213 PolarHBondContact O-N 2.9Å; S213-I215 VanDerWaalsContact C-N 3.35Å; S213-T321 PolarHBondContact O-OG1 2.91Å
214S70.4Confident73.6Confident89 Ų8965.6 Ų65.662%0.62234%0.336SS*.Hα-helixtrans-70-30.5179.369.50000113.1A211 K212A211-S214 PolarHBondContact O-N 2.92Å; A211-S214 PolarHBondContact O-OG 2.77Å; K212-S214 PolarHBondContact O-N 3.29Å; K212-S214 VanDerWaalsContact O-N 3.16Å
215I69.6Low72.2Confident121 Ų12162.4 Ų62.462%0.62132%0.319SS*.Hα-helixtrans-84.4-30.1-176.6-58.7170.7000111K212 S213 R217K212-I215 PolarHBondContact O-N 2.78Å; K212-I215 VanDerWaalsContact O-N 3.11Å; S213-I215 VanDerWaalsContact C-N 3.35Å; I215-R217 PolarHBondContact O-N 3.37Å
216M72.7Confident70.9Confident15 Ų1562.6 Ų62.67%0.07433%0.325CS..THydrogen-bonded Turntrans-85.1-0.1-169.8-72179.915800116.1E145 F149 K212 S218 T321E145-M216 HydrophobicContact CB-CE 3.79Å; E145-M216 WeakPolarHBondContact O-CE 3.26Å; F149-M216 HydrophobicContact CB-CE 3.47Å; F149-M216 VanDerWaalsContact CB-CE 3.47Å; F149-M216 HydrophobicContact CB-SD 3.29Å; F149-M216 WeakPolarHBondContact CB-SD 3.36Å; F149-M216 HydrophobicContact CD1-SD 3.64Å; F149-M216 HydrophobicContact CD2-SD 3.9Å; F149-M216 HydrophobicContact CE1-SD 4.4Å; F149-M216 HydrophobicContact CG-CE 4.18Å; F149-M216 HydrophobicContact CG-SD 3.34Å; F149-M216 WeakPolarHBondContact CG-SD 3.4Å; K212-M216 PolarHBondContact O-N 2.92Å; M216-S218 PolarHBondContact O-N 2.86Å; M216-S218 VanDerWaalsContact O-N 3.16Å; M216-T321 HydrophobicContact CB-CG2 3.79Å
217R62Low69.8Low163 Ų16368 Ų6862%0.61535%0.35SS*.Hα-helixtrans-61.8-27.6-169.8-165.8175.1-170.7167.21.4114.4I215I215-R217 PolarHBondContact O-N 3.37Å
218S58Low69Low11 Ų1163.7 Ų63.78%0.07734%0.338CS..Hα-helixtrans-71.1-30.2-171.750.80000114.9M216 L221 W287 L288M216-S218 PolarHBondContact O-N 2.86Å; M216-S218 VanDerWaalsContact O-N 3.16Å; S218-L221 PolarHBondContact O-N 3.08Å; S218-W287 WeakPolarHBondContact OG-CH2 3.35Å; S218-W287 WeakPolarHBondContact OG-CZ2 3.46Å; S218-L288 WeakPolarHBondContact CB-O 3.27Å
219I64.6Low68.5Low25 Ų2561.5 Ų61.513%0.12833%0.327CS..Hα-helixtrans-69-40.5-175.9-64.6159.4000110.5K142 Y146 L221 R222 W287K142-I219 HydrophobicContact CB-CD1 3.91Å; K142-I219 HydrophobicContact CB-CG1 4.31Å; K142-I219 WeakPolarHBondContact O-CD1 3.42Å; Y146-I219 VanDerWaalsContact CB-CD1 3.48Å; Y146-I219 HydrophobicContact CD1-CG2 4.49Å; Y146-I219 HydrophobicContact CD2-CD1 4.45Å; Y146-I219 HydrophobicContact CG-CD1 4.15Å; Y146-I219 HydrophobicContact CG-CG2 4.29Å; I219-L221 PolarHBondContact O-N 2.74Å; I219-R222 PolarHBondContact O-N 2.96Å; I219-R222 VanDerWaalsContact O-N 3.17Å; I219-W287 HydrophobicContact CD1-CH2 4.31Å; I219-W287 HydrophobicContact CG1-CH2 3.57Å; I219-W287 HydrophobicContact CG1-CZ2 4.42Å; I219-W287 HydrophobicContact CG1-CZ3 4.26Å
220F57.7Low68Low43 Ų4361.5 Ų61.519%0.18933%0.327CS..Hα-helixtrans-58.1-29.3176.5-84.3-66.5000114Y146 H150 R222 S319 T321Y146-F220 HydrophobicContact CD2-CE2 4.33Å; Y146-F220 AromaticContact CE2-CD2 3.88Å; Y146-F220 HydrophobicContact CE2-CD2 3.88Å; Y146-F220 HydrophobicContact CE2-CE1 4.06Å; Y146-F220 AromaticContact CE2-CE2 3.29Å; Y146-F220 HydrophobicContact CE2-CE2 3.29Å; Y146-F220 AromaticContact CE2-CZ 3.37Å; Y146-F220 HydrophobicContact CE2-CZ 3.37Å; Y146-F220 AromaticContact CZ-CE1 3.83Å; Y146-F220 AromaticContact CZ-CE2 3.92Å; Y146-F220 AromaticContact CZ-CZ 3.48Å; Y146-F220 VanDerWaalsContact CZ-CZ 3.48Å; Y146-F220 WeakPolarHBondContact OH-CE1 3.25Å; Y146-F220 WeakPolarHBondContact OH-CZ 3.31Å; H150-F220 AromaticContact NE2-CZ 3.73Å; F220-R222 PolarHBondContact O-N 2.92Å; F220-R222 VanDerWaalsContact O-N 3.17Å; F220-S319 WeakPolarHBondContact CE1-O 3.5Å; F220-S319 VanDerWaalsContact CE2-O 3.25Å; F220-S319 WeakPolarHBondContact CE2-O 3.29Å; F220-S319 WeakPolarHBondContact CZ-O 3.37Å; F220-T321 HydrophobicContact CD2-CG2 4.13Å; F220-T321 HydrophobicContact CE2-CG2 3.5Å; F220-T321 VanDerWaalsContact CE2-CG2 3.5Å
221L57.3Low68Low42 Ų4259.4 Ų59.422%0.2232%0.317CS..THydrogen-bonded Turntrans-71.3-7.3-177.2-61.2173.3000112.9S218 I219 L288 P291S218-L221 PolarHBondContact O-N 3.08Å; I219-L221 PolarHBondContact O-N 2.74Å; L221-L288 HydrophobicContact CB-CB 4.19Å; L221-L288 HydrophobicContact CB-CD1 3.55Å; L221-L288 HydrophobicContact CD1-CB 4.03Å; L221-L288 WeakPolarHBondContact O-CD1 3.49Å; L221-P291 HydrophobicContact CD2-CB 4.07Å; L221-P291 HydrophobicContact CD2-CG 4.22Å
222R61.8Low68.2Low66 Ų6656.6 Ų56.625%0.24930%0.295CS..THydrogen-bonded Turntrans-86.7-17.4-176.2-75.7-167.1151.5-144.1-10115.7H139 I219 F220 S224 W268 S283 F286 L288H139-R222 PolarHBondContact CE1-NH1 3.46Å; H139-R222 VanDerWaalsContact CE1-NH1 3.26Å; H139-R222 PolarHBondContact CE1-NH2 3.44Å; H139-R222 PolarHBondContact ND1-NH1 3.43Å; H139-R222 PolarHBondContact NE2-NH2 3.24Å; I219-R222 PolarHBondContact O-N 2.96Å; I219-R222 VanDerWaalsContact O-N 3.17Å; F220-R222 PolarHBondContact O-N 2.92Å; F220-R222 VanDerWaalsContact O-N 3.17Å; R222-S224 PolarHBondContact O-N 3.02Å; R222-S224 VanDerWaalsContact O-N 3.1Å; R222-W268 HydrophobicContact CG-CH2 4.41Å; R222-S283 PolarHBondContact NH2-O 2.86Å; R222-F286 PolarHBondContact NH2-O 3.47Å; R222-L288 HydrophobicContact CG-CD1 4.44Å
223N56.3Low68.4Low137 Ų13758.7 Ų58.773%0.73330%0.301SS*.SBendtrans-63.3-22.7-174.8-77.2-0.6000113.1
224S56.4Low68.7Low67 Ų6758.2 Ų58.247%0.46930%0.298SS..SBendtrans-172.1129.5160.8-75.20000107.2R222 T226R222-S224 PolarHBondContact O-N 3.02Å; R222-S224 VanDerWaalsContact O-N 3.1Å; S224-T226 PolarHBondContact O-N 2.88Å; S224-T226 VanDerWaalsContact O-N 3.12Å
225L60.5Low69.6Low30 Ų3054.6 Ų54.616%0.15727%0.271CS..PPolyproline II helixtrans-58.9120.7168.5-86.6167.4000108.2H230 V254 W268 L288L225-H230 HydrophobicContact CD2-CB 4.12Å; L225-H230 WeakPolarHBondContact CD2-CD2 3.37Å; L225-V254 HydrophobicContact CD2-CG2 4.42Å; L225-W268 HydrophobicContact CD1-CB 4.46Å; L225-W268 HydrophobicContact CD1-CD2 3.27Å; L225-W268 HydrophobicContact CD1-CE3 3.7Å; L225-W268 HydrophobicContact CD1-CG 3.62Å; L225-W268 HydrophobicContact CD1-CH2 4.02Å; L225-W268 HydrophobicContact CD1-CZ2 3.64Å; L225-W268 HydrophobicContact CD1-CZ3 4.04Å; L225-W268 HydrophobicContact CD2-CH2 4.48Å; L225-W268 HydrophobicContact CG-CD2 4.31Å; L225-W268 HydrophobicContact CG-CH2 4.06Å; L225-W268 HydrophobicContact CG-CZ2 3.78Å; L225-W268 HydrophobicContact CG-CZ3 4.45Å; L225-L288 HydrophobicContact CD2-CD1 3.88Å; L225-L288 HydrophobicContact CD2-CD2 3.85Å
226T61.3Low70.5Confident60 Ų6048.9 Ų48.937%0.36824%0.242SC..PPolyproline II helixtrans-65155.8171.151.30000109.6S224 G228 H230S224-T226 PolarHBondContact O-N 2.88Å; S224-T226 VanDerWaalsContact O-N 3.12Å; T226-G228 PolarHBondContact O-N 3.36Å; T226-H230 PolarHBondContact O-NE2 2.9Å; T226-H230 PolarHBondContact OG1-CE1 3.15Å; T226-H230 PolarHBondContact OG1-NE2 2.91Å
227Q64.1Low71.1Confident120 Ų12049.5 Ų49.556%0.56125%0.248SC*.SBendtrans-54.9130.6177.2-65.6-173.13000110.3E309Q227-E309 PolarHBondContact NE2-OE1 3.26Å; Q227-E309 VanDerWaalsContact NE2-OE1 3.1Å
228G66.9Low72.3Confident23 Ų2342.6 Ų42.624%0.23722%0.223CC..SBendtrans126.2175.2-177.100000113.8T226 H230 W255T226-G228 PolarHBondContact O-N 3.36Å; G228-H230 PolarHBondContact O-CD2 3.17Å; G228-W255 WeakPolarHBondContact O-CB 3.42Å
229K77.5Confident73.5Confident66 Ų6650.3 Ų50.329%0.28725%0.25SS..  trans-96.7121.5176.8-66.8-172.9175.8-1740108.2V254 W255 E271 E292 S294K229-V254 CarbonylContact C-O 3.5Å; K229-V254 WeakPolarHBondContact CA-O 3.45Å; K229-W255 HydrophobicContact CD-CE3 4.12Å; K229-W255 HydrophobicContact CD-CZ3 4.31Å; K229-W255 HydrophobicContact CG-CB 4.4Å; K229-W255 HydrophobicContact CG-CD2 4.25Å; K229-W255 HydrophobicContact CG-CE3 3.8Å; K229-W255 HydrophobicContact CG-CZ3 4.47Å; K229-E271 IonicContact NZ-OE2 2.65Å; K229-E271 PolarHBondContact NZ-OE2 2.82Å; K229-E292 VanDerWaalsContact O-CB 3.25Å; K229-E292 WeakPolarHBondContact O-CB 3.35Å; K229-S294 VanDerWaalsContact CB-OG 3.29Å; K229-S294 WeakPolarHBondContact CB-OG 3.5Å; K229-S294 WeakPolarHBondContact CG-OG 3.44Å; K229-S294 PolarHBondContact N-OG 3.42Å
230H79.1Confident74.4Confident4 Ų449.5 Ų49.52%0.01925%0.247CC..EExtended strand (participates in β ladder)trans-106.5147.1-178.9-61.2-84.9000110.3L225 T226 G228 K253 V254 L288 P291L225-H230 HydrophobicContact CD2-CB 4.12Å; L225-H230 WeakPolarHBondContact CD2-CD2 3.37Å; T226-H230 PolarHBondContact O-NE2 2.9Å; T226-H230 PolarHBondContact OG1-CE1 3.15Å; T226-H230 PolarHBondContact OG1-NE2 2.91Å; G228-H230 PolarHBondContact O-CD2 3.17Å; H230-K253 CarbonylContact O-C 3.37Å; H230-K253 VanDerWaalsContact O-CA 3.29Å; H230-K253 WeakPolarHBondContact O-CA 3.42Å; H230-V254 HydrophobicContact CB-CG2 4.14Å; H230-V254 PolarHBondContact N-O 3.12Å; H230-V254 PolarHBondContact O-N 3.27Å; H230-L288 HydrophobicContact CB-CD2 3.93Å; H230-P291 WeakPolarHBondContact ND1-CA 3.4Å
231S83.7Confident75.4Confident22 Ų2252.8 Ų52.815%0.15427%0.272CS..EExtended strand (participates in β ladder)trans-82.6132.2175.7-74.40000110.3T289 S290 E292S231-T289 VanDerWaalsContact C-OG1 3.23Å; S231-T289 WeakPolarHBondContact CB-OG1 3.31Å; S231-T289 PolarHBondContact O-N 2.86Å; S231-T289 PolarHBondContact O-OG1 3.17Å; S231-S290 PolarHBondContact N-O 3.06Å; S231-S290 PolarHBondContact O-N 3.19Å; S231-E292 VanDerWaalsContact OG-CD 3.22Å; S231-E292 PolarHBondContact OG-OE1 3.32Å
232A86.6Confident76.5Confident2 Ų253.7 Ų53.72%0.01728%0.282CS..EExtended strand (participates in β ladder)trans-140.1162.3-178.700000112.5S251 V252 V254 F286 W287 L288A232-S251 CarbonylContact O-C 3.58Å; A232-S251 WeakPolarHBondContact O-CA 3.4Å; A232-V252 HydrophobicContact CB-CG2 4.13Å; A232-V252 PolarHBondContact N-O 3.07Å; A232-V252 PolarHBondContact O-N 3.05Å; A232-V252 VanDerWaalsContact O-O 3.12Å; A232-V254 HydrophobicContact CB-CG1 3.95Å; A232-V254 HydrophobicContact CB-CG2 3.82Å; A232-F286 HydrophobicContact CB-CB 4.33Å; A232-W287 CarbonylContact C-O 3.58Å; A232-W287 WeakPolarHBondContact CA-O 3.28Å; A232-W287 WeakPolarHBondContact CB-O 3.49Å; A232-L288 HydrophobicContact CB-CD2 4.16Å
233Y88Confident77.2Confident116 Ų11652.1 Ų52.146%0.45529%0.286SS..EExtended strand (participates in β ladder)trans-104.6144.8165.9-66.1-60.7000111E250 F286 W287 T289Y233-E250 WeakPolarHBondContact CA-O 3.12Å; Y233-F286 CarbonylContact O-C 3.59Å; Y233-F286 WeakPolarHBondContact O-CA 3.17Å; Y233-W287 PolarHBondContact N-O 3.42Å; Y233-W287 PolarHBondContact O-N 3.48Å; Y233-T289 HydrophobicContact CD2-CG2 3.16Å; Y233-T289 HydrophobicContact CE2-CG2 3.16Å; Y233-T289 HydrophobicContact CG-CG2 4.02Å
234L89.6Confident78.4Confident1 Ų151.1 Ų51.11%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-78.8127.4174.1-163.774.2000111.1A236 L238 V246 G249 E250 F286L234-A236 WeakPolarHBondContact CD2-O 3.45Å; L234-A236 WeakPolarHBondContact CG-O 3.49Å; L234-L238 HydrophobicContact CD1-CD1 3.64Å; L234-L238 HydrophobicContact CD1-CG 4.05Å; L234-L238 HydrophobicContact CD2-CB 4.5Å; L234-L238 HydrophobicContact CD2-CG 4.44Å; L234-V246 HydrophobicContact CD2-CB 3.83Å; L234-V246 HydrophobicContact CD2-CG1 3.63Å; L234-V246 WeakPolarHBondContact CD2-O 3Å; L234-G249 PolarHBondContact O-N 3.13Å; L234-E250 PolarHBondContact N-O 2.63Å; L234-F286 HydrophobicContact CD1-CD1 3.85Å; L234-F286 HydrophobicContact CD1-CE1 3.47Å; L234-F286 VanDerWaalsContact CD1-CE1 3.47Å; L234-F286 HydrophobicContact CD1-CZ 4.31Å
235L88.1Confident79.6Confident13 Ų1351 Ų517%0.06828%0.277CS..SBendtrans-96.2-23.2178.5-65.7177.1000113.4A135 F138 H139 R248 C285 W287A135-L235 HydrophobicContact CB-CB 3.93Å; F138-L235 HydrophobicContact CD1-CD1 3.83Å; F138-L235 HydrophobicContact CD1-CD2 3.93Å; F138-L235 HydrophobicContact CE1-CD1 4.31Å; F138-L235 HydrophobicContact CE1-CD2 4.01Å; F138-L235 HydrophobicContact CG-CD2 4.26Å; F138-L235 HydrophobicContact CZ-CD2 4.4Å; H139-L235 VanDerWaalsContact CE1-CD1 3.49Å; H139-L235 WeakPolarHBondContact CE1-CD1 3.46Å; H139-L235 WeakPolarHBondContact NE2-CD1 3.08Å; L235-R248 WeakPolarHBondContact O-CD 3.5Å; L235-R248 WeakPolarHBondContact O-CG 3.32Å; L235-R248 PolarHBondContact O-NE 3.44Å; L235-C285 PolarHBondContact N-O 2.85Å; L235-W287 HydrophobicContact CD1-CB 4.11Å; L235-W287 HydrophobicContact CD2-CB 4.13Å; L235-W287 HydrophobicContact CG-CB 4.1Å
236A87.6Confident80.7Confident0 Ų049.7 Ų49.70%027%0.27CS..SBendtrans-133.4138.8177.400000109.6Q131 L132 L234 L238Q131-A236 HydrophobicContact CB-CB 4.02Å; L132-A236 HydrophobicContact CD2-CB 4.48Å; L234-A236 WeakPolarHBondContact CD2-O 3.45Å; L234-A236 WeakPolarHBondContact CG-O 3.49Å; A236-L238 PolarHBondContact O-N 3.4Å
237S87.2Confident81.9Confident29 Ų2951.8 Ų51.820%0.20328%0.275CS..  trans-66.5132.6-178.5-76.60000111.2V246 H247 R248S237-V246 VanDerWaalsContact CA-O 3.26Å; S237-V246 WeakPolarHBondContact CA-O 2.88Å; S237-V246 WeakPolarHBondContact CB-O 3.46Å; S237-V246 PolarHBondContact OG-O 3.2Å; S237-H247 WeakPolarHBondContact OG-CA 3.42Å; S237-R248 PolarHBondContact OG-N 3.28Å
238L86.1Confident82.9Confident17 Ų1751.9 Ų51.99%0.08927%0.27CS..EExtended strand (participates in β ladder)trans-120.4149.4-178.8-65.1177.9000110.5Y128 L234 A236 S245 V246 I278 A281 C285 F286Y128-L238 HydrophobicContact CE2-CD2 3.83Å; L234-L238 HydrophobicContact CD1-CD1 3.64Å; L234-L238 HydrophobicContact CD1-CG 4.05Å; L234-L238 HydrophobicContact CD2-CB 4.5Å; L234-L238 HydrophobicContact CD2-CG 4.44Å; A236-L238 PolarHBondContact O-N 3.4Å; L238-S245 WeakPolarHBondContact O-CA 3.26Å; L238-V246 PolarHBondContact N-O 2.79Å; L238-V246 PolarHBondContact O-N 3.42Å; L238-I278 HydrophobicContact CB-CD1 3.81Å; L238-I278 HydrophobicContact CD1-CD1 3.94Å; L238-I278 HydrophobicContact CD1-CG2 4.43Å; L238-A281 HydrophobicContact CD1-CB 3.92Å; L238-C285 HydrophobicContact CD1-CB 4.4Å; L238-F286 HydrophobicContact CD1-CE1 4.28Å; L238-F286 HydrophobicContact CD1-CZ 3.91Å
239R83.1Confident83.7Confident173 Ų17353.1 Ų53.165%0.65328%0.283SS*.EExtended strand (participates in β ladder)trans-95.3131.5174.7-160.4174-170.1165.9-2.6110.1G243 Q244R239-G243 PolarHBondContact NE-O 3.17Å; R239-G243 PolarHBondContact NH2-O 3.43Å; R239-Q244 WeakPolarHBondContact CG-O 3.46Å
240L83.8Confident84.2Confident9 Ų953.1 Ų53.15%0.04728%0.284CS..  trans-78.5158.1176.1-68.5157.9000110.6S242 G243 Q244 V246 V272 E276 I278L240-S242 WeakPolarHBondContact CB-OG 3.37Å; L240-S242 PolarHBondContact O-N 2.94Å; L240-S242 VanDerWaalsContact O-N 3.16Å; L240-G243 PolarHBondContact O-N 3.39Å; L240-Q244 WeakPolarHBondContact CB-O 3.43Å; L240-Q244 HydrophobicContact CD1-CB 4.05Å; L240-Q244 PolarHBondContact N-O 2.54Å; L240-V246 HydrophobicContact CD1-CG2 3.49Å; L240-V246 VanDerWaalsContact CD1-CG2 3.49Å; L240-V246 HydrophobicContact CD2-CG2 3.84Å; L240-V246 HydrophobicContact CG-CG2 3.56Å; L240-V272 HydrophobicContact CD1-CG2 4.43Å; L240-V272 HydrophobicContact CD2-CG2 3.76Å; L240-E276 WeakPolarHBondContact CB-OE2 3.19Å; L240-E276 HydrophobicContact CD1-CB 4.49Å; L240-E276 VanDerWaalsContact CD1-OE2 3.32Å; L240-E276 WeakPolarHBondContact CD1-OE2 3.3Å; L240-E276 HydrophobicContact CD2-CB 3.89Å; L240-I278 HydrophobicContact CD2-CD1 3.89Å; L240-I278 HydrophobicContact CD2-CG1 3.47Å; L240-I278 VanDerWaalsContact CD2-CG1 3.47Å; L240-I278 HydrophobicContact CG-CG1 4.49Å
241P78.3Confident84.6Confident111 Ų11156.5 Ų56.572%0.72131%0.308SS*.THydrogen-bonded Turntrans-57.2-26.8173.6-24.634.5000113.8G243 Q277P241-G243 PolarHBondContact O-N 3.39Å; P241-Q277 WeakPolarHBondContact CD-O 3.4Å; P241-Q277 WeakPolarHBondContact CG-O 3.4Å
242S79.9Confident84.9Confident62 Ų6255.6 Ų55.643%0.43430%0.302SS..THydrogen-bonded Turntrans-68.9-12.1174.261.60000113.9L240 Q244 E276L240-S242 WeakPolarHBondContact CB-OG 3.37Å; L240-S242 PolarHBondContact O-N 2.94Å; L240-S242 VanDerWaalsContact O-N 3.16Å; S242-Q244 VanDerWaalsContact C-N 3.34Å; S242-Q244 PolarHBondContact OG-N 3.04Å; S242-E276 VanDerWaalsContact CB-OE1 3.25Å; S242-E276 WeakPolarHBondContact CB-OE1 3.19Å; S242-E276 WeakPolarHBondContact CB-OE2 3.46Å; S242-E276 PolarHBondContact OG-OE1 3.22Å; S242-E276 PolarHBondContact OG-OE2 2.99Å
243G77.2Confident85Confident32 Ų3260 Ų6033%0.3332%0.32SS..SBendtrans89.6-8.4-17300000114.2R239 L240 P241R239-G243 PolarHBondContact NE-O 3.17Å; R239-G243 PolarHBondContact NH2-O 3.43Å; L240-G243 PolarHBondContact O-N 3.39Å; P241-G243 PolarHBondContact O-N 3.39Å
244Q82Confident84.8Confident116 Ų11654.4 Ų54.454%0.54230%0.299SS..  trans-70.4155.6173.1-65.1-174.70.800111.5R239 L240 S242R239-Q244 WeakPolarHBondContact CG-O 3.46Å; L240-Q244 WeakPolarHBondContact CB-O 3.43Å; L240-Q244 HydrophobicContact CD1-CB 4.05Å; L240-Q244 PolarHBondContact N-O 2.54Å; S242-Q244 VanDerWaalsContact C-N 3.34Å; S242-Q244 PolarHBondContact OG-N 3.04Å
245S80.9Confident84.4Confident66 Ų6656.5 Ų56.546%0.46231%0.306SS..EExtended strand (participates in β ladder)trans-107.7132.2176.756.60000111.4L238 H247L238-S245 WeakPolarHBondContact O-CA 3.26Å; S245-H247 PolarHBondContact OG-CE1 2.95Å
246V83.6Confident83.7Confident2 Ų257.5 Ų57.51%0.01232%0.319CS..EExtended strand (participates in β ladder)trans-88.3124.5168.7-1680000107.8L234 S237 L238 L240 E250 V252 V272 I278L234-V246 HydrophobicContact CD2-CB 3.83Å; L234-V246 HydrophobicContact CD2-CG1 3.63Å; L234-V246 WeakPolarHBondContact CD2-O 3Å; S237-V246 VanDerWaalsContact CA-O 3.26Å; S237-V246 WeakPolarHBondContact CA-O 2.88Å; S237-V246 WeakPolarHBondContact CB-O 3.46Å; S237-V246 PolarHBondContact OG-O 3.2Å; L238-V246 PolarHBondContact N-O 2.79Å; L238-V246 PolarHBondContact O-N 3.42Å; L240-V246 HydrophobicContact CD1-CG2 3.49Å; L240-V246 VanDerWaalsContact CD1-CG2 3.49Å; L240-V246 HydrophobicContact CD2-CG2 3.84Å; L240-V246 HydrophobicContact CG-CG2 3.56Å; V246-E250 HydrophobicContact CG1-CB 3.98Å; V246-E250 HydrophobicContact CG1-CG 4.48Å; V246-E250 WeakPolarHBondContact CG1-OE2 3.3Å; V246-V252 HydrophobicContact CG1-CG1 4.41Å; V246-V272 HydrophobicContact CG1-CG1 4.41Å; V246-V272 HydrophobicContact CG1-CG2 4.15Å; V246-V272 HydrophobicContact CG2-CG1 4.43Å; V246-V272 HydrophobicContact CG2-CG2 3.5Å; V246-I278 HydrophobicContact CG2-CD1 4.11Å
247H86.8Confident82.6Confident104 Ų10459 Ų5948%0.48133%0.328SS..PPolyproline II helixtrans-85.3151.6-177.1-63.9-66.9000112.4S237 S245 G249 E250S237-H247 WeakPolarHBondContact OG-CA 3.42Å; S245-H247 PolarHBondContact OG-CE1 2.95Å; H247-G249 PolarHBondContact O-N 3Å; H247-E250 WeakPolarHBondContact CB-OE1 3.47Å; H247-E250 IonicContact CD2-OE1 3.69Å; H247-E250 IonicContact CG-OE1 3.96Å; H247-E250 PolarHBondContact N-OE1 2.67Å; H247-E250 WeakPolarHBondContact O-CB 3.17Å; H247-E250 WeakPolarHBondContact O-CG 3.39Å; H247-E250 PolarHBondContact O-N 3.13Å
248R84.2Confident81.2Confident121 Ų12164.1 Ų64.146%0.45735%0.353SS..THydrogen-bonded Turntrans-53.7136.4171.5177.5-179.5-176.3-177.19.7109.8E134 L235 S237E134-R248 IonicContact OE2-CZ 3.73Å; E134-R248 IonicContact OE2-NH1 2.69Å; E134-R248 PolarHBondContact OE2-NH1 2.89Å; E134-R248 IonicContact OE2-NH2 3.47Å; L235-R248 WeakPolarHBondContact O-CD 3.5Å; L235-R248 WeakPolarHBondContact O-CG 3.32Å; L235-R248 PolarHBondContact O-NE 3.44Å; S237-R248 PolarHBondContact OG-N 3.28Å
249G84.7Confident79.6Confident49 Ų4970.3 Ų70.351%0.50538%0.381SS..THydrogen-bonded Turntrans93.3-10.8-178.200000114.4L234 H247L234-G249 PolarHBondContact O-N 3.13Å; H247-G249 PolarHBondContact O-N 3Å
250E87.8Confident78Confident66 Ų6671.1 Ų71.131%0.30839%0.39SS..  trans-69.5144.9176.2-72-178.2-153.700112.2Y233 L234 V246 H247Y233-E250 WeakPolarHBondContact CA-O 3.12Å; L234-E250 PolarHBondContact N-O 2.63Å; V246-E250 HydrophobicContact CG1-CB 3.98Å; V246-E250 HydrophobicContact CG1-CG 4.48Å; V246-E250 WeakPolarHBondContact CG1-OE2 3.3Å; H247-E250 WeakPolarHBondContact CB-OE1 3.47Å; H247-E250 IonicContact CD2-OE1 3.69Å; H247-E250 IonicContact CG-OE1 3.96Å; H247-E250 PolarHBondContact N-OE1 2.67Å; H247-E250 WeakPolarHBondContact O-CB 3.17Å; H247-E250 WeakPolarHBondContact O-CG 3.39Å; H247-E250 PolarHBondContact O-N 3.13Å
251S88.5Confident76.1Confident75 Ų7575.2 Ų75.252%0.52441%0.411SS..EExtended strand (participates in β ladder)trans-80.8128.9176.158.90000110.9A232A232-S251 CarbonylContact O-C 3.58Å; A232-S251 WeakPolarHBondContact O-CA 3.4Å
252V88.7Confident74.4Confident4 Ų472.9 Ų72.92%0.02440%0.398CS..EExtended strand (participates in β ladder)trans-132.4155.6179.9-640000110.4A232 V246 V254 E271 V272 F286A232-V252 HydrophobicContact CB-CG2 4.13Å; A232-V252 PolarHBondContact N-O 3.07Å; A232-V252 PolarHBondContact O-N 3.05Å; A232-V252 VanDerWaalsContact O-O 3.12Å; V246-V252 HydrophobicContact CG1-CG1 4.41Å; V252-V254 HydrophobicContact CG2-CG1 3.97Å; V252-E271 CarbonylContact C-O 3.55Å; V252-E271 WeakPolarHBondContact CA-O 3.45Å; V252-V272 HydrophobicContact CG1-CG2 4.21Å; V252-F286 HydrophobicContact CG2-CD1 3.86Å; V252-F286 HydrophobicContact CG2-CE1 4.06Å
253K88.1Confident72.8Confident93 Ų9378.9 Ų78.940%0.40442%0.416SS..EExtended strand (participates in β ladder)trans-99.5125.2170.5-68.9-174.2177.9-173.60109.4H230 W255 A270 E271H230-K253 CarbonylContact O-C 3.37Å; H230-K253 VanDerWaalsContact O-CA 3.29Å; H230-K253 WeakPolarHBondContact O-CA 3.42Å; K253-W255 WeakPolarHBondContact O-CZ3 3.11Å; K253-A270 CarbonylContact O-C 3.49Å; K253-A270 VanDerWaalsContact O-CA 3.27Å; K253-A270 WeakPolarHBondContact O-CA 3.37Å; K253-E271 HydrophobicContact CB-CB 4.41Å; K253-E271 PolarHBondContact N-O 2.88Å; K253-E271 PolarHBondContact O-N 2.93Å
254V85.3Confident71.3Confident0 Ų082.5 Ų82.50%043%0.427CS..EExtended strand (participates in β ladder)trans-117.4143.4-176.3-60.30000112.3L225 K229 H230 A232 V252 W268 N269 A270 F286 L288L225-V254 HydrophobicContact CD2-CG2 4.42Å; K229-V254 CarbonylContact C-O 3.5Å; K229-V254 WeakPolarHBondContact CA-O 3.45Å; H230-V254 HydrophobicContact CB-CG2 4.14Å; H230-V254 PolarHBondContact N-O 3.12Å; H230-V254 PolarHBondContact O-N 3.27Å; A232-V254 HydrophobicContact CB-CG1 3.95Å; A232-V254 HydrophobicContact CB-CG2 3.82Å; V252-V254 HydrophobicContact CG2-CG1 3.97Å; V254-W268 HydrophobicContact CB-CE3 4.32Å; V254-W268 HydrophobicContact CG2-CE3 4.15Å; V254-W268 HydrophobicContact CG2-CZ3 4.35Å; V254-N269 CarbonylContact C-O 3.58Å; V254-N269 WeakPolarHBondContact CA-O 3.38Å; V254-A270 HydrophobicContact CG1-CB 3.96Å; V254-F286 HydrophobicContact CG1-CB 4.34Å; V254-F286 HydrophobicContact CG1-CD1 3.7Å; V254-F286 HydrophobicContact CG1-CD2 4.43Å; V254-F286 HydrophobicContact CG1-CE1 4.06Å; V254-F286 HydrophobicContact CG1-CG 3.9Å; V254-L288 HydrophobicContact CG2-CD2 3.42Å; V254-L288 VanDerWaalsContact CG2-CD2 3.42Å
255W81.6Confident70.1Confident45 Ų4582.7 Ų82.717%0.1743%0.428CS..EExtended strand (participates in β ladder)trans-141.7154.717360.998.4000110.9G228 K229 K253 N269 E271 Q277G228-W255 WeakPolarHBondContact O-CB 3.42Å; K229-W255 HydrophobicContact CD-CE3 4.12Å; K229-W255 HydrophobicContact CD-CZ3 4.31Å; K229-W255 HydrophobicContact CG-CB 4.4Å; K229-W255 HydrophobicContact CG-CD2 4.25Å; K229-W255 HydrophobicContact CG-CE3 3.8Å; K229-W255 HydrophobicContact CG-CZ3 4.47Å; K253-W255 WeakPolarHBondContact O-CZ3 3.11Å; W255-N269 HydrophobicContact CD2-CB 3.95Å; W255-N269 VanDerWaalsContact CE2-CB 3.43Å; W255-N269 HydrophobicContact CG-CB 4.36Å; W255-N269 HydrophobicContact CH2-CB 4.27Å; W255-N269 HydrophobicContact CZ2-CB 3.62Å; W255-N269 PolarHBondContact N-O 2.93Å; W255-N269 PolarHBondContact NE1-ND2 2.71Å; W255-N269 PolarHBondContact O-N 3.48Å; W255-E271 HydrophobicContact CH2-CB 3.82Å; W255-E271 HydrophobicContact CZ3-CB 3.58Å; W255-Q277 HydrophobicContact CH2-CG 4.11Å
256G72.3Confident69.3Low33 Ų3381.7 Ų81.734%0.3442%0.421SS..EExtended strand (participates in β ladder)trans-65.1146.9176.600000111.4
257N64.4Low68.9Low33 Ų3385.2 Ų85.218%0.17644%0.437CS..  trans-63.9155.3167.7-107.2-22.9000110.7Q259 L261 N269 N280N257-Q259 PolarHBondContact O-N 2.67Å; N257-L261 HydrophobicContact CB-CB 4.11Å; N257-L261 HydrophobicContact CB-CD1 4.31Å; N257-N269 PolarHBondContact OD1-ND2 3.1Å; N257-N269 PolarHBondContact OD1-OD1 2.89Å; N257-N280 PolarHBondContact ND2-OD1 3.31Å
258N57.2Low68.7Low136 Ų13681 Ų8173%0.72742%0.417SS*.  trans-40.2140.2177.5-76.3-21.6000111.6F260 L261N258-F260 PolarHBondContact O-N 3.45Å; N258-L261 PolarHBondContact O-N 3.06Å
259Q54.4Low68.7Low146 Ų14675.9 Ų75.968%0.68240%0.399SS*.THydrogen-bonded Turntrans-41.8-28.8-170.6-80.9178.4-6.400115.7N257 S262N257-Q259 PolarHBondContact O-N 2.67Å; Q259-S262 WeakPolarHBondContact O-CB 3.38Å; Q259-S262 PolarHBondContact O-OG 3.18Å
260F47.8Very low68.8Low191 Ų19173.5 Ų73.584%0.83838%0.375SS*.THydrogen-bonded Turntrans-72.2-28.6-179.6-64.7-77.8000115.1N258N258-F260 PolarHBondContact O-N 3.45Å
261L44.2Very low68.9Low94 Ų9472.4 Ų72.449%0.49237%0.369SS..THydrogen-bonded Turntrans-90.2-5177.5-72.6167.3000113N257 N258 K263 L264N257-L261 HydrophobicContact CB-CB 4.11Å; N257-L261 HydrophobicContact CB-CD1 4.31Å; N258-L261 PolarHBondContact O-N 3.06Å; L261-K263 PolarHBondContact O-N 2.93Å; L261-L264 PolarHBondContact O-N 3.21Å; L261-L264 VanDerWaalsContact O-N 3.07Å
262S43.9Very low68.9Low63 Ų6369.3 Ų69.344%0.44135%0.347SS..G310 helixtrans-54.6-26.7-178.662.40000114.1Q259 L264 H265Q259-S262 WeakPolarHBondContact O-CB 3.38Å; Q259-S262 PolarHBondContact O-OG 3.18Å; S262-L264 PolarHBondContact O-N 3.36Å; S262-L264 VanDerWaalsContact O-N 3.11Å; S262-H265 PolarHBondContact O-CD2 3.26Å; S262-H265 PolarHBondContact O-N 2.62Å
263K45.6Very low68.6Low188 Ų18874.4 Ų74.482%0.81738%0.383SS*.G310 helixtrans-55.8-29176.7-78.3-170.9177.4-176.30113.7L261L261-K263 PolarHBondContact O-N 2.93Å
264L46Very low68.2Low108 Ų10873.7 Ų73.757%0.56538%0.384SS*.G310 helixtrans-79.2-19.9-178.6-76.4167.4000112.3L261 S262 S266L261-L264 PolarHBondContact O-N 3.21Å; L261-L264 VanDerWaalsContact O-N 3.07Å; S262-L264 PolarHBondContact O-N 3.36Å; S262-L264 VanDerWaalsContact O-N 3.11Å; L264-S266 WeakPolarHBondContact O-CA 3.36Å; L264-S266 WeakPolarHBondContact O-CB 3.27Å; L264-S266 PolarHBondContact O-N 3.08Å; L264-S266 PolarHBondContact O-OG 3.09Å; L264-S266 VanDerWaalsContact O-OG 3.11Å
265H56.6Low67.9Low119 Ų11975.4 Ų75.455%0.55140%0.401SS*.  trans46.72.1-176.9-65.9-77.6000116S262 S283S262-H265 PolarHBondContact O-CD2 3.26Å; S262-H265 PolarHBondContact O-N 2.62Å; H265-S283 PolarHBondContact O-OG 3.1Å
266S64.7Low67.9Low46 Ų4676 Ų7632%0.32241%0.406SS..  trans-110.9-11.2-15960.20000112.2L264 P282 S283L264-S266 WeakPolarHBondContact O-CA 3.36Å; L264-S266 WeakPolarHBondContact O-CB 3.27Å; L264-S266 PolarHBondContact O-N 3.08Å; L264-S266 PolarHBondContact O-OG 3.09Å; L264-S266 VanDerWaalsContact O-OG 3.11Å; S266-P282 CarbonylContact O-C 3.54Å; S266-P282 WeakPolarHBondContact O-CA 3.45Å; S266-S283 PolarHBondContact O-N 2.98Å
267E75.2Confident68.6Low75 Ų7578.4 Ų78.435%0.3541%0.408SS..EExtended strand (participates in β ladder)trans-134123.9-173.8-70.7176.7-166.900111.2A281E267-A281 CarbonylContact C-O 3.5Å; E267-A281 VanDerWaalsContact CA-O 3.3Å; E267-A281 WeakPolarHBondContact CA-O 3.35Å
268W81.7Confident69.5Low16 Ų1677.5 Ų77.56%0.06140%0.403CS..EExtended strand (participates in β ladder)trans-120.9155.8-178.9-61.1-12.1000110.3R222 L225 V254 A281 F286 L288R222-W268 HydrophobicContact CG-CH2 4.41Å; L225-W268 HydrophobicContact CD1-CB 4.46Å; L225-W268 HydrophobicContact CD1-CD2 3.27Å; L225-W268 HydrophobicContact CD1-CE3 3.7Å; L225-W268 HydrophobicContact CD1-CG 3.62Å; L225-W268 HydrophobicContact CD1-CH2 4.02Å; L225-W268 HydrophobicContact CD1-CZ2 3.64Å; L225-W268 HydrophobicContact CD1-CZ3 4.04Å; L225-W268 HydrophobicContact CD2-CH2 4.48Å; L225-W268 HydrophobicContact CG-CD2 4.31Å; L225-W268 HydrophobicContact CG-CH2 4.06Å; L225-W268 HydrophobicContact CG-CZ2 3.78Å; L225-W268 HydrophobicContact CG-CZ3 4.45Å; V254-W268 HydrophobicContact CB-CE3 4.32Å; V254-W268 HydrophobicContact CG2-CE3 4.15Å; V254-W268 HydrophobicContact CG2-CZ3 4.35Å; W268-A281 PolarHBondContact N-O 3.1Å; W268-A281 PolarHBondContact O-N 3.43Å; W268-F286 HydrophobicContact CB-CD2 4.44Å; W268-F286 HydrophobicContact CB-CE2 4.37Å; W268-F286 HydrophobicContact CE3-CB 3.94Å; W268-F286 AromaticContact CE3-CD2 3.84Å; W268-F286 HydrophobicContact CE3-CD2 3.84Å; W268-F286 HydrophobicContact CE3-CG 4.21Å; W268-F286 HydrophobicContact CZ3-CB 3.93Å; W268-L288 HydrophobicContact CH2-CD1 3.84Å; W268-L288 HydrophobicContact CH2-CD2 4.41Å; W268-L288 HydrophobicContact CH2-CG 4.13Å; W268-L288 HydrophobicContact CZ3-CD1 4.22Å; W268-L288 HydrophobicContact CZ3-CD2 3.97Å; W268-L288 HydrophobicContact CZ3-CG 4.04Å
269N84.6Confident70.7Confident13 Ų1375.9 Ų75.97%0.0740%0.395CS..EExtended strand (participates in β ladder)trans-93.1141.5168.7-60.3-40.5000108.8V254 W255 N257 I278 N279 N280V254-N269 CarbonylContact C-O 3.58Å; V254-N269 WeakPolarHBondContact CA-O 3.38Å; W255-N269 HydrophobicContact CD2-CB 3.95Å; W255-N269 VanDerWaalsContact CE2-CB 3.43Å; W255-N269 HydrophobicContact CG-CB 4.36Å; W255-N269 HydrophobicContact CH2-CB 4.27Å; W255-N269 HydrophobicContact CZ2-CB 3.62Å; W255-N269 PolarHBondContact N-O 2.93Å; W255-N269 PolarHBondContact NE1-ND2 2.71Å; W255-N269 PolarHBondContact O-N 3.48Å; N257-N269 PolarHBondContact OD1-ND2 3.1Å; N257-N269 PolarHBondContact OD1-OD1 2.89Å; N269-I278 CarbonylContact C-O 3.39Å; N269-I278 WeakPolarHBondContact CA-O 3.42Å; N269-N279 WeakPolarHBondContact OD1-CA 3.36Å; N269-N280 PolarHBondContact OD1-N 2.99Å
270A87.3Confident71.8Confident0 Ų072.9 Ų72.90%038%0.383CS..EExtended strand (participates in β ladder)trans-128.3141.4178.800000110.9K253 V254 Q277 I278 F286K253-A270 CarbonylContact O-C 3.49Å; K253-A270 VanDerWaalsContact O-CA 3.27Å; K253-A270 WeakPolarHBondContact O-CA 3.37Å; V254-A270 HydrophobicContact CG1-CB 3.96Å; A270-Q277 CarbonylContact O-C 3.49Å; A270-Q277 VanDerWaalsContact O-CA 3.25Å; A270-Q277 WeakPolarHBondContact O-CA 3.43Å; A270-I278 HydrophobicContact CB-CB 4.4Å; A270-I278 PolarHBondContact N-O 3.04Å; A270-I278 PolarHBondContact O-N 2.57Å; A270-F286 HydrophobicContact CB-CE1 3.55Å; A270-F286 HydrophobicContact CB-CZ 3.6Å
271E88.4Confident73.5Confident43 Ų4364 Ų6420%0.20135%0.345CS..EExtended strand (participates in β ladder)trans-118.3127173.2-180-178.8179.900108.9K229 V252 K253 W255 E276 Q277K229-E271 IonicContact NZ-OE2 2.65Å; K229-E271 PolarHBondContact NZ-OE2 2.82Å; V252-E271 CarbonylContact C-O 3.55Å; V252-E271 WeakPolarHBondContact CA-O 3.45Å; K253-E271 HydrophobicContact CB-CB 4.41Å; K253-E271 PolarHBondContact N-O 2.88Å; K253-E271 PolarHBondContact O-N 2.93Å; W255-E271 HydrophobicContact CH2-CB 3.82Å; W255-E271 HydrophobicContact CZ3-CB 3.58Å; E271-E276 WeakPolarHBondContact CA-O 3.43Å; E271-Q277 HydrophobicContact CB-CG 4.28Å; E271-Q277 HydrophobicContact CG-CG 4.34Å
272V88.1Confident75.3Confident9 Ų961.6 Ų61.66%0.05534%0.335CS..  trans-84.9164.7177.2-173.60000109.2L240 V246 V252 N274 G275 E276L240-V272 HydrophobicContact CD1-CG2 4.43Å; L240-V272 HydrophobicContact CD2-CG2 3.76Å; V246-V272 HydrophobicContact CG1-CG1 4.41Å; V246-V272 HydrophobicContact CG1-CG2 4.15Å; V246-V272 HydrophobicContact CG2-CG1 4.43Å; V246-V272 HydrophobicContact CG2-CG2 3.5Å; V252-V272 HydrophobicContact CG1-CG2 4.21Å; V272-N274 WeakPolarHBondContact CB-OD1 3.34Å; V272-N274 PolarHBondContact O-N 3.1Å; V272-G275 PolarHBondContact O-N 3.03Å; V272-E276 PolarHBondContact N-O 3.06Å
273S82.8Confident77Confident111 Ų11159.6 Ų59.678%0.77632%0.321SS*.THydrogen-bonded Turntrans-57.6-19.818053.50000115.1G275S273-G275 VanDerWaalsContact C-N 3.29Å
274N79.2Confident78.8Confident79 Ų7952.9 Ų52.942%0.42229%0.294SS..THydrogen-bonded Turntrans-81.9-2.8174.264-2.1000113.4V272 E276V272-N274 WeakPolarHBondContact CB-OD1 3.34Å; V272-N274 PolarHBondContact O-N 3.1Å; N274-E276 VanDerWaalsContact C-N 3.29Å; N274-E276 WeakPolarHBondContact OD1-CB 3.41Å; N274-E276 PolarHBondContact OD1-N 2.89Å
275G79.7Confident80.7Confident36 Ų3647.8 Ų47.837%0.37127%0.267SS..SBendtrans83.7-2.7-176.600000114.4V272 S273V272-G275 PolarHBondContact O-N 3.03Å; S273-G275 VanDerWaalsContact C-N 3.29Å
276E82.6Confident82.1Confident57 Ų5742.1 Ų42.127%0.26624%0.241SC..  trans-71.6140.7174.8-65.9-170.4177.300110.7L240 S242 E271 V272 N274L240-E276 WeakPolarHBondContact CB-OE2 3.19Å; L240-E276 HydrophobicContact CD1-CB 4.49Å; L240-E276 VanDerWaalsContact CD1-OE2 3.32Å; L240-E276 WeakPolarHBondContact CD1-OE2 3.3Å; L240-E276 HydrophobicContact CD2-CB 3.89Å; S242-E276 VanDerWaalsContact CB-OE1 3.25Å; S242-E276 WeakPolarHBondContact CB-OE1 3.19Å; S242-E276 WeakPolarHBondContact CB-OE2 3.46Å; S242-E276 PolarHBondContact OG-OE1 3.22Å; S242-E276 PolarHBondContact OG-OE2 2.99Å; E271-E276 WeakPolarHBondContact CA-O 3.43Å; V272-E276 PolarHBondContact N-O 3.06Å; N274-E276 VanDerWaalsContact C-N 3.29Å; N274-E276 WeakPolarHBondContact OD1-CB 3.41Å; N274-E276 PolarHBondContact OD1-N 2.89Å
277Q85.8Confident83.2Confident83 Ų8341.5 Ų41.539%0.38823%0.231SC..EExtended strand (participates in β ladder)trans-111.3137.7-174.6-61.9-177.16.300111.5P241 W255 A270 E271P241-Q277 WeakPolarHBondContact CD-O 3.4Å; P241-Q277 WeakPolarHBondContact CG-O 3.4Å; W255-Q277 HydrophobicContact CH2-CG 4.11Å; A270-Q277 CarbonylContact O-C 3.49Å; A270-Q277 VanDerWaalsContact O-CA 3.25Å; A270-Q277 WeakPolarHBondContact O-CA 3.43Å; E271-Q277 HydrophobicContact CB-CG 4.28Å; E271-Q277 HydrophobicContact CG-CG 4.34Å
278I83.3Confident83.4Confident15 Ų1538 Ų388%0.07722%0.215CC..EExtended strand (participates in β ladder)trans-105.9114.7169.4-53171.5000106.5L238 L240 V246 N269 A270 A281L238-I278 HydrophobicContact CB-CD1 3.81Å; L238-I278 HydrophobicContact CD1-CD1 3.94Å; L238-I278 HydrophobicContact CD1-CG2 4.43Å; L240-I278 HydrophobicContact CD2-CD1 3.89Å; L240-I278 HydrophobicContact CD2-CG1 3.47Å; L240-I278 VanDerWaalsContact CD2-CG1 3.47Å; L240-I278 HydrophobicContact CG-CG1 4.49Å; V246-I278 HydrophobicContact CG2-CD1 4.11Å; N269-I278 CarbonylContact C-O 3.39Å; N269-I278 WeakPolarHBondContact CA-O 3.42Å; A270-I278 HydrophobicContact CB-CB 4.4Å; A270-I278 PolarHBondContact N-O 3.04Å; A270-I278 PolarHBondContact O-N 2.57Å; I278-A281 HydrophobicContact CG2-CB 3.84Å
279N82.2Confident83.1Confident101 Ų10140.1 Ų40.154%0.5423%0.23SC..EExtended strand (participates in β ladder)trans-92.6142.9177.3-62.1-25.4000110N269 A281N269-N279 WeakPolarHBondContact OD1-CA 3.36Å; N279-A281 PolarHBondContact O-N 3.27Å
280N78.7Confident82.2Confident83 Ų8341.6 Ų41.644%0.44424%0.241SC..EExtended strand (participates in β ladder)trans58.837.8174.7-54.2-21.8000114.9N257 N269N257-N280 PolarHBondContact ND2-OD1 3.31Å; N269-N280 PolarHBondContact OD1-N 2.99Å
281A82.4Confident80.9Confident5 Ų544 Ų444%0.04126%0.257CS..EExtended strand (participates in β ladder)trans-78.6139.2175.700000110.9L238 E267 W268 I278 N279 S283 F286L238-A281 HydrophobicContact CD1-CB 3.92Å; E267-A281 CarbonylContact C-O 3.5Å; E267-A281 VanDerWaalsContact CA-O 3.3Å; E267-A281 WeakPolarHBondContact CA-O 3.35Å; W268-A281 PolarHBondContact N-O 3.1Å; W268-A281 PolarHBondContact O-N 3.43Å; I278-A281 HydrophobicContact CG2-CB 3.84Å; N279-A281 PolarHBondContact O-N 3.27Å; A281-S283 PolarHBondContact O-N 2.84Å; A281-F286 HydrophobicContact CB-CE2 3.49Å; A281-F286 VanDerWaalsContact CB-CE2 3.49Å; A281-F286 HydrophobicContact CB-CZ 3.43Å; A281-F286 VanDerWaalsContact CB-CZ 3.43Å
282P82.8Confident79.1Confident44 Ų4445.6 Ų45.629%0.28626%0.264SS..EExtended strand (participates in β ladder)trans-54.9129.4177.8-27.135000112S266 I284 C285 F286S266-P282 CarbonylContact O-C 3.54Å; S266-P282 WeakPolarHBondContact O-CA 3.45Å; P282-I284 HydrophobicContact CB-CG2 3.96Å; P282-I284 PolarHBondContact O-N 3.3Å; P282-I284 VanDerWaalsContact O-N 3.09Å; P282-C285 VanDerWaalsContact O-CB 3.26Å; P282-C285 WeakPolarHBondContact O-CB 3.1Å; P282-C285 PolarHBondContact O-N 3.39Å; P282-F286 WeakPolarHBondContact O-CD2 3.27Å; P282-F286 WeakPolarHBondContact O-CE2 3.46Å
283S79.5Confident77.1Confident20 Ų2052.4 Ų52.414%0.1430%0.295CS..G310 helixtrans-57.8-30.1-178.162.90000111.6R222 H265 S266 A281 C285 F286R222-S283 PolarHBondContact NH2-O 2.86Å; H265-S283 PolarHBondContact O-OG 3.1Å; S266-S283 PolarHBondContact O-N 2.98Å; A281-S283 PolarHBondContact O-N 2.84Å; S283-C285 PolarHBondContact O-N 3.39Å; S283-F286 PolarHBondContact O-N 2.98Å; S283-F286 VanDerWaalsContact O-N 3.11Å
284I82.9Confident75Confident48 Ų4849.1 Ų49.125%0.24627%0.272CS..G310 helixtrans-59.6-24.7175.9-158.5152.9000113.8L132 I136 H139 P282 F286L132-I284 HydrophobicContact CD2-CG2 4.07Å; I136-I284 HydrophobicContact CB-CD1 4.24Å; I136-I284 HydrophobicContact CD1-CD1 4.29Å; I136-I284 HydrophobicContact CG1-CD1 3.24Å; I136-I284 HydrophobicContact CG1-CG1 4.24Å; H139-I284 VanDerWaalsContact CD2-CG1 3.47Å; H139-I284 WeakPolarHBondContact CD2-CG1 3.45Å; H139-I284 PolarHBondContact NE2-O 3.5Å; P282-I284 HydrophobicContact CB-CG2 3.96Å; P282-I284 PolarHBondContact O-N 3.3Å; P282-I284 VanDerWaalsContact O-N 3.09Å; I284-F286 PolarHBondContact O-N 3.45Å
285C87Confident73Confident0 Ų051 Ų510%029%0.289CS..G310 helixtrans-72.9-5.9177.7-610000113.7L132 L235 L238 P282 S283L132-C285 VanDerWaalsContact CD2-SG 3.52Å; L235-C285 PolarHBondContact N-O 2.85Å; L238-C285 HydrophobicContact CD1-CB 4.4Å; P282-C285 VanDerWaalsContact O-CB 3.26Å; P282-C285 WeakPolarHBondContact O-CB 3.1Å; P282-C285 PolarHBondContact O-N 3.39Å; S283-C285 PolarHBondContact O-N 3.39Å
286F86.4Confident70.9Confident0 Ų055.7 Ų55.70%030%0.304CS..EExtended strand (participates in β ladder)trans-123.7132.4-171.8-55.2-72.8000113.6R222 A232 Y233 L234 L238 V252 V254 W268 A270 A281 P282 S283 I284R222-F286 PolarHBondContact NH2-O 3.47Å; A232-F286 HydrophobicContact CB-CB 4.33Å; Y233-F286 CarbonylContact O-C 3.59Å; Y233-F286 WeakPolarHBondContact O-CA 3.17Å; L234-F286 HydrophobicContact CD1-CD1 3.85Å; L234-F286 HydrophobicContact CD1-CE1 3.47Å; L234-F286 VanDerWaalsContact CD1-CE1 3.47Å; L234-F286 HydrophobicContact CD1-CZ 4.31Å; L238-F286 HydrophobicContact CD1-CE1 4.28Å; L238-F286 HydrophobicContact CD1-CZ 3.91Å; V252-F286 HydrophobicContact CG2-CD1 3.86Å; V252-F286 HydrophobicContact CG2-CE1 4.06Å; V254-F286 HydrophobicContact CG1-CB 4.34Å; V254-F286 HydrophobicContact CG1-CD1 3.7Å; V254-F286 HydrophobicContact CG1-CD2 4.43Å; V254-F286 HydrophobicContact CG1-CE1 4.06Å; V254-F286 HydrophobicContact CG1-CG 3.9Å; W268-F286 HydrophobicContact CB-CD2 4.44Å; W268-F286 HydrophobicContact CB-CE2 4.37Å; W268-F286 HydrophobicContact CE3-CB 3.94Å; W268-F286 AromaticContact CE3-CD2 3.84Å; W268-F286 HydrophobicContact CE3-CD2 3.84Å; W268-F286 HydrophobicContact CE3-CG 4.21Å; W268-F286 HydrophobicContact CZ3-CB 3.93Å; A270-F286 HydrophobicContact CB-CE1 3.55Å; A270-F286 HydrophobicContact CB-CZ 3.6Å; A281-F286 HydrophobicContact CB-CE2 3.49Å; A281-F286 VanDerWaalsContact CB-CE2 3.49Å; A281-F286 HydrophobicContact CB-CZ 3.43Å; A281-F286 VanDerWaalsContact CB-CZ 3.43Å; P282-F286 WeakPolarHBondContact O-CD2 3.27Å; P282-F286 WeakPolarHBondContact O-CE2 3.46Å; S283-F286 PolarHBondContact O-N 2.98Å; S283-F286 VanDerWaalsContact O-N 3.11Å; I284-F286 PolarHBondContact O-N 3.45Å
287W86.1Confident68.5Low33 Ų3357.6 Ų57.613%0.12532%0.324CS..EExtended strand (participates in β ladder)trans-106.3112.6171.2-173.5-108.5000111.2F138 H139 K142 S218 I219 A232 Y233 L235F138-W287 HydrophobicContact CD1-CE3 4.22Å; F138-W287 HydrophobicContact CD1-CZ3 4.41Å; F138-W287 AromaticContact CE1-CD2 3.61Å; F138-W287 HydrophobicContact CE1-CD2 3.61Å; F138-W287 AromaticContact CE1-CE2 3.92Å; F138-W287 AromaticContact CE1-CE3 3.59Å; F138-W287 HydrophobicContact CE1-CE3 3.59Å; F138-W287 HydrophobicContact CE1-CG 4.09Å; F138-W287 HydrophobicContact CE1-CH2 4.16Å; F138-W287 HydrophobicContact CE1-CZ2 4.15Å; F138-W287 AromaticContact CE1-CZ3 3.9Å; F138-W287 HydrophobicContact CE1-CZ3 3.9Å; F138-W287 HydrophobicContact CZ-CD2 4.33Å; H139-W287 AromaticContact CE1-CE3 3.67Å; H139-W287 AromaticContact ND1-CE3 3.74Å; H139-W287 AromaticContact ND1-CZ3 3.58Å; K142-W287 HydrophobicContact CB-CH2 3.55Å; K142-W287 HydrophobicContact CB-CZ2 4.37Å; K142-W287 HydrophobicContact CB-CZ3 4.17Å; K142-W287 HydrophobicContact CD-CH2 4.07Å; K142-W287 HydrophobicContact CD-CZ2 4.05Å; K142-W287 HydrophobicContact CG-CH2 3.56Å; K142-W287 HydrophobicContact CG-CZ2 3.97Å; K142-W287 HydrophobicContact CG-CZ3 4.25Å; S218-W287 WeakPolarHBondContact OG-CH2 3.35Å; S218-W287 WeakPolarHBondContact OG-CZ2 3.46Å; I219-W287 HydrophobicContact CD1-CH2 4.31Å; I219-W287 HydrophobicContact CG1-CH2 3.57Å; I219-W287 HydrophobicContact CG1-CZ2 4.42Å; I219-W287 HydrophobicContact CG1-CZ3 4.26Å; A232-W287 CarbonylContact C-O 3.58Å; A232-W287 WeakPolarHBondContact CA-O 3.28Å; A232-W287 WeakPolarHBondContact CB-O 3.49Å; Y233-W287 PolarHBondContact N-O 3.42Å; Y233-W287 PolarHBondContact O-N 3.48Å; L235-W287 HydrophobicContact CD1-CB 4.11Å; L235-W287 HydrophobicContact CD2-CB 4.13Å; L235-W287 HydrophobicContact CG-CB 4.1Å
288L81.1Confident66Low2 Ų260.8 Ų60.81%0.0134%0.343CS..EExtended strand (participates in β ladder)trans-68.8134.2-179.1-64.1172.9000111.2S218 L221 R222 L225 H230 A232 V254 W268S218-L288 WeakPolarHBondContact CB-O 3.27Å; L221-L288 HydrophobicContact CB-CB 4.19Å; L221-L288 HydrophobicContact CB-CD1 3.55Å; L221-L288 HydrophobicContact CD1-CB 4.03Å; L221-L288 WeakPolarHBondContact O-CD1 3.49Å; R222-L288 HydrophobicContact CG-CD1 4.44Å; L225-L288 HydrophobicContact CD2-CD1 3.88Å; L225-L288 HydrophobicContact CD2-CD2 3.85Å; H230-L288 HydrophobicContact CB-CD2 3.93Å; A232-L288 HydrophobicContact CB-CD2 4.16Å; V254-L288 HydrophobicContact CG2-CD2 3.42Å; V254-L288 VanDerWaalsContact CG2-CD2 3.42Å; W268-L288 HydrophobicContact CH2-CD1 3.84Å; W268-L288 HydrophobicContact CH2-CD2 4.41Å; W268-L288 HydrophobicContact CH2-CG 4.13Å; W268-L288 HydrophobicContact CZ3-CD1 4.22Å; W268-L288 HydrophobicContact CZ3-CD2 3.97Å; W268-L288 HydrophobicContact CZ3-CG 4.04Å
289T75.4Confident63.8Low61 Ų6168.9 Ų68.937%0.37438%0.378SS..EExtended strand (participates in β ladder)trans-115.5-33.3-175.9600000112.7S231 Y233S231-T289 VanDerWaalsContact C-OG1 3.23Å; S231-T289 WeakPolarHBondContact CB-OG1 3.31Å; S231-T289 PolarHBondContact O-N 2.86Å; S231-T289 PolarHBondContact O-OG1 3.17Å; Y233-T289 HydrophobicContact CD2-CG2 3.16Å; Y233-T289 HydrophobicContact CE2-CG2 3.16Å; Y233-T289 HydrophobicContact CG-CG2 4.02Å
290S65Low61.7Low44 Ų4468.4 Ų68.431%0.30838%0.383SS..EExtended strand (participates in β ladder)trans-147.7132.9179.6-176.60000110S231 E292S231-S290 PolarHBondContact N-O 3.06Å; S231-S290 PolarHBondContact O-N 3.19Å; S290-E292 VanDerWaalsContact C-N 3.33Å; S290-E292 PolarHBondContact O-N 2.91Å
291P59.1Low59.7Low49 Ų4971.4 Ų71.432%0.31840%0.399SS..  trans-71.693.8161.230.2-28.3000108L221 H230L221-P291 HydrophobicContact CD2-CB 4.07Å; L221-P291 HydrophobicContact CD2-CG 4.22Å; H230-P291 WeakPolarHBondContact ND1-CA 3.4Å
292E51.3Low57.4Low77 Ų7776.9 Ų76.936%0.3642%0.423SS..  trans-86.7112.3166.5-79.7176.5-146.600106.8K229 S231 S290 S294K229-E292 VanDerWaalsContact O-CB 3.25Å; K229-E292 WeakPolarHBondContact O-CB 3.35Å; S231-E292 VanDerWaalsContact OG-CD 3.22Å; S231-E292 PolarHBondContact OG-OE1 3.32Å; S290-E292 VanDerWaalsContact C-N 3.33Å; S290-E292 PolarHBondContact O-N 2.91Å; E292-S294 PolarHBondContact O-N 3.4Å; E292-S294 VanDerWaalsContact O-N 3.13Å
293H45.5Very low55.1Low153 Ų15383.1 Ų83.171%0.70845%0.453SS*.  trans-65.7112159-70.1-69.6000105.9
294S38.8Very low53.2Low41 Ų4191.7 Ų91.729%0.28749%0.491SS..  trans-48.2137.2167.9-79.20000108.9K229 E292 I296K229-S294 VanDerWaalsContact CB-OG 3.29Å; K229-S294 WeakPolarHBondContact CB-OG 3.5Å; K229-S294 WeakPolarHBondContact CG-OG 3.44Å; K229-S294 PolarHBondContact N-OG 3.42Å; E292-S294 PolarHBondContact O-N 3.4Å; E292-S294 VanDerWaalsContact O-N 3.13Å; S294-I296 PolarHBondContact O-N 3.43Å
295P36.8Very low51Low120 Ų12093.6 Ų93.678%0.77951%0.509SS*.  trans-55.3124.3171.223.9-30.8000107.1S297P295-S297 PolarHBondContact O-N 2.91Å
296I36.2Very low48.3Very low134 Ų13497.2 Ų97.269%0.68753%0.533SS*.  trans-41.6101.8177-62.5157.3000107.3S294 D298 K299S294-I296 PolarHBondContact O-N 3.43Å; I296-D298 PolarHBondContact O-N 3.18Å; I296-K299 HydrophobicContact CG2-CG 4.03Å
297S32.4Very low45.9Very low97 Ų97106.5 Ų106.568%0.67858%0.577SS**  trans-60.4133.6175.656.10000107.4P295P295-S297 PolarHBondContact O-N 2.91Å
298D33.4Very low43.4Very low149 Ų149111.5 Ų111.580%0.79761%0.606SS**  trans-24.1123.3-167.2-69.7-50000116.4I296 S300I296-D298 PolarHBondContact O-N 3.18Å; D298-S300 PolarHBondContact O-N 2.98Å
299K36.3Very low41.1Very low185 Ų185116.2 Ų116.280%0.80463%0.628SS**THydrogen-bonded Turntrans-64.235.5-179.4-71.4-175.6171.1-179.10115.1I296I296-K299 HydrophobicContact CG2-CG 4.03Å
300S38.3Very low39.1Very low92 Ų92122.1 Ų122.164%0.64365%0.651SS**THydrogen-bonded Turntrans-90.4-29.4175.778.80000113.7D298D298-S300 PolarHBondContact O-N 2.98Å
301N36.5Very low37.5Very low146 Ų146125.5 Ų125.578%0.78167%0.666SS**SBendtrans-124.912-165.3-65.24.1000116.8
302Q33.6Very low36.3Very low120 Ų120129.4 Ų129.456%0.56168%0.678SS**  trans-120.829.3179.2-71-167.122.400115E304Q302-E304 PolarHBondContact O-N 2.92Å
303L35.9Very low35.4Very low174 Ų174133.9 Ų133.991%0.91170%0.699SS**THydrogen-bonded Turntrans-74.64.4177.8-146.681.2000114.9
304E40.1Very low34.9Very low201 Ų201130.4 Ų130.494%0.93969%0.688SS**THydrogen-bonded Turntrans-122.39.9-178.6-82-169.5158.800116.6Q302Q302-E304 PolarHBondContact O-N 2.92Å
305S35.6Very low34.7Very low87 Ų87133.9 Ų133.961%0.60870%0.703SS**SBendtrans-129.13.2176.557.30000117.4E307S305-E307 PolarHBondContact O-N 3.18Å
306C29.9Very low34.7Very low77 Ų77130.3 Ų130.352%0.5269%0.688SS.*THydrogen-bonded Turntrans-10050.3-175.3-67.80000115.1
307E36.2Very low34.8Very low194 Ų194130.3 Ų130.391%0.90769%0.685SS**THydrogen-bonded Turntrans-100.83.6165.6-77.8-164165.500114S305S305-E307 PolarHBondContact O-N 3.18Å
308N35Very low35.2Very low138 Ų138129.9 Ų129.974%0.73868%0.679SS**SBendtrans-1179.6-176.2-71.4-25.2000115.9
309E32.2Very low36Very low101 Ų101125 Ų12547%0.47266%0.656SS.*G310 helixtrans-91.21.7-175.4-77.4-164155.500116.6Q227 N311Q227-E309 PolarHBondContact NE2-OE1 3.26Å; Q227-E309 VanDerWaalsContact NE2-OE1 3.1Å; E309-N311 PolarHBondContact O-N 3.12Å; E309-N311 VanDerWaalsContact O-N 3.16Å
310E32.7Very low37.4Very low185 Ų185117.6 Ų117.686%0.86463%0.627SS**G310 helixtrans-73.8-1.5178.1-77.1-170.2163.400114.9
311N31.6Very low39.1Very low116 Ų116113.4 Ų113.462%0.6260%0.598SS**G310 helixtrans-95.5-10.1-176.1-74-28.5000115.7E309 T314E309-N311 PolarHBondContact O-N 3.12Å; E309-N311 VanDerWaalsContact O-N 3.16Å; N311-T314 PolarHBondContact O-OG1 2.91Å
312F34.4Very low41.1Very low130 Ų130110.6 Ų110.657%0.5758%0.579SS**Hα-helixtrans-94.9-27.6-173.2-74.4-77.1000114.9T314 L315 G316F312-T314 VanDerWaalsContact C-N 3.25Å; F312-T314 PolarHBondContact O-N 3.13Å; F312-L315 PolarHBondContact O-N 3.19Å; F312-G316 PolarHBondContact O-N 2.94Å
313E31.6Very low43.2Very low172 Ų172106.5 Ų106.580%0.80456%0.561SS**Hα-helixtrans-63.8-33.5175.6-74.9-172.9159.300111.7E317E313-E317 PolarHBondContact O-N 3.11Å
314T36Very low45.3Very low79 Ų7999 Ų9949%0.48552%0.523SS..Hα-helixtrans-72.4-30.917752.60000113N311 F312 E317 V318N311-T314 PolarHBondContact O-OG1 2.91Å; F312-T314 VanDerWaalsContact C-N 3.25Å; F312-T314 PolarHBondContact O-N 3.13Å; T314-E317 PolarHBondContact O-N 3.18Å; T314-V318 WeakPolarHBondContact O-CG2 3.3Å; T314-V318 PolarHBondContact O-N 2.88Å; T314-V318 VanDerWaalsContact O-N 3.11Å
315L33.7Very low47.5Very low114 Ų11489.6 Ų89.660%0.59748%0.478SS*.Hα-helixtrans-67.7-38176.8-114.1105.6000112.4F312 E317 V318 S319F312-L315 PolarHBondContact O-N 3.19Å; L315-E317 VanDerWaalsContact C-N 3.3Å; L315-E317 PolarHBondContact O-N 2.9Å; L315-V318 PolarHBondContact O-N 3.27Å; L315-S319 PolarHBondContact O-N 3.18Å; L315-S319 PolarHBondContact O-OG 3.02Å
316G37.4Very low49.8Very low45 Ų4590 Ų9046%0.46447%0.469SS..Hα-helixtrans-65.8-33.2175.600000112.9F312 S320F312-G316 PolarHBondContact O-N 2.94Å; G316-S320 PolarHBondContact O-N 3.48Å
317E38.3Very low52.4Low134 Ų13491.8 Ų91.863%0.62647%0.465SS*.Hα-helixtrans-75.8-31.6176.2-74.7-169.5163.500113.4E313 T314 L315 N323E313-E317 PolarHBondContact O-N 3.11Å; T314-E317 PolarHBondContact O-N 3.18Å; L315-E317 VanDerWaalsContact C-N 3.3Å; L315-E317 PolarHBondContact O-N 2.9Å; E317-N323 PolarHBondContact O-ND2 3.29Å
318V41.6Very low55Low89 Ų8982.6 Ų82.654%0.53942%0.422SS..Hα-helixtrans-80.7-28.8-179.2178.30000112.2T314 L315T314-V318 WeakPolarHBondContact O-CG2 3.3Å; T314-V318 PolarHBondContact O-N 2.88Å; T314-V318 VanDerWaalsContact O-N 3.11Å; L315-V318 PolarHBondContact O-N 3.27Å
319S50.2Low57.5Low46 Ų4677.4 Ų77.432%0.32239%0.393SS..Hα-helixtrans-102.1-16.7-168.859.60000116.2F220 L315 T321F220-S319 WeakPolarHBondContact CE1-O 3.5Å; F220-S319 VanDerWaalsContact CE2-O 3.25Å; F220-S319 WeakPolarHBondContact CE2-O 3.29Å; F220-S319 WeakPolarHBondContact CZ-O 3.37Å; L315-S319 PolarHBondContact O-N 3.18Å; L315-S319 PolarHBondContact O-OG 3.02Å; S319-T321 PolarHBondContact O-N 3.26Å
320S65.2Low60.2Low29 Ų2979.6 Ų79.620%0.20340%0.401CS..  trans-62.1136.3-173.482.50000113.2G316 K322 N323 V324G316-S320 PolarHBondContact O-N 3.48Å; S320-K322 PolarHBondContact O-N 2.78Å; S320-K322 VanDerWaalsContact O-N 3.08Å; S320-N323 WeakPolarHBondContact O-CA 3.34Å; S320-N323 WeakPolarHBondContact O-CB 2.99Å; S320-N323 PolarHBondContact O-N 3.17Å; S320-N323 WeakPolarHBondContact OG-CB 3.49Å; S320-N323 PolarHBondContact OG-N 3.07Å; S320-N323 PolarHBondContact OG-ND2 2.83Å; S320-V324 PolarHBondContact O-N 2.9Å; S320-V324 VanDerWaalsContact O-N 3.16Å
321T74.4Confident62.9Low5 Ų573.6 Ų73.63%0.03138%0.375CS..Hα-helixtrans-47.8-38173.343.30000111.9Y146 F149 S213 M216 F220 S319 N323 V324 C325Y146-T321 HydrophobicContact CE2-CG2 4.39Å; F149-T321 HydrophobicContact CD1-CG2 4.23Å; F149-T321 HydrophobicContact CE1-CG2 3.65Å; F149-T321 HydrophobicContact CZ-CG2 4.32Å; S213-T321 PolarHBondContact O-OG1 2.91Å; M216-T321 HydrophobicContact CB-CG2 3.79Å; F220-T321 HydrophobicContact CD2-CG2 4.13Å; F220-T321 HydrophobicContact CE2-CG2 3.5Å; F220-T321 VanDerWaalsContact CE2-CG2 3.5Å; S319-T321 PolarHBondContact O-N 3.26Å; T321-N323 VanDerWaalsContact C-N 3.34Å; T321-N323 PolarHBondContact O-N 3.2Å; T321-V324 PolarHBondContact O-N 3.32Å; T321-C325 PolarHBondContact O-N 3.1Å; T321-C325 PolarHBondContact O-SG 3.24Å
322K78.2Confident65.8Low86 Ų8668.1 Ų68.137%0.37435%0.346SS..Hα-helixtrans-62.4-39.1177.2-169.5173.3-177.5178.40111.9S320 C325 K326 D448S320-K322 PolarHBondContact O-N 2.78Å; S320-K322 VanDerWaalsContact O-N 3.08Å; K322-C325 WeakPolarHBondContact O-CB 3.31Å; K322-C325 PolarHBondContact O-N 3.27Å; K322-K326 WeakPolarHBondContact O-CG 3.43Å; K322-K326 PolarHBondContact O-N 2.89Å; K322-D448 IonicContact NZ-OD1 3.38Å; K322-D448 IonicContact NZ-OD2 3.92Å; K322-D448 PolarHBondContact NZ-OD2 2.91Å
323N77Confident68.6Low35 Ų3563 Ų6319%0.18732%0.323CS..Hα-helixtrans-72.7-34.9178.7-67.7-22.9000112E317 S320 T321 C325 K326 R327E317-N323 PolarHBondContact O-ND2 3.29Å; S320-N323 WeakPolarHBondContact O-CA 3.34Å; S320-N323 WeakPolarHBondContact O-CB 2.99Å; S320-N323 PolarHBondContact O-N 3.17Å; S320-N323 WeakPolarHBondContact OG-CB 3.49Å; S320-N323 PolarHBondContact OG-N 3.07Å; S320-N323 PolarHBondContact OG-ND2 2.83Å; T321-N323 VanDerWaalsContact C-N 3.34Å; T321-N323 PolarHBondContact O-N 3.2Å; N323-C325 VanDerWaalsContact C-N 3.34Å; N323-K326 PolarHBondContact O-N 3.01Å; N323-R327 VanDerWaalsContact O-CG 3.31Å; N323-R327 WeakPolarHBondContact O-CG 3.3Å; N323-R327 PolarHBondContact O-N 3.02Å
324V81Confident71.4Confident17 Ų1757.4 Ų57.410%0.10330%0.303CS..Hα-helixtrans-60.3-45.7170.71800000110.5I153 S320 T321 K326 R327 F328I153-V324 HydrophobicContact CD1-CG1 3.88Å; I153-V324 HydrophobicContact CG2-CG1 3.95Å; S320-V324 PolarHBondContact O-N 2.9Å; S320-V324 VanDerWaalsContact O-N 3.16Å; T321-V324 PolarHBondContact O-N 3.32Å; V324-K326 PolarHBondContact O-N 3.32Å; V324-R327 PolarHBondContact O-N 3.09Å; V324-F328 PolarHBondContact O-N 2.85Å
325C85.5Confident74.1Confident2 Ų253.8 Ų53.81%0.01428%0.281CS..Hα-helixtrans-60.5-44.8173.4-69.50000112.8L210 T321 K322 N323 R327 F328 H329L210-C325 HydrophobicContact CD2-CB 3.95Å; T321-C325 PolarHBondContact O-N 3.1Å; T321-C325 PolarHBondContact O-SG 3.24Å; K322-C325 WeakPolarHBondContact O-CB 3.31Å; K322-C325 PolarHBondContact O-N 3.27Å; N323-C325 VanDerWaalsContact C-N 3.34Å; C325-R327 VanDerWaalsContact C-N 3.32Å; C325-R327 PolarHBondContact O-N 3.3Å; C325-F328 PolarHBondContact O-N 2.82Å; C325-H329 WeakPolarHBondContact O-CB 3.47Å; C325-H329 PolarHBondContact O-N 3.43Å
326K84.5Confident76.9Confident95 Ų9548.5 Ų48.541%0.41325%0.253SS..Hα-helixtrans-61.1-39.7177.5-76.2-179.9175.7-171.60112.2K322 N323 V324 H329 K330K322-K326 WeakPolarHBondContact O-CG 3.43Å; K322-K326 PolarHBondContact O-N 2.89Å; N323-K326 PolarHBondContact O-N 3.01Å; V324-K326 PolarHBondContact O-N 3.32Å; K326-H329 WeakPolarHBondContact O-CB 3.3Å; K326-H329 PolarHBondContact O-N 3.18Å; K326-K330 PolarHBondContact O-N 2.9Å
327R84.6Confident79.5Confident116 Ų11651.7 Ų51.744%0.43825%0.254SS..Hα-helixtrans-67-47.3176.1-67.7176-174.6178.14.1110.9N323 V324 C325 H329 K330 D331N323-R327 VanDerWaalsContact O-CG 3.31Å; N323-R327 WeakPolarHBondContact O-CG 3.3Å; N323-R327 PolarHBondContact O-N 3.02Å; V324-R327 PolarHBondContact O-N 3.09Å; C325-R327 VanDerWaalsContact C-N 3.32Å; C325-R327 PolarHBondContact O-N 3.3Å; R327-H329 PolarHBondContact O-N 3.37Å; R327-K330 WeakPolarHBondContact O-CB 3.22Å; R327-K330 PolarHBondContact O-N 3.28Å; R327-K330 VanDerWaalsContact O-N 3.08Å; R327-D331 PolarHBondContact O-N 3.3Å; R327-D331 VanDerWaalsContact O-OD2 3.14Å
328F89.6Confident81.9Confident1 Ų149.4 Ų49.40%0.00425%0.245CC..Hα-helixtrans-54.4-43.3174175.2-109000112.2I153 A156 R157 I160 T206 F209 V324 C325 K330 D331 L332I153-F328 HydrophobicContact CG2-CB 4.2Å; I153-F328 HydrophobicContact CG2-CD2 4.4Å; I153-F328 HydrophobicContact CG2-CG 4.4Å; A156-F328 HydrophobicContact CB-CE2 3.58Å; A156-F328 HydrophobicContact CB-CZ 3.68Å; R157-F328 HydrophobicContact CG-CD2 3.65Å; R157-F328 HydrophobicContact CG-CE2 4.21Å; I160-F328 HydrophobicContact CD1-CD2 4.06Å; I160-F328 HydrophobicContact CD1-CE2 3.47Å; I160-F328 VanDerWaalsContact CD1-CE2 3.47Å; I160-F328 HydrophobicContact CD1-CZ 4.13Å; T206-F328 HydrophobicContact CG2-CD1 4.42Å; T206-F328 VanDerWaalsContact OG1-CE1 3.27Å; T206-F328 WeakPolarHBondContact OG1-CE1 3.31Å; F209-F328 AromaticContact CD2-CD1 3.9Å; F209-F328 HydrophobicContact CD2-CD1 3.9Å; F209-F328 AromaticContact CD2-CE1 3.76Å; F209-F328 HydrophobicContact CD2-CE1 3.76Å; F209-F328 HydrophobicContact CD2-CZ 4.47Å; F209-F328 HydrophobicContact CE2-CD1 4.22Å; F209-F328 AromaticContact CE2-CE1 3.77Å; F209-F328 HydrophobicContact CE2-CE1 3.77Å; F209-F328 HydrophobicContact CE2-CZ 4.03Å; V324-F328 PolarHBondContact O-N 2.85Å; C325-F328 PolarHBondContact O-N 2.82Å; F328-K330 PolarHBondContact O-N 2.98Å; F328-D331 PolarHBondContact O-N 3.06Å; F328-L332 WeakPolarHBondContact O-CB 3.43Å; F328-L332 PolarHBondContact O-N 3.09Å
329H88.7Confident84.2Confident28 Ų2845.1 Ų45.113%0.1322%0.219CC..Hα-helixtrans-56.6-51.5174.8-159.695.5000111.7T206 C325 K326 R327 D331 L332 Y333 T441T206-H329 WeakPolarHBondContact CG2-ND1 3.28Å; C325-H329 WeakPolarHBondContact O-CB 3.47Å; C325-H329 PolarHBondContact O-N 3.43Å; K326-H329 WeakPolarHBondContact O-CB 3.3Å; K326-H329 PolarHBondContact O-N 3.18Å; R327-H329 PolarHBondContact O-N 3.37Å; H329-D331 VanDerWaalsContact C-N 3.3Å; H329-D331 PolarHBondContact O-N 3.36Å; H329-L332 PolarHBondContact O-N 2.99Å; H329-Y333 AromaticContact CD2-CD2 3.42Å; H329-Y333 VanDerWaalsContact CD2-CD2 3.42Å; H329-Y333 WeakPolarHBondContact CD2-CD2 3.39Å; H329-Y333 AromaticContact CD2-CE2 3.31Å; H329-Y333 WeakPolarHBondContact CD2-CE2 3.39Å; H329-Y333 AromaticContact CE1-CE2 3.38Å; H329-Y333 WeakPolarHBondContact CE1-CE2 3.5Å; H329-Y333 AromaticContact CG-CD2 3.95Å; H329-Y333 AromaticContact CG-CE2 3.67Å; H329-Y333 AromaticContact ND1-CE2 3.67Å; H329-Y333 AromaticContact NE2-CD2 3.66Å; H329-Y333 AromaticContact NE2-CE2 3.11Å; H329-Y333 WeakPolarHBondContact NE2-CE2 3.44Å; H329-Y333 AromaticContact NE2-CZ 3.98Å; H329-Y333 WeakPolarHBondContact O-CD2 3.24Å; H329-Y333 PolarHBondContact O-N 2.92Å; H329-Y333 VanDerWaalsContact O-N 3.09Å; H329-T441 VanDerWaalsContact CE1-CB 3.45Å; H329-T441 WeakPolarHBondContact CE1-CB 3.45Å; H329-T441 WeakPolarHBondContact CE1-CG2 3.22Å; H329-T441 WeakPolarHBondContact NE2-CB 3.43Å; H329-T441 PolarHBondContact NE2-OG1 2.81Å
330K88.6Confident86.1Confident147 Ų14743 Ų4364%0.63920%0.204SC*.Hα-helixtrans-58.1-43.6177.9-173.8-176.9177.2-174.20111.5K326 R327 F328 S334K326-K330 PolarHBondContact O-N 2.9Å; R327-K330 WeakPolarHBondContact O-CB 3.22Å; R327-K330 PolarHBondContact O-N 3.28Å; R327-K330 VanDerWaalsContact O-N 3.08Å; F328-K330 PolarHBondContact O-N 2.98Å; K330-S334 WeakPolarHBondContact O-CB 3.05Å; K330-S334 PolarHBondContact O-N 3.34Å; K330-S334 PolarHBondContact O-OG 2.87Å
331D89.5Confident87.2Confident60 Ų6044.8 Ų44.832%0.32121%0.212SC..Hα-helixtrans-62.9-45179.6-57.4-26.5000110.8R157 R327 F328 H329 S334 S335R157-D331 IonicContact CZ-OD2 2.69Å; R157-D331 VanDerWaalsContact CZ-OD2 3.29Å; R157-D331 IonicContact NE-OD2 2.67Å; R157-D331 PolarHBondContact NE-OD2 3.5Å; R157-D331 IonicContact NH2-OD2 3.1Å; R157-D331 PolarHBondContact NH2-OD2 3.5Å; R327-D331 PolarHBondContact O-N 3.3Å; R327-D331 VanDerWaalsContact O-OD2 3.14Å; F328-D331 PolarHBondContact O-N 3.06Å; H329-D331 VanDerWaalsContact C-N 3.3Å; H329-D331 PolarHBondContact O-N 3.36Å; D331-S334 PolarHBondContact O-N 2.93Å; D331-S335 VanDerWaalsContact O-CB 3.26Å; D331-S335 WeakPolarHBondContact O-CB 3.45Å; D331-S335 PolarHBondContact O-N 3.45Å
332L92.5Very high87.9Confident0 Ų045.3 Ų45.30%021%0.214CC..Hα-helixtrans-59.3-54.7178.6179.665.8000112.2I160 Y199 L202 T206 F328 H329 S334 S335 W336I160-L332 HydrophobicContact CD1-CB 3.99Å; I160-L332 HydrophobicContact CD1-CD1 4Å; I160-L332 HydrophobicContact CG1-CD1 4.25Å; Y199-L332 HydrophobicContact CD1-CD1 3.73Å; Y199-L332 HydrophobicContact CE1-CD1 4.18Å; L202-L332 HydrophobicContact CB-CD1 3.63Å; L202-L332 HydrophobicContact CB-CD2 4.4Å; L202-L332 HydrophobicContact CD1-CD1 4.01Å; L202-L332 HydrophobicContact CG-CD1 4.48Å; T206-L332 WeakPolarHBondContact OG1-CD2 3.42Å; F328-L332 WeakPolarHBondContact O-CB 3.43Å; F328-L332 PolarHBondContact O-N 3.09Å; H329-L332 PolarHBondContact O-N 2.99Å; L332-S334 PolarHBondContact O-N 3.34Å; L332-S335 PolarHBondContact O-N 3.19Å; L332-W336 WeakPolarHBondContact O-CB 3.49Å; L332-W336 PolarHBondContact O-N 3.1Å
333Y92.4Very high88.4Confident23 Ų2341.2 Ų41.29%0.0920%0.196CC..Hα-helixtrans-71.7-30.9-177.3-68.9-71.3000112.8H329 W336 K337 F434 A437 V438 T441H329-Y333 AromaticContact CD2-CD2 3.42Å; H329-Y333 VanDerWaalsContact CD2-CD2 3.42Å; H329-Y333 WeakPolarHBondContact CD2-CD2 3.39Å; H329-Y333 AromaticContact CD2-CE2 3.31Å; H329-Y333 WeakPolarHBondContact CD2-CE2 3.39Å; H329-Y333 AromaticContact CE1-CE2 3.38Å; H329-Y333 WeakPolarHBondContact CE1-CE2 3.5Å; H329-Y333 AromaticContact CG-CD2 3.95Å; H329-Y333 AromaticContact CG-CE2 3.67Å; H329-Y333 AromaticContact ND1-CE2 3.67Å; H329-Y333 AromaticContact NE2-CD2 3.66Å; H329-Y333 AromaticContact NE2-CE2 3.11Å; H329-Y333 WeakPolarHBondContact NE2-CE2 3.44Å; H329-Y333 AromaticContact NE2-CZ 3.98Å; H329-Y333 WeakPolarHBondContact O-CD2 3.24Å; H329-Y333 PolarHBondContact O-N 2.92Å; H329-Y333 VanDerWaalsContact O-N 3.09Å; Y333-W336 HydrophobicContact CD1-CE3 4.31Å; Y333-W336 HydrophobicContact CE1-CE3 4.32Å; Y333-W336 HydrophobicContact CE1-CZ3 4.44Å; Y333-K337 VanDerWaalsContact O-CB 3.29Å; Y333-K337 WeakPolarHBondContact O-CB 3.47Å; Y333-K337 PolarHBondContact O-N 2.97Å; Y333-F434 HydrophobicContact CD1-CD2 4.1Å; Y333-F434 AromaticContact CD1-CE2 3.8Å; Y333-F434 HydrophobicContact CD1-CE2 3.8Å; Y333-F434 HydrophobicContact CG-CE2 4.48Å; Y333-A437 HydrophobicContact CE1-CB 3.8Å; Y333-A437 PolarHBondContact OH-O 2.76Å; Y333-V438 HydrophobicContact CD1-CG2 3.46Å; Y333-V438 VanDerWaalsContact CD1-CG2 3.46Å; Y333-V438 HydrophobicContact CE1-CG2 3.62Å; Y333-V438 HydrophobicContact CG-CG2 4.18Å; Y333-T441 WeakPolarHBondContact OH-CG2 3.36Å
334S91.1Very high88.9Confident55 Ų5539.8 Ų39.839%0.38519%0.189SC..Hα-helixtrans-64.5-45.7173-58.50000110.5K330 D331 L332 K337 I338K330-S334 WeakPolarHBondContact O-CB 3.05Å; K330-S334 PolarHBondContact O-N 3.34Å; K330-S334 PolarHBondContact O-OG 2.87Å; D331-S334 PolarHBondContact O-N 2.93Å; L332-S334 PolarHBondContact O-N 3.34Å; S334-K337 PolarHBondContact O-N 2.92Å; S334-I338 VanDerWaalsContact O-CG1 3.29Å; S334-I338 WeakPolarHBondContact O-CG1 3.4Å; S334-I338 PolarHBondContact O-N 3.14Å
335S91.1Very high89.1Confident2 Ų245.7 Ų45.71%0.01421%0.214CC..Hα-helixtrans-62.2-46.7176.1178.40000112.1L164 Y199 D331 L332 K337 I338 A339L164-S335 WeakPolarHBondContact CD2-OG 3.45Å; L164-S335 WeakPolarHBondContact CG-OG 2.83Å; Y199-S335 PolarHBondContact OH-O 3.26Å; Y199-S335 VanDerWaalsContact OH-O 3.13Å; Y199-S335 PolarHBondContact OH-OG 3.47Å; D331-S335 VanDerWaalsContact O-CB 3.26Å; D331-S335 WeakPolarHBondContact O-CB 3.45Å; D331-S335 PolarHBondContact O-N 3.45Å; L332-S335 PolarHBondContact O-N 3.19Å; S335-K337 VanDerWaalsContact C-N 3.33Å; S335-K337 PolarHBondContact O-N 3.05Å; S335-I338 WeakPolarHBondContact O-CB 3.28Å; S335-I338 PolarHBondContact O-N 3.44Å; S335-I338 VanDerWaalsContact O-N 3.13Å; S335-A339 PolarHBondContact O-N 3.02Å
336W94.1Very high89.1Confident3 Ų346.2 Ų46.21%0.01122%0.216CC..Hα-helixtrans-61.1-41.4177.8-164.3-9.2000111.7L196 Y199 L332 Y333 I338 A339 I340 F430 K433 F434 A437L196-W336 HydrophobicContact CD1-CZ2 4.23Å; Y199-W336 HydrophobicContact CD1-CB 3.77Å; Y199-W336 HydrophobicContact CD1-CD2 4.15Å; Y199-W336 HydrophobicContact CD1-CE3 4.39Å; Y199-W336 AromaticContact CD1-CG 3.91Å; Y199-W336 HydrophobicContact CD1-CG 3.91Å; Y199-W336 HydrophobicContact CD2-CB 4.45Å; Y199-W336 AromaticContact CD2-CD1 3.86Å; Y199-W336 HydrophobicContact CD2-CD2 4.4Å; Y199-W336 HydrophobicContact CD2-CG 4.02Å; Y199-W336 HydrophobicContact CE1-CB 3.73Å; Y199-W336 HydrophobicContact CE1-CG 4.26Å; Y199-W336 HydrophobicContact CE2-CB 4.41Å; Y199-W336 HydrophobicContact CE2-CG 4.35Å; Y199-W336 HydrophobicContact CG-CB 4.16Å; Y199-W336 AromaticContact CG-CD2 3.86Å; Y199-W336 HydrophobicContact CG-CD2 3.86Å; Y199-W336 HydrophobicContact CG-CE3 4.32Å; Y199-W336 AromaticContact CG-CG 3.79Å; Y199-W336 HydrophobicContact CG-CG 3.79Å; Y199-W336 PolarHBondContact OH-N 2.94Å; L332-W336 WeakPolarHBondContact O-CB 3.49Å; L332-W336 PolarHBondContact O-N 3.1Å; Y333-W336 HydrophobicContact CD1-CE3 4.31Å; Y333-W336 HydrophobicContact CE1-CE3 4.32Å; Y333-W336 HydrophobicContact CE1-CZ3 4.44Å; W336-I338 VanDerWaalsContact C-N 3.34Å; W336-I338 PolarHBondContact O-N 3.36Å; W336-A339 WeakPolarHBondContact O-CB 3.18Å; W336-A339 PolarHBondContact O-N 3.16Å; W336-I340 WeakPolarHBondContact O-CG1 3.48Å; W336-I340 PolarHBondContact O-N 3.35Å; W336-F430 AromaticContact CD1-CE2 3.52Å; W336-F430 AromaticContact CD1-CZ 3.31Å; W336-F430 AromaticContact CE2-CE2 3.86Å; W336-F430 HydrophobicContact CZ2-CD2 4.48Å; W336-F430 HydrophobicContact CZ2-CE2 4.41Å; W336-F430 AromaticContact NE1-CD2 3.43Å; W336-F430 AromaticContact NE1-CE1 3.96Å; W336-F430 AromaticContact NE1-CE2 2.92Å; W336-F430 AromaticContact NE1-CZ 3.23Å; W336-K433 HydrophobicContact CH2-CB 4.27Å; W336-K433 HydrophobicContact CZ2-CB 4.02Å; W336-F434 HydrophobicContact CB-CD2 3.98Å; W336-F434 HydrophobicContact CB-CE2 4.28Å; W336-F434 HydrophobicContact CD2-CB 4.01Å; W336-F434 AromaticContact CD2-CD2 3.66Å; W336-F434 HydrophobicContact CD2-CD2 3.66Å; W336-F434 HydrophobicContact CD2-CG 4.33Å; W336-F434 AromaticContact CE3-CD2 3.94Å; W336-F434 HydrophobicContact CE3-CD2 3.94Å; W336-F434 HydrophobicContact CG-CB 4.43Å; W336-F434 AromaticContact CG-CD2 3.67Å; W336-F434 HydrophobicContact CG-CD2 3.67Å; W336-F434 HydrophobicContact CG-CE2 4.44Å; W336-F434 HydrophobicContact CG-CG 4.45Å; W336-F434 HydrophobicContact CH2-CB 4.43Å; W336-F434 HydrophobicContact CZ2-CB 3.91Å; W336-A437 HydrophobicContact CH2-CB 3.95Å; W336-A437 HydrophobicContact CZ3-CB 3.59Å
337K90.7Very high89.2Confident112 Ų11241.7 Ų41.749%0.48720%0.197SC..Hα-helixtrans-62.5-39.7175-173.3177.2-178.8-179.50112.4Y333 S334 S335 A339 I340 N341 F434Y333-K337 VanDerWaalsContact O-CB 3.29Å; Y333-K337 WeakPolarHBondContact O-CB 3.47Å; Y333-K337 PolarHBondContact O-N 2.97Å; S334-K337 PolarHBondContact O-N 2.92Å; S335-K337 VanDerWaalsContact C-N 3.33Å; S335-K337 PolarHBondContact O-N 3.05Å; K337-A339 VanDerWaalsContact C-N 3.31Å; K337-I340 PolarHBondContact O-N 2.06Å; K337-N341 PolarHBondContact O-N 2.88Å; K337-N341 VanDerWaalsContact O-N 3.11Å; K337-N341 PolarHBondContact O-ND2 2.99Å; K337-F434 HydrophobicContact CB-CE2 4.36Å; K337-F434 HydrophobicContact CB-CZ 4.22Å
338I89.8Confident89.2Confident86 Ų8637.1 Ų37.144%0.44118%0.18SC..Hα-helixtrans-60.8-43.7174.5-68.2163.1000110.2L164 Y167 S334 S335 W336 I340 N341 L342L164-I338 HydrophobicContact CD2-CD1 4.08Å; L164-I338 HydrophobicContact CD2-CG2 4.44Å; Y167-I338 HydrophobicContact CD2-CG2 3.94Å; Y167-I338 HydrophobicContact CE2-CG2 4.11Å; S334-I338 VanDerWaalsContact O-CG1 3.29Å; S334-I338 WeakPolarHBondContact O-CG1 3.4Å; S334-I338 PolarHBondContact O-N 3.14Å; S335-I338 WeakPolarHBondContact O-CB 3.28Å; S335-I338 PolarHBondContact O-N 3.44Å; S335-I338 VanDerWaalsContact O-N 3.13Å; W336-I338 VanDerWaalsContact C-N 3.34Å; W336-I338 PolarHBondContact O-N 3.36Å; I338-I340 PolarHBondContact O-N 2.86Å; I338-N341 PolarHBondContact O-N 2.87Å; I338-L342 WeakPolarHBondContact O-CB 3.48Å; I338-L342 PolarHBondContact O-N 3.09Å
339A90.1Very high88.8Confident0 Ų039.6 Ų39.60%020%0.196CC..Hα-helixtrans-56.5-50.7176.500000112.3Y167 Y199 S335 W336 K337 N341 L342 F343 F430Y167-A339 HydrophobicContact CE1-CB 4.38Å; Y167-A339 HydrophobicContact CE2-CB 4.09Å; Y167-A339 WeakPolarHBondContact OH-CB 3.43Å; Y199-A339 HydrophobicContact CE2-CB 3.88Å; S335-A339 PolarHBondContact O-N 3.02Å; W336-A339 WeakPolarHBondContact O-CB 3.18Å; W336-A339 PolarHBondContact O-N 3.16Å; K337-A339 VanDerWaalsContact C-N 3.31Å; A339-N341 VanDerWaalsContact C-N 3.3Å; A339-N341 PolarHBondContact O-N 2.89Å; A339-L342 WeakPolarHBondContact O-CB 3.29Å; A339-L342 PolarHBondContact O-N 2.84Å; A339-F343 WeakPolarHBondContact O-CD2 3.43Å; A339-F343 PolarHBondContact O-N 3.49Å; A339-F430 HydrophobicContact CB-CE1 3.87Å; A339-F430 HydrophobicContact CB-CZ 3.79Å
340I90.1Very high88.4Confident1 Ų139 Ų391%0.00520%0.195CC..Hα-helixtrans-58.7-44.9-179.5-68.5166.3000110.4W336 K337 I338 A344 Y386 W427 F430 L431 F434W336-I340 WeakPolarHBondContact O-CG1 3.48Å; W336-I340 PolarHBondContact O-N 3.35Å; K337-I340 PolarHBondContact O-N 2.06Å; I338-I340 PolarHBondContact O-N 2.86Å; I340-A344 WeakPolarHBondContact O-CB 3.49Å; I340-A344 PolarHBondContact O-N 3.32Å; I340-Y386 HydrophobicContact CG2-CE2 4.37Å; I340-W427 HydrophobicContact CG2-CZ2 4.08Å; I340-W427 PolarHBondContact O-NE1 2.72Å; I340-F430 HydrophobicContact CB-CE1 4.34Å; I340-F430 HydrophobicContact CG1-CD1 3.56Å; I340-F430 HydrophobicContact CG1-CE1 3.44Å; I340-F430 VanDerWaalsContact CG1-CE1 3.44Å; I340-F430 HydrophobicContact CG1-CG 4.43Å; I340-F430 HydrophobicContact CG1-CZ 4.24Å; I340-L431 HydrophobicContact CD1-CD1 4.2Å; I340-L431 HydrophobicContact CG2-CD1 4.13Å; I340-F434 HydrophobicContact CD1-CB 3.55Å; I340-F434 HydrophobicContact CD1-CD1 3.85Å; I340-F434 HydrophobicContact CD1-CD2 4.11Å; I340-F434 HydrophobicContact CD1-CG 3.57Å
341N88.5Confident88.1Confident67 Ų6732 Ų3236%0.35816%0.164SC..Hα-helixtrans-63.4-41.7177.6-74.5-30.7000112.5K337 I338 A339 A344 K345 Y386K337-N341 PolarHBondContact O-N 2.88Å; K337-N341 VanDerWaalsContact O-N 3.11Å; K337-N341 PolarHBondContact O-ND2 2.99Å; I338-N341 PolarHBondContact O-N 2.87Å; A339-N341 VanDerWaalsContact C-N 3.3Å; A339-N341 PolarHBondContact O-N 2.89Å; N341-A344 PolarHBondContact O-N 3.34Å; N341-K345 WeakPolarHBondContact O-CB 3.38Å; N341-K345 PolarHBondContact O-N 3.4Å; N341-Y386 WeakPolarHBondContact OD1-CE1 3.02Å; N341-Y386 PolarHBondContact OD1-OH 2.95Å
342L88.1Confident87.6Confident16 Ų1630 Ų308%0.08416%0.155CC..Hα-helixtrans-61.3-51.8179.1-179.869.8000110.7Y167 I170 Q171 I338 A339 A344 K345 I346Y167-L342 HydrophobicContact CD1-CD2 3.81Å; Y167-L342 HydrophobicContact CD2-CD2 4.49Å; Y167-L342 HydrophobicContact CG-CD2 3.75Å; I170-L342 HydrophobicContact CB-CD2 4.32Å; I170-L342 HydrophobicContact CG2-CD2 4.1Å; Q171-L342 HydrophobicContact CB-CD1 4.22Å; Q171-L342 HydrophobicContact CG-CD1 4.44Å; I338-L342 WeakPolarHBondContact O-CB 3.48Å; I338-L342 PolarHBondContact O-N 3.09Å; A339-L342 WeakPolarHBondContact O-CB 3.29Å; A339-L342 PolarHBondContact O-N 2.84Å; L342-A344 VanDerWaalsContact C-N 3.35Å; L342-A344 PolarHBondContact O-N 3.41Å; L342-K345 WeakPolarHBondContact O-CB 3.14Å; L342-K345 PolarHBondContact O-N 3.47Å; L342-I346 HydrophobicContact CD1-CD1 4.3Å; L342-I346 HydrophobicContact CG-CD1 4.01Å; L342-I346 WeakPolarHBondContact O-CG1 3.48Å; L342-I346 PolarHBondContact O-N 2.9Å
343F88.9Confident86.9Confident0 Ų031.4 Ų31.40%016%0.164CC..Hα-helixtrans-66.4-36.8179.8-69.5-62.8000112.5I170 V188 M191 I192 Q195 A339 K345 I346 L347 F430I170-F343 HydrophobicContact CD1-CZ 4.24Å; I170-F343 HydrophobicContact CG2-CE1 4.37Å; V188-F343 HydrophobicContact CG1-CD1 4.19Å; M191-F343 HydrophobicContact CB-CE1 4.24Å; M191-F343 HydrophobicContact CB-CZ 4.31Å; I192-F343 HydrophobicContact CD1-CB 4.26Å; I192-F343 HydrophobicContact CD1-CD1 4.2Å; I192-F343 HydrophobicContact CD1-CG 4.16Å; I192-F343 HydrophobicContact CG1-CB 4.29Å; I192-F343 HydrophobicContact CG1-CD1 3.7Å; I192-F343 HydrophobicContact CG1-CD2 3.86Å; I192-F343 HydrophobicContact CG1-CE1 3.9Å; I192-F343 HydrophobicContact CG1-CE2 4.06Å; I192-F343 HydrophobicContact CG1-CG 3.69Å; I192-F343 HydrophobicContact CG1-CZ 4.08Å; Q195-F343 HydrophobicContact CB-CE2 4.44Å; Q195-F343 HydrophobicContact CG-CE2 4.07Å; Q195-F343 HydrophobicContact CG-CZ 4.12Å; A339-F343 WeakPolarHBondContact O-CD2 3.43Å; A339-F343 PolarHBondContact O-N 3.49Å; F343-K345 VanDerWaalsContact C-N 3.35Å; F343-K345 PolarHBondContact O-N 2.89Å; F343-I346 PolarHBondContact O-N 2.95Å; F343-L347 WeakPolarHBondContact O-CG 2.82Å; F343-L347 PolarHBondContact O-N 2.89Å; F343-F430 HydrophobicContact CD2-CE1 4.18Å
344A87.4Confident86.2Confident5 Ų531.9 Ų31.94%0.04117%0.166CC..Hα-helixtrans-57.6-50.8172.200000110.2I340 N341 L342 I346 L347 M348 L383 Y386 W427I340-A344 WeakPolarHBondContact O-CB 3.49Å; I340-A344 PolarHBondContact O-N 3.32Å; N341-A344 PolarHBondContact O-N 3.34Å; L342-A344 VanDerWaalsContact C-N 3.35Å; L342-A344 PolarHBondContact O-N 3.41Å; A344-I346 VanDerWaalsContact C-N 3.27Å; A344-I346 PolarHBondContact O-N 3.23Å; A344-L347 PolarHBondContact O-N 2.98Å; A344-L347 VanDerWaalsContact O-N 3.09Å; A344-M348 VanDerWaalsContact O-CG 3.25Å; A344-M348 WeakPolarHBondContact O-CG 3.11Å; A344-M348 PolarHBondContact O-N 3Å; A344-L383 HydrophobicContact CB-CD1 4.04Å; A344-Y386 HydrophobicContact CB-CD1 3.8Å; A344-Y386 HydrophobicContact CB-CE1 3.86Å; A344-W427 HydrophobicContact CB-CZ2 3.84Å
345K85.7Confident85.5Confident141 Ų14129.3 Ų29.361%0.61315%0.148SC*.Hα-helixtrans-58.4-36.3178.7-173.7-178.6176.8-172.90113.1N341 L342 F343 P349N341-K345 WeakPolarHBondContact O-CB 3.38Å; N341-K345 PolarHBondContact O-N 3.4Å; L342-K345 WeakPolarHBondContact O-CB 3.14Å; L342-K345 PolarHBondContact O-N 3.47Å; F343-K345 VanDerWaalsContact C-N 3.35Å; F343-K345 PolarHBondContact O-N 2.89Å; K345-P349 WeakPolarHBondContact O-CD 3.39Å
346I85Confident84.8Confident13 Ų1334.1 Ų34.17%0.06717%0.168CC..Hα-helixtrans-70.5-37.7177.2-68.7166.5000111.4I170 L174 L180 V188 L342 F343 A344I170-I346 HydrophobicContact CG2-CD1 3.71Å; L174-I346 HydrophobicContact CB-CD1 4.45Å; L174-I346 HydrophobicContact CB-CG2 4.2Å; L180-I346 HydrophobicContact CD1-CG2 4.06Å; L180-I346 HydrophobicContact CD2-CG2 4.29Å; V188-I346 HydrophobicContact CG2-CG2 4.2Å; L342-I346 HydrophobicContact CD1-CD1 4.3Å; L342-I346 HydrophobicContact CG-CD1 4.01Å; L342-I346 WeakPolarHBondContact O-CG1 3.48Å; L342-I346 PolarHBondContact O-N 2.9Å; F343-I346 PolarHBondContact O-N 2.95Å; A344-I346 VanDerWaalsContact C-N 3.27Å; A344-I346 PolarHBondContact O-N 3.23Å
347L85.9Confident83.9Confident0 Ų040.3 Ų40.30%020%0.195CC..Hα-helixtrans-81.1-27.9-177.6-68.4171.4000113.9L180 L185 V188 F343 A344 T350 C351 L383 T423 W427L180-L347 HydrophobicContact CD1-CD2 3.9Å; L185-L347 HydrophobicContact CD2-CD2 4.01Å; V188-L347 HydrophobicContact CG1-CD2 4.1Å; V188-L347 HydrophobicContact CG1-CG 4.48Å; F343-L347 WeakPolarHBondContact O-CG 2.82Å; F343-L347 PolarHBondContact O-N 2.89Å; A344-L347 PolarHBondContact O-N 2.98Å; A344-L347 VanDerWaalsContact O-N 3.09Å; L347-T350 PolarHBondContact O-N 3.42Å; L347-C351 PolarHBondContact O-N 2.9Å; L347-C351 VanDerWaalsContact O-N 3.12Å; L347-C351 PolarHBondContact O-SG 2.95Å; L347-L383 HydrophobicContact CB-CD2 3.88Å; L347-T423 HydrophobicContact CD1-CG2 4.34Å; L347-T423 HydrophobicContact CD2-CG2 3.78Å; L347-W427 HydrophobicContact CD1-CB 4.06Å; L347-W427 HydrophobicContact CD1-CG 4.23Å
348M84.9Confident83Confident20 Ų2035.2 Ų35.210%0.09917%0.174CC..Hα-helixtrans-55.8-45.6-174.8-74.8-51.9-78.200114.9A344 T350 C351 T352 L383 L384 N388A344-M348 VanDerWaalsContact O-CG 3.25Å; A344-M348 WeakPolarHBondContact O-CG 3.11Å; A344-M348 PolarHBondContact O-N 3Å; M348-T350 VanDerWaalsContact C-N 3.34Å; M348-T350 PolarHBondContact O-N 2.99Å; M348-C351 PolarHBondContact O-N 3.13Å; M348-T352 HydrophobicContact CE-CG2 4.42Å; M348-T352 WeakPolarHBondContact O-CB 3.38Å; M348-T352 VanDerWaalsContact O-CG2 3.29Å; M348-T352 WeakPolarHBondContact O-CG2 3.06Å; M348-T352 PolarHBondContact O-N 3.47Å; M348-T352 PolarHBondContact O-OG1 3.46Å; M348-L383 HydrophobicContact SD-CD1 4.08Å; M348-L383 HydrophobicContact SD-CD2 4.14Å; M348-L383 HydrophobicContact SD-CG 3.68Å; M348-L384 HydrophobicContact CE-CD2 4Å; M348-N388 HydrophobicContact CE-CB 3.37Å; M348-N388 VanDerWaalsContact CE-ND2 3.32Å; M348-N388 WeakPolarHBondContact CE-ND2 3.12Å; M348-N388 WeakPolarHBondContact CE-OD1 3.22Å
349P82.4Confident82.2Confident52 Ų5235 Ų3534%0.33817%0.171SC..Hα-helixtrans-59.9-42.5-179.1-25.235.7000112.9K345 T352 S353K345-P349 WeakPolarHBondContact O-CD 3.39Å; P349-T352 WeakPolarHBondContact CA-OG1 3.31Å; P349-T352 PolarHBondContact O-OG1 3.48Å; P349-S353 VanDerWaalsContact O-CB 3.24Å; P349-S353 WeakPolarHBondContact O-CB 3.2Å; P349-S353 PolarHBondContact O-N 3.31Å
350T80.6Confident81.2Confident16 Ų1641 Ų4110%0.09820%0.203CC..Hα-helixtrans-65.4-43.5177.4-50.50000111.2L180 L347 M348 Y354 L420L180-T350 HydrophobicContact CB-CG2 4.38Å; L180-T350 WeakPolarHBondContact CB-OG1 2.99Å; L180-T350 WeakPolarHBondContact CG-OG1 3.49Å; L180-T350 PolarHBondContact N-OG1 3.47Å; L347-T350 PolarHBondContact O-N 3.42Å; M348-T350 VanDerWaalsContact C-N 3.34Å; M348-T350 PolarHBondContact O-N 2.99Å; T350-Y354 WeakPolarHBondContact O-CB 3.23Å; T350-Y354 PolarHBondContact O-N 3.18Å; T350-L420 HydrophobicContact CG2-CD1 4.17Å
351C80.4Confident80.1Confident0 Ų042 Ų420%021%0.208CC..Hα-helixtrans-65.1-46.6178.7-63.30000112.2L347 M348 S353 Y354 I355 L380 L383L347-C351 PolarHBondContact O-N 2.9Å; L347-C351 VanDerWaalsContact O-N 3.12Å; L347-C351 PolarHBondContact O-SG 2.95Å; M348-C351 PolarHBondContact O-N 3.13Å; C351-S353 PolarHBondContact O-N 2.9Å; C351-Y354 PolarHBondContact O-N 2.89Å; C351-I355 WeakPolarHBondContact O-CG1 3.45Å; C351-I355 PolarHBondContact O-N 3.03Å; C351-L380 HydrophobicContact CB-CD2 4.07Å; C351-L383 HydrophobicContact CB-CD2 4.38Å; C351-L383 WeakPolarHBondContact SG-CD2 3.33Å
352T80Confident78.6Confident19 Ų1946 Ų4612%0.11723%0.229CC..Hα-helixtrans-65.1-39.4178.954.20000112.2M348 P349 Y354 I355 K356 N388 E391M348-T352 HydrophobicContact CE-CG2 4.42Å; M348-T352 WeakPolarHBondContact O-CB 3.38Å; M348-T352 VanDerWaalsContact O-CG2 3.29Å; M348-T352 WeakPolarHBondContact O-CG2 3.06Å; M348-T352 PolarHBondContact O-N 3.47Å; M348-T352 PolarHBondContact O-OG1 3.46Å; P349-T352 WeakPolarHBondContact CA-OG1 3.31Å; P349-T352 PolarHBondContact O-OG1 3.48Å; T352-Y354 VanDerWaalsContact C-N 3.35Å; T352-I355 PolarHBondContact O-N 3.43Å; T352-K356 WeakPolarHBondContact O-CB 3.17Å; T352-K356 WeakPolarHBondContact O-CG 3.5Å; T352-K356 PolarHBondContact O-N 3.22Å; T352-N388 VanDerWaalsContact CG2-ND2 3.25Å; T352-N388 WeakPolarHBondContact CG2-ND2 3.24Å; T352-E391 HydrophobicContact CG2-CB 4.46Å; T352-E391 HydrophobicContact CG2-CG 3.9Å
353S78.5Confident77.2Confident28 Ų2849.5 Ų49.520%0.19625%0.245CC..Hα-helixtrans-61.7-42.7173.7179.10000111.9L179 P349 C351 K356 K357L179-S353 WeakPolarHBondContact CD2-OG 3.32Å; P349-S353 VanDerWaalsContact O-CB 3.24Å; P349-S353 WeakPolarHBondContact O-CB 3.2Å; P349-S353 PolarHBondContact O-N 3.31Å; C351-S353 PolarHBondContact O-N 2.9Å; S353-K356 PolarHBondContact O-N 3.09Å; S353-K357 WeakPolarHBondContact O-CB 2.76Å; S353-K357 VanDerWaalsContact O-CG 3.3Å; S353-K357 WeakPolarHBondContact O-CG 3.45Å; S353-K357 PolarHBondContact O-N 3.17Å
354Y75.9Confident75.7Confident33 Ų3352.6 Ų52.613%0.12927%0.265CS..Hα-helixtrans-62.6-44.2175.7-173.3-82.6000111.9T350 C351 T352 K357 L358 F376 L380 V412T350-Y354 WeakPolarHBondContact O-CB 3.23Å; T350-Y354 PolarHBondContact O-N 3.18Å; C351-Y354 PolarHBondContact O-N 2.89Å; T352-Y354 VanDerWaalsContact C-N 3.35Å; Y354-K357 WeakPolarHBondContact O-CB 3.48Å; Y354-K357 PolarHBondContact O-N 2.76Å; Y354-L358 HydrophobicContact CD1-CD1 4.01Å; Y354-L358 HydrophobicContact CD1-CG 4.14Å; Y354-L358 HydrophobicContact CE1-CD1 3.41Å; Y354-L358 VanDerWaalsContact CE1-CD1 3.41Å; Y354-L358 HydrophobicContact CE1-CD2 4.19Å; Y354-L358 HydrophobicContact CE1-CG 3.69Å; Y354-L358 PolarHBondContact O-N 3.43Å; Y354-F376 AromaticContact CD1-CE1 3.83Å; Y354-F376 HydrophobicContact CD1-CE1 3.83Å; Y354-F376 AromaticContact CD1-CZ 3.79Å; Y354-F376 HydrophobicContact CD1-CZ 3.79Å; Y354-F376 HydrophobicContact CE1-CD1 4.43Å; Y354-F376 AromaticContact CE1-CE1 3.26Å; Y354-F376 HydrophobicContact CE1-CE1 3.26Å; Y354-F376 AromaticContact CE1-CZ 3.61Å; Y354-F376 HydrophobicContact CE1-CZ 3.61Å; Y354-F376 HydrophobicContact CE2-CZ 4.43Å; Y354-F376 HydrophobicContact CG-CZ 4.32Å; Y354-F376 AromaticContact CZ-CE1 3.69Å; Y354-F376 AromaticContact CZ-CZ 3.92Å; Y354-L380 HydrophobicContact CD1-CD1 4.4Å; Y354-V412 VanDerWaalsContact OH-CG1 3.25Å; Y354-V412 WeakPolarHBondContact OH-CG1 3.5Å
355I77.2Confident74.4Confident1 Ų152.9 Ų52.91%0.00527%0.266CS..Hα-helixtrans-64.1-43.5178-65.9161.8000111.4C351 T352 K357 L358 E359 L380 L384 E391 L395 L398C351-I355 WeakPolarHBondContact O-CG1 3.45Å; C351-I355 PolarHBondContact O-N 3.03Å; T352-I355 PolarHBondContact O-N 3.43Å; I355-K357 VanDerWaalsContact C-N 3.3Å; I355-K357 PolarHBondContact O-N 2.86Å; I355-L358 CarbonylContact O-C 3.59Å; I355-L358 WeakPolarHBondContact O-CB 3.3Å; I355-L358 PolarHBondContact O-N 2.95Å; I355-L358 VanDerWaalsContact O-N 3.08Å; I355-E359 PolarHBondContact O-N 3.4Å; I355-L380 HydrophobicContact CG1-CD1 4.39Å; I355-L384 HydrophobicContact CD1-CD1 3.3Å; I355-L384 HydrophobicContact CD1-CD2 3.72Å; I355-L384 HydrophobicContact CD1-CG 3.99Å; I355-E391 HydrophobicContact CD1-CB 4.28Å; I355-L395 HydrophobicContact CG1-CD1 4.36Å; I355-L398 HydrophobicContact CG2-CD1 4.3Å
356K77Confident73.1Confident103 Ų10347.6 Ų47.645%0.44824%0.244SC..Hα-helixtrans-62.5-38.5175.3-73.7175.4-178.1173.70111.9T352 S353 L358 E359 N360 E391T352-K356 WeakPolarHBondContact O-CB 3.17Å; T352-K356 WeakPolarHBondContact O-CG 3.5Å; T352-K356 PolarHBondContact O-N 3.22Å; S353-K356 PolarHBondContact O-N 3.09Å; K356-L358 VanDerWaalsContact C-N 3.29Å; K356-L358 PolarHBondContact O-N 3.34Å; K356-E359 PolarHBondContact O-N 2.88Å; K356-N360 WeakPolarHBondContact O-CB 2.81Å; K356-N360 VanDerWaalsContact O-CG 3.22Å; K356-N360 PolarHBondContact O-N 2.74Å; K356-N360 VanDerWaalsContact O-N 3.08Å; K356-N360 PolarHBondContact O-ND2 3.5Å; K356-E391 IonicContact NZ-OE1 2.64Å
357K74.3Confident72Confident133 Ų13348.4 Ų48.458%0.57825%0.25SC*.Hα-helixtrans-61.1-38.8172.4-76175.4-176-178.50111.4S353 Y354 I355 I361S353-K357 WeakPolarHBondContact O-CB 2.76Å; S353-K357 VanDerWaalsContact O-CG 3.3Å; S353-K357 WeakPolarHBondContact O-CG 3.45Å; S353-K357 PolarHBondContact O-N 3.17Å; Y354-K357 WeakPolarHBondContact O-CB 3.48Å; Y354-K357 PolarHBondContact O-N 2.76Å; I355-K357 VanDerWaalsContact C-N 3.3Å; I355-K357 PolarHBondContact O-N 2.86Å; K357-I361 WeakPolarHBondContact O-CD1 3.4Å; K357-I361 VanDerWaalsContact O-CG1 3.26Å; K357-I361 WeakPolarHBondContact O-CG1 3.16Å
358L72.5Confident70.8Confident6 Ų653.2 Ų53.23%0.03127%0.272CS..Hα-helixtrans-71.9-37.9175.2-69.9-174000113.3Y354 I355 K356 I361 I365 F373 L377 L398Y354-L358 HydrophobicContact CD1-CD1 4.01Å; Y354-L358 HydrophobicContact CD1-CG 4.14Å; Y354-L358 HydrophobicContact CE1-CD1 3.41Å; Y354-L358 VanDerWaalsContact CE1-CD1 3.41Å; Y354-L358 HydrophobicContact CE1-CD2 4.19Å; Y354-L358 HydrophobicContact CE1-CG 3.69Å; Y354-L358 PolarHBondContact O-N 3.43Å; I355-L358 CarbonylContact O-C 3.59Å; I355-L358 WeakPolarHBondContact O-CB 3.3Å; I355-L358 PolarHBondContact O-N 2.95Å; I355-L358 VanDerWaalsContact O-N 3.08Å; K356-L358 VanDerWaalsContact C-N 3.29Å; K356-L358 PolarHBondContact O-N 3.34Å; L358-I361 HydrophobicContact CD2-CD1 4.25Å; L358-I361 PolarHBondContact O-N 3.2Å; L358-I365 HydrophobicContact CB-CD1 4.48Å; L358-I365 HydrophobicContact CD2-CD1 4.13Å; L358-F373 HydrophobicContact CD1-CE2 4.34Å; L358-F373 HydrophobicContact CD1-CZ 4.11Å; L358-L377 HydrophobicContact CD1-CD2 4.46Å; L358-L398 HydrophobicContact CB-CD1 3.82Å; L358-L398 HydrophobicContact CD1-CD1 4.45Å
359E71.8Confident69.9Low81 Ų8155.4 Ų55.438%0.37928%0.284SS..Hα-helixtrans-63.1-42.6178.8-176.2-179.3-164.600112.1I355 K356 I361 T394I355-E359 PolarHBondContact O-N 3.4Å; K356-E359 PolarHBondContact O-N 2.88Å; E359-I361 PolarHBondContact O-N 3.28Å; E359-I361 VanDerWaalsContact O-N 3.11Å; E359-T394 HydrophobicContact CG-CG2 4.06Å; E359-T394 WeakPolarHBondContact OE1-CG2 3.25Å; E359-T394 WeakPolarHBondContact OE2-CG2 3.49Å
360N69.7Low69.2Low125 Ų12556.6 Ų56.667%0.66829%0.294SS*.THydrogen-bonded Turntrans-68.7-4.5179.7-69.4-22.1000113.9K356 D362K356-N360 WeakPolarHBondContact O-CB 2.81Å; K356-N360 VanDerWaalsContact O-CG 3.22Å; K356-N360 PolarHBondContact O-N 2.74Å; K356-N360 VanDerWaalsContact O-N 3.08Å; K356-N360 PolarHBondContact O-ND2 3.5Å; N360-D362 PolarHBondContact O-N 2.85Å
361I66.7Low68.8Low22 Ų2261 Ų6111%0.11331%0.313CS..  trans-87.6102.6175.9-57.1170.4000107.8K357 L358 E359 Q363 I365 R401 I410K357-I361 WeakPolarHBondContact O-CD1 3.4Å; K357-I361 VanDerWaalsContact O-CG1 3.26Å; K357-I361 WeakPolarHBondContact O-CG1 3.16Å; L358-I361 HydrophobicContact CD2-CD1 4.25Å; L358-I361 PolarHBondContact O-N 3.2Å; E359-I361 PolarHBondContact O-N 3.28Å; E359-I361 VanDerWaalsContact O-N 3.11Å; I361-Q363 HydrophobicContact CG2-CB 4.12Å; I361-Q363 WeakPolarHBondContact CG2-O 3.49Å; I361-Q363 PolarHBondContact O-N 3.22Å; I361-I365 HydrophobicContact CG2-CG1 4.46Å; I361-R401 PolarHBondContact O-NH1 2.99Å; I361-I410 HydrophobicContact CD1-CB 4.48Å; I361-I410 HydrophobicContact CD1-CD1 3.69Å; I361-I410 HydrophobicContact CD1-CG2 4.38Å; I361-I410 HydrophobicContact CG1-CD1 3.74Å; I361-I410 HydrophobicContact CG2-CD1 4.27Å
362D58.3Low68.2Low152 Ų15264.6 Ų64.681%0.81333%0.33SS*.  trans-69.8-20.1173.9-71.8-31.2000112.5N360N360-D362 PolarHBondContact O-N 2.85Å
363Q57.3Low67.7Low89 Ų8963.9 Ų63.942%0.41633%0.325SS..SBendtrans-84.8154.4-177.9-64.9-178.5-1200111.8I361 I365 T408I361-Q363 HydrophobicContact CG2-CB 4.12Å; I361-Q363 WeakPolarHBondContact CG2-O 3.49Å; I361-Q363 PolarHBondContact O-N 3.22Å; Q363-I365 PolarHBondContact O-N 3.06Å; Q363-T408 VanDerWaalsContact CD-OG1 3.31Å; Q363-T408 PolarHBondContact NE2-OG1 2.97Å; Q363-T408 PolarHBondContact OE1-O 3.45Å; Q363-T408 PolarHBondContact OE1-OG1 3.45Å
364P57.5Low67.4Low65 Ų6565.4 Ų65.442%0.42233%0.331SS..PPolyproline II helixtrans-60.8125.4174.125.1-32.8000110.5I366 K404P364-I366 PolarHBondContact O-N 3Å; P364-K404 WeakPolarHBondContact CB-O 3.36Å; P364-K404 WeakPolarHBondContact CG-O 3.38Å
365I60.7Low67.4Low11 Ų1166.8 Ų66.86%0.05634%0.341CS..PPolyproline II helixtrans-69.3117.6177.4-58.8162.2000107.8L358 I361 Q363 V367 F373 Y403 V412L358-I365 HydrophobicContact CB-CD1 4.48Å; L358-I365 HydrophobicContact CD2-CD1 4.13Å; I361-I365 HydrophobicContact CG2-CG1 4.46Å; Q363-I365 PolarHBondContact O-N 3.06Å; I365-V367 HydrophobicContact CG2-CG2 4.04Å; I365-F373 HydrophobicContact CG2-CZ 4.4Å; I365-Y403 HydrophobicContact CB-CD1 4.02Å; I365-Y403 HydrophobicContact CB-CE1 4.14Å; I365-Y403 HydrophobicContact CD1-CE1 4.44Å; I365-Y403 VanDerWaalsContact O-CD1 3.28Å; I365-Y403 WeakPolarHBondContact O-CD1 3.3Å; I365-V412 HydrophobicContact CG2-CG2 4.05Å
366I59.2Low67.4Low31 Ų3166.8 Ų66.816%0.15934%0.341CS..EExtended strand (participates in β ladder)trans-94.6123.8174.2-62.3174.1000107.8P364 V409P364-I366 PolarHBondContact O-N 3Å; I366-V409 HydrophobicContact CB-CG1 4.1Å; I366-V409 HydrophobicContact CD1-CB 4.49Å; I366-V409 HydrophobicContact CD1-CG1 3.99Å; I366-V409 HydrophobicContact CD1-CG2 3.84Å
367V60.8Low67.3Low30 Ų3062.2 Ų62.218%0.18232%0.322CS..EExtended strand (participates in β ladder)trans-112.1131.7-176.1-1760000108.5I365 D369 F373I365-V367 HydrophobicContact CG2-CG2 4.04Å; V367-D369 VanDerWaalsContact CG1-C 3.44Å; V367-D369 WeakPolarHBondContact CG1-O 3.4Å; V367-F373 HydrophobicContact CB-CB 4.35Å; V367-F373 HydrophobicContact CB-CG 4.47Å; V367-F373 HydrophobicContact CG1-CB 3.29Å; V367-F373 HydrophobicContact CG1-CD1 4.44Å; V367-F373 HydrophobicContact CG1-CD2 4.3Å; V367-F373 HydrophobicContact CG1-CG 3.8Å; V367-F373 HydrophobicContact CG2-CB 4.17Å; V367-F373 HydrophobicContact CG2-CD1 3.74Å; V367-F373 HydrophobicContact CG2-CD2 4.16Å; V367-F373 HydrophobicContact CG2-CE1 4.09Å; V367-F373 HydrophobicContact CG2-CG 3.76Å; V367-F373 HydrophobicContact CG2-CZ 4.47Å
368E60.5Low67.6Low101 Ų10159.9 Ų59.947%0.47232%0.315SS..SBendtrans-62.7-43.1175.6-73.9169.9-176.800112H411 K414E368-H411 IonicContact OE1-CE1 3.14Å; E368-H411 PolarHBondContact OE1-CE1 3.03Å; E368-H411 VanDerWaalsContact OE1-CE1 3.25Å; E368-H411 IonicContact OE1-CG 2.71Å; E368-H411 IonicContact OE1-ND1 3.48Å; E368-H411 PolarHBondContact OE1-ND1 3.28Å; E368-K414 PolarHBondContact OE2-N 2.88Å
369D65.7Low67.9Low65 Ų6560 Ų6035%0.34832%0.317SS..  trans-130.4104.9175.1-172.7-20.8000110.5V367 Q371 E372 F373V367-D369 VanDerWaalsContact CG1-C 3.44Å; V367-D369 WeakPolarHBondContact CG1-O 3.4Å; D369-Q371 PolarHBondContact O-N 3.18Å; D369-Q371 WeakPolarHBondContact OD1-CB 3.43Å; D369-Q371 PolarHBondContact OD1-N 3.35Å; D369-E372 HydrophobicContact CB-CB 4.11Å; D369-E372 HydrophobicContact CB-CG 4.28Å; D369-E372 PolarHBondContact O-N 3.23Å; D369-E372 PolarHBondContact OD1-N 2.94Å; D369-F373 PolarHBondContact O-N 3.07Å; D369-F373 VanDerWaalsContact O-N 3.1Å
370S68.6Low68.3Low78 Ų7856.1 Ų56.155%0.54530%0.299SS..Hα-helixtrans-59.4-30.6179.565.80000113.3N374S370-N374 WeakPolarHBondContact O-CB 3.43Å; S370-N374 PolarHBondContact O-N 3.05Å; S370-N374 VanDerWaalsContact O-N 3.09Å; S370-N374 PolarHBondContact O-ND2 3.33Å
371Q71.8Confident68.8Low108 Ų10852.9 Ų52.951%0.50528%0.279SS..Hα-helixtrans-73.7-48.3-178.7-176.159.140.300110.2D369 F373 N374 D375D369-Q371 PolarHBondContact O-N 3.18Å; D369-Q371 WeakPolarHBondContact OD1-CB 3.43Å; D369-Q371 PolarHBondContact OD1-N 3.35Å; Q371-F373 VanDerWaalsContact C-N 3.3Å; Q371-F373 PolarHBondContact O-N 3.31Å; Q371-N374 PolarHBondContact O-N 3.48Å; Q371-D375 PolarHBondContact NE2-OD1 3.26Å; Q371-D375 VanDerWaalsContact O-CG 3.3Å; Q371-D375 PolarHBondContact O-N 2.96Å
372E67.8Low69.4Low75 Ų7553.5 Ų53.535%0.3528%0.284SS..Hα-helixtrans-62.6-37.3177.9-74.3-172.9163.500112.4D369 D375 F376 K414D369-E372 HydrophobicContact CB-CB 4.11Å; D369-E372 HydrophobicContact CB-CG 4.28Å; D369-E372 PolarHBondContact O-N 3.23Å; D369-E372 PolarHBondContact OD1-N 2.94Å; E372-D375 PolarHBondContact O-N 3.24Å; E372-F376 WeakPolarHBondContact O-CB 3.36Å; E372-F376 PolarHBondContact O-N 3.47Å; E372-K414 VanDerWaalsContact OE1-CE 3.31Å; E372-K414 WeakPolarHBondContact OE1-CE 3.19Å; E372-K414 IonicContact OE1-NZ 2.87Å; E372-K414 PolarHBondContact OE1-NZ 3.43Å; E372-K414 VanDerWaalsContact OE2-CD 3.23Å; E372-K414 WeakPolarHBondContact OE2-CD 3.46Å; E372-K414 WeakPolarHBondContact OE2-CE 3.4Å; E372-K414 IonicContact OE2-NZ 2.67Å; E372-K414 PolarHBondContact OE2-NZ 3.01Å
373F69.4Low70.5Confident4 Ų446.3 Ų46.32%0.01825%0.246CC..Hα-helixtrans-66.8-41.8175.2-176.3-105.5000112.4L358 I365 V367 D369 Q371 D375 F376 L377 Y403 I417L358-F373 HydrophobicContact CD1-CE2 4.34Å; L358-F373 HydrophobicContact CD1-CZ 4.11Å; I365-F373 HydrophobicContact CG2-CZ 4.4Å; V367-F373 HydrophobicContact CB-CB 4.35Å; V367-F373 HydrophobicContact CB-CG 4.47Å; V367-F373 HydrophobicContact CG1-CB 3.29Å; V367-F373 HydrophobicContact CG1-CD1 4.44Å; V367-F373 HydrophobicContact CG1-CD2 4.3Å; V367-F373 HydrophobicContact CG1-CG 3.8Å; V367-F373 HydrophobicContact CG2-CB 4.17Å; V367-F373 HydrophobicContact CG2-CD1 3.74Å; V367-F373 HydrophobicContact CG2-CD2 4.16Å; V367-F373 HydrophobicContact CG2-CE1 4.09Å; V367-F373 HydrophobicContact CG2-CG 3.76Å; V367-F373 HydrophobicContact CG2-CZ 4.47Å; D369-F373 PolarHBondContact O-N 3.07Å; D369-F373 VanDerWaalsContact O-N 3.1Å; Q371-F373 VanDerWaalsContact C-N 3.3Å; Q371-F373 PolarHBondContact O-N 3.31Å; F373-D375 VanDerWaalsContact C-N 3.32Å; F373-D375 PolarHBondContact O-N 3.04Å; F373-F376 HydrophobicContact CD2-CD1 4.49Å; F373-F376 WeakPolarHBondContact O-CB 3.26Å; F373-F376 PolarHBondContact O-N 3.38Å; F373-L377 HydrophobicContact CD1-CD1 3.86Å; F373-L377 HydrophobicContact CD1-CG 4.23Å; F373-L377 HydrophobicContact CE1-CD1 3.48Å; F373-L377 VanDerWaalsContact CE1-CD1 3.48Å; F373-L377 HydrophobicContact CE1-CD2 4.28Å; F373-L377 HydrophobicContact CE1-CG 3.99Å; F373-L377 HydrophobicContact CE2-CD2 4.44Å; F373-L377 HydrophobicContact CZ-CD1 4.07Å; F373-L377 HydrophobicContact CZ-CD2 4.02Å; F373-L377 HydrophobicContact CZ-CG 4.19Å; F373-L377 WeakPolarHBondContact O-CG 3.46Å; F373-L377 PolarHBondContact O-N 3.41Å; F373-Y403 AromaticContact CE1-CE1 3.94Å; F373-Y403 HydrophobicContact CE1-CE1 3.94Å; F373-Y403 AromaticContact CE1-CZ 3.79Å; F373-I417 HydrophobicContact CD2-CD1 4.04Å
374N72.6Confident71.4Confident60 Ų6042.1 Ų42.132%0.32123%0.226SC..Hα-helixtrans-62.4-41173.3-74.8-32.3000111.5S370 Q371 F376 L377 N378S370-N374 WeakPolarHBondContact O-CB 3.43Å; S370-N374 PolarHBondContact O-N 3.05Å; S370-N374 VanDerWaalsContact O-N 3.09Å; S370-N374 PolarHBondContact O-ND2 3.33Å; Q371-N374 PolarHBondContact O-N 3.48Å; N374-F376 VanDerWaalsContact C-N 3.3Å; N374-F376 PolarHBondContact O-N 2.88Å; N374-L377 PolarHBondContact O-N 3.14Å; N374-N378 WeakPolarHBondContact O-CB 3.48Å; N374-N378 PolarHBondContact O-N 3.11Å; N374-N378 PolarHBondContact O-ND2 2.75Å; N374-N378 VanDerWaalsContact O-ND2 3.12Å
375D75.7Confident72.4Confident63 Ų6343.2 Ų43.234%0.33723%0.226SC..Hα-helixtrans-64-36.6176.2-70.2-20.3000112.1Q371 E372 F373 S379Q371-D375 PolarHBondContact NE2-OD1 3.26Å; Q371-D375 VanDerWaalsContact O-CG 3.3Å; Q371-D375 PolarHBondContact O-N 2.96Å; E372-D375 PolarHBondContact O-N 3.24Å; F373-D375 VanDerWaalsContact C-N 3.32Å; F373-D375 PolarHBondContact O-N 3.04Å; D375-S379 WeakPolarHBondContact O-CB 3.45Å; D375-S379 PolarHBondContact O-N 3.49Å; D375-S379 PolarHBondContact O-OG 3.08Å
376F76.5Confident73Confident1 Ų146 Ų460%0.00424%0.236CC..Hα-helixtrans-65.9-49.3172.1167.4-107.9000112.4Y354 E372 F373 N374 N378 S379 L380 I417 L420 T421Y354-F376 AromaticContact CD1-CE1 3.83Å; Y354-F376 HydrophobicContact CD1-CE1 3.83Å; Y354-F376 AromaticContact CD1-CZ 3.79Å; Y354-F376 HydrophobicContact CD1-CZ 3.79Å; Y354-F376 HydrophobicContact CE1-CD1 4.43Å; Y354-F376 AromaticContact CE1-CE1 3.26Å; Y354-F376 HydrophobicContact CE1-CE1 3.26Å; Y354-F376 AromaticContact CE1-CZ 3.61Å; Y354-F376 HydrophobicContact CE1-CZ 3.61Å; Y354-F376 HydrophobicContact CE2-CZ 4.43Å; Y354-F376 HydrophobicContact CG-CZ 4.32Å; Y354-F376 AromaticContact CZ-CE1 3.69Å; Y354-F376 AromaticContact CZ-CZ 3.92Å; E372-F376 WeakPolarHBondContact O-CB 3.36Å; E372-F376 PolarHBondContact O-N 3.47Å; F373-F376 HydrophobicContact CD2-CD1 4.49Å; F373-F376 WeakPolarHBondContact O-CB 3.26Å; F373-F376 PolarHBondContact O-N 3.38Å; N374-F376 VanDerWaalsContact C-N 3.3Å; N374-F376 PolarHBondContact O-N 2.88Å; F376-N378 VanDerWaalsContact C-N 3.29Å; F376-N378 PolarHBondContact O-N 3.22Å; F376-S379 WeakPolarHBondContact O-CB 3.39Å; F376-S379 PolarHBondContact O-N 2.82Å; F376-L380 HydrophobicContact CD1-CD1 4.18Å; F376-L380 HydrophobicContact CD2-CD1 4.47Å; F376-L380 HydrophobicContact CD2-CG 4.15Å; F376-L380 HydrophobicContact CE1-CD1 3.39Å; F376-L380 HydrophobicContact CE1-CG 4.1Å; F376-L380 HydrophobicContact CE2-CD1 3.83Å; F376-L380 HydrophobicContact CE2-CD2 3.93Å; F376-L380 HydrophobicContact CE2-CG 3.72Å; F376-L380 HydrophobicContact CZ-CD1 3.26Å; F376-L380 HydrophobicContact CZ-CD2 4.1Å; F376-L380 HydrophobicContact CZ-CG 3.72Å; F376-L380 PolarHBondContact O-N 2.64Å; F376-I417 HydrophobicContact CB-CG2 4.01Å; F376-I417 HydrophobicContact CD1-CG2 3.45Å; F376-I417 VanDerWaalsContact CD1-CG2 3.45Å; F376-I417 HydrophobicContact CD2-CG2 3.34Å; F376-I417 HydrophobicContact CE1-CG2 3.57Å; F376-I417 HydrophobicContact CE2-CG2 3.41Å; F376-I417 VanDerWaalsContact CE2-CG2 3.41Å; F376-I417 HydrophobicContact CG-CG2 3.29Å; F376-I417 HydrophobicContact CZ-CG2 3.49Å; F376-I417 VanDerWaalsContact CZ-CG2 3.49Å; F376-L420 HydrophobicContact CE2-CB 4.4Å; F376-L420 HydrophobicContact CE2-CD2 3.92Å; F376-L420 HydrophobicContact CE2-CG 4.07Å; F376-L420 HydrophobicContact CZ-CD2 4Å; F376-T421 HydrophobicContact CB-CG2 4.09Å; F376-T421 HydrophobicContact CD2-CG2 4.11Å; F376-T421 WeakPolarHBondContact CD2-OG1 3.41Å
377L76.6Confident73.6Confident7 Ų746.5 Ų46.54%0.03725%0.249CC..Hα-helixtrans-58.6-42.4176.7-66.5179.4000111.1L358 F373 N374 S379 L380 Q381 L395L358-L377 HydrophobicContact CD1-CD2 4.46Å; F373-L377 HydrophobicContact CD1-CD1 3.86Å; F373-L377 HydrophobicContact CD1-CG 4.23Å; F373-L377 HydrophobicContact CE1-CD1 3.48Å; F373-L377 VanDerWaalsContact CE1-CD1 3.48Å; F373-L377 HydrophobicContact CE1-CD2 4.28Å; F373-L377 HydrophobicContact CE1-CG 3.99Å; F373-L377 HydrophobicContact CE2-CD2 4.44Å; F373-L377 HydrophobicContact CZ-CD1 4.07Å; F373-L377 HydrophobicContact CZ-CD2 4.02Å; F373-L377 HydrophobicContact CZ-CG 4.19Å; F373-L377 WeakPolarHBondContact O-CG 3.46Å; F373-L377 PolarHBondContact O-N 3.41Å; N374-L377 PolarHBondContact O-N 3.14Å; L377-S379 VanDerWaalsContact C-N 3.3Å; L377-S379 PolarHBondContact O-N 3.04Å; L377-L380 PolarHBondContact O-N 3.39Å; L377-Q381 WeakPolarHBondContact O-CB 3.38Å; L377-Q381 PolarHBondContact O-N 2.91Å; L377-L395 HydrophobicContact CD2-CD1 3.56Å
378N79.4Confident74Confident84 Ų8447.2 Ų47.245%0.44925%0.252SS..Hα-helixtrans-62.7-36.8175.3-72.8-28.9000112.4N374 F376N374-N378 WeakPolarHBondContact O-CB 3.48Å; N374-N378 PolarHBondContact O-N 3.11Å; N374-N378 PolarHBondContact O-ND2 2.75Å; N374-N378 VanDerWaalsContact O-ND2 3.12Å; F376-N378 VanDerWaalsContact C-N 3.29Å; F376-N378 PolarHBondContact O-N 3.22Å
379S80Confident74.4Confident8 Ų849.8 Ų49.86%0.05626%0.264CS..Hα-helixtrans-68-46.2176.3-59.80000110.6D375 F376 L377 Q381 T382 V424D375-S379 WeakPolarHBondContact O-CB 3.45Å; D375-S379 PolarHBondContact O-N 3.49Å; D375-S379 PolarHBondContact O-OG 3.08Å; F376-S379 WeakPolarHBondContact O-CB 3.39Å; F376-S379 PolarHBondContact O-N 2.82Å; L377-S379 VanDerWaalsContact C-N 3.3Å; L377-S379 PolarHBondContact O-N 3.04Å; S379-Q381 VanDerWaalsContact C-N 3.32Å; S379-Q381 PolarHBondContact O-N 2.65Å; S379-T382 PolarHBondContact O-N 2.88Å; S379-T382 PolarHBondContact O-OG1 3.08Å; S379-V424 VanDerWaalsContact O-CG1 3.3Å; S379-V424 WeakPolarHBondContact O-CG1 3.26Å
380L78.9Confident74.6Confident0 Ų051 Ų510%028%0.275CS..Hα-helixtrans-59.8-41.2174.4-72.9-174.2000112.4C351 Y354 I355 F376 L377 T382 L383 L384 L395 V424C351-L380 HydrophobicContact CB-CD2 4.07Å; Y354-L380 HydrophobicContact CD1-CD1 4.4Å; I355-L380 HydrophobicContact CG1-CD1 4.39Å; F376-L380 HydrophobicContact CD1-CD1 4.18Å; F376-L380 HydrophobicContact CD2-CD1 4.47Å; F376-L380 HydrophobicContact CD2-CG 4.15Å; F376-L380 HydrophobicContact CE1-CD1 3.39Å; F376-L380 HydrophobicContact CE1-CG 4.1Å; F376-L380 HydrophobicContact CE2-CD1 3.83Å; F376-L380 HydrophobicContact CE2-CD2 3.93Å; F376-L380 HydrophobicContact CE2-CG 3.72Å; F376-L380 HydrophobicContact CZ-CD1 3.26Å; F376-L380 HydrophobicContact CZ-CD2 4.1Å; F376-L380 HydrophobicContact CZ-CG 3.72Å; F376-L380 PolarHBondContact O-N 2.64Å; L377-L380 PolarHBondContact O-N 3.39Å; L380-T382 PolarHBondContact O-N 3.26Å; L380-L383 PolarHBondContact O-N 3.29Å; L380-L384 WeakPolarHBondContact O-CG 3.33Å; L380-L384 PolarHBondContact O-N 3.26Å; L380-L395 HydrophobicContact CB-CD2 4.4Å; L380-V424 HydrophobicContact CD2-CG2 4.27Å
381Q80Confident74.6Confident57 Ų5748.6 Ų48.627%0.26626%0.255SS..Hα-helixtrans-52.8-43.7179.7-170.2-176-23.800111.4L377 S379 L383 L384 E385 L392 L395L377-Q381 WeakPolarHBondContact O-CB 3.38Å; L377-Q381 PolarHBondContact O-N 2.91Å; S379-Q381 VanDerWaalsContact C-N 3.32Å; S379-Q381 PolarHBondContact O-N 2.65Å; Q381-L383 VanDerWaalsContact C-N 3.31Å; Q381-L383 PolarHBondContact O-N 3.19Å; Q381-L384 PolarHBondContact O-N 2.88Å; Q381-E385 HydrophobicContact CG-CG 4.43Å; Q381-E385 PolarHBondContact NE2-OE1 3.37Å; Q381-E385 WeakPolarHBondContact O-CB 3.48Å; Q381-E385 VanDerWaalsContact O-CG 3.31Å; Q381-E385 WeakPolarHBondContact O-CG 3.41Å; Q381-E385 PolarHBondContact O-N 3.13Å; Q381-L392 HydrophobicContact CG-CD1 3.61Å; Q381-L395 HydrophobicContact CB-CD2 3.81Å; Q381-L395 HydrophobicContact CG-CD2 4.33Å
382T79.2Confident74.5Confident35 Ų3544.1 Ų44.122%0.21524%0.235CC..Hα-helixtrans-64.9-32.2179.859.60000114S379 L380 K428S379-T382 PolarHBondContact O-N 2.88Å; S379-T382 PolarHBondContact O-OG1 3.08Å; L380-T382 PolarHBondContact O-N 3.26Å; T382-K428 HydrophobicContact CG2-CD 4.13Å
383L81.7Confident74.5Confident1 Ų145.5 Ų45.51%0.00524%0.241CC..Hα-helixtrans-78.1-38.5176.2179.764.7000111.4A344 L347 M348 C351 L380 Q381 Y386 G387 V424 W427A344-L383 HydrophobicContact CB-CD1 4.04Å; L347-L383 HydrophobicContact CB-CD2 3.88Å; M348-L383 HydrophobicContact SD-CD1 4.08Å; M348-L383 HydrophobicContact SD-CD2 4.14Å; M348-L383 HydrophobicContact SD-CG 3.68Å; C351-L383 HydrophobicContact CB-CD2 4.38Å; C351-L383 WeakPolarHBondContact SG-CD2 3.33Å; L380-L383 PolarHBondContact O-N 3.29Å; Q381-L383 VanDerWaalsContact C-N 3.31Å; Q381-L383 PolarHBondContact O-N 3.19Å; L383-Y386 VanDerWaalsContact O-CB 3.23Å; L383-Y386 WeakPolarHBondContact O-CB 3.46Å; L383-Y386 PolarHBondContact O-N 3.39Å; L383-Y386 VanDerWaalsContact O-N 3.12Å; L383-G387 PolarHBondContact O-N 3.47Å; L383-V424 HydrophobicContact CB-CG1 4.35Å; L383-V424 HydrophobicContact CD2-CG2 4.21Å; L383-W427 HydrophobicContact CB-CE3 4.37Å; L383-W427 HydrophobicContact CB-CZ3 4.02Å; L383-W427 HydrophobicContact CD1-CD2 4.01Å; L383-W427 HydrophobicContact CD1-CE3 3.88Å; L383-W427 HydrophobicContact CD1-CH2 3.69Å; L383-W427 HydrophobicContact CD1-CZ2 3.81Å; L383-W427 HydrophobicContact CD1-CZ3 3.72Å; L383-W427 HydrophobicContact CG-CZ3 4.48Å
384L77.2Confident74.4Confident1 Ų147 Ų471%0.00525%0.25CS..Hα-helixtrans-67.1-39.6176-64.3174.3000112.2M348 I355 L380 Q381 Y386 G387 N388 E391 L392 L395M348-L384 HydrophobicContact CE-CD2 4Å; I355-L384 HydrophobicContact CD1-CD1 3.3Å; I355-L384 HydrophobicContact CD1-CD2 3.72Å; I355-L384 HydrophobicContact CD1-CG 3.99Å; L380-L384 WeakPolarHBondContact O-CG 3.33Å; L380-L384 PolarHBondContact O-N 3.26Å; Q381-L384 PolarHBondContact O-N 2.88Å; L384-Y386 PolarHBondContact O-N 3.4Å; L384-Y386 VanDerWaalsContact O-N 3.16Å; L384-G387 PolarHBondContact O-N 2.85Å; L384-G387 VanDerWaalsContact O-N 3.16Å; L384-N388 HydrophobicContact CD2-CB 4.44Å; L384-N388 CarbonylContact O-C 3.58Å; L384-N388 PolarHBondContact O-N 2.87Å; L384-E391 HydrophobicContact CD2-CB 3.99Å; L384-L392 HydrophobicContact CB-CB 4.06Å; L384-L392 HydrophobicContact CB-CD1 4.07Å; L384-L395 HydrophobicContact CD1-CB 3.99Å; L384-L395 HydrophobicContact CD1-CD2 3.69Å; L384-L395 HydrophobicContact CD1-CG 4.33Å
385E77.4Confident74.2Confident88 Ų8844.3 Ų44.341%0.41124%0.236SC..Hα-helixtrans-57.8-26.1171.4-77.5175.6-174.600112.4Q381 L392Q381-E385 HydrophobicContact CG-CG 4.43Å; Q381-E385 PolarHBondContact NE2-OE1 3.37Å; Q381-E385 WeakPolarHBondContact O-CB 3.48Å; Q381-E385 VanDerWaalsContact O-CG 3.31Å; Q381-E385 WeakPolarHBondContact O-CG 3.41Å; Q381-E385 PolarHBondContact O-N 3.13Å; E385-L392 HydrophobicContact CG-CD1 3.88Å; E385-L392 HydrophobicContact CG-CD2 3.62Å; E385-L392 HydrophobicContact CG-CG 4.42Å
386Y74.7Confident74Confident69 Ų6944.8 Ų44.827%0.27124%0.235SC..Hα-helixtrans-79.1-32.6178.4-166-95.4000113.6I340 N341 A344 L383 L384 W427 L431I340-Y386 HydrophobicContact CG2-CE2 4.37Å; N341-Y386 WeakPolarHBondContact OD1-CE1 3.02Å; N341-Y386 PolarHBondContact OD1-OH 2.95Å; A344-Y386 HydrophobicContact CB-CD1 3.8Å; A344-Y386 HydrophobicContact CB-CE1 3.86Å; L383-Y386 VanDerWaalsContact O-CB 3.23Å; L383-Y386 WeakPolarHBondContact O-CB 3.46Å; L383-Y386 PolarHBondContact O-N 3.39Å; L383-Y386 VanDerWaalsContact O-N 3.12Å; L384-Y386 PolarHBondContact O-N 3.4Å; L384-Y386 VanDerWaalsContact O-N 3.16Å; Y386-W427 HydrophobicContact CD1-CH2 4.21Å; Y386-W427 AromaticContact CD1-CZ2 3.94Å; Y386-W427 HydrophobicContact CD1-CZ2 3.94Å; Y386-W427 AromaticContact CD2-CH2 3.95Å; Y386-W427 HydrophobicContact CD2-CH2 3.95Å; Y386-W427 HydrophobicContact CD2-CZ2 4.15Å; Y386-W427 HydrophobicContact CE1-CZ2 4.27Å; Y386-W427 HydrophobicContact CE2-CZ2 4.45Å; Y386-W427 AromaticContact CG-CH2 3.71Å; Y386-W427 HydrophobicContact CG-CH2 3.71Å; Y386-W427 AromaticContact CG-CZ2 3.89Å; Y386-W427 HydrophobicContact CG-CZ2 3.89Å; Y386-L431 HydrophobicContact CD2-CD2 4.28Å; Y386-L431 HydrophobicContact CE2-CD1 4.44Å; Y386-L431 HydrophobicContact CE2-CD2 4.48Å
387G71.2Confident73.5Confident42 Ų4246.8 Ų46.843%0.43326%0.256SS..Hα-helixtrans-132.4-33.6-16700000117L383 L384L383-G387 PolarHBondContact O-N 3.47Å; L384-G387 PolarHBondContact O-N 2.85Å; L384-G387 VanDerWaalsContact O-N 3.16Å
388N70.2Confident73Confident44 Ų4446.7 Ų46.724%0.23526%0.256CS..  trans-139.499.6-169.3-76.712.4000113.2M348 T352 L384 P390 E391 L392M348-N388 HydrophobicContact CE-CB 3.37Å; M348-N388 VanDerWaalsContact CE-ND2 3.32Å; M348-N388 WeakPolarHBondContact CE-ND2 3.12Å; M348-N388 WeakPolarHBondContact CE-OD1 3.22Å; T352-N388 VanDerWaalsContact CG2-ND2 3.25Å; T352-N388 WeakPolarHBondContact CG2-ND2 3.24Å; L384-N388 HydrophobicContact CD2-CB 4.44Å; L384-N388 CarbonylContact O-C 3.58Å; L384-N388 PolarHBondContact O-N 2.87Å; N388-P390 VanDerWaalsContact C-CD 3.48Å; N388-E391 VanDerWaalsContact CB-OE2 3.24Å; N388-E391 WeakPolarHBondContact CB-OE2 3.35Å; N388-E391 PolarHBondContact ND2-OE2 3.39Å; N388-L392 WeakPolarHBondContact O-CB 3.35Å; N388-L392 PolarHBondContact O-N 2.84Å
389E68.7Low72.3Confident156 Ų15645.5 Ų45.573%0.72925%0.254SS*.Hα-helixtrans-62.9-38173.1-160.9168.1-161.100115.3L392 E393E389-L392 WeakPolarHBondContact O-CB 3.24Å; E389-L392 PolarHBondContact O-N 3.21Å; E389-E393 PolarHBondContact O-N 3.04Å
390P68.4Low71.3Confident90 Ų9052.7 Ų52.758%0.58429%0.286SS*.Hα-helixtrans-70.6-44.5-177.225-30.5000112.5N388 L392 E393 T394N388-P390 VanDerWaalsContact C-CD 3.48Å; P390-L392 PolarHBondContact O-N 2.98Å; P390-E393 PolarHBondContact O-N 3.31Å; P390-T394 PolarHBondContact O-N 2.95Å; P390-T394 PolarHBondContact O-OG1 3.38Å
391E70.3Confident70.4Confident28 Ų2858 Ų5813%0.13131%0.307CS..Hα-helixtrans-67-24.3176-72.788.9-177.600113.2T352 I355 K356 L384 N388 T394 L395T352-E391 HydrophobicContact CG2-CB 4.46Å; T352-E391 HydrophobicContact CG2-CG 3.9Å; I355-E391 HydrophobicContact CD1-CB 4.28Å; K356-E391 IonicContact NZ-OE1 2.64Å; L384-E391 HydrophobicContact CD2-CB 3.99Å; N388-E391 VanDerWaalsContact CB-OE2 3.24Å; N388-E391 WeakPolarHBondContact CB-OE2 3.35Å; N388-E391 PolarHBondContact ND2-OE2 3.39Å; E391-T394 VanDerWaalsContact CA-OG1 3.26Å; E391-T394 WeakPolarHBondContact CA-OG1 3.47Å; E391-T394 PolarHBondContact O-OG1 3.22Å; E391-L395 WeakPolarHBondContact O-CB 3.35Å; E391-L395 PolarHBondContact O-N 3.39Å
392L69.2Low68.9Low14 Ų1459.7 Ų59.77%0.07333%0.325CS..Hα-helixtrans-65.7-41.2172.8179.765.9000111.9Q381 L384 E385 N388 E389 P390 L395 K396Q381-L392 HydrophobicContact CG-CD1 3.61Å; L384-L392 HydrophobicContact CB-CB 4.06Å; L384-L392 HydrophobicContact CB-CD1 4.07Å; E385-L392 HydrophobicContact CG-CD1 3.88Å; E385-L392 HydrophobicContact CG-CD2 3.62Å; E385-L392 HydrophobicContact CG-CG 4.42Å; N388-L392 WeakPolarHBondContact O-CB 3.35Å; N388-L392 PolarHBondContact O-N 2.84Å; E389-L392 WeakPolarHBondContact O-CB 3.24Å; E389-L392 PolarHBondContact O-N 3.21Å; P390-L392 PolarHBondContact O-N 2.98Å; L392-L395 WeakPolarHBondContact O-CB 3.47Å; L392-L395 PolarHBondContact O-N 3.06Å; L392-K396 WeakPolarHBondContact O-CG 3.49Å; L392-K396 PolarHBondContact O-N 3.1Å
393E67.3Low67.6Low103 Ų10361.9 Ų61.948%0.48133%0.329SS..Hα-helixtrans-68-37.1176.9-69.5-56.8132.600111.7E389 P390 K396 G397E389-E393 PolarHBondContact O-N 3.04Å; P390-E393 PolarHBondContact O-N 3.31Å; E393-K396 PolarHBondContact O-N 3.03Å; E393-K396 IonicContact OE1-NZ 2.62Å; E393-K396 PolarHBondContact OE1-NZ 3.49Å; E393-G397 PolarHBondContact O-N 3.15Å
394T67.2Low65.8Low35 Ų3569 Ų6922%0.21536%0.36CS..Hα-helixtrans-63.9-40.7171.820000112.1E359 P390 E391 K396 G397 L398E359-T394 HydrophobicContact CG-CG2 4.06Å; E359-T394 WeakPolarHBondContact OE1-CG2 3.25Å; E359-T394 WeakPolarHBondContact OE2-CG2 3.49Å; P390-T394 PolarHBondContact O-N 2.95Å; P390-T394 PolarHBondContact O-OG1 3.38Å; E391-T394 VanDerWaalsContact CA-OG1 3.26Å; E391-T394 WeakPolarHBondContact CA-OG1 3.47Å; E391-T394 PolarHBondContact O-OG1 3.22Å; T394-K396 PolarHBondContact O-N 3.01Å; T394-G397 PolarHBondContact O-N 3.04Å; T394-L398 WeakPolarHBondContact O-CG 3.27Å; T394-L398 PolarHBondContact O-N 2.88Å
395L68.4Low63.9Low5 Ų574.4 Ų74.43%0.02639%0.394CS..Hα-helixtrans-60.9-43.3174.8-171.175.4000111.9I355 L377 L380 Q381 L384 E391 L392 G397 L398 S399I355-L395 HydrophobicContact CG1-CD1 4.36Å; L377-L395 HydrophobicContact CD2-CD1 3.56Å; L380-L395 HydrophobicContact CB-CD2 4.4Å; Q381-L395 HydrophobicContact CB-CD2 3.81Å; Q381-L395 HydrophobicContact CG-CD2 4.33Å; L384-L395 HydrophobicContact CD1-CB 3.99Å; L384-L395 HydrophobicContact CD1-CD2 3.69Å; L384-L395 HydrophobicContact CD1-CG 4.33Å; E391-L395 WeakPolarHBondContact O-CB 3.35Å; E391-L395 PolarHBondContact O-N 3.39Å; L392-L395 WeakPolarHBondContact O-CB 3.47Å; L392-L395 PolarHBondContact O-N 3.06Å; L395-G397 VanDerWaalsContact C-N 3.32Å; L395-G397 PolarHBondContact O-N 3.31Å; L395-L398 PolarHBondContact O-N 3.47Å; L395-S399 PolarHBondContact O-N 3.13Å
396K72.2Confident62Low72 Ų7278.2 Ų78.231%0.31341%0.409SS..Hα-helixtrans-62.7-38.2174.6-69.9173.6-171.2165.60111.9L392 E393 T394 L398 S399 H400L392-K396 WeakPolarHBondContact O-CG 3.49Å; L392-K396 PolarHBondContact O-N 3.1Å; E393-K396 PolarHBondContact O-N 3.03Å; E393-K396 IonicContact OE1-NZ 2.62Å; E393-K396 PolarHBondContact OE1-NZ 3.49Å; T394-K396 PolarHBondContact O-N 3.01Å; K396-L398 VanDerWaalsContact C-N 3.34Å; K396-S399 PolarHBondContact O-OG 3.08Å; K396-H400 PolarHBondContact O-CD2 2.88Å
397G66.1Low60.4Low43 Ų4381.3 Ų81.344%0.44343%0.43SS..Hα-helixtrans-63.6-39.3173.200000112.8E393 T394 L395 H400E393-G397 PolarHBondContact O-N 3.15Å; T394-G397 PolarHBondContact O-N 3.04Å; L395-G397 VanDerWaalsContact C-N 3.32Å; L395-G397 PolarHBondContact O-N 3.31Å; G397-H400 PolarHBondContact O-N 3.1Å
398L64.9Low58.9Low5 Ų583.6 Ų83.63%0.02644%0.436CS..Hα-helixtrans-69.1-37.4178.3-73.5170.8000113I355 L358 T394 L395 K396 H400 R401 Y403I355-L398 HydrophobicContact CG2-CD1 4.3Å; L358-L398 HydrophobicContact CB-CD1 3.82Å; L358-L398 HydrophobicContact CD1-CD1 4.45Å; T394-L398 WeakPolarHBondContact O-CG 3.27Å; T394-L398 PolarHBondContact O-N 2.88Å; L395-L398 PolarHBondContact O-N 3.47Å; K396-L398 VanDerWaalsContact C-N 3.34Å; L398-H400 PolarHBondContact O-N 2.92Å; L398-R401 PolarHBondContact O-N 3.15Å; L398-R401 VanDerWaalsContact O-N 3.15Å; L398-Y403 PolarHBondContact O-OH 3.48Å
399S65.5Low57.7Low60 Ų6085.1 Ų85.142%0.4245%0.446SS..Hα-helixtrans-67.6-20177.967.10000113.2L395 K396L395-S399 PolarHBondContact O-N 3.13Å; K396-S399 PolarHBondContact O-OG 3.08Å
400H58.9Low56.8Low158 Ų15882.4 Ų82.473%0.73144%0.436SS*.THydrogen-bonded Turntrans-87.3-12.2173.8-67.5-48.9000114.3K396 G397 L398 S402K396-H400 PolarHBondContact O-CD2 2.88Å; G397-H400 PolarHBondContact O-N 3.1Å; L398-H400 PolarHBondContact O-N 2.92Å; H400-S402 PolarHBondContact O-N 2.75Å
401R60.2Low56Low113 Ų11382.7 Ų82.743%0.42643%0.429SS..SBendtrans-70.9116.8175.8-76-172.1-179.5-179.41.7109.3I361 L398 Y403I361-R401 PolarHBondContact O-NH1 2.99Å; L398-R401 PolarHBondContact O-N 3.15Å; L398-R401 VanDerWaalsContact O-N 3.15Å; R401-Y403 PolarHBondContact O-N 2.85Å
402S48.3Very low55.4Low92 Ų9282 Ų8264%0.64343%0.427SS*.  trans-65115177620000111H400 K404H400-S402 PolarHBondContact O-N 2.75Å; S402-K404 PolarHBondContact O-N 3.29Å
403Y52.9Low54.9Low80 Ų8086.4 Ų86.431%0.31445%0.446SS..  trans-70.4109176.1-48.7-71.5000109.8I365 F373 L398 R401I365-Y403 HydrophobicContact CB-CD1 4.02Å; I365-Y403 HydrophobicContact CB-CE1 4.14Å; I365-Y403 HydrophobicContact CD1-CE1 4.44Å; I365-Y403 VanDerWaalsContact O-CD1 3.28Å; I365-Y403 WeakPolarHBondContact O-CD1 3.3Å; F373-Y403 AromaticContact CE1-CE1 3.94Å; F373-Y403 HydrophobicContact CE1-CE1 3.94Å; F373-Y403 AromaticContact CE1-CZ 3.79Å; L398-Y403 PolarHBondContact O-OH 3.48Å; R401-Y403 PolarHBondContact O-N 2.85Å
404K43.7Very low54.7Low150 Ų15085.9 Ų85.965%0.65244%0.442SS*.  trans-117.3135.4175.4-80-173.9178.5177.90110.5P364 S402P364-K404 WeakPolarHBondContact CB-O 3.36Å; P364-K404 WeakPolarHBondContact CG-O 3.38Å; S402-K404 PolarHBondContact O-N 3.29Å
405T37.5Very low54.5Low115 Ų11590.1 Ų90.171%0.70646%0.459SS*.  trans-80.8110.4178.9400000110.7
406K37.2Very low54.2Low169 Ų16994.3 Ų94.374%0.73548%0.482SS*.  trans179.4131148-100.4162.8-173.2-1690112.6
407D41.1Very low54.2Low133 Ų13391.5 Ų91.571%0.71147%0.47SS*.SBendtrans52.978.1147.2-51.3-25.9000118.5
408T38Very low54.8Low91 Ų9193.8 Ų93.856%0.55847%0.469SS*.SBendtrans141105.9144.654.20000106.8Q363Q363-T408 VanDerWaalsContact CD-OG1 3.31Å; Q363-T408 PolarHBondContact NE2-OG1 2.97Å; Q363-T408 PolarHBondContact OE1-O 3.45Å; Q363-T408 PolarHBondContact OE1-OG1 3.45Å
409V45.2Very low55.6Low75 Ų7596.2 Ų96.246%0.45548%0.48SS..  trans-124.3110.3-143.5-173.20000111.4I366 H411I366-V409 HydrophobicContact CB-CG1 4.1Å; I366-V409 HydrophobicContact CD1-CB 4.49Å; I366-V409 HydrophobicContact CD1-CG1 3.99Å; I366-V409 HydrophobicContact CD1-CG2 3.84Å; V409-H411 HydrophobicContact CG1-CB 4.5Å; V409-H411 PolarHBondContact O-N 2.95Å
410I49.6Very low56.4Low99 Ų9993.7 Ų93.751%0.50846%0.462SS..  trans-77.696.2155.8-63170.6000105.7I361 V412I361-I410 HydrophobicContact CD1-CB 4.48Å; I361-I410 HydrophobicContact CD1-CD1 3.69Å; I361-I410 HydrophobicContact CD1-CG2 4.38Å; I361-I410 HydrophobicContact CG1-CD1 3.74Å; I361-I410 HydrophobicContact CG2-CD1 4.27Å; I410-V412 PolarHBondContact O-N 3.43Å; I410-V412 VanDerWaalsContact O-N 3.09Å
411H51.7Low57.7Low96 Ų9686.6 Ų86.644%0.44443%0.43SS..EExtended strand (participates in β ladder)trans-66.1106.5169.6-118.6-89.3000107.1E368 V409 K413E368-H411 IonicContact OE1-CE1 3.14Å; E368-H411 PolarHBondContact OE1-CE1 3.03Å; E368-H411 VanDerWaalsContact OE1-CE1 3.25Å; E368-H411 IonicContact OE1-CG 2.71Å; E368-H411 IonicContact OE1-ND1 3.48Å; E368-H411 PolarHBondContact OE1-ND1 3.28Å; V409-H411 HydrophobicContact CG1-CB 4.5Å; V409-H411 PolarHBondContact O-N 2.95Å; H411-K413 PolarHBondContact O-N 3.38Å
412V58.1Low59Low15 Ų1583 Ų839%0.09142%0.418CS..EExtended strand (participates in β ladder)trans-74.488.3165.5-165.60000106.3Y354 I365 I410 K414 I417Y354-V412 VanDerWaalsContact OH-CG1 3.25Å; Y354-V412 WeakPolarHBondContact OH-CG1 3.5Å; I365-V412 HydrophobicContact CG2-CG2 4.05Å; I410-V412 PolarHBondContact O-N 3.43Å; I410-V412 VanDerWaalsContact O-N 3.09Å; V412-K414 PolarHBondContact O-N 3.36Å; V412-I417 HydrophobicContact CB-CD1 4.24Å; V412-I417 HydrophobicContact CG1-CD1 3.23Å; V412-I417 HydrophobicContact CG1-CG1 3.45Å; V412-I417 VanDerWaalsContact CG1-CG1 3.45Å
413K59.1Low60.8Low106 Ų10678.6 Ų78.646%0.46139%0.387SS..  trans-58.2135178.2-67.2-172.5177-173.50109.5H411 E415 N416H411-K413 PolarHBondContact O-N 3.38Å; K413-E415 PolarHBondContact O-N 2.9Å; K413-N416 WeakPolarHBondContact O-CB 3.38Å; K413-N416 PolarHBondContact O-N 3.21Å
414K62.8Low62.5Low91 Ų9174.8 Ų74.840%0.39637%0.372SS..Hα-helixtrans-48.4-43176.1178.7175.8179150.80112.6E368 E372 V412 N416 I417 H418E368-K414 PolarHBondContact OE2-N 2.88Å; E372-K414 VanDerWaalsContact OE1-CE 3.31Å; E372-K414 WeakPolarHBondContact OE1-CE 3.19Å; E372-K414 IonicContact OE1-NZ 2.87Å; E372-K414 PolarHBondContact OE1-NZ 3.43Å; E372-K414 VanDerWaalsContact OE2-CD 3.23Å; E372-K414 WeakPolarHBondContact OE2-CD 3.46Å; E372-K414 WeakPolarHBondContact OE2-CE 3.4Å; E372-K414 IonicContact OE2-NZ 2.67Å; E372-K414 PolarHBondContact OE2-NZ 3.01Å; V412-K414 PolarHBondContact O-N 3.36Å; K414-N416 VanDerWaalsContact C-N 3.29Å; K414-N416 PolarHBondContact O-N 2.88Å; K414-I417 PolarHBondContact O-N 3.35Å; K414-H418 WeakPolarHBondContact O-CB 3.28Å; K414-H418 PolarHBondContact O-N 3.22Å
415E62.4Low64.6Low125 Ų12571.1 Ų71.158%0.58436%0.356SS*.Hα-helixtrans-58.2-40.1-178.2-60.2101-162.100112.6K413 I417 H418K413-E415 PolarHBondContact O-N 2.9Å; E415-I417 VanDerWaalsContact C-N 3.26Å; E415-I417 PolarHBondContact O-N 2.7Å; E415-H418 PolarHBondContact O-N 3.49Å
416N63.9Low67.1Low93 Ų9366 Ų6650%0.49733%0.325SS..Hα-helixtrans-69.1-23-176.6-65.2-11.4000113.2K413 K414K413-N416 WeakPolarHBondContact O-CB 3.38Å; K413-N416 PolarHBondContact O-N 3.21Å; K414-N416 VanDerWaalsContact C-N 3.29Å; K414-N416 PolarHBondContact O-N 2.88Å
417I71.1Confident69.7Low13 Ų1358 Ų587%0.06729%0.29CS..Hα-helixtrans-98.4-30.5179.6-37.7179.2000110.8F373 F376 V412 K414 E415 Q419 L420 T421F373-I417 HydrophobicContact CD2-CD1 4.04Å; F376-I417 HydrophobicContact CB-CG2 4.01Å; F376-I417 HydrophobicContact CD1-CG2 3.45Å; F376-I417 VanDerWaalsContact CD1-CG2 3.45Å; F376-I417 HydrophobicContact CD2-CG2 3.34Å; F376-I417 HydrophobicContact CE1-CG2 3.57Å; F376-I417 HydrophobicContact CE2-CG2 3.41Å; F376-I417 VanDerWaalsContact CE2-CG2 3.41Å; F376-I417 HydrophobicContact CG-CG2 3.29Å; F376-I417 HydrophobicContact CZ-CG2 3.49Å; F376-I417 VanDerWaalsContact CZ-CG2 3.49Å; V412-I417 HydrophobicContact CB-CD1 4.24Å; V412-I417 HydrophobicContact CG1-CD1 3.23Å; V412-I417 HydrophobicContact CG1-CG1 3.45Å; V412-I417 VanDerWaalsContact CG1-CG1 3.45Å; K414-I417 PolarHBondContact O-N 3.35Å; E415-I417 VanDerWaalsContact C-N 3.26Å; E415-I417 PolarHBondContact O-N 2.7Å; I417-Q419 PolarHBondContact O-N 3.24Å; I417-L420 PolarHBondContact O-N 2.94Å; I417-T421 WeakPolarHBondContact CG2-OG1 3.18Å; I417-T421 WeakPolarHBondContact O-CB 3.16Å; I417-T421 PolarHBondContact O-N 2.95Å; I417-T421 PolarHBondContact O-OG1 3.23Å
418H79.2Confident72Confident91 Ų9155.6 Ų55.642%0.42127%0.273SS..Hα-helixtrans-56-49.7-166.2-176.662.8000112.1K414 E415 T421 E422K414-H418 WeakPolarHBondContact O-CB 3.28Å; K414-H418 PolarHBondContact O-N 3.22Å; E415-H418 PolarHBondContact O-N 3.49Å; H418-T421 WeakPolarHBondContact O-CB 3.4Å; H418-T421 PolarHBondContact O-N 3.36Å; H418-E422 WeakPolarHBondContact O-CG 3.25Å; H418-E422 PolarHBondContact O-N 2.77Å
419Q82.2Confident74.6Confident55 Ų5555.2 Ų55.226%0.25727%0.267SS..Hα-helixtrans-66-44.8-177.3-63.6-167.63.500112.6D182 L185 I417 T421 E422 T423D182-Q419 PolarHBondContact O-OE1 3.34Å; L185-Q419 HydrophobicContact CB-CB 4.47Å; L185-Q419 HydrophobicContact CD1-CB 4.47Å; I417-Q419 PolarHBondContact O-N 3.24Å; Q419-T421 VanDerWaalsContact C-N 3.27Å; Q419-T421 PolarHBondContact O-N 3.15Å; Q419-E422 PolarHBondContact O-N 3.36Å; Q419-T423 PolarHBondContact O-N 3.03Å; Q419-T423 PolarHBondContact O-OG1 2.97Å
420L82.4Confident76.8Confident7 Ų751.6 Ų51.64%0.03725%0.245CC..Hα-helixtrans-59.9-40.9174.9-177.662.4000111.2L185 T350 F376 I417 V424L185-L420 HydrophobicContact CD1-CB 4Å; L185-L420 HydrophobicContact CD1-CD1 4.28Å; L185-L420 HydrophobicContact CD2-CD1 3.8Å; T350-L420 HydrophobicContact CG2-CD1 4.17Å; F376-L420 HydrophobicContact CE2-CB 4.4Å; F376-L420 HydrophobicContact CE2-CD2 3.92Å; F376-L420 HydrophobicContact CE2-CG 4.07Å; F376-L420 HydrophobicContact CZ-CD2 4Å; I417-L420 PolarHBondContact O-N 2.94Å; L420-V424 HydrophobicContact CD1-CG2 4.19Å; L420-V424 HydrophobicContact CG-CG2 4.47Å; L420-V424 WeakPolarHBondContact O-CB 3.49Å; L420-V424 WeakPolarHBondContact O-CG2 3.46Å; L420-V424 PolarHBondContact O-N 2.99Å
421T84.5Confident78.8Confident10 Ų1048.5 Ų48.56%0.06123%0.229CC..Hα-helixtrans-59.5-50.4176.8-50.80000111.3F376 I417 H418 Q419 V424 K425F376-T421 HydrophobicContact CB-CG2 4.09Å; F376-T421 HydrophobicContact CD2-CG2 4.11Å; F376-T421 WeakPolarHBondContact CD2-OG1 3.41Å; I417-T421 WeakPolarHBondContact CG2-OG1 3.18Å; I417-T421 WeakPolarHBondContact O-CB 3.16Å; I417-T421 PolarHBondContact O-N 2.95Å; I417-T421 PolarHBondContact O-OG1 3.23Å; H418-T421 WeakPolarHBondContact O-CB 3.4Å; H418-T421 PolarHBondContact O-N 3.36Å; Q419-T421 VanDerWaalsContact C-N 3.27Å; Q419-T421 PolarHBondContact O-N 3.15Å; T421-V424 PolarHBondContact O-N 3.49Å; T421-K425 HydrophobicContact CG2-CD 4.25Å; T421-K425 WeakPolarHBondContact O-CB 3.38Å; T421-K425 WeakPolarHBondContact O-CG 3.38Å; T421-K425 PolarHBondContact O-N 2.9Å
422E87.4Confident80.7Confident37 Ų3748.7 Ų48.717%0.17323%0.23CC..Hα-helixtrans-66.6-39.9-178.1-68.4-56.1116.700111.9R189 H418 Q419 V424 K425 T426R189-E422 IonicContact NH2-OE2 3.88Å; H418-E422 WeakPolarHBondContact O-CG 3.25Å; H418-E422 PolarHBondContact O-N 2.77Å; Q419-E422 PolarHBondContact O-N 3.36Å; E422-V424 PolarHBondContact O-N 3.39Å; E422-K425 PolarHBondContact O-N 3.43Å; E422-K425 WeakPolarHBondContact OE1-CD 3.49Å; E422-K425 IonicContact OE1-NZ 3.25Å; E422-K425 PolarHBondContact OE1-NZ 3.11Å; E422-T426 WeakPolarHBondContact O-CB 3.04Å; E422-T426 PolarHBondContact O-N 3.16Å; E422-T426 PolarHBondContact O-OG1 3.41Å
423T87.5Confident82.3Confident0 Ų052 Ų520%024%0.244CC..Hα-helixtrans-64.4-41.5175.3-52.70000111.5L185 V188 R189 I192 L347 Q419 T426 W427L185-T423 HydrophobicContact CD2-CG2 4.46Å; L185-T423 PolarHBondContact O-OG1 2.73Å; V188-T423 HydrophobicContact CB-CG2 4.18Å; V188-T423 HydrophobicContact CG1-CG2 3.78Å; R189-T423 HydrophobicContact CB-CG2 4.22Å; I192-T423 HydrophobicContact CD1-CG2 4.4Å; L347-T423 HydrophobicContact CD1-CG2 4.34Å; L347-T423 HydrophobicContact CD2-CG2 3.78Å; Q419-T423 PolarHBondContact O-N 3.03Å; Q419-T423 PolarHBondContact O-OG1 2.97Å; T423-T426 PolarHBondContact O-N 3.37Å; T423-W427 PolarHBondContact O-N 2.98Å
424V87.4Confident83.9Confident0 Ų048.3 Ų48.30%023%0.228CC..Hα-helixtrans-68.3-39.7176.6174.30000111.6S379 L380 L383 L420 T421 E422 T426 W427 K428S379-V424 VanDerWaalsContact O-CG1 3.3Å; S379-V424 WeakPolarHBondContact O-CG1 3.26Å; L380-V424 HydrophobicContact CD2-CG2 4.27Å; L383-V424 HydrophobicContact CB-CG1 4.35Å; L383-V424 HydrophobicContact CD2-CG2 4.21Å; L420-V424 HydrophobicContact CD1-CG2 4.19Å; L420-V424 HydrophobicContact CG-CG2 4.47Å; L420-V424 WeakPolarHBondContact O-CB 3.49Å; L420-V424 WeakPolarHBondContact O-CG2 3.46Å; L420-V424 PolarHBondContact O-N 2.99Å; T421-V424 PolarHBondContact O-N 3.49Å; E422-V424 PolarHBondContact O-N 3.39Å; V424-T426 VanDerWaalsContact C-N 3.31Å; V424-T426 PolarHBondContact O-N 3.1Å; V424-W427 PolarHBondContact O-N 3.22Å; V424-K428 WeakPolarHBondContact O-CB 3.42Å; V424-K428 PolarHBondContact O-N 2.77Å
425K89Confident85.1Confident72 Ų7248 Ų4831%0.31323%0.23SC..Hα-helixtrans-59.5-43.3172-77.1174.3-177.2166.90111.4T421 E422 K428 I429T421-K425 HydrophobicContact CG2-CD 4.25Å; T421-K425 WeakPolarHBondContact O-CB 3.38Å; T421-K425 WeakPolarHBondContact O-CG 3.38Å; T421-K425 PolarHBondContact O-N 2.9Å; E422-K425 PolarHBondContact O-N 3.43Å; E422-K425 WeakPolarHBondContact OE1-CD 3.49Å; E422-K425 IonicContact OE1-NZ 3.25Å; E422-K425 PolarHBondContact OE1-NZ 3.11Å; K425-K428 WeakPolarHBondContact O-CB 3.42Å; K425-K428 PolarHBondContact O-N 3.38Å; K425-I429 WeakPolarHBondContact O-CG1 3.34Å; K425-I429 PolarHBondContact O-N 3.5Å
426T89.9Confident86.4Confident9 Ų945.3 Ų45.36%0.05522%0.218CC..Hα-helixtrans-62.9-43.8177.8-55.60000111.1R189 I192 E193 E422 T423 V424 K428 I429 F430R189-T426 HydrophobicContact CG-CG2 4.18Å; I192-T426 HydrophobicContact CB-CG2 4.11Å; I192-T426 HydrophobicContact CG2-CG2 3.79Å; E193-T426 HydrophobicContact CG-CG2 3.64Å; E422-T426 WeakPolarHBondContact O-CB 3.04Å; E422-T426 PolarHBondContact O-N 3.16Å; E422-T426 PolarHBondContact O-OG1 3.41Å; T423-T426 PolarHBondContact O-N 3.37Å; V424-T426 VanDerWaalsContact C-N 3.31Å; V424-T426 PolarHBondContact O-N 3.1Å; T426-K428 VanDerWaalsContact C-N 3.35Å; T426-K428 PolarHBondContact O-N 2.87Å; T426-I429 PolarHBondContact O-N 3.28Å; T426-F430 PolarHBondContact O-N 3.43Å
427W91.7Very high87.4Confident0 Ų041.4 Ų41.40%020%0.198CC..Hα-helixtrans-61.4-40.5172.3177.786.1000112.5I192 I340 A344 L347 L383 Y386 T423 V424 F430 L431I192-W427 HydrophobicContact CD1-CB 4.12Å; I340-W427 HydrophobicContact CG2-CZ2 4.08Å; I340-W427 PolarHBondContact O-NE1 2.72Å; A344-W427 HydrophobicContact CB-CZ2 3.84Å; L347-W427 HydrophobicContact CD1-CB 4.06Å; L347-W427 HydrophobicContact CD1-CG 4.23Å; L383-W427 HydrophobicContact CB-CE3 4.37Å; L383-W427 HydrophobicContact CB-CZ3 4.02Å; L383-W427 HydrophobicContact CD1-CD2 4.01Å; L383-W427 HydrophobicContact CD1-CE3 3.88Å; L383-W427 HydrophobicContact CD1-CH2 3.69Å; L383-W427 HydrophobicContact CD1-CZ2 3.81Å; L383-W427 HydrophobicContact CD1-CZ3 3.72Å; L383-W427 HydrophobicContact CG-CZ3 4.48Å; Y386-W427 HydrophobicContact CD1-CH2 4.21Å; Y386-W427 AromaticContact CD1-CZ2 3.94Å; Y386-W427 HydrophobicContact CD1-CZ2 3.94Å; Y386-W427 AromaticContact CD2-CH2 3.95Å; Y386-W427 HydrophobicContact CD2-CH2 3.95Å; Y386-W427 HydrophobicContact CD2-CZ2 4.15Å; Y386-W427 HydrophobicContact CE1-CZ2 4.27Å; Y386-W427 HydrophobicContact CE2-CZ2 4.45Å; Y386-W427 AromaticContact CG-CH2 3.71Å; Y386-W427 HydrophobicContact CG-CH2 3.71Å; Y386-W427 AromaticContact CG-CZ2 3.89Å; Y386-W427 HydrophobicContact CG-CZ2 3.89Å; T423-W427 PolarHBondContact O-N 2.98Å; V424-W427 PolarHBondContact O-N 3.22Å; W427-F430 WeakPolarHBondContact O-CB 3.29Å; W427-F430 PolarHBondContact O-N 2.9Å; W427-L431 HydrophobicContact CH2-CD2 3.86Å; W427-L431 HydrophobicContact CZ2-CD2 4.38Å; W427-L431 HydrophobicContact CZ3-CD2 4.26Å; W427-L431 PolarHBondContact O-N 3.39Å
428K89.8Confident88.1Confident83 Ų8343.4 Ų43.436%0.36121%0.211SC..Hα-helixtrans-62.8-42.5175.8-179.1-179.9177.6174.10111.8T382 V424 K425 T426 F430 L431 Q432T382-K428 HydrophobicContact CG2-CD 4.13Å; V424-K428 WeakPolarHBondContact O-CB 3.42Å; V424-K428 PolarHBondContact O-N 2.77Å; K425-K428 WeakPolarHBondContact O-CB 3.42Å; K425-K428 PolarHBondContact O-N 3.38Å; T426-K428 VanDerWaalsContact C-N 3.35Å; T426-K428 PolarHBondContact O-N 2.87Å; K428-F430 VanDerWaalsContact C-N 3.3Å; K428-F430 PolarHBondContact O-N 3.45Å; K428-L431 PolarHBondContact O-N 3.48Å; K428-Q432 WeakPolarHBondContact O-CB 3.47Å; K428-Q432 PolarHBondContact O-N 2.91Å
429I91.9Very high88.2Confident82 Ų8241.3 Ų41.342%0.42121%0.209SC..Hα-helixtrans-60.7-42.5173.5-67.7165.1000110.1L196 K425 T426 L431 Q432 K433L196-I429 HydrophobicContact CD2-CG2 4.1Å; K425-I429 WeakPolarHBondContact O-CG1 3.34Å; K425-I429 PolarHBondContact O-N 3.5Å; T426-I429 PolarHBondContact O-N 3.28Å; I429-L431 PolarHBondContact O-N 3.46Å; I429-Q432 PolarHBondContact O-N 3.32Å; I429-K433 HydrophobicContact CG2-CG 4.26Å; I429-K433 WeakPolarHBondContact O-CB 3.42Å; I429-K433 WeakPolarHBondContact O-CG 3.45Å; I429-K433 PolarHBondContact O-N 2.95Å
430F91.9Very high88Confident0 Ų042.6 Ų42.60%022%0.218CC..Hα-helixtrans-59.8-45177.5-174.7-129.8000112.4I192 Q195 L196 Y199 W336 A339 I340 F343 T426 W427 K428 F434I192-F430 HydrophobicContact CG2-CB 3.78Å; I192-F430 HydrophobicContact CG2-CD1 4.19Å; I192-F430 HydrophobicContact CG2-CG 3.96Å; Q195-F430 HydrophobicContact CB-CE2 4.44Å; Q195-F430 HydrophobicContact CB-CZ 4.3Å; L196-F430 HydrophobicContact CB-CD2 3.76Å; L196-F430 HydrophobicContact CB-CE2 4.16Å; L196-F430 HydrophobicContact CD1-CD2 3.84Å; L196-F430 HydrophobicContact CD1-CE2 4.49Å; L196-F430 HydrophobicContact CG-CD2 4.32Å; Y199-F430 AromaticContact CD2-CE2 3.89Å; Y199-F430 HydrophobicContact CD2-CE2 3.89Å; Y199-F430 AromaticContact CD2-CZ 3.91Å; Y199-F430 HydrophobicContact CD2-CZ 3.91Å; Y199-F430 HydrophobicContact CE2-CZ 4.11Å; W336-F430 AromaticContact CD1-CE2 3.52Å; W336-F430 AromaticContact CD1-CZ 3.31Å; W336-F430 AromaticContact CE2-CE2 3.86Å; W336-F430 HydrophobicContact CZ2-CD2 4.48Å; W336-F430 HydrophobicContact CZ2-CE2 4.41Å; W336-F430 AromaticContact NE1-CD2 3.43Å; W336-F430 AromaticContact NE1-CE1 3.96Å; W336-F430 AromaticContact NE1-CE2 2.92Å; W336-F430 AromaticContact NE1-CZ 3.23Å; A339-F430 HydrophobicContact CB-CE1 3.87Å; A339-F430 HydrophobicContact CB-CZ 3.79Å; I340-F430 HydrophobicContact CB-CE1 4.34Å; I340-F430 HydrophobicContact CG1-CD1 3.56Å; I340-F430 HydrophobicContact CG1-CE1 3.44Å; I340-F430 VanDerWaalsContact CG1-CE1 3.44Å; I340-F430 HydrophobicContact CG1-CG 4.43Å; I340-F430 HydrophobicContact CG1-CZ 4.24Å; F343-F430 HydrophobicContact CD2-CE1 4.18Å; T426-F430 PolarHBondContact O-N 3.43Å; W427-F430 WeakPolarHBondContact O-CB 3.29Å; W427-F430 PolarHBondContact O-N 2.9Å; K428-F430 VanDerWaalsContact C-N 3.3Å; K428-F430 PolarHBondContact O-N 3.45Å; F430-F434 PolarHBondContact O-N 2.89Å; F430-F434 VanDerWaalsContact O-N 3.14Å
431L91.2Very high87.2Confident34 Ų3443.4 Ų43.418%0.17822%0.223CC..Hα-helixtrans-65.3-42.5173.9175.761.5000112.4I340 Y386 W427 K428 I429 F434 N435I340-L431 HydrophobicContact CD1-CD1 4.2Å; I340-L431 HydrophobicContact CG2-CD1 4.13Å; Y386-L431 HydrophobicContact CD2-CD2 4.28Å; Y386-L431 HydrophobicContact CE2-CD1 4.44Å; Y386-L431 HydrophobicContact CE2-CD2 4.48Å; W427-L431 HydrophobicContact CH2-CD2 3.86Å; W427-L431 HydrophobicContact CZ2-CD2 4.38Å; W427-L431 HydrophobicContact CZ3-CD2 4.26Å; W427-L431 PolarHBondContact O-N 3.39Å; K428-L431 PolarHBondContact O-N 3.48Å; I429-L431 PolarHBondContact O-N 3.46Å; L431-F434 HydrophobicContact CD1-CD1 4.48Å; L431-F434 WeakPolarHBondContact O-CB 3.03Å; L431-F434 PolarHBondContact O-N 3.05Å; L431-N435 PolarHBondContact O-N 2.96Å; L431-N435 PolarHBondContact O-ND2 3.33Å
432Q91.4Very high85.8Confident100 Ų10045.3 Ų45.347%0.46724%0.237SC..Hα-helixtrans-61.8-45.6178.2-177.9-178.7-18.300111.3K428 I429 F434 N435 E436K428-Q432 WeakPolarHBondContact O-CB 3.47Å; K428-Q432 PolarHBondContact O-N 2.91Å; I429-Q432 PolarHBondContact O-N 3.32Å; Q432-F434 VanDerWaalsContact C-N 3.3Å; Q432-F434 PolarHBondContact O-N 3.31Å; Q432-N435 PolarHBondContact O-N 2.89Å; Q432-N435 VanDerWaalsContact O-N 3.13Å; Q432-E436 HydrophobicContact CG-CG 4.47Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.26Å; Q432-E436 PolarHBondContact NE2-OE1 3.19Å; Q432-E436 WeakPolarHBondContact O-CG 3.5Å; Q432-E436 PolarHBondContact O-N 2.88Å
433K91.4Very high83.7Confident84 Ų8449.2 Ų49.237%0.36526%0.259SS..Hα-helixtrans-62.9-36.9178.3-73.5-74.2165.2-151.40112.4L196 W336 I429 E436 A437L196-K433 HydrophobicContact CD1-CB 3.76Å; L196-K433 HydrophobicContact CD1-CG 3.93Å; W336-K433 HydrophobicContact CH2-CB 4.27Å; W336-K433 HydrophobicContact CZ2-CB 4.02Å; I429-K433 HydrophobicContact CG2-CG 4.26Å; I429-K433 WeakPolarHBondContact O-CB 3.42Å; I429-K433 WeakPolarHBondContact O-CG 3.45Å; I429-K433 PolarHBondContact O-N 2.95Å; K433-E436 IonicContact NZ-OE1 2.75Å; K433-E436 IonicContact NZ-OE2 3.29Å; K433-E436 PolarHBondContact NZ-OE2 2.64Å; K433-A437 VanDerWaalsContact O-CB 3.24Å; K433-A437 WeakPolarHBondContact O-CB 3.38Å; K433-A437 PolarHBondContact O-N 3.16Å
434F92.2Very high81.5Confident29 Ų2954.6 Ų54.613%0.12729%0.288CS..Hα-helixtrans-60.7-49.2170.7169.3-100.3000111.6Y333 W336 K337 I340 F430 L431 Q432 E436 A437 V438Y333-F434 HydrophobicContact CD1-CD2 4.1Å; Y333-F434 AromaticContact CD1-CE2 3.8Å; Y333-F434 HydrophobicContact CD1-CE2 3.8Å; Y333-F434 HydrophobicContact CG-CE2 4.48Å; W336-F434 HydrophobicContact CB-CD2 3.98Å; W336-F434 HydrophobicContact CB-CE2 4.28Å; W336-F434 HydrophobicContact CD2-CB 4.01Å; W336-F434 AromaticContact CD2-CD2 3.66Å; W336-F434 HydrophobicContact CD2-CD2 3.66Å; W336-F434 HydrophobicContact CD2-CG 4.33Å; W336-F434 AromaticContact CE3-CD2 3.94Å; W336-F434 HydrophobicContact CE3-CD2 3.94Å; W336-F434 HydrophobicContact CG-CB 4.43Å; W336-F434 AromaticContact CG-CD2 3.67Å; W336-F434 HydrophobicContact CG-CD2 3.67Å; W336-F434 HydrophobicContact CG-CE2 4.44Å; W336-F434 HydrophobicContact CG-CG 4.45Å; W336-F434 HydrophobicContact CH2-CB 4.43Å; W336-F434 HydrophobicContact CZ2-CB 3.91Å; K337-F434 HydrophobicContact CB-CE2 4.36Å; K337-F434 HydrophobicContact CB-CZ 4.22Å; I340-F434 HydrophobicContact CD1-CB 3.55Å; I340-F434 HydrophobicContact CD1-CD1 3.85Å; I340-F434 HydrophobicContact CD1-CD2 4.11Å; I340-F434 HydrophobicContact CD1-CG 3.57Å; F430-F434 PolarHBondContact O-N 2.89Å; F430-F434 VanDerWaalsContact O-N 3.14Å; L431-F434 HydrophobicContact CD1-CD1 4.48Å; L431-F434 WeakPolarHBondContact O-CB 3.03Å; L431-F434 PolarHBondContact O-N 3.05Å; Q432-F434 VanDerWaalsContact C-N 3.3Å; Q432-F434 PolarHBondContact O-N 3.31Å; F434-E436 PolarHBondContact O-N 3.44Å; F434-A437 PolarHBondContact O-N 2.87Å; F434-A437 VanDerWaalsContact O-N 3.15Å; F434-V438 HydrophobicContact CD2-CG2 4.24Å; F434-V438 HydrophobicContact CE1-CG2 4.17Å; F434-V438 HydrophobicContact CE2-CG2 3.86Å; F434-V438 HydrophobicContact CZ-CG2 3.82Å; F434-V438 WeakPolarHBondContact O-CG2 3.33Å; F434-V438 PolarHBondContact O-N 3.26Å
435N89.2Confident79.2Confident85 Ų8559.9 Ų59.946%0.45531%0.313SS..Hα-helixtrans-62.8-41179.2-68.8-32.2000112.2L431 Q432 A437 V438 A439L431-N435 PolarHBondContact O-N 2.96Å; L431-N435 PolarHBondContact O-ND2 3.33Å; Q432-N435 PolarHBondContact O-N 2.89Å; Q432-N435 VanDerWaalsContact O-N 3.13Å; N435-A437 VanDerWaalsContact C-N 3.34Å; N435-V438 PolarHBondContact O-N 3.39Å; N435-A439 WeakPolarHBondContact O-CB 3.43Å; N435-A439 PolarHBondContact O-N 3.33Å
436E89Confident76.3Confident67 Ų6760.8 Ų60.831%0.31332%0.324SS..Hα-helixtrans-59.8-44.7172.4-73.1172.2-167.700111.2Q432 K433 F434 V438 A439 N440Q432-E436 HydrophobicContact CG-CG 4.47Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.26Å; Q432-E436 PolarHBondContact NE2-OE1 3.19Å; Q432-E436 WeakPolarHBondContact O-CG 3.5Å; Q432-E436 PolarHBondContact O-N 2.88Å; K433-E436 IonicContact NZ-OE1 2.75Å; K433-E436 IonicContact NZ-OE2 3.29Å; K433-E436 PolarHBondContact NZ-OE2 2.64Å; F434-E436 PolarHBondContact O-N 3.44Å; E436-V438 VanDerWaalsContact C-N 3.33Å; E436-V438 PolarHBondContact O-N 3.35Å; E436-A439 PolarHBondContact O-N 3.36Å; E436-N440 WeakPolarHBondContact O-CB 3.47Å; E436-N440 PolarHBondContact O-N 3.12Å; E436-N440 PolarHBondContact O-ND2 2.82Å
437A86Confident73.7Confident11 Ų1166.8 Ų66.89%0.09136%0.356CS..Hα-helixtrans-67.1-32.318000000112.7Y333 W336 K433 F434 N435 T441Y333-A437 HydrophobicContact CE1-CB 3.8Å; Y333-A437 PolarHBondContact OH-O 2.76Å; W336-A437 HydrophobicContact CH2-CB 3.95Å; W336-A437 HydrophobicContact CZ3-CB 3.59Å; K433-A437 VanDerWaalsContact O-CB 3.24Å; K433-A437 WeakPolarHBondContact O-CB 3.38Å; K433-A437 PolarHBondContact O-N 3.16Å; F434-A437 PolarHBondContact O-N 2.87Å; F434-A437 VanDerWaalsContact O-N 3.15Å; N435-A437 VanDerWaalsContact C-N 3.34Å; A437-T441 VanDerWaalsContact O-CG2 3.25Å; A437-T441 WeakPolarHBondContact O-CG2 3.28Å; A437-T441 PolarHBondContact O-OG1 2.83Å
438V85.5Confident70.8Confident55 Ų5570.6 Ų70.633%0.33338%0.376SS..Hα-helixtrans-77.2-39.8174.7173.80000111.7Y333 F434 N435 E436 T441 S442Y333-V438 HydrophobicContact CD1-CG2 3.46Å; Y333-V438 VanDerWaalsContact CD1-CG2 3.46Å; Y333-V438 HydrophobicContact CE1-CG2 3.62Å; Y333-V438 HydrophobicContact CG-CG2 4.18Å; F434-V438 HydrophobicContact CD2-CG2 4.24Å; F434-V438 HydrophobicContact CE1-CG2 4.17Å; F434-V438 HydrophobicContact CE2-CG2 3.86Å; F434-V438 HydrophobicContact CZ-CG2 3.82Å; F434-V438 WeakPolarHBondContact O-CG2 3.33Å; F434-V438 PolarHBondContact O-N 3.26Å; N435-V438 PolarHBondContact O-N 3.39Å; E436-V438 VanDerWaalsContact C-N 3.33Å; E436-V438 PolarHBondContact O-N 3.35Å; V438-T441 PolarHBondContact O-N 2.76Å; V438-T441 PolarHBondContact O-OG1 3.42Å; V438-S442 PolarHBondContact O-N 2.76Å; V438-S442 VanDerWaalsContact O-N 3.09Å
439A81.6Confident67.7Low47 Ų4774.1 Ų74.139%0.38839%0.394SS..Hα-helixtrans-64.7-42.5178.400000111.8N435 E436 T441 S442 D443N435-A439 WeakPolarHBondContact O-CB 3.43Å; N435-A439 PolarHBondContact O-N 3.33Å; E436-A439 PolarHBondContact O-N 3.36Å; A439-T441 PolarHBondContact O-N 2.8Å; A439-T441 VanDerWaalsContact O-N 3.07Å; A439-S442 PolarHBondContact O-N 3.1Å; A439-S442 PolarHBondContact O-OG 3.06Å; A439-D443 PolarHBondContact O-N 2.87Å
440N76.3Confident64.6Low83 Ų8375.6 Ų75.644%0.44441%0.411SS..Hα-helixtrans-62.4-16176.8-74.2-36.7000113.6E436 N444E436-N440 WeakPolarHBondContact O-CB 3.47Å; E436-N440 PolarHBondContact O-N 3.12Å; E436-N440 PolarHBondContact O-ND2 2.82Å; N440-N444 PolarHBondContact O-ND2 2.88Å; N440-N444 VanDerWaalsContact O-ND2 3.17Å
441T66.5Low61.5Low23 Ų2382.4 Ų82.414%0.14145%0.447CS..Hα-helixtrans-100.7-34.3-179.458.40000111.7H329 Y333 A437 V438 A439 D443 N444 E445H329-T441 VanDerWaalsContact CE1-CB 3.45Å; H329-T441 WeakPolarHBondContact CE1-CB 3.45Å; H329-T441 WeakPolarHBondContact CE1-CG2 3.22Å; H329-T441 WeakPolarHBondContact NE2-CB 3.43Å; H329-T441 PolarHBondContact NE2-OG1 2.81Å; Y333-T441 WeakPolarHBondContact OH-CG2 3.36Å; A437-T441 VanDerWaalsContact O-CG2 3.25Å; A437-T441 WeakPolarHBondContact O-CG2 3.28Å; A437-T441 PolarHBondContact O-OG1 2.83Å; V438-T441 PolarHBondContact O-N 2.76Å; V438-T441 PolarHBondContact O-OG1 3.42Å; A439-T441 PolarHBondContact O-N 2.8Å; A439-T441 VanDerWaalsContact O-N 3.07Å; T441-D443 VanDerWaalsContact C-N 3.26Å; T441-D443 PolarHBondContact O-N 3.46Å; T441-N444 PolarHBondContact O-N 2.89Å; T441-N444 VanDerWaalsContact O-N 3.07Å; T441-E445 PolarHBondContact O-N 3.04Å
442S54.4Low58.4Low50 Ų5085.8 Ų85.835%0.3547%0.469SS..Hα-helixtrans-59.9-35.5170.856.70000112.8V438 A439 N444 E445 V446V438-S442 PolarHBondContact O-N 2.76Å; V438-S442 VanDerWaalsContact O-N 3.09Å; A439-S442 PolarHBondContact O-N 3.1Å; A439-S442 PolarHBondContact O-OG 3.06Å; S442-N444 PolarHBondContact O-N 3.33Å; S442-E445 PolarHBondContact O-N 3.41Å; S442-V446 WeakPolarHBondContact O-CG2 3.24Å; S442-V446 PolarHBondContact O-N 3.16Å
443D43.3Very low55.2Low120 Ų12088.1 Ų88.164%0.64249%0.49SS*.Hα-helixtrans-63-27.1177.1-73.7-15.2000112.6A439 T441A439-D443 PolarHBondContact O-N 2.87Å; T441-D443 VanDerWaalsContact C-N 3.26Å; T441-D443 PolarHBondContact O-N 3.46Å
444N42.9Very low52.1Low113 Ų11391 Ų9160%0.60451%0.509SS*.Hα-helixtrans-83.3-28174.3-66.7-44.9000112.5N440 T441 S442N440-N444 PolarHBondContact O-ND2 2.88Å; N440-N444 VanDerWaalsContact O-ND2 3.17Å; T441-N444 PolarHBondContact O-N 2.89Å; T441-N444 VanDerWaalsContact O-N 3.07Å; S442-N444 PolarHBondContact O-N 3.33Å
445E37.5Very low49Very low111 Ų11198.8 Ų98.852%0.51954%0.543SS..Hα-helixtrans-82.1-26.7178.1-71.5-167.215600113.8T441 S442 N447 D448T441-E445 PolarHBondContact O-N 3.04Å; S442-E445 PolarHBondContact O-N 3.41Å; E445-N447 PolarHBondContact O-N 2.96Å; E445-N447 VanDerWaalsContact O-N 3.15Å; E445-D448 PolarHBondContact O-N 3.29Å
446V29.7Very low45.9Very low91 Ų91101.3 Ų101.355%0.55256%0.556SS**G310 helixtrans-61.9-22.9176.8171.80000111.8S442 D448S442-V446 WeakPolarHBondContact O-CG2 3.24Å; S442-V446 PolarHBondContact O-N 3.16Å; V446-D448 VanDerWaalsContact C-N 3.31Å; V446-D448 PolarHBondContact O-N 3.24Å
447N34.2Very low42.9Very low134 Ų134106.1 Ų106.172%0.71758%0.579SS**G310 helixtrans-77.7-12.3173.5-125.37.9000114.1E445E445-N447 PolarHBondContact O-N 2.96Å; E445-N447 VanDerWaalsContact O-N 3.15Å
448D30.9Very low39.9Very low80 Ų80111.6 Ų111.643%0.42861%0.607SS.*G310 helixtrans-104.73.5-179.5-94.4-6.8000113.2K322 E445 V446 S450 L451K322-D448 IonicContact NZ-OD1 3.38Å; K322-D448 IonicContact NZ-OD2 3.92Å; K322-D448 PolarHBondContact NZ-OD2 2.91Å; E445-D448 PolarHBondContact O-N 3.29Å; V446-D448 VanDerWaalsContact C-N 3.31Å; V446-D448 PolarHBondContact O-N 3.24Å; D448-S450 PolarHBondContact O-N 3.42Å; D448-L451 PolarHBondContact O-N 3.5Å
449Q25Very low37Very low157 Ų157114.4 Ų114.473%0.73463%0.629SS**THydrogen-bonded Turntrans-67.715.2-177.4-81-169.89.200116L451Q449-L451 VanDerWaalsContact C-N 3.34Å
450S27.3Very low34.3Very low113 Ų113121.2 Ų121.279%0.7965%0.646SS**THydrogen-bonded Turntrans-85.82.7164.359.20000114.3D448D448-S450 PolarHBondContact O-N 3.42Å
451L25.5Very low31.8Very low143 Ų143124.7 Ų124.775%0.74966%0.664SS**SBendtrans-125.699.1175.9-134.475.4000113.1D448 Q449D448-L451 PolarHBondContact O-N 3.5Å; Q449-L451 VanDerWaalsContact C-N 3.34Å
452T26.6Very low29.8Very low105 Ų105132.5 Ų132.564%0.64470%0.695SS**  trans61.788.7148.753.90000119.1L454T452-L454 VanDerWaalsContact C-N 3.28Å; T452-L454 PolarHBondContact O-N 3.3Å
453T25.1Very low28.4Very low149 Ų149138.5 Ų138.591%0.91472%0.716SS**  trans-47.287.5143.4380000111.6
454L24.9Very low27.6Very low145 Ų145136.2 Ų136.276%0.75971%0.709SS**  trans-102.2114.4163.3-129.6112000108.8T452 N456T452-L454 VanDerWaalsContact C-N 3.28Å; T452-L454 PolarHBondContact O-N 3.3Å; L454-N456 PolarHBondContact O-N 3.47Å
455K27.2Very low26.7Very low192 Ų192135.6 Ų135.684%0.83571%0.711SS**  trans-65.294.6-176.7-64.8172.8176.2179.30110.7
456N25.5Very low26.1Very low138 Ų138135.4 Ų135.474%0.73872%0.722SS**  trans-94.689.3159.8-77.6-9.9000108.5L454 D458L454-N456 PolarHBondContact O-N 3.47Å; N456-D458 PolarHBondContact O-N 2.9Å; N456-D458 VanDerWaalsContact O-N 3.1Å
457E24.2Very low25.9Very low168 Ų168136.9 Ų136.979%0.78573%0.731SS**  trans-76.872.8162.7-70.4-157.6167.800109.5
458D24.7Very low25.4Very low126 Ų126139.5 Ų139.567%0.67473%0.732SS**  trans-95.998.5160.1-76.2-30.9000107.5N456 Y460N456-D458 PolarHBondContact O-N 2.9Å; N456-D458 VanDerWaalsContact O-N 3.1Å; D458-Y460 HydrophobicContact CB-CD2 4.25Å; D458-Y460 HydrophobicContact CB-CE2 4.48Å; D458-Y460 PolarHBondContact O-N 3.41Å
459S23.6Very low25.1Very low114 Ų114145 Ų14580%0.79775%0.752SS**  trans-71.665.1-178.1-54.10000110.5L461S459-L461 PolarHBondContact O-N 2.91Å
460Y24.9Very low25Very low191 Ų191143.2 Ų143.275%0.74975%0.752SS**  trans-73108.4164.3-85.3-86.2000107.9D458 K462D458-Y460 HydrophobicContact CB-CD2 4.25Å; D458-Y460 HydrophobicContact CB-CE2 4.48Å; D458-Y460 PolarHBondContact O-N 3.41Å; Y460-K462 PolarHBondContact O-N 3.24Å
461L24Very low24.9Very low156 Ų156143.5 Ų143.582%0.81775%0.749SS**  trans-5.694.7168.3-79.9148.7000113S459 F463S459-L461 PolarHBondContact O-N 2.91Å; L461-F463 VanDerWaalsContact C-N 3.29Å; L461-F463 PolarHBondContact O-N 3.18Å
462K24.6Very low24.9Very low186 Ų186143.8 Ų143.881%0.80975%0.751SS**  trans-62.990.5167.7-87.4-177.5170.3177.10108.5Y460 S464Y460-K462 PolarHBondContact O-N 3.24Å; K462-S464 WeakPolarHBondContact CB-OG 3.35Å; K462-S464 WeakPolarHBondContact CD-OG 3.29Å; K462-S464 WeakPolarHBondContact CG-OG 3.46Å; K462-S464 PolarHBondContact O-N 3.44Å
463F25.4Very low24.8Very low176 Ų176147.8 Ų147.877%0.77276%0.76SS**  trans-8077137.5-70.2-77.2000105.6L461L461-F463 VanDerWaalsContact C-N 3.29Å; L461-F463 PolarHBondContact O-N 3.18Å
464S24.8Very low24.8Very low73 Ų73148.9 Ų148.951%0.5175%0.754SS.*  trans-74.5124.1170-66.20000106.6K462 S466K462-S464 WeakPolarHBondContact CB-OG 3.35Å; K462-S464 WeakPolarHBondContact CD-OG 3.29Å; K462-S464 WeakPolarHBondContact CG-OG 3.46Å; K462-S464 PolarHBondContact O-N 3.44Å; S464-S466 PolarHBondContact O-N 3.43Å
465P25.6Very low24.8Very low99 Ų99152 Ų15264%0.64376%0.762SS**  trans-59.2125.3170.324.9-29.7000106.6V467P465-V467 HydrophobicContact CB-CG2 4.23Å; P465-V467 HydrophobicContact CG-CG2 4.27Å; P465-V467 PolarHBondContact O-N 2.8Å
466S23.7Very low24.7Very low108 Ų108148 Ų14876%0.75575%0.754SS**  trans-67.667171.340.40000109S464 Y468S464-S466 PolarHBondContact O-N 3.43Å; S466-Y468 PolarHBondContact O-N 3.33Å; S466-Y468 VanDerWaalsContact O-N 3.08Å
467V26.8Very low24.5Very low122 Ų122150.4 Ų150.474%0.73976%0.762SS**  trans-63.6114.6168.7179.80000106.4P465 K469P465-V467 HydrophobicContact CB-CG2 4.23Å; P465-V467 HydrophobicContact CG-CG2 4.27Å; P465-V467 PolarHBondContact O-N 2.8Å; V467-K469 PolarHBondContact O-N 3.49Å
468Y23.6Very low24.6Very low188 Ų188152.4 Ų152.474%0.73776%0.764SS**  trans-27.8124.7177.1-85.1-101.3000112.9S466 V470S466-Y468 PolarHBondContact O-N 3.33Å; S466-Y468 VanDerWaalsContact O-N 3.08Å; Y468-V470 VanDerWaalsContact C-N 3.27Å; Y468-V470 PolarHBondContact O-N 3.15Å
469K23.4Very low25Very low195 Ų195151.8 Ų151.885%0.84877%0.767SS**  trans-53.793164.1-79.9175.2176.5169.10108.6V467 T471V467-K469 PolarHBondContact O-N 3.49Å; K469-T471 VanDerWaalsContact C-N 3.29Å; K469-T471 HydrophobicContact CB-CG2 4.46Å; K469-T471 PolarHBondContact O-N 2.71Å
470V24.4Very low24.9Very low120 Ų120153.6 Ų153.673%0.72777%0.768SS**  trans-69.197.9158.7178.60000105.4Y468 N472Y468-V470 VanDerWaalsContact C-N 3.27Å; Y468-V470 PolarHBondContact O-N 3.15Å; V470-N472 PolarHBondContact O-N 2.9Å
471T23.3Very low24.9Very low119 Ų119152.9 Ų152.973%0.7377%0.771SS**  trans-70.263.8177.841.50000110.9K469 K473K469-T471 VanDerWaalsContact C-N 3.29Å; K469-T471 HydrophobicContact CB-CG2 4.46Å; K469-T471 PolarHBondContact O-N 2.71Å; T471-K473 VanDerWaalsContact C-N 3.26Å; T471-K473 PolarHBondContact O-N 3.14Å
472N25.5Very low25Very low149 Ų149151.8 Ų151.880%0.79777%0.765SS**  trans-82.179.1166.2-101.5-14.6000109.7V470 H474V470-N472 PolarHBondContact O-N 2.9Å; N472-H474 VanDerWaalsContact C-N 3.34Å; N472-H474 PolarHBondContact O-N 3.32Å
473K25Very low25.2Very low189 Ų189150.2 Ų150.282%0.82277%0.766SS**  trans-6496.3156.7-77-179.1177.51770107.6T471T471-K473 VanDerWaalsContact C-N 3.26Å; T471-K473 PolarHBondContact O-N 3.14Å
474H26.6Very low25.3Very low172 Ų172152.2 Ų152.280%0.79677%0.768SS**  trans-157.892.4143.5-92.8-55.6000109.6N472 T476N472-H474 VanDerWaalsContact C-N 3.34Å; N472-H474 PolarHBondContact O-N 3.32Å; H474-T476 PolarHBondContact O-N 2.95Å
475K23Very low25.5Very low212 Ų212157.8 Ų157.892%0.92278%0.783SS**  trans-77.390.8168.5-155.9-178.7-167.8-176.60106.9
476T26.3Very low25.7Very low107 Ų107162.5 Ų162.566%0.65679%0.789SS**  trans-115.894.5165.242.70000108.8H474 Y478H474-T476 PolarHBondContact O-N 2.95Å; T476-Y478 PolarHBondContact O-N 3.48Å
477M20.4Very low26Very low188 Ų188164.2 Ų164.293%0.92679%0.79SS**  trans-51.2114.7159.6-173.7171.4158.700108.6
478Y26.6Very low26.2Very low210 Ų210166.5 Ų166.582%0.82479%0.793SS**  trans-134.4140.5162.9-97-85.2000109.7T476T476-Y478 PolarHBondContact O-N 3.48Å
479P33.4Very low26.6Very low113 Ų113165 Ų16573%0.73479%0.79SS**  trans-87.9155.3-160.7126.5000112.2E481P479-E481 PolarHBondContact O-N 3.01Å
480N22.3Very low27Very low152 Ų152161.8 Ų161.881%0.81378%0.778SS**  trans-44.1113169-68.8-30.4000112.8
481E25.3Very low27.4Very low176 Ų176161.6 Ų161.682%0.82277%0.772SS**  trans-121.2100.8147.6-82.6-169.6167.300108.9P479 N483P479-E481 PolarHBondContact O-N 3.01Å; E481-N483 PolarHBondContact O-N 2.86Å
482I24.9Very low27.8Very low134 Ų134160 Ų16069%0.68776%0.759SS**  trans-66.990.7173.4-63.7163.6000107.4R484I482-R484 HydrophobicContact CG2-CG 3.85Å; I482-R484 PolarHBondContact O-N 2.69Å
483N28.1Very low28.3Very low153 Ų153155.5 Ų155.582%0.81874%0.736SS**  trans-94.680.2164.3-101.7-42.7000109.5E481 K485E481-N483 PolarHBondContact O-N 2.86Å; N483-K485 PolarHBondContact O-N 3.1Å
484R29Very low28.6Very low217 Ų217148.9 Ų148.982%0.81971%0.713SS**  trans-59.4109.3162.5-80.4175.1175176.9-2109.4I482I482-R484 HydrophobicContact CG2-CG 3.85Å; I482-R484 PolarHBondContact O-N 2.69Å
485K29.3Very low29.2Very low190 Ų190148.2 Ų148.283%0.82671%0.708SS**  trans-153.868.6149.7-95.2-176.5-172177.10108.8N483 N487N483-K485 PolarHBondContact O-N 3.1Å; K485-N487 PolarHBondContact O-N 3.47Å
486Y29.1Very low29.9Very low199 Ų199144.2 Ų144.278%0.7870%0.702SS**  trans-77104.2162.4-89.1-86000107.7E488Y486-E488 VanDerWaalsContact C-N 3.25Å; Y486-E488 PolarHBondContact O-N 3.4Å
487N30.4Very low30.2Very low144 Ų144144.6 Ų144.677%0.7770%0.696SS**  trans-75.780.4168.9-74-19.7000108.3K485 K489K485-N487 PolarHBondContact O-N 3.47Å; N487-K489 PolarHBondContact O-N 3.22Å; N487-K489 VanDerWaalsContact O-N 3.08Å
488E30.5Very low30.9Very low170 Ų170144.1 Ų144.179%0.79470%0.697SS**  trans-66.4105.4166.4-76.6-175.7166.300108.5Y486 Q490Y486-E488 VanDerWaalsContact C-N 3.25Å; Y486-E488 PolarHBondContact O-N 3.4Å; E488-Q490 PolarHBondContact O-N 3.06Å
489K31.4Very low31.2Very low157 Ų157140.3 Ų140.368%0.68369%0.69SS**  trans-70.896.9170.7-65.5178179.7179.30107.4N487 L491N487-K489 PolarHBondContact O-N 3.22Å; N487-K489 VanDerWaalsContact O-N 3.08Å; K489-L491 PolarHBondContact O-N 3.46Å
490Q33Very low31.1Very low126 Ų126138.3 Ų138.359%0.58968%0.677SS**  trans-65.7118.6170.6-92.3178.2-14.700109.4E488E488-Q490 PolarHBondContact O-N 3.06Å
491L32.1Very low31.5Very low116 Ų116136.3 Ų136.361%0.60766%0.661SS**EExtended strand (participates in β ladder)trans-86.4120.5170.1-69.2167000107.4K489 T502 T504K489-L491 PolarHBondContact O-N 3.46Å; L491-T502 HydrophobicContact CB-CG2 3.76Å; L491-T502 HydrophobicContact CD2-CG2 3.93Å; L491-T502 HydrophobicContact CG-CG2 4.34Å; L491-T504 HydrophobicContact CD2-CG2 3.53Å
492I32.5Very low32.1Very low87 Ų87131.6 Ų131.645%0.44664%0.644SS.*EExtended strand (participates in β ladder)trans-110.2117.7176.3-61.1174.8000107.5F503I492-F503 PolarHBondContact N-O 2.81Å; I492-F503 PolarHBondContact O-N 3.01Å
493T35.6Very low32.9Very low53 Ų53131.1 Ų131.133%0.32564%0.637SS.*EExtended strand (participates in β ladder)trans-94.6116.5175.1-540000108.7F495 P500 K501 T502T493-F495 HydrophobicContact CG2-CE1 4.47Å; T493-F495 HydrophobicContact CG2-CE2 4.22Å; T493-F495 HydrophobicContact CG2-CZ 4.05Å; T493-F495 WeakPolarHBondContact O-CD2 3.47Å; T493-F495 WeakPolarHBondContact O-CE2 3.27Å; T493-P500 HydrophobicContact CG2-CB 3.6Å; T493-K501 WeakPolarHBondContact CA-O 3.18Å; T493-T502 PolarHBondContact OG1-OG1 2.85Å
494C30.1Very low33.3Very low50 Ų50128.1 Ų128.134%0.33863%0.625SS.*EExtended strand (participates in β ladder)trans-92.4135.9177.1-164.50000109.7T496 K501 F503C494-T496 PolarHBondContact SG-OG1 3.01Å; C494-T496 VanDerWaalsContact SG-OG1 3.34Å; C494-K501 PolarHBondContact N-O 3.07Å; C494-K501 PolarHBondContact O-N 3.04Å; C494-F503 HydrophobicContact CB-CD2 4.4Å; C494-F503 HydrophobicContact CB-CE2 4.05Å
495F40.1Very low33.4Very low159 Ų159122.4 Ų122.470%0.69761%0.61SS**  trans-108.715.9-174.8-66.9-87.3000113.2T493 E497 P500T493-F495 HydrophobicContact CG2-CE1 4.47Å; T493-F495 HydrophobicContact CG2-CE2 4.22Å; T493-F495 HydrophobicContact CG2-CZ 4.05Å; T493-F495 WeakPolarHBondContact O-CD2 3.47Å; T493-F495 WeakPolarHBondContact O-CE2 3.27Å; F495-E497 PolarHBondContact O-N 3.47Å; F495-P500 HydrophobicContact CD1-CB 4Å; F495-P500 HydrophobicContact CE1-CB 3.87Å; F495-P500 HydrophobicContact CE1-CG 4.45Å
496T37.2Very low33.7Very low127 Ų127119.4 Ų119.478%0.77960%0.603SS**SBendtrans-76.3-9.3-178.350.10000114C494C494-T496 PolarHBondContact SG-OG1 3.01Å; C494-T496 VanDerWaalsContact SG-OG1 3.34Å
497E32.3Very low33.8Very low116 Ų116118.1 Ų118.154%0.54260%0.601SS.*SBendtrans-119.5150.1173.3-66.9-179.1176.100110F495 I499 K501F495-E497 PolarHBondContact O-N 3.47Å; E497-I499 CarbonylContact O-C 3.44Å; E497-I499 PolarHBondContact O-N 3.33Å; E497-K501 IonicContact OE2-NZ 2.77Å; E497-K501 PolarHBondContact OE2-NZ 3.24Å
498N36.3Very low33.9Very low177 Ų177117.9 Ų117.995%0.94760%0.6SS**SBendtrans-56.6-4.9-175.6-74-4.3000115.3
499I32.1Very low33.8Very low130 Ų130115.2 Ų115.267%0.66760%0.596SS**SBendtrans-130.5120.8169.1-55.2173.3000108.6E497 K501E497-I499 CarbonylContact O-C 3.44Å; E497-I499 PolarHBondContact O-N 3.33Å; I499-K501 PolarHBondContact O-N 3.08Å
500P30.7Very low33.6Very low71 Ų71113.8 Ų113.846%0.46160%0.6SS.*  trans-62.5128-177.121.3-29.9000111.6T493 F495T493-P500 HydrophobicContact CG2-CB 3.6Å; F495-P500 HydrophobicContact CD1-CB 4Å; F495-P500 HydrophobicContact CE1-CB 3.87Å; F495-P500 HydrophobicContact CE1-CG 4.45Å
501K32.6Very low33.2Very low111 Ų111113.8 Ų113.848%0.48361%0.609SS.*EExtended strand (participates in β ladder)trans-113130.6174.7-74.2174.3-173.7152.80110.3T493 C494 E497 I499 F503T493-K501 WeakPolarHBondContact CA-O 3.18Å; C494-K501 PolarHBondContact N-O 3.07Å; C494-K501 PolarHBondContact O-N 3.04Å; E497-K501 IonicContact OE2-NZ 2.77Å; E497-K501 PolarHBondContact OE2-NZ 3.24Å; I499-K501 PolarHBondContact O-N 3.08Å; K501-F503 HydrophobicContact CB-CE2 4.06Å; K501-F503 HydrophobicContact CB-CZ 4.06Å
502T36.7Very low32.8Very low76 Ų76117.6 Ų117.647%0.46662%0.616SS.*EExtended strand (participates in β ladder)trans-98.9124.1-178.9-49.50000110.6L491 T493L491-T502 HydrophobicContact CB-CG2 3.76Å; L491-T502 HydrophobicContact CD2-CG2 3.93Å; L491-T502 HydrophobicContact CG-CG2 4.34Å; T493-T502 PolarHBondContact OG1-OG1 2.85Å
503F41.2Very low32.5Very low124 Ų124120.6 Ų120.654%0.54463%0.633SS.*EExtended strand (participates in β ladder)trans-107.4144.2178.2-58.3-83000110.6I492 C494 K501I492-F503 PolarHBondContact N-O 2.81Å; I492-F503 PolarHBondContact O-N 3.01Å; C494-F503 HydrophobicContact CB-CD2 4.4Å; C494-F503 HydrophobicContact CB-CE2 4.05Å; K501-F503 HydrophobicContact CB-CE2 4.06Å; K501-F503 HydrophobicContact CB-CZ 4.06Å
504T36.4Very low32.1Very low91 Ų91125.2 Ų125.256%0.55865%0.651SS**EExtended strand (participates in β ladder)trans-94.2112.1173440000109L491 N506L491-T504 HydrophobicContact CD2-CG2 3.53Å; T504-N506 PolarHBondContact O-N 2.67Å
505L31.4Very low31.7Very low97 Ų97133.2 Ų133.251%0.50867%0.674SS.*  trans-82.495.9178.3-158.689.4000109.4K507L505-K507 HydrophobicContact CD2-CG 4.32Å; L505-K507 PolarHBondContact O-N 3.3Å; L505-K507 VanDerWaalsContact O-N 3.15Å
506N36.2Very low31.1Very low126 Ų126132 Ų13267%0.67468%0.679SS**  trans-76.496.7169.2-86.1-19.6000109T504 N508T504-N506 PolarHBondContact O-N 2.67Å; N506-N508 PolarHBondContact O-N 3.27Å; N506-N508 VanDerWaalsContact O-N 3.13Å
507K31.8Very low30.5Very low172 Ų172134 Ų13475%0.74868%0.68SS**  trans-64.4110.4167.4-75.3-176177.8177.10108.6L505L505-K507 HydrophobicContact CD2-CG 4.32Å; L505-K507 PolarHBondContact O-N 3.3Å; L505-K507 VanDerWaalsContact O-N 3.15Å
508N30.9Very low30.2Very low139 Ų139137.6 Ų137.674%0.74370%0.697SS**  trans-129.2133.7166.7-92.8-10.9000111.9N506N506-N508 PolarHBondContact O-N 3.27Å; N506-N508 VanDerWaalsContact O-N 3.13Å
509T29.3Very low29.7Very low115 Ų115133.1 Ų133.171%0.70668%0.684SS**  trans69.788.5153.338.50000117.1V511T509-V511 PolarHBondContact O-N 2.95Å
510T26.6Very low29.2Very low127 Ų127132.4 Ų132.478%0.77969%0.69SS**  trans-16.293.5134.949.50000113.1Y512T510-Y512 PolarHBondContact O-N 3.03Å
511V26Very low29.1Very low126 Ų126137.5 Ų137.576%0.76471%0.708SS**  trans-83.897.1153.7179.80000104.7T509 D513T509-V511 PolarHBondContact O-N 2.95Å; V511-D513 PolarHBondContact O-N 3.38Å
512Y22.7Very low28.6Very low196 Ų196140.2 Ų140.277%0.76972%0.724SS**  trans-58.6114.9156.6-103.8-101.2000105.9T510T510-Y512 PolarHBondContact O-N 3.03Å
513D26.4Very low28.2Very low149 Ų149146.1 Ų146.180%0.79774%0.744SS**  trans-128.4128.1157.4-142.5-13.7000109.2V511V511-D513 PolarHBondContact O-N 3.38Å
514H26.5Very low27.4Very low150 Ų150146.9 Ų146.969%0.69475%0.753SS**  trans-75.4146.3-162.6-89.4-75.7000111.5T516H514-T516 PolarHBondContact O-N 3.41Å
515R22.5Very low26.9Very low218 Ų218147.4 Ų147.482%0.82376%0.761SS**  trans-26.2115.9160.4-69175.4-177.7176.5-1.5112.8
516T27.2Very low26.7Very low133 Ų133151.4 Ų151.482%0.81678%0.781SS**  trans-113.695.4141.535.30000107.2H514 E518H514-T516 PolarHBondContact O-N 3.41Å; T516-E518 PolarHBondContact O-N 2.98Å
517H24.3Very low26Very low170 Ų170154.6 Ų154.679%0.78779%0.789SS**  trans-59.8111.3153.1-91.2-90.1000106.7
518E27Very low25.5Very low192 Ų192151.9 Ų151.990%0.89779%0.791SS**  trans-146.3139.1155.6-115.6170-154.800110.4T516T516-E518 PolarHBondContact O-N 2.98Å
519A25.4Very low25.2Very low82 Ų82153.9 Ų153.968%0.67880%0.795SS**  trans-78.9159-15000000113.9H521A519-H521 PolarHBondContact O-N 3.23Å
520S22.2Very low24.9Very low115 Ų115153.3 Ų153.380%0.80480%0.796SS**  trans-28.9110.2161.851.40000114.5
521H26.9Very low25Very low179 Ų179154.7 Ų154.783%0.82980%0.799SS**  trans-111.195.1153.3-90.7-67.8000109.1A519 K523A519-H521 PolarHBondContact O-N 3.23Å; H521-K523 PolarHBondContact O-N 3.46Å
522M22.3Very low25Very low168 Ų168157 Ų15783%0.82880%0.801SS**  trans-56.6122.5149-85.6-159.6156.300108.4
523K29.2Very low25Very low200 Ų200154 Ų15487%0.8780%0.796SS**  trans-144.5119.8150.5-109.1175.9-176178.60109.4H521H521-K523 PolarHBondContact O-N 3.46Å
524N24.7Very low25.1Very low139 Ų139155.6 Ų155.674%0.74380%0.803SS**  trans-60.5156.8-177.4-69.7-35.2000113.6
525S25.6Very low25Very low103 Ų103155.1 Ų155.172%0.7280%0.802SS**  trans61.4105142.564.40000118.2
526L26.3Very low25.3Very low180 Ų180150.7 Ų150.794%0.94279%0.794SS**  trans-140.894.9135.3-113.2119.9000111
527K23.3Very low25.3Very low193 Ų193150.8 Ų150.884%0.83980%0.797SS**  trans-10.4134150.7-129.9166.8179.4178.10116.5
528C19.8Very low25.4Very low116 Ų116147.3 Ų147.378%0.78479%0.792SS**  trans-40.5135.3159-69.10000113.3
529H26.2Very low25.4Very low180 Ų180145.2 Ų145.283%0.83378%0.782SS**  trans-112.1102.3142.5-95.8-72.3000107.8
530S22.4Very low25.6Very low103 Ų103150.8 Ų150.872%0.7279%0.791SS**  trans-74.3106.6160.543.40000108
531D29.2Very low25.9Very low156 Ų156151.3 Ų151.383%0.83479%0.785SS**  trans-96.9125.5162.4-84.8-24.1000109.6
532Q25.1Very low26.2Very low174 Ų174151.2 Ų151.281%0.81378%0.782SS**  trans-68.5151.3-175.6-86.2171.7-19.300113
533M23.5Very low26.5Very low134 Ų134151.1 Ų151.166%0.6678%0.779SS**  trans66.197.9137.6-64.1-92.3133.800117.3E535M533-E535 HydrophobicContact SD-CG 4.21Å
534L28.5Very low26.5Very low183 Ų183147.6 Ų147.696%0.95877%0.774SS**  trans-135.299.4130.4-132.195.3000108.4
535E23.7Very low26.7Very low140 Ų140150 Ų15065%0.65478%0.778SS**  trans-70.9132.4170.6-72.8179.1146.200110.7M533M533-E535 HydrophobicContact SD-CG 4.21Å
536N28.1Very low26.8Very low125 Ų125153.6 Ų153.667%0.66878%0.784SS**  trans64.6133.8146.4-64.8-25000119.3
537P27.9Very low26.8Very low135 Ų135152.9 Ų152.988%0.87778%0.78SS**  -132.1134.571.231.1-14000115.4
538S25.7Very low26.8Very low96 Ų96151.5 Ų151.567%0.67178%0.778SS**  trans-71.5129.9160.244.10000110.9
539H28.1Very low27.3Very low149 Ų149151.6 Ų151.669%0.6978%0.775SS**  trans169.692.7131.6-126.3-76.3000108.1D541H539-D541 IonicContact CE1-OD2 3.82Å; H539-D541 PolarHBondContact CE1-OD2 2.84Å; H539-D541 IonicContact ND1-OD2 3.9Å
540F29Very low27.3Very low198 Ų198150 Ų15087%0.86877%0.768SS**  trans-132.292.1156.3-91.5-77.9000106.8K542F540-K542 PolarHBondContact O-N 3.38Å
541D29.2Very low27.5Very low127 Ų127152.9 Ų152.968%0.67977%0.774SS**  trans-60.885.5165-88.2-41.4000108.6H539 H543H539-D541 IonicContact CE1-OD2 3.82Å; H539-D541 PolarHBondContact CE1-OD2 2.84Å; H539-D541 IonicContact ND1-OD2 3.9Å; D541-H543 PolarHBondContact O-N 3.08Å
542K31.8Very low27.4Very low176 Ų176150.2 Ų150.277%0.76576%0.76SS**  trans-87.291163.8-85.8-177.3176.3177.10107.4F540 T544F540-K542 PolarHBondContact O-N 3.38Å; K542-T544 PolarHBondContact O-N 3Å
543H29.1Very low27.3Very low167 Ų167145.9 Ų145.977%0.77375%0.749SS**  trans-57.783.3157.2-83.2-68.9000109.7D541 K545D541-H543 PolarHBondContact O-N 3.08Å; H543-K545 VanDerWaalsContact C-N 3.3Å; H543-K545 PolarHBondContact O-N 3.04Å; H543-K545 VanDerWaalsContact O-N 3.08Å
544T28.7Very low27.4Very low125 Ų125143.1 Ų143.177%0.76774%0.741SS**  trans-71.991.8159.634.30000107.2K542 E546K542-T544 PolarHBondContact O-N 3Å; T544-E546 PolarHBondContact O-N 2.74Å; T544-E546 VanDerWaalsContact O-N 3.1Å
545K29.4Very low27.2Very low190 Ų190142.2 Ų142.283%0.82673%0.73SS**  trans-57.8111.1163.4-75.6-179.3174.3-1780107.6H543 L547H543-K545 VanDerWaalsContact C-N 3.3Å; H543-K545 PolarHBondContact O-N 3.04Å; H543-K545 VanDerWaalsContact O-N 3.08Å; K545-L547 PolarHBondContact O-N 3.44Å
546E27.3Very low27.4Very low179 Ų179143.3 Ų143.384%0.83673%0.729SS**  trans-59106.5167.6-76.5177.2145.300108.2T544 M548T544-E546 PolarHBondContact O-N 2.74Å; T544-E546 VanDerWaalsContact O-N 3.1Å; E546-M548 PolarHBondContact O-N 3.34Å
547L26.5Very low27.3Very low164 Ų164139.6 Ų139.686%0.85971%0.713SS**  trans-74.478.1167.3-82.1155.1000107.7K545 T549K545-L547 PolarHBondContact O-N 3.44Å; L547-T549 PolarHBondContact O-N 2.78Å; L547-T549 VanDerWaalsContact O-N 3.11Å
548M24.7Very low27.5Very low164 Ų164135.2 Ų135.281%0.80869%0.688SS**  trans-63105.8155-79.6-92.8-71.900106E546 Q550E546-M548 PolarHBondContact O-N 3.34Å; M548-Q550 VanDerWaalsContact C-N 3.26Å; M548-Q550 PolarHBondContact O-N 3.16Å
549T29.7Very low27.9Very low118 Ų118134.9 Ų134.972%0.72468%0.681SS**  trans-6492.1174.347.40000108.3L547 I551L547-T549 PolarHBondContact O-N 2.78Å; L547-T549 VanDerWaalsContact O-N 3.11Å; T549-I551 PolarHBondContact O-N 3.37Å
550Q26.2Very low28.2Very low146 Ų146131.2 Ų131.268%0.68267%0.669SS**  trans-46.6110.3161-113170.4-24.700107.3M548 D552M548-Q550 VanDerWaalsContact C-N 3.26Å; M548-Q550 PolarHBondContact O-N 3.16Å; Q550-D552 WeakPolarHBondContact CG-OD1 3.42Å; Q550-D552 PolarHBondContact O-N 2.8Å
551I26Very low28.6Very low165 Ų165126.6 Ų126.685%0.84665%0.647SS**  trans-77.871.5160.4-55.3175.8000104.6T549 S553T549-I551 PolarHBondContact O-N 3.37Å; I551-S553 PolarHBondContact O-N 3.43Å
552D26.3Very low29.4Very low99 Ų99122.6 Ų122.653%0.52963%0.629SS.*  trans-68.1103.1165.4-73-22.3000105.2Q550 P554Q550-D552 WeakPolarHBondContact CG-OD1 3.42Å; Q550-D552 PolarHBondContact O-N 2.8Å; D552-P554 WeakPolarHBondContact O-CD 3.19Å; D552-P554 VanDerWaalsContact O-N 3.13Å
553S23.9Very low29.8Very low84 Ų84118.1 Ų118.159%0.58762%0.616SS**  trans-60.5113.1158.752.10000105.5I551 F555I551-S553 PolarHBondContact O-N 3.43Å; S553-F555 PolarHBondContact O-N 3.47Å
554P25.6Very low30.4Very low76 Ų76117.5 Ų117.549%0.49462%0.619SS.*  trans-59.4112.4178.121.8-32.1000108D552 Y556D552-P554 WeakPolarHBondContact O-CD 3.19Å; D552-P554 VanDerWaalsContact O-N 3.13Å; P554-Y556 HydrophobicContact CB-CD2 4.13Å; P554-Y556 HydrophobicContact CB-CE1 4.14Å; P554-Y556 HydrophobicContact CB-CE2 3.7Å; P554-Y556 HydrophobicContact CG-CD2 4.04Å; P554-Y556 HydrophobicContact CG-CE1 4.45Å; P554-Y556 HydrophobicContact CG-CE2 3.28Å; P554-Y556 WeakPolarHBondContact CG-OH 3.44Å; P554-Y556 VanDerWaalsContact O-CD2 3.31Å; P554-Y556 WeakPolarHBondContact O-CD2 3.44Å; P554-Y556 PolarHBondContact O-N 2.96Å
555F24.7Very low32.2Very low164 Ų164114.4 Ų114.472%0.71960%0.601SS**  trans-61.789.1163.7-88.1-93.1000106.8S553 S557S553-F555 PolarHBondContact O-N 3.47Å; F555-S557 VanDerWaalsContact C-N 3.31Å; F555-S557 PolarHBondContact O-N 3.33Å
556Y27Very low32.8Very low162 Ų162108.9 Ų108.964%0.63559%0.587SS**  trans-76.391169.7-66.6-71000107.6P554 A558P554-Y556 HydrophobicContact CB-CD2 4.13Å; P554-Y556 HydrophobicContact CB-CE1 4.14Å; P554-Y556 HydrophobicContact CB-CE2 3.7Å; P554-Y556 HydrophobicContact CG-CD2 4.04Å; P554-Y556 HydrophobicContact CG-CE1 4.45Å; P554-Y556 HydrophobicContact CG-CE2 3.28Å; P554-Y556 WeakPolarHBondContact CG-OH 3.44Å; P554-Y556 VanDerWaalsContact O-CD2 3.31Å; P554-Y556 WeakPolarHBondContact O-CD2 3.44Å; P554-Y556 PolarHBondContact O-N 2.96Å; Y556-A558 PolarHBondContact O-N 2.82Å
557S27.1Very low33.3Very low48 Ų48106.2 Ų106.234%0.33657%0.574SS.*EExtended strand (participates in β ladder)trans-76.1110.2165.457.10000108.4F555 E570F555-S557 VanDerWaalsContact C-N 3.31Å; F555-S557 PolarHBondContact O-N 3.33Å; S557-E570 VanDerWaalsContact CB-CG 3.46Å; S557-E570 WeakPolarHBondContact CB-OE1 3.25Å; S557-E570 PolarHBondContact OG-OE1 3.01Å
558A30.3Very low33.9Very low42 Ų42105.3 Ų105.335%0.34756%0.564SS.*EExtended strand (participates in β ladder)trans-86.2118.5179.700000108.4Y556 V560 I571Y556-A558 PolarHBondContact O-N 2.82Å; A558-V560 PolarHBondContact O-N 2.94Å; A558-I571 PolarHBondContact N-O 3.22Å; A558-I571 PolarHBondContact O-N 3.23Å
559V34.1Very low34.4Very low89 Ų89101.3 Ų101.354%0.53954%0.543SS..EExtended strand (participates in β ladder)trans-83.7110.6175-1770000108.5F568 H569 E570V559-F568 HydrophobicContact CG1-CB 3.58Å; V559-F568 HydrophobicContact CG1-CD1 3.87Å; V559-F568 HydrophobicContact CG1-CG 4.13Å; V559-H569 CarbonylContact C-O 3.58Å; V559-H569 WeakPolarHBondContact CA-O 3.17Å; V559-E570 HydrophobicContact CG2-CG 4.49Å
560V35.2Very low34.5Very low72 Ų72102.3 Ų102.344%0.43654%0.539SS..EExtended strand (participates in β ladder)trans-105.8127.7178.7-177.70000109.5A558 C562 H569 I571A558-V560 PolarHBondContact O-N 2.94Å; V560-C562 PolarHBondContact O-N 3.09Å; V560-H569 PolarHBondContact N-O 3.48Å; V560-H569 PolarHBondContact O-N 2.89Å; V560-I571 HydrophobicContact CB-CD1 4.01Å; V560-I571 HydrophobicContact CG2-CD1 3.84Å; V560-I571 HydrophobicContact CG2-CG1 4.46Å
561Y38.4Very low34.8Very low102 Ų10298.8 Ų98.840%0.452%0.524SS..EExtended strand (participates in β ladder)trans-75.1120.2173.8-177-101.6000110.2T563 S566 F568Y561-T563 HydrophobicContact CD1-CG2 4.28Å; Y561-T563 HydrophobicContact CE1-CG2 4.41Å; Y561-S566 VanDerWaalsContact CE2-C 3.47Å; Y561-S566 VanDerWaalsContact CE2-O 3.29Å; Y561-S566 WeakPolarHBondContact CE2-O 3.3Å; Y561-S566 WeakPolarHBondContact OH-CA 3.46Å; Y561-S566 WeakPolarHBondContact OH-CB 3.41Å; Y561-S566 PolarHBondContact OH-OG 3.3Å; Y561-F568 AromaticContact CD2-CD1 3.92Å; Y561-F568 HydrophobicContact CD2-CD1 3.92Å; Y561-F568 HydrophobicContact CD2-CD2 4.03Å; Y561-F568 AromaticContact CD2-CE1 3.67Å; Y561-F568 HydrophobicContact CD2-CE1 3.67Å; Y561-F568 AromaticContact CD2-CE2 3.76Å; Y561-F568 HydrophobicContact CD2-CE2 3.76Å; Y561-F568 HydrophobicContact CD2-CG 4.1Å; Y561-F568 AromaticContact CD2-CZ 3.58Å; Y561-F568 HydrophobicContact CD2-CZ 3.58Å; Y561-F568 HydrophobicContact CE2-CE2 4.13Å; Y561-F568 HydrophobicContact CE2-CZ 4.2Å; Y561-F568 HydrophobicContact CG-CD1 4.41Å; Y561-F568 HydrophobicContact CG-CE1 4.13Å; Y561-F568 HydrophobicContact CG-CZ 4.39Å
562C44.2Very low34.9Very low43 Ų4395.7 Ų95.729%0.29151%0.509SS..EExtended strand (participates in β ladder)trans-84.1115.7172.8174.20000109.5V560 N564 C565 S566 E567 H569V560-C562 PolarHBondContact O-N 3.09Å; C562-N564 PolarHBondContact O-N 3.46Å; C562-C565 VanDerWaalsContact CB-SG 3.6Å; C562-C565 PolarHBondContact O-N 2.89Å; C562-S566 VanDerWaalsContact O-CA 3.29Å; C562-S566 WeakPolarHBondContact O-CA 3.12Å; C562-S566 PolarHBondContact O-N 3.38Å; C562-E567 PolarHBondContact N-O 3.22Å; C562-H569 VanDerWaalsContact CB-CD2 3.43Å; C562-H569 WeakPolarHBondContact CB-CD2 3.42Å
563T40.1Very low35.1Very low82 Ų8296.9 Ų96.950%0.50352%0.515SS..THydrogen-bonded Turntrans-65.5-20.9-179.6520000113.4Y561Y561-T563 HydrophobicContact CD1-CG2 4.28Å; Y561-T563 HydrophobicContact CE1-CG2 4.41Å
564N41.9Very low35.2Very low154 Ų154101.1 Ų101.182%0.82453%0.53SS*.THydrogen-bonded Turntrans-84.5-31.6-178-81.612.7000114C562C562-N564 PolarHBondContact O-N 3.46Å
565C68.1Low35.2Very low60 Ų60100.3 Ų100.341%0.40553%0.526SS..THydrogen-bonded Turntrans-109.1-3.117458.40000113.3C562 E567 H569C562-C565 VanDerWaalsContact CB-SG 3.6Å; C562-C565 PolarHBondContact O-N 2.89Å; C565-E567 PolarHBondContact O-N 3.39Å; C565-H569 PolarHBondContact SG-NE2 3.08Å
566S41Very low35.5Very low74 Ų7498.3 Ų98.352%0.51753%0.53SS..THydrogen-bonded Turntrans57.425.8-176.6-54.30000113.7Y561 C562Y561-S566 VanDerWaalsContact CE2-C 3.47Å; Y561-S566 VanDerWaalsContact CE2-O 3.29Å; Y561-S566 WeakPolarHBondContact CE2-O 3.3Å; Y561-S566 WeakPolarHBondContact OH-CA 3.46Å; Y561-S566 WeakPolarHBondContact OH-CB 3.41Å; Y561-S566 PolarHBondContact OH-OG 3.3Å; C562-S566 VanDerWaalsContact O-CA 3.29Å; C562-S566 WeakPolarHBondContact O-CA 3.12Å; C562-S566 PolarHBondContact O-N 3.38Å
567E38.8Very low35.4Very low122 Ų12298.6 Ų98.657%0.5754%0.535SS*.EExtended strand (participates in β ladder)trans-113.4149.7178.7-68.4-173.2166.200111.5C562 C565C562-E567 PolarHBondContact N-O 3.22Å; C565-E567 PolarHBondContact O-N 3.39Å
568F37.6Very low35.4Very low146 Ų146103.5 Ų103.564%0.6456%0.555SS**EExtended strand (participates in β ladder)trans-87.8125.8178-71.9-82.3000110.2V559 Y561V559-F568 HydrophobicContact CG1-CB 3.58Å; V559-F568 HydrophobicContact CG1-CD1 3.87Å; V559-F568 HydrophobicContact CG1-CG 4.13Å; Y561-F568 AromaticContact CD2-CD1 3.92Å; Y561-F568 HydrophobicContact CD2-CD1 3.92Å; Y561-F568 HydrophobicContact CD2-CD2 4.03Å; Y561-F568 AromaticContact CD2-CE1 3.67Å; Y561-F568 HydrophobicContact CD2-CE1 3.67Å; Y561-F568 AromaticContact CD2-CE2 3.76Å; Y561-F568 HydrophobicContact CD2-CE2 3.76Å; Y561-F568 HydrophobicContact CD2-CG 4.1Å; Y561-F568 AromaticContact CD2-CZ 3.58Å; Y561-F568 HydrophobicContact CD2-CZ 3.58Å; Y561-F568 HydrophobicContact CE2-CE2 4.13Å; Y561-F568 HydrophobicContact CE2-CZ 4.2Å; Y561-F568 HydrophobicContact CG-CD1 4.41Å; Y561-F568 HydrophobicContact CG-CE1 4.13Å; Y561-F568 HydrophobicContact CG-CZ 4.39Å
569H35.7Very low35.1Very low80 Ų80105.9 Ų105.937%0.3757%0.568SS.*EExtended strand (participates in β ladder)trans-116.9133.8179.8-61.8-69.7000111.4V559 V560 C562 C565V559-H569 CarbonylContact C-O 3.58Å; V559-H569 WeakPolarHBondContact CA-O 3.17Å; V560-H569 PolarHBondContact N-O 3.48Å; V560-H569 PolarHBondContact O-N 2.89Å; C562-H569 VanDerWaalsContact CB-CD2 3.43Å; C562-H569 WeakPolarHBondContact CB-CD2 3.42Å; C565-H569 PolarHBondContact SG-NE2 3.08Å
570E31.5Very low34.7Very low139 Ų139110.5 Ų110.565%0.6558%0.582SS**EExtended strand (participates in β ladder)trans-86.5120.9176.5-165.8172.1-16200109.9S557 V559S557-E570 VanDerWaalsContact CB-CG 3.46Å; S557-E570 WeakPolarHBondContact CB-OE1 3.25Å; S557-E570 PolarHBondContact OG-OE1 3.01Å; V559-E570 HydrophobicContact CG2-CG 4.49Å
571I32Very low34.3Very low71 Ų71112.7 Ų112.736%0.36460%0.597SS.*EExtended strand (participates in β ladder)trans-114127.9-178.4-52.6178.7000109.8A558 V560A558-I571 PolarHBondContact N-O 3.22Å; A558-I571 PolarHBondContact O-N 3.23Å; V560-I571 HydrophobicContact CB-CD1 4.01Å; V560-I571 HydrophobicContact CG2-CD1 3.84Å; V560-I571 HydrophobicContact CG2-CG1 4.46Å
572N29.2Very low33.8Very low101 Ų101116.3 Ų116.354%0.5462%0.618SS.*EExtended strand (participates in β ladder)trans-76.4122.2169-90.6-21.5000110.1L574 S575N572-L574 PolarHBondContact O-N 3.1Å; N572-S575 PolarHBondContact O-N 3.06Å
573L30.1Very low32.9Very low123 Ų123120 Ų12064%0.64464%0.639SS**THydrogen-bonded Turntrans-65.90.9-177.9-79.8163.9000115.4
574L26.2Very low32.3Very low174 Ų174120.1 Ų120.191%0.91164%0.642SS**THydrogen-bonded Turntrans-100.616.3175.3-79.1162.8000113.9N572N572-L574 PolarHBondContact O-N 3.1Å
575S26Very low31.4Very low58 Ų58118.7 Ų118.741%0.40664%0.639SS.*SBendtrans-111.1130.9168.278.80000111.1N572 F577N572-S575 PolarHBondContact O-N 3.06Å; S575-F577 PolarHBondContact O-N 2.97Å
576P30Very low29.4Very low123 Ų123121 Ų12180%0.79966%0.657SS**SBendtrans-78.221.1-166.931.5-35.4000114.8
577F26.5Very low28.7Very low167 Ų167124.4 Ų124.473%0.73267%0.669SS**  trans-107.868.8179.1-68.8-76.1000111.5S575 C579S575-F577 PolarHBondContact O-N 2.97Å; F577-C579 PolarHBondContact O-N 3.11Å
578I25.4Very low28Very low151 Ų151126.9 Ų126.977%0.77468%0.682SS**  trans-70.990157.3-59.3175.4000106.3K580I578-K580 PolarHBondContact O-N 2.87Å
579C25.2Very low27.4Very low92 Ų92127.7 Ų127.762%0.62269%0.694SS**  trans-58.4118.6167-70.40000107.6F577F577-C579 PolarHBondContact O-N 3.11Å
580K25.7Very low26.9Very low187 Ų187129 Ų12981%0.81371%0.712SS**  trans-51.2126171.1-66.2175.7178.7175.80107.9I578 E582I578-K580 PolarHBondContact O-N 2.87Å; K580-E582 PolarHBondContact O-N 2.63Å
581P26.5Very low26.5Very low117 Ų117128.5 Ų128.576%0.7672%0.724SS**  trans-68104.3172.426.8-29.7000107.3V583P581-V583 PolarHBondContact O-N 2.73Å; P581-V583 VanDerWaalsContact O-N 3.08Å
582E27.4Very low26.2Very low179 Ų179130.2 Ų130.284%0.83674%0.742SS**  trans-61.2108.9164.7-75.2176.1168.800107K580 S584K580-E582 PolarHBondContact O-N 2.63Å; E582-S584 PolarHBondContact O-N 2.81Å
583V26.6Very low26.1Very low121 Ų121134.5 Ų134.573%0.73376%0.759SS**  trans-60.2101.5174176.30000106.8P581 T585P581-V583 PolarHBondContact O-N 2.73Å; P581-V583 VanDerWaalsContact O-N 3.08Å; V583-T585 VanDerWaalsContact C-N 3.29Å; V583-T585 HydrophobicContact CG1-CG2 4.46Å; V583-T585 PolarHBondContact O-N 2.98Å
584S26Very low26Very low83 Ų83135.6 Ų135.658%0.5877%0.77SS**  trans-65.496.3165.223.60000107E582 S586E582-S584 PolarHBondContact O-N 2.81Å; S584-S586 VanDerWaalsContact C-N 3.28Å; S584-S586 PolarHBondContact O-N 3.09Å
585T24.9Very low25.8Very low124 Ų124131.5 Ų131.576%0.76176%0.756SS**  trans-62.185.7171.540.60000109.4V583V583-T585 VanDerWaalsContact C-N 3.29Å; V583-T585 HydrophobicContact CG1-CG2 4.46Å; V583-T585 PolarHBondContact O-N 2.98Å
586S25.9Very low25.9Very low110 Ų110135.4 Ų135.477%0.76977%0.773SS**  trans-85.9113.7158.255.70000108.1S584 M588S584-S586 VanDerWaalsContact C-N 3.28Å; S584-S586 PolarHBondContact O-N 3.09Å; S586-M588 PolarHBondContact O-N 2.91Å
587N25.8Very low25.8Very low144 Ų144138 Ų13877%0.7778%0.778SS**  trans-43106.6178.6-75.6-31.4000112.8
588M23.9Very low25.8Very low174 Ų174134.5 Ų134.586%0.85777%0.774SS**  trans-130.597.2156.8-88.3-80.3128.500107.3S586 S590S586-M588 PolarHBondContact O-N 2.91Å; M588-S590 PolarHBondContact O-N 3.5Å; M588-S590 VanDerWaalsContact O-N 3.16Å
589N24.2Very low25.8Very low163 Ų163135.8 Ų135.887%0.87278%0.777SS**  trans-60.7107.1168.1-71.6-35.8000109.1
590S25.2Very low26Very low108 Ų108138.6 Ų138.676%0.75579%0.786SS**  trans-162.690.9153.657.50000109.4M588 S592M588-S590 PolarHBondContact O-N 3.5Å; M588-S590 VanDerWaalsContact O-N 3.16Å; S590-S592 PolarHBondContact O-N 3.01Å
591S23.5Very low26.1Very low128 Ų128140.9 Ų140.990%0.89579%0.789SS**  trans-73.5111.6165.251.60000109.5
592S26.4Very low26Very low108 Ų108143.6 Ų143.676%0.75580%0.797SS**  trans-148.2110.9148.570.50000108.5S590S590-S592 PolarHBondContact O-N 3.01Å
593E27Very low26Very low191 Ų191144.8 Ų144.889%0.89380%0.799SS**  trans-64.2132.8173.8-74167.8136.500110.9
594V27.2Very low25.9Very low145 Ų145143.2 Ų143.288%0.87980%0.799SS**  trans-124.6121.2152.4175.10000106.3
595S23.3Very low25.9Very low89 Ų89144.1 Ų144.162%0.62281%0.811SS**  trans-77.3157.2-173.7-50.40000114
596D27.2Very low25.9Very low140 Ų140146.6 Ų146.675%0.74981%0.814SS**  trans70.594.5149.2-56.4-22.8000120
597I27.3Very low25.7Very low176 Ų176146.7 Ų146.790%0.90381%0.814SS**  -151.695.4115-75.1127000106.4E599I597-E599 PolarHBondContact O-N 3.39Å
598S28.2Very low25.6Very low94 Ų94147.9 Ų147.966%0.65782%0.817SS**  trans-9298.8-18057.40000111.7N600S598-N600 PolarHBondContact O-N 3.22Å
599E25.4Very low25.7Very low178 Ų178144.8 Ų144.883%0.83281%0.81SS**  trans-65.2108.3150.8-98.5177.9157.800107.9I597 R601I597-E599 PolarHBondContact O-N 3.39Å; E599-R601 VanDerWaalsContact C-N 3.31Å; E599-R601 PolarHBondContact O-N 2.89Å
600N28.7Very low25.6Very low151 Ų151142.9 Ų142.981%0.80781%0.809SS**  trans-6487.9175.3-81.1-14.4000110.8S598 L602S598-N600 PolarHBondContact O-N 3.22Å; N600-L602 PolarHBondContact O-N 2.97Å
601R27.2Very low25.5Very low235 Ų235145.3 Ų145.389%0.88781%0.813SS**  trans-62.8113.2157.4-86.6179.8163.9174.2-4.7108.2E599 K603E599-R601 VanDerWaalsContact C-N 3.31Å; E599-R601 PolarHBondContact O-N 2.89Å; R601-K603 PolarHBondContact O-N 3.13Å; R601-K603 VanDerWaalsContact O-N 3.11Å
602L26Very low25.6Very low175 Ų175144.9 Ų144.992%0.91681%0.81SS**  trans-47.9113.6171.8-74.4155000110.1N600 A604N600-L602 PolarHBondContact O-N 2.97Å; L602-A604 PolarHBondContact O-N 3.41Å
603K26.1Very low25.5Very low203 Ų203147 Ų14788%0.88381%0.811SS**PPolyproline II helixtrans-60.9124.3171.5-84.7177.9173.5175.90108.8R601 A605R601-K603 PolarHBondContact O-N 3.13Å; R601-K603 VanDerWaalsContact O-N 3.11Å; K603-A605 PolarHBondContact O-N 3.42Å
604A25Very low25.3Very low89 Ų89146.7 Ų146.774%0.73681%0.81SS**PPolyproline II helixtrans-57.6122166.500000108.7L602 H606L602-A604 PolarHBondContact O-N 3.41Å; A604-H606 PolarHBondContact O-N 3.14Å; A604-H606 VanDerWaalsContact O-N 3.14Å
605A25.2Very low25.2Very low101 Ų101145.6 Ų145.684%0.83580%0.804SS**PPolyproline II helixtrans-59.2116.4179.400000109.4K603 S607K603-A605 PolarHBondContact O-N 3.42Å; A605-S607 PolarHBondContact O-N 3.14Å
606H24.6Very low25.3Very low177 Ų177150.9 Ų150.982%0.81982%0.816SS**PPolyproline II helixtrans-57.2130164.2-72.3-81.7000108.2A604 M608A604-H606 PolarHBondContact O-N 3.14Å; A604-H606 VanDerWaalsContact O-N 3.14Å; H606-M608 PolarHBondContact O-N 3.42Å; H606-M608 VanDerWaalsContact O-N 3.09Å
607S23.6Very low25.2Very low111 Ų111151.6 Ų151.678%0.77682%0.82SS**  trans-39.3113.8166.546.40000110.5A605A605-S607 PolarHBondContact O-N 3.14Å
608M22.4Very low25.1Very low169 Ų169148.5 Ų148.583%0.83381%0.814SS**  trans-61.1137.1175.9-76.3-171.465.400110.4H606H606-M608 PolarHBondContact O-N 3.42Å; H606-M608 VanDerWaalsContact O-N 3.09Å
609P26.2Very low24.9Very low109 Ų109151.7 Ų151.771%0.70882%0.823SS**  trans-74.3136.2171.929.9-30000110.3L611P609-L611 PolarHBondContact O-N 3.05Å
610S21.7Very low24.8Very low123 Ų123149.3 Ų149.386%0.8682%0.82SS**  trans-62.7111.2-179.6-2.60000110.9
611L24Very low24.6Very low160 Ų160148.8 Ų148.884%0.83882%0.823SS**  trans-94.8108170.6-74.4170.1000109.3P609P609-L611 PolarHBondContact O-N 3.05Å
612S25Very low24.4Very low118 Ų118144.4 Ų144.483%0.82582%0.817SS**  trans-63.2125.9173.243.70000111.3
613I24.8Very low24.3Very low152 Ų152143.4 Ų143.478%0.77981%0.812SS**  trans-84.7114.7-179.7-66.8163.7000108.9T615I613-T615 PolarHBondContact O-N 3.36Å
614E23Very low24.3Very low185 Ų185144.2 Ų144.286%0.86481%0.81SS**  trans-77109.7165.3-82.7-173.316000110K616E614-K616 PolarHBondContact O-N 3.47Å
615T25.3Very low24.2Very low123 Ų123146.1 Ų146.176%0.75581%0.812SS**  trans-75.6107.1171.845.20000110.2I613I613-T615 PolarHBondContact O-N 3.36Å
616K24.4Very low24.2Very low199 Ų199147 Ų14787%0.86581%0.812SS**  trans-99.7114.6164.8-102.1178.6178.5170.10110.5E614E614-K616 PolarHBondContact O-N 3.47Å
617D24.9Very low24.2Very low156 Ų156144.3 Ų144.383%0.83481%0.808SS**  trans-60125.4175.5-69.1-50000112.2
618S25.8Very low24.3Very low111 Ų111150.6 Ų150.678%0.77682%0.817SS**  trans-118.7114.8168.765.60000110
619N24.2Very low24.4Very low160 Ų160153.8 Ų153.886%0.85682%0.819SS**  trans-63.8139.3-175.4-76.1-39.4000113.9
620V22.7Very low24.3Very low128 Ų128156 Ų15678%0.77683%0.825SS**  trans-81127.5176.6173.20000109.6
621V24.6Very low24.5Very low141 Ų141160.4 Ų160.486%0.85583%0.829SS**  trans-124.1110.3162.9176.20000108.1
622D22.9Very low24.5Very low143 Ų143162 Ų16277%0.76583%0.829SS**  trans-67139.5166.7-91.6-47.3000110.7
623D24.7Very low24.4Very low153 Ų153163.1 Ų163.182%0.81884%0.835SS**  trans-158157.4131.9-132.6-17.3000115.6
624R25.1Very low24.3Very low221 Ų221160.9 Ų160.983%0.83483%0.833SS**  trans-87.6139.2-147.8-69.2162.9167.9178.5-2.7116.7
625V24.1Very low24.5Very low128 Ų128156.8 Ų156.878%0.77683%0.831SS**  trans2.2126.2137.2-174.90000117.6
626S25.2Very low24.6Very low121 Ų121159.4 Ų159.485%0.84684%0.837SS**  trans-140.9135.3145.754.80000112
627T23.5Very low24.6Very low119 Ų119159.4 Ų159.473%0.7384%0.837SS**  trans-82.4139.5-171.443.10000113
628Y26.2Very low24.9Very low244 Ų244161 Ų16196%0.95784%0.837SS**  trans-142.7135.4154-118.2-88.4000113.7
629R23.8Very low24.9Very low235 Ų235162.3 Ų162.389%0.88783%0.833SS**  trans-82.2135.9-170.2-91.5174.9168.2172.5-3.1113.6
630N24.3Very low25.1Very low156 Ų156160.5 Ų160.583%0.83483%0.833SS**  trans3.8131.1139.9-68.3-25.7000119.6
631K27.2Very low25.1Very low215 Ų215165.3 Ų165.394%0.93584%0.837SS**  trans-142.4136.4143.8-105.7176.8-177.2176.10112.2
632K23.1Very low25.2Very low194 Ų194163.8 Ų163.884%0.84383%0.833SS**  trans-65.1149.7-176.8-65.9166170.5175.10113.1
633C23.6Very low25.3Very low141 Ų141167.1 Ų167.195%0.95384%0.841SS**  -151.8130.4129.9-101.20000111.6
634S23.1Very low25.4Very low106 Ų106163.5 Ų163.574%0.74184%0.84SS**  trans-122.8132.1-174.242.10000107.5
635A25.6Very low25.5Very low99 Ų99164.7 Ų164.782%0.81884%0.844SS**  trans158.3113.7141.900000111.4
636M27.7Very low25.7Very low177 Ų177168.1 Ų168.187%0.87285%0.849SS**  trans-166.992.2130-109.4-179.5143.200110.1
637K25.3Very low25.8Very low199 Ų199172.1 Ų172.187%0.86585%0.851SS**  trans-72.9127.4160.9-85.7173.1171.6170.40108.4
638K30.2Very low25.8Very low191 Ų191172.5 Ų172.583%0.8386%0.857SS**  trans-129134.6149.1-84.3-171.7178.5177.60110
639I26.8Very low25.7Very low137 Ų137170.8 Ų170.870%0.70385%0.849SS**  trans-97.2125.9-158.5-69.9157.6000108.5R641I639-R641 HydrophobicContact CG2-CG 3.9Å
640S26.6Very low25.7Very low123 Ų123165.6 Ų165.686%0.8685%0.845SS**  trans-12890.6161.228.50000108.5
641R24.1Very low25.8Very low228 Ų228167.5 Ų167.586%0.8684%0.842SS**  trans-75.5124.2171.3-77.7171.4164.5170.9-5.2109.3I639I639-R641 HydrophobicContact CG2-CG 3.9Å
642S26.5Very low25.5Very low109 Ų109162.7 Ų162.776%0.76284%0.836SS**  trans-161111.414148.30000113.1
643K25.7Very low25.6Very low214 Ų214160.2 Ų160.293%0.9383%0.831SS**  trans51.8106.3137.1-64-179.7176.2177.70119.9
644G26.7Very low25.6Very low77 Ų77161.7 Ų161.779%0.79483%0.829SS**  10141.9120.200000119K646G644-K646 PolarHBondContact O-N 2.83Å
645R26.9Very low25.6Very low245 Ų245160 Ų16093%0.92582%0.822SS**  trans-76.4106.3165.5-89.1-176.4175.3176.7-1.4110.5K647R645-K647 PolarHBondContact O-N 3.06Å
646K28.4Very low25.5Very low201 Ų201161.1 Ų161.187%0.87482%0.824SS**  trans-55.2116.4161.2-74.6-179.5176.5179.10107.7G644 C648G644-K646 PolarHBondContact O-N 2.83Å; K646-C648 PolarHBondContact O-N 3.26Å
647K27.1Very low25.4Very low204 Ų204158.7 Ų158.789%0.88781%0.813SS**  trans-6898177.9-71.3178.4176.5178.50108.6R645 R649R645-K647 PolarHBondContact O-N 3.06Å; K647-R649 PolarHBondContact O-N 2.87Å; K647-R649 VanDerWaalsContact O-N 3.17Å
648C22.8Very low25.4Very low127 Ų127155.9 Ų155.986%0.85881%0.813SS**  trans-65.5111.9162.6-73.50000107.9K646K646-C648 PolarHBondContact O-N 3.26Å
649R24.5Very low25.1Very low209 Ų209153.7 Ų153.779%0.78981%0.806SS**  trans-80.2129.4174.7-147.8175.5-171.6168.30.9106.9K647 Y651K647-R649 PolarHBondContact O-N 2.87Å; K647-R649 VanDerWaalsContact O-N 3.17Å; R649-Y651 WeakPolarHBondContact O-CD2 3.26Å; R649-Y651 PolarHBondContact O-N 3.47Å; R649-Y651 VanDerWaalsContact O-N 3.14Å
650P23.5Very low25Very low125 Ų125153.8 Ų153.881%0.81281%0.813SS**  trans-70.9110.8-179.228.1-31.4000108.8S652P650-S652 PolarHBondContact O-N 2.92Å
651Y25.9Very low24.9Very low197 Ų197153.9 Ų153.977%0.77381%0.809SS**  trans-83107.8175.1-89-91.9000109.1R649 L653R649-Y651 WeakPolarHBondContact O-CD2 3.26Å; R649-Y651 PolarHBondContact O-N 3.47Å; R649-Y651 VanDerWaalsContact O-N 3.14Å; Y651-L653 PolarHBondContact O-N 3.49Å
652S22.1Very low25Very low114 Ų114147.5 Ų147.580%0.79781%0.805SS**  trans-74.5105.7161.6570000108.3P650P650-S652 PolarHBondContact O-N 2.92Å
653L25.1Very low24.9Very low142 Ų142147 Ų14774%0.74380%0.801SS**  trans-106.897.6175.5-102.3154.9000109.6Y651 A655Y651-L653 PolarHBondContact O-N 3.49Å; L653-A655 PolarHBondContact O-N 2.88Å
654N23.3Very low25Very low171 Ų171141.4 Ų141.491%0.91479%0.789SS**  trans-72.694.6156.5-74.2-10.3000107.3
655A23.7Very low24.9Very low72 Ų72140.8 Ų140.860%0.59578%0.782SS**  trans-109.811816500000107.7L653 L657L653-A655 PolarHBondContact O-N 2.88Å; A655-L657 PolarHBondContact O-N 3.28Å
656S23.1Very low24.9Very low122 Ų122138 Ų13885%0.85378%0.778SS**  trans-65.598.3174.853.90000109.3
657L26.1Very low24.6Very low125 Ų125135.4 Ų135.465%0.65477%0.773SS**  trans-90.5103.9173.6-139.185.8000108.2A655 E659A655-L657 PolarHBondContact O-N 3.28Å; L657-E659 HydrophobicContact CD2-CB 4.24Å; L657-E659 HydrophobicContact CD2-CG 3.73Å; L657-E659 VanDerWaalsContact CD2-OE2 3.3Å; L657-E659 WeakPolarHBondContact CD2-OE2 3.38Å; L657-E659 HydrophobicContact CG-CG 4.09Å; L657-E659 PolarHBondContact O-N 2.95Å
658T23.6Very low24.5Very low140 Ų140130.5 Ų130.586%0.85977%0.765SS**  trans-7989.2158.139.40000107.1
659E24.7Very low24.5Very low145 Ų145129.2 Ų129.268%0.67875%0.754SS**  trans-112103.1165.3-85.2-17817800108.6L657 T661L657-E659 HydrophobicContact CD2-CB 4.24Å; L657-E659 HydrophobicContact CD2-CG 3.73Å; L657-E659 VanDerWaalsContact CD2-OE2 3.3Å; L657-E659 WeakPolarHBondContact CD2-OE2 3.38Å; L657-E659 HydrophobicContact CG-CG 4.09Å; L657-E659 PolarHBondContact O-N 2.95Å; E659-T661 PolarHBondContact O-N 2.98Å
660T25.1Very low24.5Very low140 Ų140124.8 Ų124.886%0.85976%0.756SS**  trans-63.895.3164.137.20000109.7
661T24.7Very low24.7Very low125 Ų125127.3 Ų127.377%0.76776%0.756SS**  trans-165.781.9157.721.70000107.6E659 S663E659-T661 PolarHBondContact O-N 2.98Å; T661-S663 PolarHBondContact O-N 3.08Å
662A25.5Very low24.6Very low94 Ų94122.7 Ų122.778%0.77775%0.753SS**  trans-96.766.317100000109.4
663S24.1Very low24.7Very low99 Ų99121.8 Ų121.869%0.69275%0.747SS**SBendtrans-89.6100.1147.9-108.90000105.6T661 G665T661-S663 PolarHBondContact O-N 3.08Å; S663-G665 PolarHBondContact O-N 3.35Å
664S27.5Very low24.7Very low95 Ų95121 Ų12166%0.66475%0.747SS**SBendtrans32.950.6158670000115.8
665G25.2Very low24.8Very low64 Ų64116.2 Ų116.266%0.6673%0.728SS**  trans-92.694.5165.600000105.8S663 D667S663-G665 PolarHBondContact O-N 3.35Å; G665-D667 PolarHBondContact O-N 3.19Å
666F26Very low24.8Very low188 Ų188118.5 Ų118.583%0.82573%0.734SS**  trans-43.3116.3157.6-109.6-98.2000106.5S668F666-S668 PolarHBondContact O-N 3.28Å; F666-S668 VanDerWaalsContact O-N 3.09Å
667D23.5Very low24.9Very low146 Ų146121.5 Ų121.578%0.78173%0.732SS**  trans-42.8124.3170.1-94.8-40.2000106.6G665 P669G665-D667 PolarHBondContact O-N 3.19Å; D667-P669 WeakPolarHBondContact O-CD 3.46Å
668S23.6Very low24.9Very low101 Ų101123.6 Ų123.671%0.70674%0.739SS**  trans-49.1111.1162.4-60.30000105.3F666 S670F666-S668 PolarHBondContact O-N 3.28Å; F666-S668 VanDerWaalsContact O-N 3.09Å; S668-S670 PolarHBondContact O-N 3.45Å
669P23.9Very low24.9Very low99 Ų99126.7 Ų126.764%0.64374%0.74SS**  trans-55.4121158.6-722.5000101.4D667 E671D667-P669 WeakPolarHBondContact O-CD 3.46Å; P669-E671 WeakPolarHBondContact O-CA 3.4Å; P669-E671 VanDerWaalsContact O-CG 3.3Å; P669-E671 WeakPolarHBondContact O-CG 3.32Å; P669-E671 PolarHBondContact O-N 3.47Å
670S24.5Very low25Very low117 Ų117126.1 Ų126.182%0.81875%0.746SS**  trans-53.3100.1177.2-53.30000105.4S668 S672S668-S670 PolarHBondContact O-N 3.45Å; S670-S672 VanDerWaalsContact C-N 3.26Å; S670-S672 PolarHBondContact O-N 3.06Å
671E27.8Very low25Very low177 Ų177125.1 Ų125.183%0.82775%0.746SS**  trans-69.597.3-163.8-74.2-176.4167.600104.5P669 S673P669-E671 WeakPolarHBondContact O-CA 3.4Å; P669-E671 VanDerWaalsContact O-CG 3.3Å; P669-E671 WeakPolarHBondContact O-CG 3.32Å; P669-E671 PolarHBondContact O-N 3.47Å; E671-S673 PolarHBondContact O-N 3.36Å
672S23.7Very low25.2Very low100 Ų100124.5 Ų124.570%0.69975%0.746SS**  trans-58.693.415946.80000104S670 V674S670-S672 VanDerWaalsContact C-N 3.26Å; S670-S672 PolarHBondContact O-N 3.06Å; S672-V674 VanDerWaalsContact C-N 3.34Å; S672-V674 PolarHBondContact O-N 3.41Å
673S24.8Very low25.3Very low95 Ų95125.4 Ų125.466%0.66475%0.747SS**  trans-40.5114.6150.855.10000104.4E671 S675E671-S673 PolarHBondContact O-N 3.36Å; S673-S675 PolarHBondContact O-N 2.96Å
674V25.1Very low25.3Very low125 Ų125128 Ų12876%0.75875%0.748SS**  trans-6770.5173.2-179.40000105.4S672 T676S672-V674 VanDerWaalsContact C-N 3.34Å; S672-V674 PolarHBondContact O-N 3.41Å; V674-T676 VanDerWaalsContact C-N 3.31Å; V674-T676 PolarHBondContact O-N 3.13Å; V674-T676 VanDerWaalsContact O-N 3.16Å
675S24.8Very low25.3Very low72 Ų72132.2 Ų132.250%0.50376%0.76SS.*  trans-73.9100.4160.275.60000102.6S673 K677S673-S675 PolarHBondContact O-N 2.96Å; S675-K677 PolarHBondContact O-N 3.46Å
676T24.4Very low25.3Very low120 Ų120137 Ų13774%0.73676%0.764SS**  trans-50.595.6159.735.40000107.1V674 E678V674-T676 VanDerWaalsContact C-N 3.31Å; V674-T676 PolarHBondContact O-N 3.13Å; V674-T676 VanDerWaalsContact O-N 3.16Å; T676-E678 PolarHBondContact O-N 2.99Å
677K24.6Very low25.4Very low184 Ų184131.1 Ų131.180%0.876%0.756SS**  trans-66.787.3171.1-85.8-177.8175.8173.40106.6S675 K679S675-K677 PolarHBondContact O-N 3.46Å; K677-K679 PolarHBondContact O-N 3.06Å; K677-K679 VanDerWaalsContact O-N 3.1Å
678E25.2Very low25.5Very low170 Ų170133.3 Ų133.379%0.79476%0.762SS**  trans-55.6115.9157.8-81-173.3150.800107T676 T680T676-E678 PolarHBondContact O-N 2.99Å; E678-T680 PolarHBondContact O-N 3.05Å; E678-T680 PolarHBondContact O-OG1 3.49Å
679K24.7Very low25.7Very low205 Ų205134.7 Ų134.789%0.89177%0.766SS**  trans-62.986.2176.1-78.9175.1175.7171.30108.5K677 S681K677-K679 PolarHBondContact O-N 3.06Å; K677-K679 VanDerWaalsContact O-N 3.1Å; K679-S681 PolarHBondContact O-N 3Å
680T27.4Very low25.8Very low132 Ų132140.1 Ų140.181%0.8178%0.775SS**  trans-69.4101.6162.312.30000106.8E678 S682E678-T680 PolarHBondContact O-N 3.05Å; E678-T680 PolarHBondContact O-OG1 3.49Å; T680-S682 VanDerWaalsContact C-N 3.32Å; T680-S682 PolarHBondContact O-N 3.2Å
681S25Very low25.9Very low120 Ų120140.9 Ų140.984%0.83978%0.78SS**  trans-6486.717550.80000110.2K679 S683K679-S681 PolarHBondContact O-N 3Å; S681-S683 PolarHBondContact O-N 3.13Å
682S27.5Very low25.7Very low112 Ų112140.6 Ų140.678%0.78378%0.779SS**  trans-84.5109.116863.10000109.2T680T680-S682 VanDerWaalsContact C-N 3.32Å; T680-S682 PolarHBondContact O-N 3.2Å
683S28Very low25.9Very low113 Ų113140.8 Ų140.879%0.7978%0.781SS**  trans-52.5138176.453.20000113.5S681 M685S681-S683 PolarHBondContact O-N 3.13Å; S683-M685 PolarHBondContact O-N 3.25Å
684Q25Very low25.9Very low152 Ų152145.2 Ų145.271%0.7179%0.79SS**  trans-33127.4164.8-85.4162.6-61.400114.1H686Q684-H686 PolarHBondContact NE2-NE2 3.43Å
685M25.9Very low26Very low185 Ų185150.9 Ų150.991%0.91180%0.798SS**  trans-128.7101.8143.5-85.6-93.5115.500105.8S683 G687S683-M685 PolarHBondContact O-N 3.25Å; M685-G687 PolarHBondContact O-N 3.17Å
686H25.5Very low26.3Very low164 Ų164152.5 Ų152.576%0.75981%0.81SS**  trans-61.4113.7166.6-80.6-77.3000108Q684Q684-H686 PolarHBondContact NE2-NE2 3.43Å
687G27.8Very low26.3Very low64 Ų64158.2 Ų158.266%0.6682%0.818SS**  trans-132.596.8169.700000108.1M685 V689M685-G687 PolarHBondContact O-N 3.17Å; G687-V689 PolarHBondContact O-N 3.15Å
688E26.9Very low26.5Very low193 Ų193155.3 Ų155.390%0.90282%0.817SS**  trans-55.5113.4166.3-71.6175.2142.700108.8
689V26.5Very low26.6Very low130 Ų130152.2 Ų152.279%0.78881%0.814SS**  trans-133.597.9166.2-177.50000107.9G687G687-V689 PolarHBondContact O-N 3.15Å
690Y26Very low26.8Very low212 Ų212152.1 Ų152.183%0.83181%0.814SS**  trans22.2113.4146.8-74-91000117.5E692Y690-E692 PolarHBondContact O-N 3.24Å
691S26.6Very low26.7Very low133 Ų133157.7 Ų157.793%0.9382%0.82SS**  trans-59.878166.2-50.70000111.4S693S691-S693 PolarHBondContact O-N 2.84Å
692E24.9Very low26.6Very low172 Ų172156.7 Ų156.780%0.80481%0.814SS**  trans-79117.4173.8-158.4140.7-15400109.5Y690 H694Y690-E692 PolarHBondContact O-N 3.24Å; E692-H694 PolarHBondContact O-N 2.99Å
693S26.3Very low26.5Very low104 Ų104160 Ų16073%0.72781%0.814SS**  trans-55108.6-171.154.60000112.2S691 R695S691-S693 PolarHBondContact O-N 2.84Å; S693-R695 PolarHBondContact O-N 3.34Å
694H26.6Very low26.3Very low188 Ų188161.8 Ų161.887%0.8781%0.814SS**  trans-57.9106.9165.9-81.9-78.8000109.6E692 S696E692-H694 PolarHBondContact O-N 2.99Å; H694-S696 VanDerWaalsContact C-N 3.31Å; H694-S696 PolarHBondContact O-N 3.37Å
695R27.4Very low26.2Very low243 Ų243164.5 Ų164.592%0.91782%0.818SS**  trans-62.895.6161.5-77-177.9178.2-179.7-0.2107.3S693 R697S693-R695 PolarHBondContact O-N 3.34Å; R695-R697 PolarHBondContact O-N 2.91Å
696S29.8Very low26.1Very low107 Ų107166.9 Ų166.975%0.74882%0.817SS**  trans-60.6110.2168.750.70000108.3H694H694-S696 VanDerWaalsContact C-N 3.31Å; H694-S696 PolarHBondContact O-N 3.37Å
697R25.1Very low26Very low240 Ų240168.4 Ų168.491%0.90682%0.817SS**PPolyproline II helixtrans-46.1124.8164.8-119.9176.4177.3175.8-1.3107.6R695 S699R695-R697 PolarHBondContact O-N 2.91Å; R697-S699 PolarHBondContact O-N 2.65Å
698P28.2Very low25.8Very low122 Ų122175 Ų17579%0.79283%0.828SS**PPolyproline II helixtrans-61.3123.7178.8-13.926.5000108.1K700P698-K700 PolarHBondContact O-N 2.65Å
699S27.6Very low25.6Very low105 Ų105177.2 Ų177.273%0.73483%0.828SS**PPolyproline II helixtrans-56.4124.3169.6490000108.2R697 R701R697-S699 PolarHBondContact O-N 2.65Å; S699-R701 PolarHBondContact O-N 3.49Å
700K28.1Very low25.5Very low204 Ų204176 Ų17689%0.88783%0.825SS**  trans-55102.4170.6-81178.4173.7178.60107.6P698 S702P698-K700 PolarHBondContact O-N 2.65Å; K700-S702 VanDerWaalsContact C-N 3.35Å; K700-S702 PolarHBondContact O-N 3.16Å; K700-S702 VanDerWaalsContact O-N 3.08Å
701R24.9Very low25.6Very low248 Ų248175.3 Ų175.394%0.93683%0.827SS**  trans-70.993.5164.4-87-174.2178.3-175.8-0.7107.5S699 F703S699-R701 PolarHBondContact O-N 3.49Å; R701-F703 PolarHBondContact O-N 2.73Å
702S22.8Very low25.5Very low100 Ų100180.3 Ų180.370%0.69983%0.825SS**  trans-83.785.6161.344.10000108.4K700K700-S702 VanDerWaalsContact C-N 3.35Å; K700-S702 PolarHBondContact O-N 3.16Å; K700-S702 VanDerWaalsContact O-N 3.08Å
703F26.7Very low25.6Very low181 Ų181178.4 Ų178.479%0.79483%0.825SS**  trans-151.387.5156.4-106.1-76.2000109.2R701 W705R701-F703 PolarHBondContact O-N 2.73Å; F703-W705 PolarHBondContact O-N 3.24Å; F703-W705 VanDerWaalsContact O-N 3.17Å
704L24.4Very low25.7Very low151 Ų151180.5 Ų180.579%0.79183%0.828SS**  trans-65.2101.5157.4-89.8151.4000107.3W706L704-W706 PolarHBondContact O-N 3.11Å
705W22Very low25.7Very low208 Ų208181 Ų18179%0.78883%0.827SS**  trans-72.5114.3165.2-8659.5000108.5F703 Y707F703-W705 PolarHBondContact O-N 3.24Å; F703-W705 VanDerWaalsContact O-N 3.17Å; W705-Y707 PolarHBondContact O-N 3.35Å; W705-Y707 VanDerWaalsContact O-N 3.15Å
706W23.7Very low25.8Very low235 Ų235176 Ų17689%0.8982%0.819SS**  trans-75.496.2170.1-60.889.7000108.7L704 K708L704-W706 PolarHBondContact O-N 3.11Å; W706-K708 PolarHBondContact O-N 3.41Å
707Y22.7Very low25.6Very low197 Ų197179.6 Ų179.677%0.77382%0.824SS**  trans-73.2122.8157.4-100.6-89.3000108W705 R709W705-Y707 PolarHBondContact O-N 3.35Å; W705-Y707 VanDerWaalsContact O-N 3.15Å; Y707-R709 VanDerWaalsContact C-N 3.27Å; Y707-R709 PolarHBondContact O-N 3.48Å
708K24.2Very low25.8Very low202 Ų202173.4 Ų173.488%0.87882%0.817SS**  trans-56.995.4160.5-171.9178.2-175.7179.20106.5W706 S710W706-K708 PolarHBondContact O-N 3.41Å; K708-S710 PolarHBondContact O-N 2.96Å
709R22.5Very low25.7Very low239 Ų239176.2 Ų176.290%0.90282%0.819SS**  trans-54.2107.2169.4-104.7-179.7178172-0.3105.8Y707 K711Y707-R709 VanDerWaalsContact C-N 3.27Å; Y707-R709 PolarHBondContact O-N 3.48Å; R709-K711 PolarHBondContact O-N 3.41Å
710S24.4Very low25.7Very low104 Ų104175.6 Ų175.673%0.72782%0.821SS**  trans-54125.7165.354.60000106K708 R712K708-S710 PolarHBondContact O-N 2.96Å; S710-R712 PolarHBondContact O-N 3.09Å
711K28.5Very low26.2Very low199 Ų199171.9 Ų171.987%0.86582%0.817SS**  trans-52.2114.7172.6-73.2-177.3174.5-176.20106R709 T713R709-K711 PolarHBondContact O-N 3.41Å; K711-T713 PolarHBondContact O-N 3.05Å
712R24Very low26.1Very low237 Ų237169.3 Ų169.389%0.89482%0.816SS**  trans-56113.2162.8-83-178.9176.5171.5-2.9104.8S710 L714S710-R712 PolarHBondContact O-N 3.09Å; R712-L714 VanDerWaalsContact C-N 3.29Å; R712-L714 PolarHBondContact O-N 3.29Å
713T28Very low26.3Very low132 Ų132170 Ų17081%0.8182%0.821SS**  trans-51.897.5165.237.40000107.3K711 K715K711-T713 PolarHBondContact O-N 3.05Å; T713-K715 PolarHBondContact O-N 3.41Å
714L28.3Very low26.5Very low149 Ų149166.3 Ų166.378%0.7882%0.815SS**  trans-68.6106.4161.1-151.385.5000104.3R712 D716R712-L714 VanDerWaalsContact C-N 3.29Å; R712-L714 PolarHBondContact O-N 3.29Å; L714-D716 PolarHBondContact O-N 3.3Å
715K27.5Very low26.6Very low197 Ų197166.3 Ų166.386%0.85782%0.816SS**  trans-65.9108.1164.1-81.9-179.5171.2-1740105.4T713T713-K715 PolarHBondContact O-N 3.41Å
716D29.1Very low26.9Very low139 Ų139163.2 Ų163.274%0.74382%0.82SS**  trans-131.5118.1151.9-91.3-36.9000107.4L714L714-D716 PolarHBondContact O-N 3.3Å
717E24.7Very low26.9Very low183 Ų183161 Ų16186%0.85582%0.82SS**  trans-60.8131176.3-69.2163.8135.800109.9
718S29.4Very low27.2Very low109 Ų109157.9 Ų157.976%0.76282%0.823SS**  trans-178.1100.714027.20000111.2
719H27Very low27.4Very low181 Ų181151 Ų15184%0.83881%0.81SS**  trans44.3100.8134.3-63.7-68.7000120.8
720A26.7Very low27.8Very low93 Ų93144.9 Ų144.977%0.76980%0.802SS**  76.5159.2124.400000120.1
721P39.7Very low28.2Very low125 Ų125146.7 Ų146.781%0.81281%0.811SS**  cis-117.2157-17.832.7-16.1000113.5S723P721-S723 PolarHBondContact O-N 3.07Å
722E22.5Very low28.1Very low194 Ų194140.2 Ų140.291%0.90780%0.8SS**  trans-59.4122.6173.1-66.1166.8140.300112.1
723S27.3Very low28.3Very low114 Ų114140.8 Ų140.880%0.79780%0.802SS**  trans-111.6117.9154.7760000108.7P721P721-S723 PolarHBondContact O-N 3.07Å
724P30.6Very low28.2Very low104 Ų104146 Ų14668%0.67581%0.807SS**  trans-87.7150.1-169.134.5-33.7000112.5
725N26.4Very low28Very low152 Ų152143.7 Ų143.781%0.81380%0.803SS**  trans6884.3152.3-54.2-22.9000117.6
726T27.1Very low28.1Very low142 Ų142140.5 Ų140.587%0.87180%0.803SS**  trans-142.9109.4136.61.10000107.9
727E25.4Very low28Very low189 Ų189140.9 Ų140.988%0.88380%0.804SS**  trans-51.6135.3176.2-75.7-178.1138.900110.2G729E727-G729 PolarHBondContact O-N 3.5Å
728P27.6Very low28Very low131 Ų131139.3 Ų139.385%0.85180%0.802SS**  trans-69108.6-176.227.1-31.3000109.6
729G28.6Very low28Very low59 Ų59141.7 Ų141.761%0.60880%0.804SS**  trans-58.1157.9171.800000112.6E727E727-G729 PolarHBondContact O-N 3.5Å
730P31.2Very low27.9Very low110 Ų110138.9 Ų138.971%0.71480%0.8SS**  trans-65.2141.1-165.3-13.227.1000112G732P730-G732 PolarHBondContact O-N 3.34Å
731P32.6Very low27.9Very low142 Ų142139.7 Ų139.792%0.92280%0.797SS**  trans-75.396.4-174.531.2-32.6000109.8
732G26.5Very low27.2Very low62 Ų62138.9 Ų138.964%0.63980%0.795SS**  trans-157.8122.3172.700000109.4P730P730-G732 PolarHBondContact O-N 3.34Å
733R27.3Very low27.2Very low249 Ų249138.2 Ų138.294%0.9479%0.791SS**  trans78.371.4179.8-50.6-177.5-177.8-117.51.2115.4
734R26.1Very low27.2Very low243 Ų243137.9 Ų137.992%0.91779%0.789SS**  trans-123101143.8-74.8-169.4178.6-136.30.4108.1
735S25.5Very low26.9Very low100 Ų100139.4 Ų139.470%0.69979%0.79SS**  trans-54.6136.8164.9-54.90000108.7L737S735-L737 PolarHBondContact O-N 2.8Å
736P29.6Very low26.9Very low129 Ų129143.7 Ų143.784%0.83880%0.795SS**SBendtrans-80.158.1-172.234.3-35.3000111.2
737L26.3Very low26.7Very low148 Ų148144.6 Ų144.678%0.77579%0.789SS**  trans-148.747.6176.1-78.1176.2000111.3S735S735-L737 PolarHBondContact O-N 2.8Å
738N25.4Very low26.7Very low150 Ų150145 Ų14580%0.80279%0.788SS**  trans-132.869.4164.3-91.3-26.4000108.5T740N738-T740 VanDerWaalsContact C-N 3.33Å; N738-T740 PolarHBondContact O-N 2.9Å
739I28.5Very low26.5Very low158 Ų158143.1 Ų143.181%0.8178%0.779SS**  trans-7797.9153.8-61172000103.8P741I739-P741 WeakPolarHBondContact O-CD 3.32Å; I739-P741 VanDerWaalsContact O-N 3.15Å
740T24.7Very low26.3Very low122 Ų122151.9 Ų151.975%0.74880%0.795SS**  trans-52.6119.1166.58.20000107.3N738 S742N738-T740 VanDerWaalsContact C-N 3.33Å; N738-T740 PolarHBondContact O-N 2.9Å; T740-S742 PolarHBondContact O-N 3.07Å
741P26.6Very low25.9Very low110 Ų110158.3 Ų158.371%0.71481%0.805SS**  trans-66.9121.4-173.924.5-30000108.6I739 E743I739-P741 WeakPolarHBondContact O-CD 3.32Å; I739-P741 VanDerWaalsContact O-N 3.15Å; P741-E743 PolarHBondContact O-N 2.92Å
742S25.4Very low25.6Very low109 Ų109156.9 Ų156.976%0.76280%0.798SS**  trans-60.7101.7169.6-47.50000108.1T740 S744T740-S742 PolarHBondContact O-N 3.07Å; S742-S744 VanDerWaalsContact C-N 3.28Å; S742-S744 PolarHBondContact O-N 3.03Å
743E23.5Very low25.3Very low180 Ų180159.1 Ų159.184%0.84180%0.804SS**  trans-59.893162.2-72.7177.9159.500108.4P741P741-E743 PolarHBondContact O-N 2.92Å
744S27.2Very low25.2Very low107 Ų107153.4 Ų153.475%0.74880%0.797SS**  trans-124.971.4152.355.70000108.4S742 R746S742-S744 VanDerWaalsContact C-N 3.28Å; S742-S744 PolarHBondContact O-N 3.03Å; S744-R746 PolarHBondContact O-N 3.19Å
745I23.6Very low25.2Very low136 Ų136151.1 Ų151.170%0.69780%0.797SS**  trans-54.6103156.9-63164.9000107
746R26.4Very low25Very low242 Ų242156 Ų15691%0.91381%0.806SS**  trans-126.576.3147-95.9-168.2-176.2-169.72.5107.3S744S744-R746 PolarHBondContact O-N 3.19Å
747E22.6Very low24.8Very low160 Ų160154.9 Ų154.975%0.74880%0.801SS**  trans-52.5129.1140.2-82.1179.1133.400108.3
748F25.8Very low24.8Very low197 Ų197154.6 Ų154.686%0.86480%0.8SS**  trans176.485.9142.6-92.1-65.5000104.8
749S23.8Very low24.7Very low93 Ų93154.1 Ų154.165%0.6580%0.797SS**  89.5106.79469.20000111.8R751S749-R751 PolarHBondContact O-N 3.43Å
750Y23.4Very low24.6Very low242 Ų242152.8 Ų152.895%0.94979%0.792SS**  trans4.2109.7148.4-75.7-93000115.9
751R23.9Very low24.6Very low245 Ų245155.1 Ų155.193%0.92579%0.794SS**  trans-133.9127.8144.8-119.9-176.4-159.4-1545.1110.4S749S749-R751 PolarHBondContact O-N 3.43Å
752S24.8Very low24.8Very low112 Ų112157.9 Ų157.978%0.78380%0.803SS**  trans-57.9152.9-174.8280000114.6
753S21.9Very low24.7Very low109 Ų109161.8 Ų161.876%0.76281%0.809SS**  trans-43.5129.6165.7-51.50000113.2
754T23.3Very low24.9Very low130 Ų130156.3 Ų156.380%0.79880%0.801SS**  161113.8123.839.10000108.2
755Q26.5Very low24.7Very low195 Ų195159.3 Ų159.391%0.91181%0.808SS**  174.5119.3122.7-95.4171.73.600109.6
756F22.4Very low24.9Very low202 Ų202162.5 Ų162.589%0.88682%0.818SS**  trans-60.4170.8159.7-92.4-101.7000111.2
757S25.1Very low25Very low105 Ų105158.6 Ų158.673%0.73482%0.815SS**  trans90.8133.3174.4-20.70000112.4
758D25.2Very low25.2Very low142 Ų142159.9 Ų159.976%0.75982%0.821SS**  cis-177.8156.6-7-115.5-22.8000105.1
759L24.6Very low25.3Very low141 Ų141155.5 Ų155.574%0.73881%0.814SS**  trans86.6130.3149-69.7158.1000123.1
760N26.4Very low25.4Very low129 Ų129157.5 Ų157.569%0.6982%0.823SS**  trans83.5101147.1-57.9-19.5000117.5
761E25.2Very low25.6Very low172 Ų172153.6 Ų153.680%0.80482%0.819SS**  49.990.181.3-78.2-164.2158.900112.1
762D29.1Very low25.5Very low168 Ų168147 Ų14790%0.89881%0.81SS**  trans-131.7112.3148.8-100.7-30.1000108.9G764D762-G764 PolarHBondContact O-N 3.32Å
763Q24.5Very low25.5Very low191 Ų191145.9 Ų145.989%0.89381%0.807SS**  trans-67.9110.2172.5-70.3176.3-1.200109.1
764G26.3Very low25.5Very low64 Ų64146.5 Ų146.566%0.6681%0.806SS**  trans-116.290.5167.400000110.1D762 F766D762-G764 PolarHBondContact O-N 3.32Å; G764-F766 PolarHBondContact O-N 3.12Å; G764-F766 VanDerWaalsContact O-N 3.1Å
765N24.1Very low25.5Very low171 Ų171149.9 Ų149.991%0.91480%0.804SS**  trans-48.9112.6162.4-98.3-13.6000109.1
766F28Very low25.3Very low203 Ų203145.8 Ų145.889%0.8980%0.797SS**  trans-122.4116.6160.7-101.1-81.3000109.7G764 E768G764-F766 PolarHBondContact O-N 3.12Å; G764-F766 VanDerWaalsContact O-N 3.1Å; F766-E768 PolarHBondContact O-N 2.91Å
767D28.7Very low25.4Very low160 Ų160144.8 Ų144.886%0.85679%0.789SS**  trans-49.7128.6-179.8-87.4-44.3000113.2S769D767-S769 PolarHBondContact O-N 3.26Å
768E26.6Very low25.3Very low187 Ų187145 Ų14587%0.87479%0.79SS**  trans-49112.9158.1-166.3173-149.100111.2F766F766-E768 PolarHBondContact O-N 2.91Å
769S26.7Very low25.3Very low104 Ų104146.6 Ų146.673%0.72779%0.786SS**  trans17068147.850.50000112.8D767D767-S769 PolarHBondContact O-N 3.26Å
770T27.5Very low25.2Very low135 Ų135147.3 Ų147.383%0.82879%0.789SS**  trans-130.988.3157.430.10000110S772T770-S772 PolarHBondContact O-N 3.33Å
771N25.8Very low25.1Very low161 Ų161146.8 Ų146.886%0.86178%0.782SS**  trans12.889.1144.2-66-32.7000112.8A773N771-A773 PolarHBondContact O-N 3.13Å
772S23.2Very low25.3Very low107 Ų107144.4 Ų144.475%0.74877%0.771SS**  trans-61.388.3166.635.60000107.7T770 V774T770-S772 PolarHBondContact O-N 3.33Å; S772-V774 PolarHBondContact O-N 3.47Å
773A23.4Very low25.2Very low87 Ų87139.6 Ų139.672%0.71976%0.761SS**  trans-63.880.8159.300000106.3N771 R775N771-A773 PolarHBondContact O-N 3.13Å; A773-R775 PolarHBondContact O-N 3.31Å
774V23.8Very low25.3Very low122 Ų122136.1 Ų136.174%0.73975%0.753SS**  trans-67.787.5171.4-178.70000105.9S772 S776S772-V774 PolarHBondContact O-N 3.47Å; V774-S776 PolarHBondContact O-N 3.17Å
775R22.4Very low25.5Very low202 Ų202135.6 Ų135.676%0.76274%0.738SS**  trans-59.7129.6167.7-75.4-177.4172.2-154.3-0.9106.9A773 Y777A773-R775 PolarHBondContact O-N 3.31Å; R775-Y777 WeakPolarHBondContact O-CD2 3.34Å; R775-Y777 WeakPolarHBondContact O-CE2 3.33Å; R775-Y777 PolarHBondContact O-N 3.35Å
776S22.5Very low25.7Very low108 Ų108137.4 Ų137.476%0.75573%0.732SS**  trans-52.2106.2171.647.80000110.3V774 S778V774-S776 PolarHBondContact O-N 3.17Å; S776-S778 VanDerWaalsContact C-N 3.31Å; S776-S778 PolarHBondContact O-N 3.44Å; S776-S778 VanDerWaalsContact O-N 3.08Å
777Y24.6Very low25.6Very low182 Ų182130.7 Ų130.771%0.71472%0.721SS**  trans-8081.5170.1-70.6-90.6000108.9R775 W779R775-Y777 WeakPolarHBondContact O-CD2 3.34Å; R775-Y777 WeakPolarHBondContact O-CE2 3.33Å; R775-Y777 PolarHBondContact O-N 3.35Å; Y777-W779 AromaticContact CD1-CD1 3.56Å; Y777-W779 HydrophobicContact CD1-CG 4.33Å; Y777-W779 AromaticContact CD1-NE1 3.36Å; Y777-W779 PolarHBondContact O-N 3.39Å
778S22.4Very low25.4Very low109 Ų109134.4 Ų134.476%0.76272%0.724SS**  trans-82.273.7158.261.30000107.8S776 I780S776-S778 VanDerWaalsContact C-N 3.31Å; S776-S778 PolarHBondContact O-N 3.44Å; S776-S778 VanDerWaalsContact O-N 3.08Å; S778-I780 PolarHBondContact O-N 3.43Å
779W24.3Very low25.4Very low175 Ų175129.6 Ų129.666%0.66372%0.716SS**  trans-97.682.9176.6-78.852.6000108.9Y777 Q781Y777-W779 AromaticContact CD1-CD1 3.56Å; Y777-W779 HydrophobicContact CD1-CG 4.33Å; Y777-W779 AromaticContact CD1-NE1 3.36Å; Y777-W779 PolarHBondContact O-N 3.39Å; W779-Q781 HydrophobicContact CE3-CB 4.09Å; W779-Q781 VanDerWaalsContact CE3-OE1 3.27Å
780I24.2Very low25.5Very low157 Ų157129.9 Ų129.981%0.80572%0.715SS**  trans-96.168.9146-55.3175.5000104.7S778 Q782S778-I780 PolarHBondContact O-N 3.43Å; I780-Q782 VanDerWaalsContact C-N 3.34Å; I780-Q782 PolarHBondContact O-N 3.19Å; I780-Q782 VanDerWaalsContact O-N 3.16Å
781Q24.7Very low25.6Very low118 Ų118128 Ų12855%0.55171%0.705SS**  trans-81.397.7167.4-158.7165.9-0.600106.4W779 G783W779-Q781 HydrophobicContact CE3-CB 4.09Å; W779-Q781 VanDerWaalsContact CE3-OE1 3.27Å; Q781-G783 PolarHBondContact O-N 2.94Å
782Q28.9Very low25.9Very low122 Ų122127.6 Ų127.657%0.5771%0.709SS**  trans-41126.9163.9-63.7179.2-20.700109.6I780I780-Q782 VanDerWaalsContact C-N 3.34Å; I780-Q782 PolarHBondContact O-N 3.19Å; I780-Q782 VanDerWaalsContact O-N 3.16Å
783G26.2Very low26.1Very low67 Ų67127 Ų12769%0.69170%0.698SS**  trans51.693.4165.400000116Q781Q781-G783 PolarHBondContact O-N 2.94Å
784T26.5Very low26.6Very low117 Ų117127.2 Ų127.272%0.71869%0.694SS**  trans-113.4113.3154.525.30000109.5
785P31.9Very low27.1Very low54 Ų54130 Ų13035%0.35170%0.696SS.*  trans-73.7127.2176.829.8-29.6000108.8
786W26.4Very low27.2Very low208 Ų208130.4 Ų130.479%0.78870%0.698SS**SBendtrans55.6110.3168-6088.2000117.7
787G26.4Very low27.5Very low63 Ų63135.2 Ų135.265%0.64970%0.699SS**  trans9860136.400000118.7
788Y25.2Very low27.6Very low238 Ų238131.4 Ų131.493%0.93370%0.697SS**  trans-133.559.5145.7-71.5-78.2000109.8
789A26.2Very low27.7Very low85 Ų85131.5 Ų131.570%0.70270%0.704SS**SBendtrans-62.7138.4152.800000107.2
790P28.4Very low27.9Very low110 Ų110129.5 Ų129.571%0.71471%0.705SS**PPolyproline II helixtrans-54.4133.9-176.820.4-30.2000109.3T792P790-T792 PolarHBondContact O-N 3.41Å; P790-T792 VanDerWaalsContact O-N 3.16Å
791P30.7Very low28Very low95 Ų95130.1 Ų130.162%0.61770%0.704SS**PPolyproline II helixtrans-53.8126.1-172.9-21.430.2000109.4D793P791-D793 PolarHBondContact O-N 3.43Å
792T31.1Very low28Very low153 Ų153133.6 Ų133.694%0.93972%0.723SS**  trans-70.937.3175.852.30000111.8P790P790-T792 PolarHBondContact O-N 3.41Å; P790-T792 VanDerWaalsContact O-N 3.16Å
793D28Very low27.8Very low96 Ų96133.1 Ų133.151%0.51373%0.729SS.*  trans-90.3121.6173.7-160.3-13.4000108.5P791 K795 W796P791-D793 PolarHBondContact O-N 3.43Å; D793-K795 PolarHBondContact O-N 3.2Å; D793-W796 PolarHBondContact O-N 2.91Å
794S34.8Very low27.8Very low90 Ų90136 Ų13663%0.62974%0.735SS**THydrogen-bonded Turntrans-55.4-1.8-175.459.70000115.9W797S794-W797 PolarHBondContact O-NE1 3.47Å
795K33.4Very low27.9Very low181 Ų181136.6 Ų136.679%0.78774%0.738SS**THydrogen-bonded Turntrans-90.5-5.8173.5-66.7-174.3179.3-178.70114.5D793D793-K795 PolarHBondContact O-N 3.2Å
796W24.2Very low27.6Very low210 Ų210141.1 Ų141.180%0.79576%0.76SS**  trans-10581.2177.1-71.883.9000111.4D793D793-W796 PolarHBondContact O-N 2.91Å
797W29Very low27.6Very low210 Ų210138 Ų13880%0.79576%0.758SS**  trans-96.9127.1163.2-61.483.5000108.7S794 A799S794-W797 PolarHBondContact O-NE1 3.47Å; W797-A799 PolarHBondContact O-N 3.33Å
798P26.1Very low27.5Very low102 Ų102145.8 Ų145.866%0.66277%0.768SS**  trans-64.3133.6171.826.5-29.9000108.3I800P798-I800 PolarHBondContact O-N 3.43Å
799A25.7Very low27.5Very low110 Ų110143.3 Ų143.391%0.90977%0.765SS**  trans-54.993.2-173.900000112W797 Q801W797-A799 PolarHBondContact O-N 3.33Å; A799-Q801 PolarHBondContact O-N 3.48Å
800I27.8Very low27.6Very low134 Ų134148.8 Ų148.869%0.68777%0.773SS**  trans-82.8110.5170.9-67.7166000106.9P798P798-I800 PolarHBondContact O-N 3.43Å
801Q27.3Very low27.4Very low169 Ų169150.2 Ų150.279%0.7977%0.774SS**  trans38.885.4148.5-67.2176.7-1100115.1A799 T803A799-Q801 PolarHBondContact O-N 3.48Å; Q801-T803 VanDerWaalsContact C-N 3.28Å; Q801-T803 PolarHBondContact O-N 3.46Å
802M24.6Very low27.1Very low192 Ų192154.5 Ų154.595%0.94678%0.784SS**  trans-6499.8151.9-74.1-138118.900107.9
803T24.9Very low26.8Very low112 Ų112155.6 Ų155.669%0.68778%0.775SS**  trans-49.2123.7158.932.10000108.3Q801 V805Q801-T803 VanDerWaalsContact C-N 3.28Å; Q801-T803 PolarHBondContact O-N 3.46Å; T803-V805 PolarHBondContact O-N 3.06Å
804P26.4Very low26.6Very low126 Ų126159.2 Ų159.282%0.81879%0.792SS**  trans-69.8102-173.427.7-31.8000108.7N806P804-N806 PolarHBondContact O-N 3.29Å
805V26.7Very low26Very low131 Ų131160.7 Ų160.779%0.79479%0.792SS**  trans-71.3115165.4175.80000106.3T803 D807T803-V805 PolarHBondContact O-N 3.06Å; V805-D807 PolarHBondContact O-N 3.11Å
806N26.4Very low25.7Very low149 Ų149158.4 Ų158.480%0.79779%0.793SS**  trans-37.9118.6166.4-82.9-32.3000110.5P804P804-N806 PolarHBondContact O-N 3.29Å
807D25.7Very low25.7Very low141 Ų141157.8 Ų157.875%0.75479%0.792SS**  trans-161.3118.8137.7-103.6-33.2000114.1V805V805-D807 PolarHBondContact O-N 3.11Å
808R25.8Very low25.4Very low227 Ų227153.4 Ų153.486%0.85779%0.794SS**  trans59104.9143.7-79.4176.6162166.5-2.3121.1K810R808-K810 PolarHBondContact O-N 2.95Å
809E24.4Very low25.3Very low186 Ų186155.8 Ų155.887%0.86980%0.8SS**  trans-21.9118.4142.7-64.1176.8146.300115.7
810K28.7Very low25.3Very low201 Ų201161.9 Ų161.987%0.87480%0.8SS**  trans-140.683.7150.1-74.5-168.4-179.6173.30111.5R808R808-K810 PolarHBondContact O-N 2.95Å
811N23.6Very low25.3Very low139 Ų139163.4 Ų163.474%0.74381%0.808SS**  9.2117.4126.9-89.8-27.6000117.8
812K25.7Very low25.2Very low186 Ų186165.3 Ų165.381%0.80981%0.814SS**  158.8119.1101.1-98.8166.9-176.7-178.60112.9
813F23.9Very low25.2Very low175 Ų175165.5 Ų165.577%0.76881%0.814SS**  trans-6.4127.8145.5-68.5-92.2000118.2
814M24.4Very low25.4Very low173 Ų173169.9 Ų169.985%0.85282%0.824SS**  trans-140.296.1145.3-99.3-77.6101.900109.5
815N21.9Very low25.5Very low120 Ų120169.3 Ų169.364%0.64282%0.823SS**  trans-81.4121.3164.4-99.3-32.2000108.1
816V26.4Very low25.4Very low133 Ų133174.7 Ų174.781%0.80683%0.829SS**  trans-119.1101.9165.9-1790000108.6
817Y23.4Very low25.4Very low198 Ų198177.3 Ų177.378%0.77683%0.833SS**  trans-70.2140169.3-88.2-102000110.4
818S23.4Very low25.4Very low118 Ų118179.7 Ų179.783%0.82584%0.839SS**  trans-124.3113.7159.785.80000110.5
819D23.4Very low25.5Very low151 Ų151175.2 Ų175.281%0.80784%0.837SS**  trans-68.2131.1172-76.6-48.6000112.1
820R25.6Very low25.5Very low239 Ų239174.8 Ų174.890%0.90283%0.832SS**  trans-153.498.8154-110.6176.4-162-166.15112.6
821I28.5Very low25.3Very low165 Ų165177.1 Ų177.185%0.84684%0.836SS**  trans35.5111.8139.7-52.7177.3000117.9
822K25.6Very low25.4Very low210 Ų210179.9 Ų179.991%0.91384%0.837SS**  trans-78.1122.8178.5-64.3167.3178.3169.50111.9
823M25.3Very low25.4Very low195 Ų195176.9 Ų176.996%0.96184%0.839SS**  trans-109.6121166.2-150.9130.8126.900109.6
824K28.8Very low25.5Very low204 Ų204177.2 Ų177.289%0.88784%0.841SS**PPolyproline II helixtrans-68.8126.5-168.5-74.4173.8174.8173.40112.6
825S27.2Very low25.5Very low115 Ų115177.7 Ų177.780%0.80484%0.841SS**PPolyproline II helixtrans-70.5124.3174.953.60000112.7
826R25.3Very low25.7Very low243 Ų243179.4 Ų179.492%0.91785%0.85SS**PPolyproline II helixtrans-71.2135.9168.2-87.1179.3172.2174.4-2.4110.5
827K26.8Very low25.6Very low204 Ų204176.9 Ų176.989%0.88785%0.851SS**PPolyproline II helixtrans-68.6125.6-179.2-70.4177.9176.11780111V829K827-V829 PolarHBondContact O-N 3.31Å
828H25.2Very low25.8Very low191 Ų191174.3 Ų174.388%0.88486%0.856SS**PPolyproline II helixtrans-66.5120.2171.1-96.3-94.8000110.6
829V26.9Very low25.9Very low133 Ų133175.9 Ų175.981%0.80686%0.855SS**PPolyproline II helixtrans-74.7124.6169.6174.80000108K827 R831K827-V829 PolarHBondContact O-N 3.31Å; V829-R831 PolarHBondContact O-N 2.8Å
830K25.8Very low26.1Very low177 Ų177177.6 Ų177.677%0.7786%0.857SS**PPolyproline II helixtrans-57.3116.8177.7-75.7179.8172.4-176.10110.1Y832K830-Y832 PolarHBondContact O-N 3.2Å
831R24.9Very low26.1Very low251 Ų251173.5 Ų173.595%0.94785%0.853SS**  trans-73.4113.5168.6-81.7-179.6176.8161.5-2.2108.4V829V829-R831 PolarHBondContact O-N 2.8Å
832Y25.6Very low26.1Very low197 Ų197170.7 Ų170.777%0.77386%0.855SS**  trans-80.4123.9163.1-81.5-91.3000108.1K830 F834K830-Y832 PolarHBondContact O-N 3.2Å; Y832-F834 PolarHBondContact O-N 2.78Å
833S24.8Very low26.2Very low122 Ų122168.9 Ų168.985%0.85385%0.854SS**  trans-76.1107.5172.143.50000109.1
834F26.3Very low26.2Very low183 Ų183165 Ų16580%0.80385%0.846SS**  trans-93.8115165-92.4-88.7000108.1Y832Y832-F834 PolarHBondContact O-N 2.78Å
835E24.1Very low26.1Very low182 Ų182164.6 Ų164.685%0.8585%0.848SS**  trans-63.3122.1153.4-71.5171.3156.900107.7
836N25.5Very low26.2Very low157 Ų157162.1 Ų162.184%0.8484%0.84SS**  trans-169117.8152.6-98.3-16.3000110.2
837G25.4Very low26.3Very low79 Ų79159.7 Ų159.781%0.81484%0.839SS**  trans68.383.9149.100000117.4
838V28Very low26.2Very low145 Ų145158.8 Ų158.888%0.87984%0.841SS**  trans-104.3108.1159.2-179.30000108.3
839N25.7Very low26.3Very low151 Ų151159.9 Ų159.981%0.80784%0.838SS**  trans-48.7131.9171.7-89.4-34.7000111.7N841N839-N841 PolarHBondContact O-N 3.42Å
840H26.8Very low26.2Very low186 Ų186161.2 Ų161.286%0.86184%0.841SS**  trans-53.7107.9162.7-66.3-76.5000109.8
841N25.9Very low26.2Very low153 Ų153158.4 Ų158.482%0.81884%0.839SS**  trans-145.1119.2150.7-91.1-29.5000107.7N839 L843N839-N841 PolarHBondContact O-N 3.42Å; N841-L843 PolarHBondContact O-N 2.82Å; N841-L843 VanDerWaalsContact O-N 3.13Å
842A27.6Very low26.2Very low106 Ų106153.8 Ų153.888%0.87683%0.831SS**  trans-43.4111.1-176.100000112.7
843L27.8Very low26.2Very low172 Ų172147.7 Ų147.790%0.90181%0.812SS**  trans-124.2104.5157.3-127.392000107.9N841N841-L843 PolarHBondContact O-N 2.82Å; N841-L843 VanDerWaalsContact O-N 3.13Å
844S26.9Very low26.2Very low114 Ų114145.2 Ų145.280%0.79780%0.795SS**  trans-8.2120.7164.4-165.80000116G846S844-G846 PolarHBondContact O-N 2.83Å
845E26.7Very low26.1Very low196 Ų196140 Ų14092%0.91679%0.793SS**SBendtrans-39.5124.5155.3-68.5168.8143.400110.5
846G27.8Very low26.1Very low63 Ų63137.6 Ų137.665%0.64978%0.784SS**  trans153.16417700000112.7S844S844-G846 PolarHBondContact O-N 2.83Å
847Q27.4Very low25.9Very low191 Ų191137.9 Ų137.989%0.89378%0.781SS**SBendtrans148.795153.2-84.9162.618.500109.7
848M24.4Very low26.1Very low186 Ų186136.6 Ų136.692%0.91676%0.757SS**  trans-179.964142.4-85.2-132.1166.800109.5
849Y27.8Very low26Very low214 Ų214136.5 Ų136.584%0.83975%0.752SS**  trans-121.580.1158.9-75.8-75.2000107.9T851Y849-T851 PolarHBondContact O-N 2.81Å
850N25.1Very low26.2Very low161 Ų161137.7 Ų137.786%0.86176%0.755SS**  trans-84.477.8155.8-79.9-16.3000106.3I852N850-I852 PolarHBondContact O-N 3.36Å
851T26.4Very low26.3Very low118 Ų118132.9 Ų132.972%0.72473%0.732SS**  trans-66.7111.6168.4-10.20000106.9Y849 D853Y849-T851 PolarHBondContact O-N 2.81Å; T851-D853 PolarHBondContact O-N 3.41Å; T851-D853 VanDerWaalsContact O-N 3.12Å
852I24.2Very low26.2Very low154 Ų154135.1 Ų135.179%0.7974%0.74SS**  trans-66109.1-175.6-65.7166.3000107.8N850N850-I852 PolarHBondContact O-N 3.36Å
853D25.5Very low26.2Very low69 Ų69139.9 Ų139.937%0.36974%0.737SS.*  trans-71.5132179.8-161.734.2000110.5R85 T851 G855R85-D853 IonicContact CZ-OD1 2.72Å; R85-D853 IonicContact NH2-OD1 2.93Å; R85-D853 PolarHBondContact NH2-OD1 3.3Å; T851-D853 PolarHBondContact O-N 3.41Å; T851-D853 VanDerWaalsContact O-N 3.12Å; D853-G855 VanDerWaalsContact C-N 3.29Å; D853-G855 PolarHBondContact O-N 2.65Å
854S25Very low26.2Very low69 Ų69137.5 Ų137.548%0.48372%0.724SS.*  trans-72.175-175.940.10000111.4I856S854-I856 PolarHBondContact O-N 2.76Å
855G23.4Very low26.4Very low75 Ų75136.1 Ų136.177%0.77372%0.715SS**SBendtrans55.73.1146.800000120.4D853D853-G855 VanDerWaalsContact C-N 3.29Å; D853-G855 PolarHBondContact O-N 2.65Å
856I24.9Very low26.7Very low130 Ų130137.7 Ų137.767%0.66771%0.712SS**  trans-106.775.7174.8-55.7179.1000107.4S854 T858S854-I856 PolarHBondContact O-N 2.76Å; I856-T858 PolarHBondContact O-N 3.17Å
857Q22.3Very low26.7Very low164 Ų164141.8 Ų141.877%0.76672%0.715SS**  trans-67.193.5177-164.6178.8-13.100109.5D859Q857-D859 PolarHBondContact NE2-OD1 3.17Å; Q857-D859 VanDerWaalsContact NE2-OD1 3.12Å
858T28.3Very low26.8Very low52 Ų52137.6 Ų137.632%0.31970%0.697SS.*  trans-93.6111.2158.851.50000107.7R93 I856 M860R93-T858 PolarHBondContact NH2-OG1 3.25Å; I856-T858 PolarHBondContact O-N 3.17Å; T858-M860 PolarHBondContact O-N 3.31Å
859D26.8Very low27Very low143 Ų143134.3 Ų134.377%0.76568%0.684SS**SBendtrans-62.734-167.8-79.8-29.5000116.7Q857Q857-D859 PolarHBondContact NE2-OD1 3.17Å; Q857-D859 VanDerWaalsContact NE2-OD1 3.12Å
860M28.7Very low27.1Very low175 Ų175128.8 Ų128.886%0.86267%0.673SS**  trans-132.125179.4-127.6171.6-157.100114.6T858T858-M860 PolarHBondContact O-N 3.31Å
861E28.5Very low27.3Very low85 Ų85127.3 Ų127.340%0.39766%0.663SS.*  trans-90.6-3.7-179.3-80.5-168.5156.500115.8K89 Y863K89-E861 IonicContact NZ-OE1 3.28Å; K89-E861 PolarHBondContact NZ-OE1 3.09Å; E861-Y863 PolarHBondContact O-N 3.18Å
862M25.8Very low27.7Very low200 Ų200127 Ų12799%0.98566%0.656SS**THydrogen-bonded Turntrans-79.9-11.2-176.4-91.3-153.9-176.900116.7
863Y26.9Very low28.1Very low206 Ų206125.8 Ų125.881%0.80865%0.651SS**THydrogen-bonded Turntrans-103.3-26.7-169-155.6-99.8000116E861E861-Y863 PolarHBondContact O-N 3.18Å
864I28Very low28.2Very low122 Ų122129 Ų12963%0.62667%0.668SS**THydrogen-bonded Turntrans-96.4-35.8-167-59.4178000113.4R866 Q867 L868I864-R866 PolarHBondContact O-N 3.39Å; I864-Q867 PolarHBondContact O-N 3.24Å; I864-L868 HydrophobicContact CG2-CD1 4.42Å
865S29.8Very low28.6Very low86 Ų86129.3 Ų129.360%0.60168%0.675SS**Hα-helixtrans-64.1-19-171.3-54.90000115.2
866R32.8Very low28.9Very low228 Ų228133.3 Ų133.386%0.8667%0.674SS**Hα-helixtrans-78.5-19.1-178.9-100.5-176.5174.1-172.7-1.7115.4I864I864-R866 PolarHBondContact O-N 3.39Å
867Q29.4Very low29Very low150 Ų150131.3 Ų131.370%0.70167%0.671SS**Hα-helixtrans-91.5-30.5-177-81.2-162.42.700114.3I864I864-Q867 PolarHBondContact O-N 3.24Å
868L28.9Very low29.3Very low102 Ų102130.3 Ų130.353%0.53467%0.671SS.*Hα-helixtrans-75.5-36.8-174.6-88.2149.7000113.4I864 T870 I871I864-L868 HydrophobicContact CG2-CD1 4.42Å; L868-T870 PolarHBondContact O-N 3.36Å; L868-T870 VanDerWaalsContact O-N 3.17Å; L868-I871 PolarHBondContact O-N 3.23Å
869D28.3Very low29.3Very low118 Ų118135.6 Ų135.663%0.63170%0.698SS**Hα-helixtrans-66.1-22.4-176.6-69-13.3000113.5
870T30.4Very low29.3Very low98 Ų98137.4 Ų137.460%0.60170%0.701SS**Hα-helixtrans-84.1-23.4-178.8-25.40000112.5L868L868-T870 PolarHBondContact O-N 3.36Å; L868-T870 VanDerWaalsContact O-N 3.17Å
871I29.9Very low29.2Very low129 Ų129140.2 Ų140.266%0.66270%0.702SS**Hα-helixtrans-87.4-30.8-175.6-62.2175.6000111.5L868L868-I871 PolarHBondContact O-N 3.23Å
872L33.3Very low29.2Very low112 Ų112144 Ų14459%0.58673%0.725SS**Hα-helixtrans-77.4-29.7-178.2-104.5139.6000113.7A875L872-A875 PolarHBondContact O-N 2.83Å
873L33.1Very low29.6Very low128 Ų128142.8 Ų142.867%0.6772%0.722SS**THydrogen-bonded Turntrans-74.8-24.6-178.1-77.1165.7000114.2
874D28.1Very low29.7Very low136 Ų136140.5 Ų140.573%0.72772%0.722SS**THydrogen-bonded Turntrans-79.8-16.5177.3-87.2-12.9000113.2
875A33.2Very low29.7Very low77 Ų77140.4 Ų140.464%0.63672%0.723SS**THydrogen-bonded Turntrans-83.1-25.7179.900000113.8L872L872-A875 PolarHBondContact O-N 2.83Å
876E29.4Very low29.9Very low159 Ų159141.1 Ų141.174%0.74373%0.725SS**SBendtrans-92.4-7.9-171.5-77.1-172.3153.200115.4N878E876-N878 PolarHBondContact O-N 3.15Å
877S27.8Very low29.9Very low88 Ų88137.6 Ų137.662%0.61572%0.719SS**THydrogen-bonded Turntrans-86.40.6-174.463.90000116.4
878N27.7Very low30.3Very low142 Ų142133.2 Ų133.276%0.75970%0.702SS**THydrogen-bonded Turntrans-110.411.8-173.3-91.5-24.2000117.6E876E876-N878 PolarHBondContact O-N 3.15Å
879N27.8Very low30.7Very low164 Ų164131.9 Ų131.988%0.87769%0.694SS**  trans-114.668.5173.9-75.9-29.8000112.3
880Q26.9Very low31.2Very low181 Ų181127.8 Ų127.885%0.84667%0.674SS**  trans-119.1135.9158-82.1-171.3-500109.9
881R26.3Very low31.8Very low233 Ų233130.8 Ų130.888%0.87968%0.682SS**  trans91.876175.1-55.3177.7178.6177-0.8115.9
882N30.6Very low32.3Very low165 Ų165135 Ų13588%0.88269%0.691SS**  trans-119123.2145.3-84.3-30.3000109.3
883L32.4Very low33.5Very low174 Ų174133.3 Ų133.391%0.91169%0.687SS**  trans-56.6133.2-179.5-125.973.9000110.6N885L883-N885 PolarHBondContact O-N 3.13Å
884I29Very low33.7Very low159 Ų159135.5 Ų135.582%0.81569%0.688SS**  trans-67.1112.1-178.3-63.1163.1000109.2
885N28.5Very low34Very low120 Ų120135.8 Ų135.864%0.64268%0.683SS**  trans-84.4135.8176.1-134.36.2000109.1L883 E887L883-N885 PolarHBondContact O-N 3.13Å; N885-E887 PolarHBondContact O-N 2.98Å
886P34.7Very low34Very low101 Ų101137.9 Ų137.966%0.65668%0.683SS**G310 helixtrans-7717.6-166.231-35.4000115.7T888P886-T888 VanDerWaalsContact C-N 3.25Å; P886-T888 PolarHBondContact O-N 3.45Å
887E32.1Very low34.1Very low153 Ų153132.9 Ų132.972%0.71566%0.661SS**G310 helixtrans-78.3-4.9178-70.9-175.1160.900114N885N885-E887 PolarHBondContact O-N 2.98Å
888T38.5Very low34.2Very low58 Ų58136 Ų13636%0.35667%0.671SS.*G310 helixtrans-97.78.2-179.463.30000114.2P886 N896 I897P886-T888 VanDerWaalsContact C-N 3.25Å; P886-T888 PolarHBondContact O-N 3.45Å; T888-N896 CarbonylContact O-C 3.46Å; T888-N896 VanDerWaalsContact O-CA 3.28Å; T888-N896 WeakPolarHBondContact O-CA 3.49Å; T888-N896 PolarHBondContact O-OD1 3.23Å; T888-N896 PolarHBondContact OG1-OD1 3.4Å; T888-I897 PolarHBondContact O-N 2.98Å
889M36.1Very low34.1Very low74 Ų74136.1 Ų136.137%0.36567%0.665SS.*BIsolated β-bridgetrans-116.9131.5-178.3-66-99.697.600111.6Q891 Y894 N896M889-Q891 PolarHBondContact O-N 3.4Å; M889-Y894 VanDerWaalsContact SD-O 3.42Å; M889-N896 VanDerWaalsContact CE-CA 3.45Å; M889-N896 HydrophobicContact CE-CB 3.78Å; M889-N896 VanDerWaalsContact CE-N 3.33Å; M889-N896 VanDerWaalsContact CE-OD1 3.31Å; M889-N896 WeakPolarHBondContact CE-OD1 3.47Å
890C39.9Very low34.1Very low32 Ų32135.6 Ų135.622%0.21666%0.66CS.*  trans-66.6118.3170.4-174.70000109.8Y892 C893 Y894 K895 I897C890-Y892 PolarHBondContact O-N 2.83Å; C890-Y892 VanDerWaalsContact O-N 3.08Å; C890-C893 PolarHBondContact O-N 3.45Å; C890-C893 VanDerWaalsContact SG-SG 3.63Å; C890-Y894 VanDerWaalsContact O-CA 3.22Å; C890-Y894 WeakPolarHBondContact O-CA 3.49Å; C890-Y894 PolarHBondContact O-N 3.19Å; C890-K895 PolarHBondContact N-O 2.95Å; C890-I897 HydrophobicContact CB-CD1 3.45Å; C890-I897 VanDerWaalsContact CB-CD1 3.45Å; C890-I897 HydrophobicContact CB-CG1 3.79Å
891Q41.8Very low34Very low161 Ų161136.7 Ų136.775%0.75266%0.658SS**THydrogen-bonded Turntrans-63.6-17.6-175.2-76.8-176.8-13.700114.7M889M889-Q891 PolarHBondContact O-N 3.4Å
892Y41.2Very low34Very low218 Ų218130.7 Ų130.786%0.85565%0.652SS**THydrogen-bonded Turntrans-98.2-23.5-179-68.6-75.5000114.6C890C890-Y892 PolarHBondContact O-N 2.83Å; C890-Y892 VanDerWaalsContact O-N 3.08Å
893C58.2Low33.8Very low76 Ų76132.4 Ų132.451%0.51465%0.651SS.*THydrogen-bonded Turntrans-128.82179.467.60000114.3C890 K895C890-C893 PolarHBondContact O-N 3.45Å; C890-C893 VanDerWaalsContact SG-SG 3.63Å; C893-K895 PolarHBondContact O-N 3.28Å
894Y36.9Very low33.6Very low175 Ų175131.7 Ų131.769%0.68665%0.648SS**  trans50.827.6178.2-67.3-87.2000114.6M889 C890M889-Y894 VanDerWaalsContact SD-O 3.42Å; C890-Y894 VanDerWaalsContact O-CA 3.22Å; C890-Y894 WeakPolarHBondContact O-CA 3.49Å; C890-Y894 PolarHBondContact O-N 3.19Å
895K34.4Very low33.4Very low142 Ų142130 Ų13062%0.61765%0.651SS**  trans-95.6150.2172.3-72.2-172.6178.3-179.20111.7C890 C893 I897C890-K895 PolarHBondContact N-O 2.95Å; C893-K895 PolarHBondContact O-N 3.28Å; K895-I897 PolarHBondContact O-N 2.85Å
896N33.2Very low33.2Very low121 Ų121129.8 Ų129.865%0.64766%0.659SS**BIsolated β-bridgetrans-68.2120.7-173.6-124.2-9.5000111.3T888 M889T888-N896 CarbonylContact O-C 3.46Å; T888-N896 VanDerWaalsContact O-CA 3.28Å; T888-N896 WeakPolarHBondContact O-CA 3.49Å; T888-N896 PolarHBondContact O-OD1 3.23Å; T888-N896 PolarHBondContact OG1-OD1 3.4Å; M889-N896 VanDerWaalsContact CE-CA 3.45Å; M889-N896 HydrophobicContact CE-CB 3.78Å; M889-N896 VanDerWaalsContact CE-N 3.33Å; M889-N896 VanDerWaalsContact CE-OD1 3.31Å; M889-N896 WeakPolarHBondContact CE-OD1 3.47Å
897I33Very low32.7Very low53 Ų53131.7 Ų131.727%0.27267%0.668SS.*  trans-106.9118.5178.7-49.6166.4000109.3T888 C890 K895 K899T888-I897 PolarHBondContact O-N 2.98Å; C890-I897 HydrophobicContact CB-CD1 3.45Å; C890-I897 VanDerWaalsContact CB-CD1 3.45Å; C890-I897 HydrophobicContact CB-CG1 3.79Å; K895-I897 PolarHBondContact O-N 2.85Å; I897-K899 HydrophobicContact CG2-CG 3.77Å; I897-K899 PolarHBondContact O-N 3.22Å
898N28.8Very low32.2Very low154 Ų154132.8 Ų132.882%0.82467%0.674SS**  trans-81.489.8160.5-76.4-18.7000108.5I900N898-I900 PolarHBondContact O-N 3Å
899K27.2Very low31.4Very low145 Ų145135.1 Ų135.163%0.6369%0.691SS**  trans-77.398.3172.9-89.9-179.8175.6174.90109.6I897I897-K899 HydrophobicContact CG2-CG 3.77Å; I897-K899 PolarHBondContact O-N 3.22Å
900I26.6Very low30.9Very low153 Ų153137.9 Ų137.979%0.78571%0.707SS**  trans-90.1112.8162.2-60.5176.2000106.8N898 S902N898-I900 PolarHBondContact O-N 3Å; I900-S902 PolarHBondContact O-N 2.72Å
901Y25.4Very low30.2Very low203 Ų203145.7 Ų145.780%0.79674%0.738SS**  trans-65.7111.7177.4-77.3-93.4000110.3
902S26.9Very low29.3Very low108 Ų108145 Ų14576%0.75574%0.738SS**  trans-127.5106.6162.356.80000109.9I900 D904I900-S902 PolarHBondContact O-N 2.72Å; S902-D904 PolarHBondContact O-N 3.26Å
903K26.2Very low28.6Very low200 Ų200140.9 Ų140.987%0.8773%0.731SS**  trans-77.5111.1156-94.5178.7173.61750105.9
904D27.2Very low27.1Very low159 Ų159144.7 Ų144.785%0.8575%0.746SS**  trans156.6104.5139.7-74.6-16.7000109.8S902S902-D904 PolarHBondContact O-N 3.26Å
905S25.2Very low26.7Very low123 Ų123142.2 Ų142.286%0.8675%0.749SS**  trans-79.5117.6179.850.70000112.2
906S24.6Very low26.4Very low117 Ų117142.9 Ų142.982%0.81876%0.758SS**  trans-165.5100.4147.958.90000111.4
907V22.6Very low26Very low140 Ų140145.3 Ų145.385%0.84877%0.77SS**  trans-122115.5166.1178.50000106.9
908Q23.1Very low25.7Very low177 Ų177151.6 Ų151.683%0.82780%0.798SS**  trans-125.2101.6175.9-152.6176.715.800108.4N910Q908-N910 PolarHBondContact O-N 3.39Å
909C22Very low25.5Very low107 Ų107153.3 Ų153.372%0.72380%0.801SS**  trans-79.4105.6171.3-79.30000109.6F911C909-F911 PolarHBondContact O-N 3.26Å
910N25.5Very low25.5Very low131 Ų131155.2 Ų155.270%0.70181%0.809SS**  trans-86.5102.7167.9-83.4-19.1000109.7Q908 I912Q908-N910 PolarHBondContact O-N 3.39Å; N910-I912 PolarHBondContact O-N 3.38Å
911F23.8Very low25.4Very low196 Ų196153.1 Ų153.186%0.8681%0.808SS**  trans-66.1113.1158.8-92.2-99.3000108.7C909C909-F911 PolarHBondContact O-N 3.26Å
912I24.7Very low25.5Very low147 Ų147153.3 Ų153.375%0.75481%0.809SS**  trans-97.9110.3164.9-62.7177.1000106.4N910 D914N910-I912 PolarHBondContact O-N 3.38Å; I912-D914 PolarHBondContact O-N 3.14Å
913N25.8Very low25.4Very low132 Ų132156.2 Ų156.271%0.70681%0.81SS**  trans-63.6123.8174.7-101.8-18000110.4T915N913-T915 PolarHBondContact O-N 3.04Å
914D27Very low25.4Very low155 Ų155151.6 Ų151.683%0.82980%0.801SS**SBendtrans-71.211-176.2-82-36.4000115.8I912 I916I912-D914 PolarHBondContact O-N 3.14Å; D914-I916 VanDerWaalsContact C-N 3.32Å; D914-I916 PolarHBondContact O-N 3.2Å
915T28.5Very low25.4Very low124 Ų124149.8 Ų149.876%0.76180%0.8SS**THydrogen-bonded Turntrans-80.710.1-171.635.10000116.6N913N913-T915 PolarHBondContact O-N 3.04Å
916I26.9Very low25.6Very low156 Ų156152 Ų15280%0.880%0.797SS**THydrogen-bonded Turntrans-112.46.3-176.9-60.5-179000114.8D914D914-I916 VanDerWaalsContact C-N 3.32Å; D914-I916 PolarHBondContact O-N 3.2Å
917L26Very low25.5Very low171 Ų171152.9 Ų152.990%0.89580%0.798SS**  trans-118.142-179.3-103130.8000115.4
918E26.4Very low25.6Very low186 Ų186154 Ų15487%0.86980%0.798SS**  trans-114.982.6164.2-74-166.8159.500111
919Q24.8Very low25.7Very low189 Ų189151.1 Ų151.188%0.88380%0.797SS**  trans-178.173.9154.8-107.3175.528.200111.9
920K26.2Very low26Very low185 Ų185151 Ų15180%0.80480%0.798SS**  trans-145.190.9152.8-73.9-162.8178.91730110.5Y922K920-Y922 PolarHBondContact O-N 2.94Å
921S24.9Very low25.9Very low109 Ų109154.2 Ų154.276%0.76281%0.805SS**  trans-62115.8164.935.90000110.4
922Y26.3Very low26Very low208 Ų208152.9 Ų152.982%0.81680%0.799SS**  trans-91.8115.2168.3-87.9-87.8000109.6K920K920-Y922 PolarHBondContact O-N 2.94Å
923H25.3Very low25.9Very low168 Ų168152.8 Ų152.878%0.77880%0.796SS**  trans-68.8135174.1-85.9-81.8000111.5S925H923-S925 PolarHBondContact O-N 3.45Å
924P26.2Very low25.8Very low103 Ų103154.6 Ų154.667%0.66980%0.8SS**  trans-76.4114.3174.729.2-29.8000110.2
925S28.4Very low25.8Very low121 Ų121156 Ų15685%0.84680%0.799SS**  trans-81.2120.1176.348.20000111.1H923H923-S925 PolarHBondContact O-N 3.45Å
926H28Very low25.7Very low169 Ų169156 Ų15678%0.78280%0.798SS**  trans-62.5142.7-176.4-70.8-93.9000114.7L928H926-L928 PolarHBondContact O-N 3.18Å
927T22.9Very low25.6Very low136 Ų136155.4 Ų155.483%0.83480%0.797SS**  trans-45.2121155.720.90000112.2
928L25.5Very low25.7Very low165 Ų165158.3 Ų158.386%0.86480%0.796SS**  trans-116.9109.4158.2-13684.1000109.4H926H926-L928 PolarHBondContact O-N 3.18Å
929S25.3Very low25.7Very low115 Ų115155.8 Ų155.880%0.80479%0.793SS**  trans-83.8125.6164.41800000108.1
930S27.5Very low25.9Very low106 Ų106152.8 Ų152.874%0.74179%0.788SS**  trans-152114.6156.263.60000111.4
931K23.8Very low26Very low197 Ų197153.2 Ų153.286%0.85779%0.792SS**  trans-59.3137.9157.7-68.6171.7169.4179.40110.1
932K25.2Very low26.1Very low168 Ų168159.7 Ų159.773%0.7380%0.8SS**  158.9130.7117-98.2-178.3162.1-109.60111.7
933E23.7Very low26.3Very low146 Ų146160.7 Ų160.768%0.68280%0.802SS**  trans46.8107.2137-69.9161.6159.900119.2
934E23.9Very low26.5Very low170 Ų170158 Ų15879%0.79480%0.802SS**  45.9100118.6-152.8-174.2174.100117.6
935K26.3Very low26.7Very low185 Ų185163 Ų16380%0.80481%0.814SS**  -179.7137.8112.3-96.7172.7-176.3178.60111.2D937K935-D937 PolarHBondContact O-N 3.13Å
936T25.6Very low26.8Very low122 Ų122162.4 Ų162.475%0.74881%0.809SS**  trans-36.6122.9161.543.50000112.9
937D26.3Very low26.7Very low144 Ų144159.7 Ų159.777%0.7781%0.809SS**  -176.6146.8109.2-102.1-36.9000113.7K935 V939K935-D937 PolarHBondContact O-N 3.13Å; D937-V939 PolarHBondContact O-N 3.31Å
938R27.5Very low27Very low233 Ų233156 Ų15688%0.87980%0.798SS**  trans-37.4115.9-179.5-63162.2168.6175.9-3.2115.5
939V26Very low27Very low132 Ų132154.5 Ų154.580%0.880%0.795SS**  trans-151.7113.1146.91790000111.4D937D937-V939 PolarHBondContact O-N 3.31Å
940T29.8Very low27Very low126 Ų126158.5 Ų158.577%0.77379%0.793SS**  trans19.6115.9153.650.20000119.9R942T940-R942 PolarHBondContact O-N 2.92Å
941H28.2Very low26.9Very low194 Ų194158.2 Ų158.290%0.89879%0.787SS**  trans-51.1102.2161-78.4-80.9000112R943H941-R943 PolarHBondContact O-N 2.89Å
942R27.1Very low26.9Very low246 Ų246155.3 Ų155.393%0.92877%0.77SS**  trans-63.6100.1155.2-90-176.8172.8178-1.6107.8T940 S944T940-R942 PolarHBondContact O-N 2.92Å; R942-S944 PolarHBondContact O-N 2.99Å
943R28.8Very low26.8Very low229 Ų229151.9 Ų151.986%0.86476%0.76SS**  trans-57.4101.9164.9-93.2179.6173.7164.3-1.5108.7H941 K945H941-R943 PolarHBondContact O-N 2.89Å; R943-K945 PolarHBondContact O-N 3.27Å
944S30.4Very low26.9Very low111 Ų111150.1 Ų150.178%0.77675%0.754SS**  trans-61.5117.8161.832.80000108.1R942 S946R942-S944 PolarHBondContact O-N 2.99Å; S944-S946 VanDerWaalsContact C-N 3.31Å; S944-S946 PolarHBondContact O-N 3.24Å
945K30.3Very low27Very low209 Ų209146.4 Ų146.491%0.90975%0.746SS**  trans-64.887.6175.3-71.3175.5176.71760108.9R943 S947R943-K945 PolarHBondContact O-N 3.27Å; K945-S947 PolarHBondContact O-N 3.2Å
946S29.6Very low27Very low108 Ų108140.9 Ų140.976%0.75573%0.73SS**  trans-65.6116.4163.153.80000107.6S944 G948S944-S946 VanDerWaalsContact C-N 3.31Å; S944-S946 PolarHBondContact O-N 3.24Å; S946-G948 PolarHBondContact O-N 3.39Å
947S26.9Very low27Very low111 Ų111142.3 Ų142.378%0.77673%0.728SS**  trans-61.184.2171.152.30000109.3K945 V949K945-S947 PolarHBondContact O-N 3.2Å; S947-V949 PolarHBondContact O-N 3Å
948G29.2Very low27Very low59 Ų59139.7 Ų139.761%0.60872%0.717SS**  trans-66.1116.6179.500000110.2S946 R950S946-G948 PolarHBondContact O-N 3.39Å; G948-R950 PolarHBondContact O-N 2.93Å; G948-R950 VanDerWaalsContact O-N 3.1Å
949V26Very low26.8Very low133 Ų133130.1 Ų130.181%0.80669%0.691SS**  trans-56.7109.6161.2176.70000106.6S947 V951S947-V949 PolarHBondContact O-N 3Å; V949-V951 HydrophobicContact CG1-CG2 4.47Å; V949-V951 PolarHBondContact O-N 2.68Å
950R24.9Very low26.9Very low200 Ų200128.1 Ų128.176%0.75568%0.675SS**  trans-78.9106.2174.3-75.8-170.8-86.5-159.9-2.5107.7G948 W952G948-R950 PolarHBondContact O-N 2.93Å; G948-R950 VanDerWaalsContact O-N 3.1Å; R950-W952 PolarHBondContact O-NE1 3.07Å
951V24.9Very low26.8Very low100 Ų100126.6 Ų126.661%0.60667%0.665SS**  trans-78.1131.5172.1-1780000107.7V949V949-V951 HydrophobicContact CG1-CG2 4.47Å; V949-V951 PolarHBondContact O-N 2.68Å
952W23.7Very low26.9Very low136 Ų136124.9 Ų124.952%0.51566%0.657SS.*EExtended strand (participates in β ladder)trans-111.2116-178.7-59.885.1000108R950 I1036 P1038R950-W952 PolarHBondContact O-NE1 3.07Å; W952-I1036 HydrophobicContact CB-CG2 4.2Å; W952-I1036 HydrophobicContact CD2-CG2 4.45Å; W952-I1036 HydrophobicContact CE3-CG2 3.85Å; W952-P1038 HydrophobicContact CE3-CB 4.46Å; W952-P1038 HydrophobicContact CZ3-CB 4.18Å; W952-P1038 HydrophobicContact CZ3-CG 4.37Å
953D24.5Very low26.9Very low96 Ų96120.8 Ų120.851%0.51365%0.649SS.*EExtended strand (participates in β ladder)trans-82125.6173-74.2-33000109.1
954I25.7Very low26.8Very low109 Ų109117.9 Ų117.956%0.55965%0.65SS**EExtended strand (participates in β ladder)trans-98.3104.6177.7-57.4175000106.6C1034 I1036I954-C1034 HydrophobicContact CG2-CB 4.27Å; I954-I1036 HydrophobicContact CG1-CG1 4.35Å
955C26.1Very low26.8Very low92 Ų92122.5 Ų122.562%0.62265%0.651SS**EExtended strand (participates in β ladder)trans-95.1111.2172.7-66.40000108.9C1034 Q1035C955-C1034 WeakPolarHBondContact O-CA 3.36Å; C955-Q1035 PolarHBondContact N-O 3.04Å; C955-Q1035 PolarHBondContact O-N 3.03Å
956C25.2Very low26.7Very low69 Ų69116.5 Ų116.547%0.46665%0.648SS.*EExtended strand (participates in β ladder)trans-96.9114.6172-65.10000108.9V1032 C1034C956-V1032 HydrophobicContact CB-CG1 4.14Å; C956-C1034 HydrophobicContact CB-CB 4.2Å; C956-C1034 WeakPolarHBondContact CB-SG 3.41Å; C956-C1034 WeakPolarHBondContact SG-CB 3.25Å; C956-C1034 CovalentContact SG-SG 2.06Å; C956-C1034 PolarHBondContact SG-SG 2.87Å
957Q26.2Very low26.6Very low151 Ų151117.8 Ų117.871%0.70665%0.651SS**EExtended strand (participates in β ladder)trans-99.3119176.3-165.3170.4-2.200108.9S1033Q957-S1033 PolarHBondContact N-O 3.33Å; Q957-S1033 PolarHBondContact O-N 3.34Å; Q957-S1033 VanDerWaalsContact O-N 3.09Å
958V25.5Very low26.7Very low90 Ų90120.9 Ų120.955%0.54565%0.654SS.*EExtended strand (participates in β ladder)trans-88.5106.2174.5-174.20000107.3F1030 V1032V958-F1030 HydrophobicContact CG1-CB 4.04Å; V958-F1030 HydrophobicContact CG1-CD1 4.15Å; V958-F1030 HydrophobicContact CG1-CG 4.44Å; V958-V1032 HydrophobicContact CG1-CG2 4.38Å; V958-V1032 HydrophobicContact CG2-CG1 4.41Å; V958-V1032 HydrophobicContact CG2-CG2 4.07Å
959G24.7Very low26.8Very low31 Ų31123.7 Ų123.732%0.3266%0.661SS.*EExtended strand (participates in β ladder)trans-104.1135179.400000111.6S1031G959-S1031 PolarHBondContact N-O 2.76Å; G959-S1031 PolarHBondContact O-N 2.81Å
960I27.5Very low27.1Very low91 Ų91124 Ų12447%0.46766%0.657SS.*EExtended strand (participates in β ladder)trans-75.4119.2170.6-60.1169.9000107.6Q962 L1028 F1030I960-Q962 HydrophobicContact CG2-CG 4.44Å; I960-Q962 PolarHBondContact O-N 2.93Å; I960-L1028 HydrophobicContact CG2-CD2 3.82Å; I960-F1030 HydrophobicContact CD1-CE1 4.15Å; I960-F1030 HydrophobicContact CG1-CD1 3.79Å; I960-F1030 HydrophobicContact CG1-CE1 3.59Å
961V26.8Very low27.5Very low93 Ų93123.3 Ų123.356%0.56465%0.654SS**  trans-78.391.9174.6-177.70000107.9Q963 K1029V961-Q963 PolarHBondContact O-N 2.98Å; V961-K1029 PolarHBondContact N-O 2.95Å
962Q31.2Very low28.4Very low159 Ų159123 Ų12374%0.74366%0.656SS**  trans-70.3117166.1-77.9-175.3-900108.1I960 N964I960-Q962 HydrophobicContact CG2-CG 4.44Å; I960-Q962 PolarHBondContact O-N 2.93Å; Q962-N964 PolarHBondContact O-N 3.12Å; Q962-N964 VanDerWaalsContact O-N 3.1Å
963Q27.2Very low29.4Very low160 Ų160122.8 Ų122.875%0.74866%0.661SS**  trans-62.3113.5174.9-153.617733.200107.7V961 R965V961-Q963 PolarHBondContact O-N 2.98Å; Q963-R965 VanDerWaalsContact C-N 3.32Å; Q963-R965 PolarHBondContact O-N 3.18Å
964N27.2Very low30.2Very low168 Ų168123 Ų12390%0.89866%0.662SS**  trans-53.190.1178.1-71.5-20.4000110.5Q962Q962-N964 PolarHBondContact O-N 3.12Å; Q962-N964 VanDerWaalsContact O-N 3.1Å
965R29.2Very low30.9Very low208 Ų208122.8 Ų122.879%0.78566%0.661SS**  trans-95.5109.7162.3-73.7-169.1179.3-166.7-0.4105.8Q963 T967Q963-R965 VanDerWaalsContact C-N 3.32Å; Q963-R965 PolarHBondContact O-N 3.18Å; R965-T967 PolarHBondContact O-N 3.34Å
966G27.7Very low31.7Very low82 Ų82125.5 Ų125.585%0.84567%0.665SS**  trans-49.5109.5179.700000110.5E968G966-E968 VanDerWaalsContact C-N 3.34Å; G966-E968 PolarHBondContact O-N 3.25Å
967T27.7Very low32.6Very low136 Ų136126.3 Ų126.383%0.83467%0.671SS**  trans-80.190.2164.839.10000106.8R965R965-T967 PolarHBondContact O-N 3.34Å
968E29.5Very low33.2Very low176 Ų176125.1 Ų125.182%0.82267%0.668SS**PPolyproline II helixtrans-58.1136.6154.3-77.7-174.8158.400108.4G966 I970G966-E968 VanDerWaalsContact C-N 3.34Å; G966-E968 PolarHBondContact O-N 3.25Å; E968-I970 PolarHBondContact O-N 3.46Å
969P31.6Very low33.8Very low118 Ų118126.6 Ų126.677%0.76667%0.672SS**PPolyproline II helixtrans-69.1120.8-173.226.4-32.2000110.5R971P969-R971 PolarHBondContact O-N 3.35Å
970I32.6Very low34.7Very low138 Ų138129.6 Ų129.671%0.70869%0.688SS**PPolyproline II helixtrans-57.5117.5172-62.3166.8000107.7E968 D974E968-I970 PolarHBondContact O-N 3.46Å; I970-D974 HydrophobicContact CG2-CB 4.38Å
971R33.7Very low35.3Very low187 Ų187129.3 Ų129.371%0.70670%0.699SS**PPolyproline II helixtrans-68.2141.5-179.1-71.7-169.8173.9-172.9-0.3109.8P969 E973 D974P969-R971 PolarHBondContact O-N 3.35Å; R971-E973 PolarHBondContact O-N 3.23Å; R971-D974 PolarHBondContact O-N 3.17Å
972S43.2Very low35.6Very low92 Ų92130.8 Ų130.864%0.64371%0.708SS**THydrogen-bonded Turntrans-54.9-13.6-175.532.50000115.5
973E44.2Very low35.6Very low133 Ų133128.1 Ų128.162%0.62171%0.707SS**Hα-helixtrans-70.7-30.9179.2-68.9144.7-150.800112.4R971 I975R971-E973 PolarHBondContact O-N 3.23Å; E973-I975 VanDerWaalsContact C-N 3.31Å; E973-I975 PolarHBondContact O-N 3.41Å
974D41.5Very low35.8Very low101 Ų101123.8 Ų123.854%0.5471%0.705SS.*Hα-helixtrans-75.8-16.9-176.9-69.8-28.2000113.6I970 R971I970-D974 HydrophobicContact CG2-CB 4.38Å; R971-D974 PolarHBondContact O-N 3.17Å
975I40.5Very low36Very low104 Ų104124.7 Ų124.753%0.53371%0.705SS.*Hα-helixtrans-75.5-30.8-179.7-60.8176.8000111E973 I978 I979E973-I975 VanDerWaalsContact C-N 3.31Å; E973-I975 PolarHBondContact O-N 3.41Å; I975-I978 PolarHBondContact O-N 3.42Å; I975-I979 HydrophobicContact CG2-CD1 4.31Å
976Q42.3Very low35.9Very low149 Ų149121 Ų12170%0.69671%0.705SS**Hα-helixtrans-71-31.7179.1-81.1178.8-13.300112.4I978 I979 S980Q976-I978 VanDerWaalsContact C-N 3.32Å; Q976-I978 PolarHBondContact O-N 3.27Å; Q976-I979 PolarHBondContact O-N 3.4Å; Q976-S980 PolarHBondContact O-N 3.16Å; Q976-S980 PolarHBondContact O-OG 2.82Å
977S45.2Very low35.9Very low86 Ų86123.7 Ų123.760%0.60170%0.7SS**Hα-helixtrans-67.9-30.2177.9-52.50000113.2
978I38.9Very low36.1Very low125 Ų125124.1 Ų124.164%0.64170%0.697SS**Hα-helixtrans-75.3-35-179.6-61.9174.7000111.2I975 Q976 T982I975-I978 PolarHBondContact O-N 3.42Å; Q976-I978 VanDerWaalsContact C-N 3.32Å; Q976-I978 PolarHBondContact O-N 3.27Å; I978-T982 PolarHBondContact O-OG1 3.39Å
979I38.5Very low35.9Very low121 Ų121122 Ų12262%0.62170%0.7SS**Hα-helixtrans-74.3-33.7-178.6-61.6173.7000111.3I975 Q976 A981I975-I979 HydrophobicContact CG2-CD1 4.31Å; Q976-I979 PolarHBondContact O-N 3.4Å; I979-A981 VanDerWaalsContact C-N 3.3Å; I979-A981 PolarHBondContact O-N 3.05Å
980S42.3Very low35.8Very low94 Ų94124.4 Ų124.466%0.65771%0.706SS**Hα-helixtrans-73.4-18.4178.5-58.80000114.2Q976Q976-S980 PolarHBondContact O-N 3.16Å; Q976-S980 PolarHBondContact O-OG 2.82Å
981A41.5Very low35.5Very low85 Ų85125.3 Ų125.370%0.70271%0.713SS**THydrogen-bonded Turntrans-82.5-10.2-176.800000114.3I979I979-A981 VanDerWaalsContact C-N 3.3Å; I979-A981 PolarHBondContact O-N 3.05Å
982T33Very low35.1Very low124 Ų124119.3 Ų119.376%0.76171%0.709SS**THydrogen-bonded Turntrans-100.24.5-173.24.40000115.1I978I978-T982 PolarHBondContact O-OG1 3.39Å
983S29.5Very low34.5Very low103 Ų103121.2 Ų121.272%0.7272%0.722SS**  trans-119.988.5174.768.80000112
984G31.4Very low33.6Very low69 Ų69125.4 Ų125.471%0.71173%0.732SS**  trans-176.798.5171.800000114.2
985Q31.4Very low32.9Very low188 Ų188129.7 Ų129.788%0.87975%0.751SS**  trans53.9102150.4-69174.9-2100116.9
986V27.3Very low32.2Very low130 Ų130134.6 Ų134.679%0.78876%0.764SS**  28.79375.2-168.10000112.7
987N28.8Very low31.6Very low138 Ų138132.2 Ų132.274%0.73877%0.77SS**  -173.1135.4128.1-92.3-9.5000113.2
988D30.3Very low30.7Very low146 Ų146138 Ų13878%0.78179%0.785SS**  trans68.6109.1146.5-58.5-25.2000122.4
989C26Very low30.1Very low130 Ų130143.2 Ų143.288%0.87880%0.798SS**  trans-45.5137.2153.5-61.70000112.7
990N29Very low29.6Very low170 Ų170145.1 Ų145.191%0.90981%0.809SS**  trans-149.7144.4140.3-139.5-5.6000112.7
991D27.2Very low28.9Very low157 Ų157152 Ų15284%0.8482%0.821SS**  trans-99.3157.5-159.1-157.6-2.7000112.1
992G25.4Very low28.2Very low60 Ų60160.1 Ų160.162%0.61983%0.833SS**  trans78.997.5155.200000119.2
993S30.9Very low27.8Very low132 Ų132159.2 Ų159.292%0.92383%0.832SS**  trans-167.682.3144.7-82.30000111.7
994R24.5Very low27.7Very low222 Ų222164 Ų16484%0.83884%0.84SS**  trans-111.691.3170.4-154.9179.8-153.1175.16.3108.5
995M27.7Very low27.4Very low190 Ų190166.4 Ų166.494%0.93685%0.846SS**PPolyproline II helixtrans-94.5121.6173.1-92.8-107.9173.700109.8
996Y24.3Very low27.1Very low207 Ų207167.1 Ų167.181%0.81285%0.846SS**PPolyproline II helixtrans-78.6123.1175.9-82.7-95.6000110.9
997A30.5Very low26.9Very low99 Ų99169.9 Ų169.982%0.81885%0.851SS**PPolyproline II helixtrans-92.7124.2167.500000110.3
998K27.2Very low26.8Very low209 Ų209169.5 Ų169.591%0.90985%0.853SS**PPolyproline II helixtrans-69.2139.6-178.3-86.8173.4171.8173.50112.5
999Y25Very low26.4Very low234 Ų234170.7 Ų170.792%0.91885%0.854SS**PPolyproline II helixtrans-61.7132.7167.9-96-105.5000112.2
1000D29.2Very low26.4Very low160 Ų160169.6 Ų169.686%0.85685%0.848SS**  trans-116131.2170.7-136.1-13000110.9
1001R26.8Very low26.2Very low239 Ų239172.4 Ų172.490%0.90285%0.846SS**  trans-75.4131.9-178-89.2176.8167.7175-3.5110
1002R26.6Very low26.1Very low255 Ų255172 Ų17296%0.96284%0.843SS**  trans-141.3151.7154.7-121.6178.4-172.2176.62.6113
1003S25Very low26.1Very low105 Ų105176.8 Ų176.873%0.73485%0.854SS**  trans-104.2145.3-150.7-42.30000112.7
1004K26.2Very low25.9Very low203 Ų203175.4 Ų175.488%0.88384%0.844SS**  trans38.4114.4145.1-64.9-178.5177.2-178.30118.7
1005S26.7Very low25.9Very low120 Ų120172.5 Ų172.584%0.83984%0.84SS**  -166.2135.9124.623.20000110.2
1006F23.9Very low25.8Very low204 Ų204172.7 Ų172.790%0.89584%0.841SS**  trans-65.9134.9174.2-78.1-111.6000110
1007E24.2Very low25.8Very low187 Ų187168.1 Ų168.187%0.87484%0.835SS**  179.6119.7118.3-99.9174.2175.700109.9H1009E1007-H1009 PolarHBondContact O-N 2.64Å
1008T25.2Very low25.6Very low130 Ų130170.6 Ų170.680%0.79884%0.835SS**  trans-57.5119.2170.6380000111.1
1009H22.8Very low25.7Very low171 Ų171165 Ų16579%0.79283%0.827SS**  trans-161.5109.1139.5-106.758.8000109.4E1007 R1011E1007-H1009 PolarHBondContact O-N 2.64Å; H1009-R1011 PolarHBondContact O-N 3.28Å
1010S26.6Very low25.9Very low108 Ų108159 Ų15976%0.75582%0.82SS**  trans26.582.8147.459.70000117.2
1011R23.6Very low26Very low229 Ų229158 Ų15886%0.86482%0.82SS**  trans-122.5103.3152.7-86.6-176.9168.7175-2.7106.8H1009 L1013H1009-R1011 PolarHBondContact O-N 3.28Å; R1011-L1013 PolarHBondContact O-N 3.13Å
1012N26.3Very low26Very low147 Ų147152.4 Ų152.479%0.78681%0.812SS**  3772.793.6-81.7-20.9000110.6S1014N1012-S1014 PolarHBondContact O-N 3.28Å
1013L24.8Very low26.1Very low161 Ų161152.4 Ų152.484%0.84381%0.812SS**  trans-76.859.1166.6-13991.7000109.4R1011 Q1015R1011-L1013 PolarHBondContact O-N 3.13Å; L1013-Q1015 PolarHBondContact O-N 3.06Å
1014S26.2Very low26.3Very low103 Ų103155 Ų15572%0.7282%0.816SS**  trans-7678.4149.947.80000106.9N1012N1012-S1014 PolarHBondContact O-N 3.28Å
1015Q25.6Very low26.3Very low161 Ų161150.1 Ų150.175%0.75281%0.807SS**  trans-162.957.8166.1-109.1175.138.100110.4L1013L1013-Q1015 PolarHBondContact O-N 3.06Å
1016M24.2Very low26.4Very low194 Ų194149.6 Ų149.696%0.95680%0.801SS**  trans-118.576.5145.8-97.1176.468.200107
1017T26Very low26.6Very low112 Ų112145.7 Ų145.769%0.68780%0.796SS**  trans-70.1134.4162.324.90000109.7
1018N26.2Very low26.7Very low151 Ų151142.4 Ų142.481%0.80778%0.784SS**  trans8669.4152.3-54-8.4000117.8
1019A27.7Very low26.9Very low91 Ų91144.4 Ų144.475%0.75278%0.781SS**  trans-122.490.1133.200000107.5T1021A1019-T1021 PolarHBondContact O-N 3.21Å
1020S30.7Very low27.1Very low108 Ų108142.3 Ų142.376%0.75577%0.771SS**  trans-6598.8174.644.40000109.7
1021T30.6Very low27.2Very low140 Ų140140 Ų14086%0.85976%0.755SS**  trans150.860.8145.152.60000111.2A1019A1019-T1021 PolarHBondContact O-N 3.21Å
1022T27.3Very low27.4Very low120 Ų120133.7 Ų133.774%0.73674%0.741SS**  trans-143.396.4157.725.60000106.9I1024T1022-I1024 PolarHBondContact O-N 3.38Å
1023R28.2Very low27.5Very low255 Ų255130.7 Ų130.796%0.96273%0.731SS**  trans-61105.1171.1-87.3-177.8178.8173.11107.5S1025R1023-S1025 PolarHBondContact O-N 3.25Å
1024I28.3Very low27.6Very low161 Ų161126.5 Ų126.583%0.82672%0.715SS**  trans-66.2101.9167.6-59.1171.5000106.2T1022T1022-I1024 PolarHBondContact O-N 3.38Å
1025S27Very low27.8Very low99 Ų99129.4 Ų129.469%0.69272%0.717SS**PPolyproline II helixtrans-69.4127.7174.739.30000109.4R1023R1023-S1025 PolarHBondContact O-N 3.25Å
1026P29.4Very low27.8Very low110 Ų110126.8 Ų126.871%0.71471%0.707SS**PPolyproline II helixtrans-68.4145.2175.326.3-31.1000110.5L1028P1026-L1028 PolarHBondContact O-N 3.4Å
1027P28.1Very low28Very low121 Ų121119.4 Ų119.479%0.78668%0.681SS**PPolyproline II helixtrans-61.6132.6-169.922.7-32.6000112.6K1029P1027-K1029 PolarHBondContact O-N 3.18Å
1028L26.6Very low28.2Very low118 Ų118118.4 Ų118.462%0.61868%0.676SS**PPolyproline II helixtrans-62.7125-176.4-68.9159.3000111I960 P1026 F1030I960-L1028 HydrophobicContact CG2-CD2 3.82Å; P1026-L1028 PolarHBondContact O-N 3.4Å; L1028-F1030 HydrophobicContact CB-CE2 4.17Å; L1028-F1030 HydrophobicContact CB-CZ 4.11Å; L1028-F1030 WeakPolarHBondContact O-CE2 3.35Å
1029K27.8Very low28.3Very low172 Ų172114.9 Ų114.975%0.74866%0.664SS**PPolyproline II helixtrans-97.3124.2173.5-68.8-175.2178.2-175.20109.9V961 P1027V961-K1029 PolarHBondContact N-O 2.95Å; P1027-K1029 PolarHBondContact O-N 3.18Å
1030F27.1Very low28.4Very low128 Ų128118.3 Ų118.356%0.56167%0.668SS**EExtended strand (participates in β ladder)trans-97.2143.8179.7-57.7-88000110.1V958 I960 L1028V958-F1030 HydrophobicContact CG1-CB 4.04Å; V958-F1030 HydrophobicContact CG1-CD1 4.15Å; V958-F1030 HydrophobicContact CG1-CG 4.44Å; I960-F1030 HydrophobicContact CD1-CE1 4.15Å; I960-F1030 HydrophobicContact CG1-CD1 3.79Å; I960-F1030 HydrophobicContact CG1-CE1 3.59Å; L1028-F1030 HydrophobicContact CB-CE2 4.17Å; L1028-F1030 HydrophobicContact CB-CZ 4.11Å; L1028-F1030 WeakPolarHBondContact O-CE2 3.35Å
1031S28.6Very low28.5Very low60 Ų60118.9 Ų118.942%0.4267%0.667SS.*EExtended strand (participates in β ladder)trans-123.4138.616873.10000109.8G959G959-S1031 PolarHBondContact N-O 2.76Å; G959-S1031 PolarHBondContact O-N 2.81Å
1032V28Very low28.4Very low95 Ų95117.8 Ų117.858%0.57666%0.66SS**EExtended strand (participates in β ladder)trans-107.2123.2-178.8-173.30000108C956 V958C956-V1032 HydrophobicContact CB-CG1 4.14Å; V958-V1032 HydrophobicContact CG1-CG2 4.38Å; V958-V1032 HydrophobicContact CG2-CG1 4.41Å; V958-V1032 HydrophobicContact CG2-CG2 4.07Å
1033S28.2Very low28.5Very low84 Ų84118.4 Ų118.459%0.58766%0.659SS**EExtended strand (participates in β ladder)trans-122.1130170660000109.3Q957Q957-S1033 PolarHBondContact N-O 3.33Å; Q957-S1033 PolarHBondContact O-N 3.34Å; Q957-S1033 VanDerWaalsContact O-N 3.09Å
1034C28.4Very low28.5Very low74 Ų74113.2 Ų113.250%0.565%0.65SS.*EExtended strand (participates in β ladder)trans-110126.3-179.3-580000109.3I954 C955 C956I954-C1034 HydrophobicContact CG2-CB 4.27Å; C955-C1034 WeakPolarHBondContact O-CA 3.36Å; C956-C1034 HydrophobicContact CB-CB 4.2Å; C956-C1034 WeakPolarHBondContact CB-SG 3.41Å; C956-C1034 WeakPolarHBondContact SG-CB 3.25Å; C956-C1034 CovalentContact SG-SG 2.06Å; C956-C1034 PolarHBondContact SG-SG 2.87Å
1035Q28.9Very low28.5Very low164 Ų164111.1 Ų111.177%0.76665%0.645SS**EExtended strand (participates in β ladder)trans-115.9130.8176-160.5173.20.800109.2C955C955-Q1035 PolarHBondContact N-O 3.04Å; C955-Q1035 PolarHBondContact O-N 3.03Å
1036I27.3Very low28.6Very low105 Ų105113.3 Ų113.354%0.53865%0.654SS.*EExtended strand (participates in β ladder)trans-106.7118.1-175.9-55.8175.5000107.4W952 I954W952-I1036 HydrophobicContact CB-CG2 4.2Å; W952-I1036 HydrophobicContact CD2-CG2 4.45Å; W952-I1036 HydrophobicContact CE3-CG2 3.85Å; I954-I1036 HydrophobicContact CG1-CG1 4.35Å
1037G28.6Very low28.6Very low39 Ų39114.4 Ų114.440%0.40266%0.659SS.*EExtended strand (participates in β ladder)trans-140.4139.7-177.800000112.6
1038P29.3Very low28.4Very low92 Ų92119.8 Ų119.860%0.59766%0.664SS**EExtended strand (participates in β ladder)trans-78131.4-177.929.5-32.2000112.3W952W952-P1038 HydrophobicContact CE3-CB 4.46Å; W952-P1038 HydrophobicContact CZ3-CB 4.18Å; W952-P1038 HydrophobicContact CZ3-CG 4.37Å
1039S28.9Very low28.3Very low77 Ų77122.4 Ų122.454%0.53867%0.672SS.*  trans-76.6128.2-179.861.40000112.2T1041S1039-T1041 PolarHBondContact O-N 3.42Å
1040L30.3Very low28.2Very low163 Ų163123 Ų12385%0.85368%0.68SS**  trans-83.9108.9173.5-112.898.1000109.5V1042L1040-V1042 PolarHBondContact O-N 3.24Å
1041T31Very low28.1Very low119 Ų119121.9 Ų121.973%0.7368%0.684SS**  trans-67.9109.6168.3430000110.2S1039 N1043S1039-T1041 PolarHBondContact O-N 3.42Å; T1041-N1043 PolarHBondContact O-N 3.11Å
1042V29.6Very low28Very low117 Ų117126 Ų12671%0.70970%0.701SS**  trans-74.1102.6176-178.40000109.1L1040 N1044L1040-V1042 PolarHBondContact O-N 3.24Å; V1042-N1044 PolarHBondContact O-N 3.12Å
1043N29.6Very low28.1Very low133 Ų133128.9 Ų128.971%0.71171%0.712SS**  trans-77.4101.5170.9-79.5-24.1000109.4T1041 T1045T1041-N1043 PolarHBondContact O-N 3.11Å; N1043-T1045 VanDerWaalsContact C-N 3.29Å; N1043-T1045 PolarHBondContact O-N 3.16Å
1044N26.9Very low27.9Very low147 Ų147130 Ų13079%0.78672%0.72SS**  trans-75.477.5171-76.2-12.7000110.5V1042V1042-N1044 PolarHBondContact O-N 3.12Å
1045T28.8Very low27.9Very low117 Ų117136.7 Ų136.772%0.71874%0.736SS**  trans-89.9113160.237.20000109.4N1043 T1047N1043-T1045 VanDerWaalsContact C-N 3.29Å; N1043-T1045 PolarHBondContact O-N 3.16Å; T1045-T1047 PolarHBondContact O-N 3.14Å
1046V28.4Very low27.7Very low144 Ų144137.5 Ų137.587%0.87374%0.74SS**  trans-56111.3169.9177.20000109.5
1047T29.4Very low27.7Very low133 Ų133138.1 Ų138.182%0.81675%0.754SS**  trans-125.3121.3165.322.30000109.9T1045T1045-T1047 PolarHBondContact O-N 3.14Å
1048R24.8Very low27.6Very low235 Ų235147.2 Ų147.289%0.88778%0.776SS**  trans-49.3141.7178.3-86.6172.9164.2145.2-5.4113.4
1049H25.3Very low27.6Very low172 Ų172150.7 Ų150.780%0.79678%0.784SS**  trans0.8111.6146.9-80.7-90.4000116.3
1050M25.7Very low27.5Very low186 Ų186155.6 Ų155.692%0.91680%0.798SS**  trans-130.3110.6140.8-90.7-76.6148.900106.5
1051T25.1Very low27.4Very low104 Ų104153 Ų15364%0.63879%0.789SS**  trans-58.9154.8164.919.20000110.9
1052D26.7Very low27.2Very low145 Ų145155.7 Ų155.778%0.77579%0.791SS**  trans96.5131.3156.9-58.2-26.5000119.7
1053L28.9Very low27Very low157 Ų157159.7 Ų159.782%0.82280%0.799SS**  trans91.780.4161.8-63152.5000116.8Y1055L1053-Y1055 PolarHBondContact O-N 3.17Å
1054S24Very low26.8Very low107 Ų107163.6 Ų163.675%0.74881%0.805SS**  trans-22113.9130.153.30000113.4
1055Y27.8Very low26.7Very low214 Ų214161.4 Ų161.484%0.83980%0.801SS**  trans-150.9128.5147.3-129.6-90.6000109.8L1053 S1057L1053-Y1055 PolarHBondContact O-N 3.17Å; Y1055-S1057 PolarHBondContact O-N 3.42Å
1056E25.8Very low26.6Very low182 Ų182160.5 Ų160.585%0.8580%0.8SS**  trans-50.7119.3-178.2-60.6165.3143.800112.2
1057S26.1Very low26.5Very low117 Ų117162.1 Ų162.182%0.81880%0.798SS**  trans-110.393.5163.165.10000109.3Y1055 E1059Y1055-S1057 PolarHBondContact O-N 3.42Å; S1057-E1059 PolarHBondContact O-N 3.21Å
1058R28.1Very low26.3Very low230 Ų230162.5 Ų162.587%0.86879%0.794SS**  trans-22123.7162.6-88.7171.7166.6169.7-3.9113.5H1060R1058-H1060 PolarHBondContact O-N 3.33Å
1059E29.6Very low26.3Very low165 Ų165157.1 Ų157.177%0.77179%0.791SS**  trans-46106.4164-66174.4144.500111.2S1057 T1061S1057-E1059 PolarHBondContact O-N 3.21Å; E1059-T1061 HydrophobicContact CB-CG2 4.4Å; E1059-T1061 PolarHBondContact O-N 2.97Å
1060H26.5Very low26.3Very low180 Ų180154.8 Ų154.883%0.83378%0.784SS**  trans-77.172.4158.5-77.3-40.9000109.1R1058 K1062R1058-H1060 PolarHBondContact O-N 3.33Å; H1060-K1062 PolarHBondContact O-N 3.48Å
1061T26.7Very low26.4Very low108 Ų108150.9 Ų150.966%0.66378%0.782SS**  trans-67.980.6161.637.40000108.6E1059 K1063E1059-T1061 HydrophobicContact CB-CG2 4.4Å; E1059-T1061 PolarHBondContact O-N 2.97Å; T1061-K1063 VanDerWaalsContact C-N 3.27Å; T1061-K1063 PolarHBondContact O-N 3.17Å
1062K27.3Very low26.5Very low176 Ų176151 Ų15177%0.76579%0.787SS**  trans-65.494.9163.5-82.9-177.1177.3177.40107.8H1060 Y1064H1060-K1062 PolarHBondContact O-N 3.48Å; K1062-Y1064 PolarHBondContact O-N 2.93Å
1063K26.3Very low26.5Very low202 Ų202147.8 Ų147.888%0.87878%0.776SS**  trans-46.896.2163.5-74.9177.1174.9177.80109.1T1061 S1065T1061-K1063 VanDerWaalsContact C-N 3.27Å; T1061-K1063 PolarHBondContact O-N 3.17Å; K1063-S1065 PolarHBondContact O-N 3.09Å
1064Y25.8Very low26.3Very low214 Ų214149.4 Ų149.484%0.83978%0.776SS**  trans-75.5100.2156.9-88-87.2000106.1K1062 S1066K1062-Y1064 PolarHBondContact O-N 2.93Å; Y1064-S1066 PolarHBondContact O-N 3.1Å
1065S24.6Very low26.4Very low102 Ų102148.8 Ų148.871%0.71378%0.778SS**  trans-56.4103.3168.452.30000108.4K1063 Q1067K1063-S1065 PolarHBondContact O-N 3.09Å; S1065-Q1067 VanDerWaalsContact C-N 3.26Å; S1065-Q1067 PolarHBondContact O-N 3.23Å
1066S26.9Very low26.3Very low98 Ų98144.3 Ų144.369%0.68577%0.773SS**  trans-59.195.2158.653.40000107.2Y1064 L1068Y1064-S1066 PolarHBondContact O-N 3.1Å; S1066-L1068 PolarHBondContact O-N 3.44Å
1067Q26.1Very low26.3Very low177 Ų177146.6 Ų146.683%0.82778%0.775SS**  trans-62.396.5159.9-89175.1-21.700106.1S1065 C1069S1065-Q1067 VanDerWaalsContact C-N 3.26Å; S1065-Q1067 PolarHBondContact O-N 3.23Å; Q1067-C1069 PolarHBondContact O-N 3.37Å
1068L25.1Very low26.2Very low142 Ų142148.4 Ų148.474%0.74378%0.775SS**  trans-53.5106162-9683.3000106.7S1066 D1070S1066-L1068 PolarHBondContact O-N 3.44Å; L1068-D1070 PolarHBondContact O-N 2.89Å
1069C24.9Very low26.1Very low121 Ų121143.1 Ų143.182%0.81877%0.771SS**  trans-76.199.7159.7-72.30000106.6Q1067 A1071Q1067-C1069 PolarHBondContact O-N 3.37Å; C1069-A1071 PolarHBondContact O-N 2.88Å
1070D25Very low25.8Very low123 Ų123142.7 Ų142.766%0.65877%0.772SS**  trans-58.6101.1171.6-108.5-26.5000109.7L1068 S1072L1068-D1070 PolarHBondContact O-N 2.89Å; D1070-S1072 PolarHBondContact O-N 3.13Å; D1070-S1072 VanDerWaalsContact O-N 3.13Å
1071A26.8Very low25.6Very low105 Ų105142.7 Ų142.787%0.86878%0.775SS**THydrogen-bonded Turntrans-81.224.9-178.700000113.2C1069C1069-A1071 PolarHBondContact O-N 2.88Å
1072S26.7Very low25.5Very low105 Ų105145.4 Ų145.473%0.73478%0.782SS**THydrogen-bonded Turntrans-91.5-0.417856.70000113.8D1070D1070-S1072 PolarHBondContact O-N 3.13Å; D1070-S1072 VanDerWaalsContact O-N 3.13Å
1073S26.9Very low25.3Very low79 Ų79140.4 Ų140.455%0.55278%0.78SS**SBendtrans-119.732.4-168.358.80000116
1074F26.1Very low25.3Very low190 Ų190139.2 Ų139.283%0.83378%0.775SS**  trans-142.781.3163.8-71.9-76.1000111.9T1076F1074-T1076 PolarHBondContact O-N 3.42Å
1075A24.7Very low25.2Very low95 Ų95138.8 Ų138.879%0.78578%0.777SS**  trans-81.6102.8158.600000108
1076T25.5Very low25.3Very low119 Ų119141.8 Ų141.873%0.7379%0.785SS**  trans-149.8114.2163.6-10.40000108.9F1074 L1078F1074-T1076 PolarHBondContact O-N 3.42Å; T1076-L1078 PolarHBondContact O-N 2.96Å
1077Y27.1Very low25.1Very low230 Ų230145.2 Ų145.290%0.90279%0.79SS**SBendtrans-64.798.9178.3-74.1-100.9000109.4
1078L24.2Very low25.1Very low155 Ų155143 Ų14381%0.81279%0.789SS**SBendtrans161.6135.2147.7-86.9150000108.6T1076 I1080T1076-L1078 PolarHBondContact O-N 2.96Å; L1078-I1080 PolarHBondContact O-N 2.95Å
1079P24.6Very low25.1Very low120 Ų120142.9 Ų142.978%0.77979%0.788SS**  trans-77.696.5-165.831.8-32.6000110.8M1081P1079-M1081 PolarHBondContact O-N 3.23Å
1080I24.5Very low25.1Very low155 Ų155145.5 Ų145.580%0.79579%0.791SS**  trans-85.1105.3166.8-60.2176.5000108L1078 M1082L1078-I1080 PolarHBondContact O-N 2.95Å; I1080-M1082 PolarHBondContact O-N 3.2Å
1081M22.5Very low25.2Very low181 Ų181145 Ų14589%0.89280%0.795SS**  trans-60.999.3172.9-72.2-99.2-79.900110.6P1079 G1083P1079-M1081 PolarHBondContact O-N 3.23Å; M1081-G1083 PolarHBondContact O-N 3.32Å; M1081-G1083 VanDerWaalsContact O-N 3.07Å
1082M23.7Very low25.1Very low164 Ų164145.7 Ų145.781%0.80879%0.79SS**  trans-78.782.8168.8-77.2-147.1-155.200110.9I1080 K1084I1080-M1082 PolarHBondContact O-N 3.2Å; M1082-K1084 PolarHBondContact O-N 3.04Å; M1082-K1084 VanDerWaalsContact O-N 3.16Å
1083G22.9Very low25.2Very low71 Ų71145.1 Ų145.173%0.73279%0.791SS**  trans-72.792.3158.800000109.9M1081 K1085M1081-G1083 PolarHBondContact O-N 3.32Å; M1081-G1083 VanDerWaalsContact O-N 3.07Å; G1083-K1085 PolarHBondContact O-N 2.9Å
1084K26.8Very low25.2Very low178 Ų178147.8 Ų147.877%0.77480%0.804SS**  trans-68.3104171.5-80.8-175.2176.5177.40109.4M1082 L1086M1082-K1084 PolarHBondContact O-N 3.04Å; M1082-K1084 VanDerWaalsContact O-N 3.16Å; K1084-L1086 PolarHBondContact O-N 3.13Å; K1084-L1086 VanDerWaalsContact O-N 3.09Å
1085K24.3Very low25.2Very low204 Ų204146 Ų14689%0.88780%0.803SS**  trans-55.9106.4162.7-73.4179.8175.7179.10108.7G1083 Q1087G1083-K1085 PolarHBondContact O-N 2.9Å; K1085-Q1087 PolarHBondContact O-N 3.4Å; K1085-Q1087 VanDerWaalsContact O-N 3.17Å
1086L25.5Very low25.5Very low165 Ų165146.9 Ų146.986%0.86480%0.803SS**  trans-7897.2172.2-86.7158.2000109.1K1084 V1088K1084-L1086 PolarHBondContact O-N 3.13Å; K1084-L1086 VanDerWaalsContact O-N 3.09Å; L1086-V1088 PolarHBondContact O-N 2.65Å
1087Q23.6Very low25.5Very low171 Ų171150.1 Ų150.180%0.79981%0.808SS**  trans-75108.8169.8-167.8174.1500108.4K1085 N1089K1085-Q1087 PolarHBondContact O-N 3.4Å; K1085-Q1087 VanDerWaalsContact O-N 3.17Å; Q1087-N1089 PolarHBondContact O-N 2.93Å; Q1087-N1089 VanDerWaalsContact O-N 3.17Å
1088V26.4Very low25.5Very low131 Ų131145.6 Ų145.679%0.79480%0.799SS**  trans-74.3102.5177.9-177.90000108.5L1086 M1090L1086-V1088 PolarHBondContact O-N 2.65Å; V1088-M1090 PolarHBondContact O-N 2.97Å
1089N24.1Very low25.6Very low139 Ų139144.7 Ų144.774%0.74380%0.8SS**  trans-64.3112.2171.9-79.6-23.7000109.6Q1087Q1087-N1089 PolarHBondContact O-N 2.93Å; Q1087-N1089 VanDerWaalsContact O-N 3.17Å
1090M25.4Very low25.6Very low175 Ų175144.5 Ų144.586%0.86280%0.802SS**PPolyproline II helixtrans-63129.1167.2-78.8-151128.500109.5V1088V1088-M1090 PolarHBondContact O-N 2.97Å
1091P26Very low25.7Very low114 Ų114143.2 Ų143.274%0.7480%0.801SS**PPolyproline II helixtrans-70.9147.917927.6-31.2000110.9
1092P25.2Very low25.7Very low119 Ų119143.3 Ų143.377%0.77380%0.799SS**PPolyproline II helixtrans-65.9142.1-171.8-14.528.3000112.4V1094P1092-V1094 PolarHBondContact O-N 2.88Å
1093A28.2Very low25.7Very low92 Ų92142.2 Ų142.276%0.7680%0.795SS**  trans-57.4115.6178.700000111.2N1095A1093-N1095 PolarHBondContact O-N 2.9Å; A1093-N1095 VanDerWaalsContact O-N 3.14Å
1094V28.5Very low25.8Very low135 Ų135147.1 Ų147.182%0.81880%0.799SS**  trans-73.4105.9172.9177.70000108P1092 S1096P1092-V1094 PolarHBondContact O-N 2.88Å; V1094-S1096 PolarHBondContact O-N 3.31Å; V1094-S1096 VanDerWaalsContact O-N 3.14Å
1095N26.3Very low25.6Very low154 Ų154144.3 Ų144.382%0.82480%0.797SS**  trans-59.2105.6169.3-75.6-26.2000110.1A1093A1093-N1095 PolarHBondContact O-N 2.9Å; A1093-N1095 VanDerWaalsContact O-N 3.14Å
1096S29.8Very low25.6Very low112 Ų112140.7 Ų140.778%0.78379%0.792SS**  trans-110.7105.3159.956.30000109.7V1094V1094-S1096 PolarHBondContact O-N 3.31Å; V1094-S1096 VanDerWaalsContact O-N 3.14Å
1097K26.2Very low25.6Very low188 Ų188141.4 Ų141.482%0.81779%0.791SS**  trans-59.9140.2170.8-78.9178.9172.7179.80111.4
1098D26.6Very low25.6Very low134 Ų134142.2 Ų142.272%0.71779%0.792SS**  trans51.3114.1142.2-56.2-33.6000119.6
1099T26.7Very low25.7Very low137 Ų137141.7 Ų141.784%0.8479%0.791SS**  -164.5110.310518.60000109.4T1101T1099-T1101 PolarHBondContact O-N 2.69Å
1100S24.8Very low25.7Very low116 Ų116143.7 Ų143.781%0.81180%0.798SS**  trans-65.1111.5174.353.10000111.1
1101T25.4Very low25.8Very low128 Ų128142.9 Ų142.979%0.78580%0.796SS**  trans-10895156.346.90000108.5T1099 I1103T1099-T1101 PolarHBondContact O-N 2.69Å; T1101-I1103 PolarHBondContact O-N 2.9Å
1102Q24.5Very low26Very low182 Ų182144.7 Ų144.785%0.8580%0.798SS**  trans-58.8107.1172-160.717629.900108.9
1103I23.3Very low26.4Very low142 Ų142143 Ų14373%0.72880%0.795SS**  trans-110.8105.3166.3-61.9178.6000106.4T1101 T1105T1101-I1103 PolarHBondContact O-N 2.9Å; I1103-T1105 PolarHBondContact O-N 2.9Å; I1103-T1105 VanDerWaalsContact O-N 3.11Å
1104Q23.5Very low26.8Very low173 Ų173144.1 Ų144.181%0.80879%0.787SS**  trans-59.8103.5171.3-81.1174-20.100109.7
1105T24.2Very low27.5Very low120 Ų120142.2 Ų142.274%0.73678%0.776SS**  trans-89.5109.7160.227.30000108.7I1103 E1107I1103-T1105 PolarHBondContact O-N 2.9Å; I1103-T1105 VanDerWaalsContact O-N 3.11Å; T1105-E1107 PolarHBondContact O-N 2.86Å
1106V23.8Very low28.2Very low128 Ų128138.2 Ų138.278%0.77676%0.76SS**  trans-67.397.5173.5177.70000108.3K1108V1106-K1108 PolarHBondContact O-N 2.82Å
1107E24.7Very low28.7Very low179 Ų179136.1 Ų136.184%0.83675%0.745SS**  trans-69.1108.7172.1-73.9-179160.800109.5T1105T1105-E1107 PolarHBondContact O-N 2.86Å
1108K23.6Very low29.4Very low189 Ų189132.4 Ų132.482%0.82273%0.733SS**  trans-81.5124.2162.6-81.9-175.8175.6179.70108.1V1106 M1110V1106-K1108 PolarHBondContact O-N 2.82Å; K1108-M1110 PolarHBondContact O-N 3.4Å; K1108-M1110 VanDerWaalsContact O-N 3.08Å
1109P28.3Very low30Very low119 Ų119133.5 Ų133.577%0.77373%0.732SS**  trans-75.6104.5-165.930.7-33.1000109.4I1111P1109-I1111 PolarHBondContact O-N 3.43Å
1110M24.4Very low31.1Very low182 Ų182133.3 Ų133.390%0.89772%0.721SS**  trans-76.1108.5165.2-151.7171.8177.800106.3K1108 L1112K1108-M1110 PolarHBondContact O-N 3.4Å; K1108-M1110 VanDerWaalsContact O-N 3.08Å; M1110-L1112 PolarHBondContact O-N 3.31Å
1111I28.3Very low32.3Very low158 Ų158131.4 Ų131.481%0.8170%0.704SS**  trans-51.495.7-178.5-62.3162.6000108.2P1109 A1113P1109-I1111 PolarHBondContact O-N 3.43Å; I1111-A1113 VanDerWaalsContact C-N 3.33Å; I1111-A1113 PolarHBondContact O-N 3.04Å
1112L31Very low33Very low151 Ų151128.9 Ų128.979%0.79169%0.689SS**  trans-64.1101.1168.6-119.195.8000105.6M1110 N1114M1110-L1112 PolarHBondContact O-N 3.31Å; L1112-N1114 VanDerWaalsContact C-N 3.31Å; L1112-N1114 PolarHBondContact O-N 3.37Å
1113A31.9Very low33.8Very low85 Ų85126.5 Ų126.570%0.70268%0.676SS**  trans-5898.7173.600000108.5I1111 V1115I1111-A1113 VanDerWaalsContact C-N 3.33Å; I1111-A1113 PolarHBondContact O-N 3.04Å; A1113-V1115 PolarHBondContact O-N 3.44Å
1114N37.3Very low34.7Very low114 Ų114122.5 Ų122.561%0.6166%0.66SS**  trans28.688.9153.7-116.1-16.3000114.7L1112 S1116 S1117L1112-N1114 VanDerWaalsContact C-N 3.31Å; L1112-N1114 PolarHBondContact O-N 3.37Å; N1114-S1116 PolarHBondContact O-N 3.4Å; N1114-S1117 PolarHBondContact O-N 2.85Å; N1114-S1117 PolarHBondContact O-OG 3.35Å
1115V42.5Very low35.3Very low96 Ų96123 Ų12358%0.58266%0.655SS**Hα-helixtrans-50-22.4163.8175.30000111.6A1113 S1117 I1118 K1119A1113-V1115 PolarHBondContact O-N 3.44Å; V1115-S1117 VanDerWaalsContact C-N 3.32Å; V1115-S1117 PolarHBondContact O-N 2.88Å; V1115-I1118 PolarHBondContact O-N 3.4Å; V1115-K1119 PolarHBondContact O-N 3.22Å
1116S41.7Very low35.8Very low70 Ų70122 Ų12249%0.4964%0.644SS.*Hα-helixtrans-58.3-34168.8-76.40000114.3N1114 K1119 E1120N1114-S1116 PolarHBondContact O-N 3.4Å; S1116-K1119 PolarHBondContact O-N 3.24Å; S1116-E1120 WeakPolarHBondContact O-CB 3.33Å; S1116-E1120 VanDerWaalsContact O-CG 3.28Å; S1116-E1120 WeakPolarHBondContact O-CG 3.33Å; S1116-E1120 PolarHBondContact O-N 3.21Å
1117S41Very low36.4Very low67 Ų67120.8 Ų120.847%0.46963%0.633SS.*Hα-helixtrans-68.6-40.1177.776.90000111.2N1114 V1115 K1119 E1120 V1121N1114-S1117 PolarHBondContact O-N 2.85Å; N1114-S1117 PolarHBondContact O-OG 3.35Å; V1115-S1117 VanDerWaalsContact C-N 3.32Å; V1115-S1117 PolarHBondContact O-N 2.88Å; S1117-K1119 VanDerWaalsContact C-N 3.32Å; S1117-K1119 PolarHBondContact O-N 3.04Å; S1117-E1120 PolarHBondContact O-N 2.96Å; S1117-V1121 WeakPolarHBondContact O-CB 3.33Å; S1117-V1121 WeakPolarHBondContact O-CG2 3.26Å; S1117-V1121 PolarHBondContact O-N 2.97Å
1118I40Very low36.9Very low110 Ų110119 Ų11956%0.56462%0.624SS**Hα-helixtrans-65.6-39.9175.5-59.9176.4000109.9V1115 V1121 V1122V1115-I1118 PolarHBondContact O-N 3.4Å; I1118-V1121 PolarHBondContact O-N 2.77Å; I1118-V1122 WeakPolarHBondContact O-CB 3.32Å; I1118-V1122 VanDerWaalsContact O-CG2 3.26Å; I1118-V1122 WeakPolarHBondContact O-CG2 3.46Å; I1118-V1122 PolarHBondContact O-N 3.28Å
1119K39.8Very low37.4Very low157 Ų157113.3 Ų113.368%0.68361%0.608SS**Hα-helixtrans-68.3-37.3177.7-126179.3-177.5179.40112.9V1115 S1116 S1117 K1123V1115-K1119 PolarHBondContact O-N 3.22Å; S1116-K1119 PolarHBondContact O-N 3.24Å; S1117-K1119 VanDerWaalsContact C-N 3.32Å; S1117-K1119 PolarHBondContact O-N 3.04Å; K1119-K1123 WeakPolarHBondContact O-CB 3.11Å; K1119-K1123 PolarHBondContact O-N 2.88Å
1120E49.4Very low37.5Very low134 Ų134114.1 Ų114.163%0.62660%0.602SS**Hα-helixtrans-67-44.3173.3-78-78.7135.500110.7S1116 S1117 V1122 K1123 S1124S1116-E1120 WeakPolarHBondContact O-CB 3.33Å; S1116-E1120 VanDerWaalsContact O-CG 3.28Å; S1116-E1120 WeakPolarHBondContact O-CG 3.33Å; S1116-E1120 PolarHBondContact O-N 3.21Å; S1117-E1120 PolarHBondContact O-N 2.96Å; E1120-V1122 PolarHBondContact O-N 2.86Å; E1120-K1123 CarbonylContact O-C 3.54Å; E1120-K1123 PolarHBondContact O-N 2.74Å; E1120-K1123 VanDerWaalsContact O-N 3.14Å; E1120-S1124 PolarHBondContact O-N 2.82Å; E1120-S1124 PolarHBondContact O-OG 2.76Å; E1120-S1124 VanDerWaalsContact O-OG 3.13Å
1121V49.8Very low37.8Very low75 Ų75109.6 Ų109.646%0.45559%0.588SS.*Hα-helixtrans-61.7-42.9177.3170.40000111.6S1117 I1118 K1123 S1124 W1125S1117-V1121 WeakPolarHBondContact O-CB 3.33Å; S1117-V1121 WeakPolarHBondContact O-CG2 3.26Å; S1117-V1121 PolarHBondContact O-N 2.97Å; I1118-V1121 PolarHBondContact O-N 2.77Å; V1121-K1123 VanDerWaalsContact C-N 3.34Å; V1121-S1124 VanDerWaalsContact CA-OG 3.28Å; V1121-S1124 WeakPolarHBondContact CA-OG 3.48Å; V1121-S1124 PolarHBondContact O-N 3.1Å; V1121-S1124 PolarHBondContact O-OG 3.03Å; V1121-W1125 PolarHBondContact O-N 3.14Å
1122V40.4Very low37.8Very low76 Ų76106.3 Ų106.346%0.46158%0.579SS.*Hα-helixtrans-67.8-36.6176173.50000111.1I1118 E1120 W1125 L1126I1118-V1122 WeakPolarHBondContact O-CB 3.32Å; I1118-V1122 VanDerWaalsContact O-CG2 3.26Å; I1118-V1122 WeakPolarHBondContact O-CG2 3.46Å; I1118-V1122 PolarHBondContact O-N 3.28Å; E1120-V1122 PolarHBondContact O-N 2.86Å; V1122-W1125 PolarHBondContact O-N 3.39Å; V1122-L1126 HydrophobicContact CG1-CD1 4.18Å; V1122-L1126 PolarHBondContact O-N 3.28Å; V1122-L1126 VanDerWaalsContact O-N 3.07Å
1123K40.9Very low37.6Very low132 Ų132107.8 Ų107.857%0.57458%0.579SS**Hα-helixtrans-68.2-39.9173.7-99.8-173.9170.6-172.50112.8K1119 E1120 V1121 W1125 L1126 I1127K1119-K1123 WeakPolarHBondContact O-CB 3.11Å; K1119-K1123 PolarHBondContact O-N 2.88Å; E1120-K1123 CarbonylContact O-C 3.54Å; E1120-K1123 PolarHBondContact O-N 2.74Å; E1120-K1123 VanDerWaalsContact O-N 3.14Å; V1121-K1123 VanDerWaalsContact C-N 3.34Å; K1123-W1125 VanDerWaalsContact C-N 3.31Å; K1123-L1126 PolarHBondContact O-N 3.27Å; K1123-I1127 VanDerWaalsContact O-CG1 3.29Å; K1123-I1127 WeakPolarHBondContact O-CG1 3.25Å; K1123-I1127 PolarHBondContact O-N 3.18Å
1124S41.2Very low37.3Very low57 Ų57111.3 Ų111.340%0.39959%0.585SS.*Hα-helixtrans-63.4-41.5175.749.50000110.3E1120 V1121 L1126 I1127 E1128E1120-S1124 PolarHBondContact O-N 2.82Å; E1120-S1124 PolarHBondContact O-OG 2.76Å; E1120-S1124 VanDerWaalsContact O-OG 3.13Å; V1121-S1124 VanDerWaalsContact CA-OG 3.28Å; V1121-S1124 WeakPolarHBondContact CA-OG 3.48Å; V1121-S1124 PolarHBondContact O-N 3.1Å; V1121-S1124 PolarHBondContact O-OG 3.03Å; S1124-L1126 VanDerWaalsContact C-N 3.34Å; S1124-L1126 PolarHBondContact O-N 2.9Å; S1124-I1127 PolarHBondContact O-N 2.81Å; S1124-E1128 WeakPolarHBondContact O-CB 3.36Å; S1124-E1128 PolarHBondContact O-N 3.42Å
1125W37.5Very low36.8Very low184 Ų184110.4 Ų110.470%0.69759%0.587SS**Hα-helixtrans-63-37.3175.4-80.29000113.3V1121 V1122 K1123 S1129V1121-W1125 PolarHBondContact O-N 3.14Å; V1122-W1125 PolarHBondContact O-N 3.39Å; K1123-W1125 VanDerWaalsContact C-N 3.31Å; W1125-S1129 PolarHBondContact O-N 3.27Å; W1125-S1129 PolarHBondContact O-OG 3.34Å
1126L33.8Very low36.1Very low98 Ų98111.7 Ų111.751%0.51360%0.601SS.*Hα-helixtrans-71.1-36175-102.2135.7000113V1122 K1123 S1124 S1129 E1130V1122-L1126 HydrophobicContact CG1-CD1 4.18Å; V1122-L1126 PolarHBondContact O-N 3.28Å; V1122-L1126 VanDerWaalsContact O-N 3.07Å; K1123-L1126 PolarHBondContact O-N 3.27Å; S1124-L1126 VanDerWaalsContact C-N 3.34Å; S1124-L1126 PolarHBondContact O-N 2.9Å; L1126-S1129 WeakPolarHBondContact CA-OG 3.47Å; L1126-S1129 PolarHBondContact O-N 2.82Å; L1126-S1129 PolarHBondContact O-OG 2.72Å; L1126-S1129 VanDerWaalsContact O-OG 3.13Å; L1126-E1130 PolarHBondContact O-N 2.99Å; L1126-E1130 VanDerWaalsContact O-N 3.14Å
1127I37.2Very low35.5Very low104 Ų104116.7 Ų116.753%0.53362%0.616SS.*Hα-helixtrans-75.9-34.2177.8-65.4166.8000111.3K1123 S1124 S1129 E1130 S1131K1123-I1127 VanDerWaalsContact O-CG1 3.29Å; K1123-I1127 WeakPolarHBondContact O-CG1 3.25Å; K1123-I1127 PolarHBondContact O-N 3.18Å; S1124-I1127 PolarHBondContact O-N 2.81Å; I1127-S1129 VanDerWaalsContact C-N 3.25Å; I1127-S1129 PolarHBondContact O-N 3.19Å; I1127-E1130 PolarHBondContact O-N 3.32Å; I1127-S1131 WeakPolarHBondContact O-CB 3.28Å; I1127-S1131 PolarHBondContact O-N 3.13Å; I1127-S1131 PolarHBondContact O-OG 2.96Å
1128E33.9Very low34.8Very low140 Ų140123.5 Ų123.565%0.65464%0.637SS**Hα-helixtrans-64.9-31.9173-122.5170.4-179.800111.7S1124S1124-E1128 WeakPolarHBondContact O-CB 3.36Å; S1124-E1128 PolarHBondContact O-N 3.42Å
1129S34.4Very low34.1Very low70 Ų70127.3 Ų127.349%0.4966%0.655SS.*Hα-helixtrans-79.6-25.1175.233.40000113.6W1125 L1126 I1127W1125-S1129 PolarHBondContact O-N 3.27Å; W1125-S1129 PolarHBondContact O-OG 3.34Å; L1126-S1129 WeakPolarHBondContact CA-OG 3.47Å; L1126-S1129 PolarHBondContact O-N 2.82Å; L1126-S1129 PolarHBondContact O-OG 2.72Å; L1126-S1129 VanDerWaalsContact O-OG 3.13Å; I1127-S1129 VanDerWaalsContact C-N 3.25Å; I1127-S1129 PolarHBondContact O-N 3.19Å
1130E31.6Very low33.4Very low136 Ų136129.2 Ų129.264%0.63666%0.663SS**Hα-helixtrans-88-24.7176.2-74.3-176.1171.600114.5L1126 I1127 S1132L1126-E1130 PolarHBondContact O-N 2.99Å; L1126-E1130 VanDerWaalsContact O-N 3.14Å; I1127-E1130 PolarHBondContact O-N 3.32Å; E1130-S1132 VanDerWaalsContact C-N 3.35Å; E1130-S1132 PolarHBondContact O-N 3.35Å
1131S30.5Very low32.4Very low88 Ų88131.3 Ų131.362%0.61567%0.67SS**THydrogen-bonded Turntrans-86.33.6-176.1550000115.6I1127I1127-S1131 WeakPolarHBondContact O-CB 3.28Å; I1127-S1131 PolarHBondContact O-N 3.13Å; I1127-S1131 PolarHBondContact O-OG 2.96Å
1132S27.3Very low31.4Very low88 Ų88134.8 Ų134.862%0.61569%0.692SS**THydrogen-bonded Turntrans-94.49173.552.30000114.4E1130 I1134E1130-S1132 VanDerWaalsContact C-N 3.35Å; E1130-S1132 PolarHBondContact O-N 3.35Å; S1132-I1134 PolarHBondContact O-N 3.11Å; S1132-I1134 VanDerWaalsContact O-N 3.14Å
1133F27.1Very low30.9Very low183 Ų183138.3 Ų138.380%0.80370%0.703SS**  trans-81.880168.9-78.2-84.4000111.4S1135F1133-S1135 PolarHBondContact O-N 3.29Å
1134I26.7Very low30.5Very low159 Ų159140.6 Ų140.682%0.81572%0.716SS**  trans-82.2114.9171.8-63.4177.2000110S1132S1132-I1134 PolarHBondContact O-N 3.11Å; S1132-I1134 VanDerWaalsContact O-N 3.14Å
1135S25.7Very low30Very low94 Ų94144.4 Ų144.466%0.65773%0.732SS**  trans-13.8126.7165.2175.20000118F1133 E1137F1133-S1135 PolarHBondContact O-N 3.29Å; S1135-E1137 VanDerWaalsContact C-N 3.32Å; S1135-E1137 PolarHBondContact O-N 2.64Å
1136S27.5Very low29.6Very low124 Ų124145 Ų14587%0.86773%0.734SS**SBendtrans-76.153.3-178.6-168.10000114.6
1137E29.1Very low29.6Very low175 Ų175147 Ų14782%0.81875%0.745SS**  trans-124.119.5-177.4-126.2179.9-174.800116.9S1135S1135-E1137 VanDerWaalsContact C-N 3.32Å; S1135-E1137 PolarHBondContact O-N 2.64Å
1138K27.2Very low29.3Very low209 Ų209149.9 Ų149.991%0.90976%0.758SS**  trans-126.256.4168.5-76.1-174.1178.2177.40113.2
1139M24.2Very low29Very low190 Ų190148.8 Ų148.894%0.93676%0.756SS**  trans-113.477.5155.5-74-162110.400109.6
1140K26.9Very low28.8Very low198 Ų198150.6 Ų150.686%0.86176%0.76SS**  trans-116.8108.7164.6-88.9-177.6178.8172.70109.6
1141K27.7Very low28.7Very low177 Ų177150.5 Ų150.577%0.7776%0.764SS**  trans63.896.2149.6-62.7-175.4173.8-171.90118.2
1142T27.9Very low28.6Very low148 Ų148152.8 Ų152.891%0.90877%0.769SS**  trans-131.578.2142.112.60000108.3H1144T1142-H1144 VanDerWaalsContact C-N 3.3Å; T1142-H1144 PolarHBondContact O-N 3.02Å; T1142-H1144 VanDerWaalsContact O-N 3.1Å
1143E31.2Very low28.6Very low150 Ų150153.8 Ų153.870%0.70177%0.771SS**THydrogen-bonded Turntrans-82.971.5-179.7-159.8164.7-148.200109
1144H31.1Very low28.7Very low181 Ų181154 Ų15484%0.83877%0.772SS**THydrogen-bonded Turntrans-142.76.5170.8-125.447000116.9T1142T1142-H1144 VanDerWaalsContact C-N 3.3Å; T1142-H1144 PolarHBondContact O-N 3.02Å; T1142-H1144 VanDerWaalsContact O-N 3.1Å
1145N31.4Very low28.6Very low137 Ų137151.8 Ų151.873%0.73377%0.766SS**SBendtrans-111.18.3175.2-88.6-11.4000115.1
1146R29.4Very low28.6Very low197 Ų197152.8 Ų152.874%0.74377%0.768SS**Hα-helixtrans-78.5-22.2-179.6-129.8176.1-170.5154.82.2114.3
1147N34.4Very low28.4Very low140 Ų140154.1 Ų154.175%0.74977%0.766SS**Hα-helixtrans-85.4-19-178.6-75.8-5.6000114.2
1148M29.5Very low28.2Very low164 Ų164151.5 Ų151.581%0.80877%0.765SS**Hα-helixtrans-80-28.8175-88.4-133.9156.200113.3
1149L28.2Very low28.1Very low116 Ų116152 Ų15261%0.60776%0.763SS**Hα-helixtrans-79.1-26.1-175.9-162.864.2000113.7N1151 L1152 T1153L1149-N1151 VanDerWaalsContact C-N 3.3Å; L1149-N1151 PolarHBondContact O-N 3.07Å; L1149-L1152 PolarHBondContact O-N 3.11Å; L1149-T1153 PolarHBondContact O-OG1 3.44Å
1150N29.8Very low28Very low108 Ų108146.3 Ų146.358%0.57875%0.753SS**Hα-helixtrans-74.4-18.9178.5-80-5.9000113.7
1151N30.7Very low27.8Very low134 Ų134145 Ų14572%0.71775%0.754SS**Hα-helixtrans-87.6-14.7175.8-75.1-7.8000113.1L1149L1149-N1151 VanDerWaalsContact C-N 3.3Å; L1149-N1151 PolarHBondContact O-N 3.07Å
1152L27.7Very low27.6Very low137 Ų137143.6 Ų143.672%0.71775%0.754SS**Hα-helixtrans-92.2-13.3179.7-143.478.4000113.9L1149L1149-L1152 PolarHBondContact O-N 3.11Å
1153T28Very low27.3Very low108 Ų108144.4 Ų144.466%0.66375%0.752SS**SBendtrans-100.47.5-177.7350000114.9L1149L1149-T1153 PolarHBondContact O-OG1 3.44Å
1154K28.3Very low27Very low188 Ų188142.4 Ų142.482%0.81775%0.75SS**SBendtrans-111.77.6178.3-93.2-172.2175.9-176.40116.6
1155T25.3Very low26.5Very low113 Ų113141.6 Ų141.669%0.69375%0.751SS**SBendtrans-141.263.5-178.851.70000112.1
1156T24.9Very low26.1Very low115 Ų115142.7 Ų142.771%0.70675%0.752SS**  trans-155.442.5155.4370000111.2C1158T1156-C1158 VanDerWaalsContact C-N 3.26Å; T1156-C1158 PolarHBondContact O-N 2.82Å
1157D24.6Very low26Very low152 Ų152139.5 Ų139.581%0.81375%0.754SS**  trans-88.471.7156-75.6-23.2000107.6Y1159D1157-Y1159 WeakPolarHBondContact O-CD2 3.4Å; D1157-Y1159 PolarHBondContact O-N 2.96Å
1158C24.3Very low25.5Very low119 Ų119137.7 Ų137.780%0.80475%0.753SS**  trans-76.395.1176.4-72.20000109.3T1156T1156-C1158 VanDerWaalsContact C-N 3.26Å; T1156-C1158 PolarHBondContact O-N 2.82Å
1159Y24.7Very low25.2Very low221 Ų221136.1 Ų136.187%0.86775%0.753SS**  trans-45.4133.8165.5-81.1-97.3000111.4D1157 L1161D1157-Y1159 WeakPolarHBondContact O-CD2 3.4Å; D1157-Y1159 PolarHBondContact O-N 2.96Å; Y1159-L1161 PolarHBondContact O-N 3.49Å
1160G22Very low25Very low70 Ų70139.2 Ų139.272%0.72276%0.764SS**  trans-53.7127.1-178.400000113.1I1162G1160-I1162 PolarHBondContact O-N 3.36Å
1161L23Very low24.7Very low170 Ų170141.5 Ų141.589%0.8978%0.775SS**  trans-68.997.6164.2-84.3156000108.7Y1159 L1163Y1159-L1161 PolarHBondContact O-N 3.49Å; L1161-L1163 PolarHBondContact O-N 3.49Å
1162I23.2Very low24.4Very low148 Ų148138.7 Ų138.776%0.75978%0.777SS**  trans-66.9104162.4-63.6171.6000106.6G1160 V1164G1160-I1162 PolarHBondContact O-N 3.36Å; I1162-V1164 HydrophobicContact CG2-CG2 4.15Å; I1162-V1164 PolarHBondContact O-N 2.88Å
1163L22.2Very low24.1Very low164 Ų164136.8 Ų136.886%0.85978%0.775SS**  trans-66.498.4166.3-79.3157.8000108.1L1161 N1165L1161-L1163 PolarHBondContact O-N 3.49Å; L1163-N1165 PolarHBondContact O-N 3.32Å; L1163-N1165 VanDerWaalsContact O-N 3.15Å
1164V24.1Very low23.9Very low109 Ų109136.3 Ų136.366%0.66178%0.783SS**  trans-71.6105.7172177.60000108.1I1162 E1166I1162-V1164 HydrophobicContact CG2-CG2 4.15Å; I1162-V1164 PolarHBondContact O-N 2.88Å; V1164-E1166 HydrophobicContact CG1-CG 4.05Å; V1164-E1166 PolarHBondContact O-N 3.5Å; V1164-E1166 VanDerWaalsContact O-N 3.12Å
1165N21.9Very low23.9Very low163 Ų163134.7 Ų134.787%0.87278%0.783SS**  trans-64.398.1168.4-100.2-18.9000110L1163L1163-N1165 PolarHBondContact O-N 3.32Å; L1163-N1165 VanDerWaalsContact O-N 3.15Å
1166E22.9Very low23.9Very low160 Ų160132.8 Ų132.875%0.74879%0.786SS**  trans-123.880.3165.7-82.2-175.3-173.700110.5V1164V1164-E1166 HydrophobicContact CG1-CG 4.05Å; V1164-E1166 PolarHBondContact O-N 3.5Å; V1164-E1166 VanDerWaalsContact O-N 3.12Å
1167T26.2Very low23.9Very low130 Ų130135.8 Ų135.880%0.79880%0.796SS**  trans-135.667.514543.60000108.4T1169T1167-T1169 PolarHBondContact O-N 3.47Å
1168S24.6Very low24.1Very low102 Ų102137.2 Ų137.271%0.71380%0.798SS**  trans-55102.4154.244.50000108.4Q1170S1168-Q1170 PolarHBondContact O-N 3.35Å
1169T23.2Very low24.2Very low132 Ų132140.3 Ų140.381%0.8180%0.797SS**  trans-6087.8164.426.80000108.3T1167 I1171T1167-T1169 PolarHBondContact O-N 3.47Å; T1169-I1171 PolarHBondContact O-N 3.32Å
1170Q24.1Very low24.3Very low181 Ų181138 Ų13885%0.84680%0.799SS**  trans-66.1102.6164.2-91.7-174.5-3.100107.6S1168 G1172S1168-Q1170 PolarHBondContact O-N 3.35Å; Q1170-G1172 VanDerWaalsContact C-N 3.31Å; Q1170-G1172 PolarHBondContact O-N 2.68Å
1171I22.4Very low24.7Very low155 Ų155139.4 Ų139.480%0.79580%0.795SS**  trans-57.796.7165.8-64.4167.3000106.5T1169 S1173T1169-I1171 PolarHBondContact O-N 3.32Å; I1171-S1173 VanDerWaalsContact C-N 3.32Å; I1171-S1173 PolarHBondContact O-N 3.2Å
1172G24Very low24.8Very low75 Ų75137.8 Ų137.877%0.77379%0.788SS**  trans-65.692.2170.700000109.3Q1170 A1174Q1170-G1172 VanDerWaalsContact C-N 3.31Å; Q1170-G1172 PolarHBondContact O-N 2.68Å; G1172-A1174 PolarHBondContact O-N 3.42Å
1173S22.9Very low24.9Very low97 Ų97140.6 Ų140.668%0.67880%0.795SS**  trans-57117.8166.540.60000109.7I1171 N1175I1171-S1173 VanDerWaalsContact C-N 3.32Å; I1171-S1173 PolarHBondContact O-N 3.2Å; S1173-N1175 PolarHBondContact O-N 2.83Å; S1173-N1175 VanDerWaalsContact O-N 3.12Å
1174A22.6Very low24.9Very low99 Ų99143.1 Ų143.182%0.81879%0.794SS**  trans-58.8106.5175.100000111G1172G1172-A1174 PolarHBondContact O-N 3.42Å
1175N27.9Very low24.9Very low153 Ų153146.2 Ų146.282%0.81880%0.801SS**  trans-121.5109.4166.4-83.9-13.3000109.5S1173S1173-N1175 PolarHBondContact O-N 2.83Å; S1173-N1175 VanDerWaalsContact O-N 3.12Å
1176G27Very low25Very low73 Ų73145.7 Ų145.775%0.75380%0.798SS**  trans59.285.7139.200000117.2E1178G1176-E1178 PolarHBondContact O-N 2.72Å; G1176-E1178 VanDerWaalsContact O-N 3.11Å
1177I23.5Very low25.1Very low179 Ų179147.3 Ų147.392%0.91881%0.806SS**  trans-68.498.1154.3-62.6169.3000107.3
1178E28.8Very low25Very low182 Ų182149.7 Ų149.785%0.8581%0.805SS**  trans-115.5101.5158.1-80.5-164.1153.400109.7G1176G1176-E1178 PolarHBondContact O-N 2.72Å; G1176-E1178 VanDerWaalsContact O-N 3.11Å
1179K26.9Very low25.1Very low184 Ų184151 Ų15180%0.880%0.804SS**  trans34.5110.2141.9-61.6175.9-179.81740117.4
1180L26.8Very low25.3Very low173 Ų173152.1 Ų152.191%0.90681%0.805SS**  -159.8127.5115.7-131.777.1000110.4
1181P31.4Very low25.3Very low98 Ų98148.4 Ų148.464%0.63680%0.8SS**  trans-87.2162.4176.436-31.6000111.1
1182N24.4Very low25.4Very low137 Ų137148 Ų14873%0.73380%0.798SS**  trans83.2106170.7-52.1-24.4000114.6
1183F25.3Very low25.5Very low206 Ų206152.3 Ų152.390%0.90480%0.798SS**  -163.7113.9107.6-102.4-76.8000109H1185F1183-H1185 PolarHBondContact O-N 3.12Å
1184Y21.9Very low25.6Very low218 Ų218153.4 Ų153.486%0.85580%0.8SS**  trans-60.8118.7158.7-84.1-98.8000108.1
1185H24.3Very low25.8Very low174 Ų174156 Ų15681%0.80680%0.8SS**  -175.5133.6126.7-112.2-47.4000112.6F1183 Q1187F1183-H1185 PolarHBondContact O-N 3.12Å; H1185-Q1187 PolarHBondContact O-N 3.5Å
1186N24.9Very low25.6Very low151 Ų151155.5 Ų155.581%0.80780%0.797SS**  trans-29117.2159.8-63.3-33.7000113.8
1187Q24.8Very low25.4Very low195 Ų195157.4 Ų157.491%0.91180%0.796SS**  trans-125.398.1151.9-109.3176.9-3.200108.3H1185H1185-Q1187 PolarHBondContact O-N 3.5Å
1188K23.9Very low25.4Very low179 Ų179157.9 Ų157.978%0.77879%0.787SS**  trans-63.6151.8146.2-87.2-177.7171-176.80108.2
1189D27.2Very low25Very low130 Ų130156.6 Ų156.670%0.69579%0.785SS**  trans73.799.8160.9-50.1-28000115.4
1190N26.3Very low24.8Very low155 Ų155156.3 Ų156.383%0.82978%0.78SS**  -159.391.3122.9-88.1-28.5000109.4I1192N1190-I1192 PolarHBondContact O-N 3.1Å; N1190-I1192 VanDerWaalsContact O-N 3.11Å
1191S24.4Very low24.5Very low104 Ų104154.3 Ų154.373%0.72778%0.775SS**  trans-50.5103.5157.249.80000110.3Q1193S1191-Q1193 VanDerWaalsContact C-N 3.32Å; S1191-Q1193 PolarHBondContact O-N 2.96Å
1192I25.3Very low24.1Very low147 Ų147155.1 Ų155.175%0.75478%0.778SS**  trans-85.687.9160.3-61.5176.7000105.9N1190 T1194N1190-I1192 PolarHBondContact O-N 3.1Å; N1190-I1192 VanDerWaalsContact O-N 3.11Å; I1192-T1194 HydrophobicContact CG2-CG2 4.44Å; I1192-T1194 PolarHBondContact O-N 2.97Å
1193Q25Very low24Very low165 Ų165156.4 Ų156.477%0.77178%0.779SS**  trans-57.4103161.5-84.6175.2-24.900108S1191 N1195S1191-Q1193 VanDerWaalsContact C-N 3.32Å; S1191-Q1193 PolarHBondContact O-N 2.96Å; Q1193-N1195 PolarHBondContact O-N 2.82Å
1194T25.4Very low24Very low119 Ų119152.7 Ų152.773%0.7377%0.774SS**  trans-82.2105.8161.835.40000107.2I1192 L1196I1192-T1194 HydrophobicContact CG2-CG2 4.44Å; I1192-T1194 PolarHBondContact O-N 2.97Å; T1194-L1196 PolarHBondContact O-N 3.2Å
1195N26Very low24.2Very low155 Ų155148.7 Ų148.783%0.82977%0.767SS**  trans-57.991.7173.8-71.4-37.7000110.4Q1193Q1193-N1195 PolarHBondContact O-N 2.82Å
1196L24.1Very low24.3Very low142 Ų142147.8 Ų147.874%0.74377%0.767SS**  trans-94.9130.3157.2-86.7157.9000107.8T1194 Y1198T1194-L1196 PolarHBondContact O-N 3.2Å; L1196-Y1198 PolarHBondContact O-N 3.38Å
1197P23.6Very low24.3Very low112 Ų112145.9 Ų145.973%0.72776%0.76SS**  trans-71.1117.1-167.828.7-32.3000110I1199P1197-I1199 PolarHBondContact O-N 3.06Å; P1197-I1199 VanDerWaalsContact O-N 3.15Å
1198Y23Very low24.3Very low189 Ų189140.8 Ų140.874%0.74174%0.744SS**  trans-61.6110.3166.3-71.6-89.5000108.9L1196 Y1200L1196-Y1198 PolarHBondContact O-N 3.38Å; Y1198-Y1200 HydrophobicContact CG-CE2 4.48Å; Y1198-Y1200 WeakPolarHBondContact O-CD2 3.13Å; Y1198-Y1200 PolarHBondContact O-N 2.62Å
1199I20.4Very low24.4Very low155 Ų155139.6 Ų139.680%0.79575%0.746SS**  trans-8196.4163.9-61.8176.3000106P1197 V1201P1197-I1199 PolarHBondContact O-N 3.06Å; P1197-I1199 VanDerWaalsContact O-N 3.15Å; I1199-V1201 PolarHBondContact O-N 2.97Å
1200Y22.3Very low24.2Very low178 Ų178144.3 Ų144.370%0.69875%0.754SS**  trans-68.3111.6172.5-67.4-88.2000109.1Y1198 T1202Y1198-Y1200 HydrophobicContact CG-CE2 4.48Å; Y1198-Y1200 WeakPolarHBondContact O-CD2 3.13Å; Y1198-Y1200 PolarHBondContact O-N 2.62Å; Y1200-T1202 VanDerWaalsContact C-N 3.28Å; Y1200-T1202 PolarHBondContact O-N 2.65Å; Y1200-T1202 VanDerWaalsContact O-N 3.14Å
1201V21.6Very low24.1Very low132 Ų132142.3 Ų142.380%0.875%0.748SS**  trans-79.786.3162.1-178.40000106.2I1199 E1203I1199-V1201 PolarHBondContact O-N 2.97Å; V1201-E1203 PolarHBondContact O-N 3.26Å; V1201-E1203 VanDerWaalsContact O-N 3.16Å
1202T22.1Very low24.2Very low114 Ų114142.9 Ų142.970%0.69975%0.752SS**  trans-74.9100168.351.50000107.5Y1200 T1204Y1200-T1202 VanDerWaalsContact C-N 3.28Å; Y1200-T1202 PolarHBondContact O-N 2.65Å; Y1200-T1202 VanDerWaalsContact O-N 3.14Å; T1202-T1204 PolarHBondContact O-N 2.8Å; T1202-T1204 VanDerWaalsContact O-N 3.14Å
1203E22.5Very low24.2Very low164 Ų164143.9 Ų143.977%0.76676%0.759SS**  trans-53.9118.6155.2-74.4-178162.200106.3V1201 N1205V1201-E1203 PolarHBondContact O-N 3.26Å; V1201-E1203 VanDerWaalsContact O-N 3.16Å; E1203-N1205 PolarHBondContact O-N 2.78Å
1204T25.3Very low24.3Very low128 Ų128140.9 Ų140.979%0.78576%0.756SS**  trans-62.893.217445.10000107.2T1202 I1206T1202-T1204 PolarHBondContact O-N 2.8Å; T1202-T1204 VanDerWaalsContact O-N 3.14Å; T1204-I1206 VanDerWaalsContact C-N 3.3Å; T1204-I1206 PolarHBondContact O-N 2.94Å
1205N25.9Very low24.3Very low134 Ų134142.7 Ų142.772%0.71776%0.762SS**  trans-51.9100.2164.7-78.1-35.9000107E1203 V1207E1203-N1205 PolarHBondContact O-N 2.78Å; N1205-V1207 HydrophobicContact CB-CG2 3.7Å; N1205-V1207 PolarHBondContact O-N 3.37Å
1206I25.9Very low24.2Very low156 Ų156144.5 Ų144.580%0.877%0.765SS**  trans-67.679.3154.8-59.2173.5000103.8T1204 P1208T1204-I1206 VanDerWaalsContact C-N 3.3Å; T1204-I1206 PolarHBondContact O-N 2.94Å; I1206-P1208 WeakPolarHBondContact O-CD 3.48Å; I1206-P1208 VanDerWaalsContact O-N 3.14Å
1207V25.1Very low24.3Very low111 Ų111146.7 Ų146.767%0.67377%0.774SS**  trans-64.8108.4171.6178.90000105.3N1205 N1209N1205-V1207 HydrophobicContact CB-CG2 3.7Å; N1205-V1207 PolarHBondContact O-N 3.37Å; V1207-N1209 PolarHBondContact O-N 2.76Å
1208P25.3Very low24.3Very low87 Ų87148.1 Ų148.157%0.56578%0.775SS**  trans-70.4126.3173.1117.9000105.6I1206 W1210I1206-P1208 WeakPolarHBondContact O-CD 3.48Å; I1206-P1208 VanDerWaalsContact O-N 3.14Å; P1208-W1210 VanDerWaalsContact C-N 3.3Å; P1208-W1210 PolarHBondContact O-N 3.43Å
1209N25.5Very low24.4Very low154 Ų154147.9 Ų147.982%0.82478%0.778SS**  trans-66.784.8-175.6-146.112.2000109.7V1207V1207-N1209 PolarHBondContact O-N 2.76Å
1210W23.1Very low24.7Very low229 Ų229149.7 Ų149.787%0.86778%0.783SS**  trans-103.975.8173.4-74.860.6000108.8P1208P1208-W1210 VanDerWaalsContact C-N 3.3Å; P1208-W1210 PolarHBondContact O-N 3.43Å
1211T24.2Very low24.7Very low113 Ų113150.7 Ų150.769%0.69379%0.791SS**  trans-139.588.616143.40000108.2
1212S25.8Very low25.1Very low117 Ų117152 Ų15282%0.81879%0.792SS**  trans-145.669161.4-60.70000107.5S1214S1212-S1214 PolarHBondContact O-N 2.89Å
1213D26.6Very low26Very low167 Ų167151.8 Ų151.889%0.89379%0.793SS**  trans-61116.2155.6-79.7-37.2000108.2
1214S25.5Very low26.2Very low103 Ų103153.1 Ų153.172%0.7280%0.799SS**  trans-167.7100.2144.8360000110.4S1212S1212-S1214 PolarHBondContact O-N 2.89Å
1215N26.7Very low26.1Very low157 Ų157152.5 Ų152.584%0.8480%0.8SS**  trans38.6121.1134.6-67.2-19.2000119.9M1217N1215-M1217 PolarHBondContact O-N 3.39Å
1216E23.9Very low26.2Very low193 Ų193155.2 Ų155.290%0.90281%0.805SS**  trans-0.4110.1140.2-69.6-177.8136.900116.1
1217M26.3Very low26.5Very low188 Ų188153.5 Ų153.593%0.92680%0.804SS**  trans-134.8126.9143.8-105.7-176.975.600111.1N1215N1215-M1217 PolarHBondContact O-N 3.39Å
1218N23.3Very low26.6Very low141 Ų141155.1 Ų155.175%0.75481%0.814SS**  trans-47.9144.5179.3-83.7-60.4000115.3
1219K24.6Very low26.6Very low184 Ų184157.5 Ų157.580%0.882%0.822SS**  trans23.7108.3136.2-65.9176.8177.2174.80116.4
1220H26.9Very low26.7Very low194 Ų194159.7 Ų159.790%0.89882%0.824SS**  trans-150.2105134.1-99.7-69000110
1221F23.5Very low26.8Very low198 Ų198156.8 Ų156.887%0.86883%0.825SS**  trans-61.8136.3150.9-94.2-99.8000108.4
1222I28.4Very low26.8Very low159 Ų159159.3 Ų159.382%0.81583%0.829SS**  170.3146.1126.6-85.2161.8000108.4
1223P42.4Very low26.8Very low111 Ų111160.3 Ų160.372%0.72183%0.83SS**  trans-102.9147-152.635.8-24.3000112.8
1224E26.5Very low26.7Very low192 Ų192160.5 Ų160.590%0.89783%0.826SS**  trans-136.3115.3157.5-83.9-169.616000111.2
1225S23.9Very low26.7Very low115 Ų115160.3 Ų160.380%0.80482%0.824SS**  trans-44131.8161.149.10000113.2
1226K26.2Very low26.6Very low191 Ų191160 Ų16083%0.8382%0.822SS**  trans-134.4136.1143.7-79.3-169.5179.6173.90110.6
1227P33.9Very low26.7Very low119 Ų119158.2 Ų158.277%0.77381%0.813SS**PPolyproline II helixtrans-80.6131-163.733.5-32.2000109.6
1228T26.1Very low26.7Very low145 Ų145156.4 Ų156.489%0.8981%0.805SS**PPolyproline II helixtrans-96.8117.8166.1-4.30000108.1
1229D26.3Very low26.8Very low138 Ų138157.5 Ų157.574%0.73880%0.804SS**PPolyproline II helixtrans-55133.1-175.3-76.4-57.4000113.7L1231D1229-L1231 PolarHBondContact O-N 3.2Å
1230K26.5Very low26.7Very low199 Ų199154.3 Ų154.387%0.86580%0.8SS**  trans985.5142-65.4176.2177.6174.80115.2
1231L25.2Very low26.6Very low169 Ų169153.4 Ų153.489%0.88579%0.794SS**  trans-96106.1151.3-113.6148.1000107.6D1229 T1233D1229-L1231 PolarHBondContact O-N 3.2Å; L1231-T1233 PolarHBondContact O-N 2.79Å; L1231-T1233 VanDerWaalsContact O-N 3.14Å
1232Q25.5Very low26.6Very low166 Ų166150.5 Ų150.578%0.77679%0.787SS**  trans-44.1115.4-179.1-76.7166.8-29.600111.1Q1234Q1232-Q1234 VanDerWaalsContact C-N 3.26Å; Q1232-Q1234 PolarHBondContact O-N 2.84Å
1233T24.7Very low26.4Very low137 Ų137153.1 Ų153.184%0.8479%0.788SS**  trans-5991.5158.8-6.20000107L1231 S1235L1231-T1233 PolarHBondContact O-N 2.79Å; L1231-T1233 VanDerWaalsContact O-N 3.14Å; T1233-S1235 PolarHBondContact O-N 3.43Å
1234Q24.8Very low25.7Very low171 Ų171152.6 Ų152.680%0.79979%0.787SS**  trans-70.596.2160.7-83.4-173.6-1.900106.7Q1232 I1236Q1232-Q1234 VanDerWaalsContact C-N 3.26Å; Q1232-Q1234 PolarHBondContact O-N 2.84Å; Q1234-I1236 VanDerWaalsContact C-N 3.3Å; Q1234-I1236 PolarHBondContact O-N 3.39Å
1235S24.4Very low25.5Very low99 Ų99153 Ų15369%0.69279%0.789SS**  trans-52.692165.143.20000109.4T1233 Q1237T1233-S1235 PolarHBondContact O-N 3.43Å; S1235-Q1237 PolarHBondContact O-N 2.78Å
1236I26.3Very low25.6Very low152 Ų152152.7 Ų152.778%0.77979%0.786SS**  trans-67.894.3158.1-62.2175.6000104.7Q1234 I1238Q1234-I1236 VanDerWaalsContact C-N 3.3Å; Q1234-I1236 PolarHBondContact O-N 3.39Å; I1236-I1238 VanDerWaalsContact C-N 3.3Å; I1236-I1238 PolarHBondContact O-N 2.62Å
1237Q26.2Very low26Very low154 Ų154149.9 Ų149.972%0.7279%0.788SS**  trans-55.398.6169-72.3-178.6-13.300107.4S1235 K1239S1235-Q1237 PolarHBondContact O-N 2.78Å; Q1237-K1239 PolarHBondContact O-N 3.48Å
1238I24.2Very low25.5Very low150 Ų150147.4 Ų147.477%0.76978%0.784SS**  trans-63.688.2162.1-60.7171.4000104.7I1236 T1240I1236-I1238 VanDerWaalsContact C-N 3.3Å; I1236-I1238 PolarHBondContact O-N 2.62Å; I1238-T1240 VanDerWaalsContact C-N 3.27Å; I1238-T1240 PolarHBondContact O-N 2.74Å
1239K25.7Very low25.3Very low165 Ų165149.5 Ų149.572%0.71778%0.784SS**  trans-63.998.8165.3-88.4-177.4175.6178.90106.1Q1237 F1241Q1237-K1239 PolarHBondContact O-N 3.48Å; K1239-F1241 PolarHBondContact O-N 3.09Å
1240T23.1Very low25.2Very low116 Ų116148.2 Ų148.271%0.71279%0.786SS**  trans-46.7102.8163.522.30000109.3I1238 N1242I1238-T1240 VanDerWaalsContact C-N 3.27Å; I1238-T1240 PolarHBondContact O-N 2.74Å; T1240-N1242 VanDerWaalsContact C-N 3.26Å; T1240-N1242 PolarHBondContact O-N 2.91Å
1241F24.5Very low25Very low176 Ų176144.2 Ų144.277%0.77278%0.783SS**  trans-75.386.9165.1-92.6-87.3000108.1K1239 Y1243K1239-F1241 PolarHBondContact O-N 3.09Å; F1241-Y1243 HydrophobicContact CD1-CE2 4.27Å; F1241-Y1243 PolarHBondContact O-N 3.43Å
1242N24.6Very low25.1Very low136 Ų136141.6 Ų141.673%0.72778%0.778SS**  trans-71.9101.3159.3-76.7-17.7000107.4T1240 S1244T1240-N1242 VanDerWaalsContact C-N 3.26Å; T1240-N1242 PolarHBondContact O-N 2.91Å; N1242-S1244 VanDerWaalsContact C-N 3.32Å; N1242-S1244 PolarHBondContact O-N 3.32Å
1243Y24.5Very low24.9Very low215 Ų215143.4 Ų143.484%0.84378%0.784SS**  trans-73.891.4166.7-98.8-88.7000108.6F1241F1241-Y1243 HydrophobicContact CD1-CE2 4.27Å; F1241-Y1243 PolarHBondContact O-N 3.43Å
1244S26Very low24.9Very low100 Ų100144.9 Ų144.970%0.69978%0.783SS**  trans-85.2122.3162.650.90000109.3N1242 S1246N1242-S1244 VanDerWaalsContact C-N 3.32Å; N1242-S1244 PolarHBondContact O-N 3.32Å; S1244-S1246 PolarHBondContact O-N 3.06Å
1245E22.4Very low24.8Very low201 Ų201144 Ų14494%0.93978%0.783SS**  trans-53.8129.1167.2-66.9173.7144.300111.2
1246S27.4Very low24.9Very low107 Ų107146.9 Ų146.975%0.74879%0.789SS**  trans-154.8137.9149.952.70000110.6S1244S1244-S1246 PolarHBondContact O-N 3.06Å
1247P33.8Very low24.9Very low132 Ų132146.1 Ų146.186%0.85779%0.787SS**  trans-98.1156.5-172.838.1-32.5000111.9
1248G22.9Very low24.8Very low68 Ų68147.9 Ų147.970%0.70180%0.795SS**  trans150.6101.4161.600000115.8
1249E23.1Very low24.9Very low188 Ų188145.7 Ų145.788%0.87979%0.79SS**  trans61.4143.1130.9-65-176.615600123.1
1250S23.7Very low24.9Very low112 Ų112148 Ų14878%0.78380%0.796SS**  trans79.1101.9153.667.50000117.5
1251S22.2Very low24.9Very low115 Ų115149.8 Ų149.880%0.80480%0.796SS**  70.5103.784.1166.40000114.5
1252S26.2Very low25Very low113 Ų113149.8 Ų149.879%0.7981%0.805SS**  trans168.299.7140.333.80000108.8
1253K22.5Very low24.9Very low205 Ų205150.9 Ų150.989%0.89180%0.803SS**  4094.788.9-78.7-171.2178179.70115.5
1254M24.3Very low25Very low168 Ų168149.1 Ų149.183%0.82881%0.807SS**  trans-147100.1147.1-90.1-176.565.800105.7
1255L22.4Very low24.8Very low153 Ų153150.4 Ų150.480%0.80181%0.806SS**  50.783.273.9-101.9161.8000113.4
1256I26.7Very low25Very low159 Ų159147.2 Ų147.282%0.81580%0.796SS**  trans-132.1115.1156.4-58.4-178.1000109.7
1257N25.9Very low25Very low135 Ų135149.5 Ų149.572%0.72279%0.794SS**  trans-35.6136.8179.9-64.1-34.5000120.1
1258Q24.7Very low24.6Very low191 Ų191150.7 Ų150.789%0.89379%0.788SS**  trans-60.7153.1146.5-72.5174.1-25.500111.6
1259P26Very low24.6Very low104 Ų104153.1 Ų153.168%0.67579%0.79SS**  -145.4161.9125.634.9-17.9000115.8
1260Y25.6Very low25.1Very low215 Ų215149.7 Ų149.784%0.84378%0.783SS**  trans82.986.6170-65.1-79.8000117.3
1261Q23.1Very low25.1Very low152 Ų152150.3 Ų150.371%0.7178%0.783SS**  48.1105.681.3-72.7-158.32.700115.7
1262N26.5Very low25.4Very low177 Ų177151.6 Ų151.695%0.94779%0.786SS**  trans-145.6125.4130.2-105.1-21.8000111
1263K23.3Very low25.2Very low159 Ų159152.8 Ų152.869%0.69178%0.783SS**  trans-77.1140-175.5-70.4165.8172171.60110.8
1264L25.6Very low25.5Very low178 Ų178151 Ų15193%0.93278%0.784SS**  trans-144120.2135.6-136.794.3000109.4
1265N22.8Very low25.5Very low127 Ų127147.4 Ų147.468%0.67978%0.775SS**  trans-73.3147.9-178.2-67-35000111.8
1266N26.2Very low25.7Very low134 Ų134149.6 Ų149.672%0.71778%0.781SS**  173.2120.7103-92-23.6000113.6
1267Q27.6Very low25.7Very low155 Ų155149.2 Ų149.272%0.72478%0.781SS**  trans84.7107.4132.3-63.2-174.6-1300122.2
1268H26.4Very low25.8Very low156 Ų156150.9 Ų150.972%0.72279%0.788SS**  70.799.1126.1-73.2-65.6000120.3
1269T22.6Very low25.8Very low120 Ų120149.5 Ų149.574%0.73679%0.786SS**  72147.890.151.60000115.4
1270P33.5Very low26Very low115 Ų115149.9 Ų149.975%0.74779%0.788SS**  cis-134.11551.136.2-16.8000116
1271T23.5Very low26Very low126 Ų126149.5 Ų149.577%0.77379%0.791SS**  trans-62.9140.3154.715.50000111.5
1272T27.4Very low26Very low142 Ų142149.4 Ų149.487%0.87180%0.795SS**  trans-124.7110.3151.725.50000109
1273N23.6Very low26.1Very low137 Ų137149 Ų14973%0.73379%0.792SS**  trans-66145.3167.4-70.1-34.6000109.8
1274N27.9Very low26.1Very low169 Ų169149.8 Ų149.890%0.90480%0.797SS**  trans-147.2100.5139.2-101.3-16.4000109.8
1275S23.3Very low25.9Very low92 Ų92148.6 Ų148.664%0.64379%0.791SS**  trans-62.3134.3164.3490000111.4
1276Q28.2Very low26.1Very low198 Ų198152 Ų15293%0.92580%0.803SS**  trans-133.1110.5148-82.6-170.9-19.100110
1277N25.2Very low26Very low151 Ų151153.6 Ų153.681%0.80781%0.806SS**  trans-60.6128.7169.5-66.2-43.2000110.7
1278I28.5Very low26Very low171 Ų171152.8 Ų152.888%0.87781%0.812SS**  trans-135.1115.9147.2-58.8-177.6000108.3
1279L24.3Very low25.8Very low161 Ų161150.5 Ų150.584%0.84381%0.814SS**  trans-69.2146.6-175-16574.6000112.2
1280P30.5Very low25.9Very low112 Ų112150.3 Ų150.373%0.72781%0.813SS**  trans-83.8151.2-176.333.8-35.4000113.3
1281K27.1Very low25.4Very low208 Ų208152.4 Ų152.490%0.90482%0.815SS**  trans-107.9116.5166.8-87.8-175.7175.4179.90110.9
1282N21.9Very low25.4Very low150 Ų150153 Ų15380%0.80281%0.812SS**  trans-50.2137.3164.5-78.7-35.9000113
1283I28.4Very low25.4Very low169 Ų169154.4 Ų154.487%0.86781%0.809SS**  trans-139.7108147.4-58.5-177.1000107.9
1284Q24.3Very low25.4Very low174 Ų174157.1 Ų157.181%0.81382%0.817SS**  trans-61.8133.7166.5-68.1164.4-24.600108.8
1285L21.6Very low25.5Very low154 Ų154153 Ų15381%0.80682%0.815SS**  53.693.470.1-133.2120.8000114.2
1286E26.7Very low25.5Very low197 Ų197159.2 Ų159.292%0.92182%0.824SS**  trans-123.7131.9162.4-106.9-175.7167.700109.8
1287Q23.6Very low25.4Very low168 Ų168158.9 Ų158.979%0.78582%0.819SS**  trans-97.6147.3-177.4-66167.7-32.400110.4
1288T27.7Very low25.5Very low138 Ų138155.3 Ų155.385%0.84782%0.819SS**  trans-154.9104.4156.3380000106.5
1289S22.9Very low25.3Very low108 Ų108152.5 Ų152.576%0.75581%0.814SS**  46.713475.1-102.70000113.2
1290T23.7Very low25.3Very low117 Ų117152.7 Ų152.772%0.71881%0.813SS**  cis-178.2150.42.211.30000107.3
1291M22.5Very low25.1Very low159 Ų159154.5 Ų154.578%0.78382%0.816SS**  trans68124.8140.8-72.5-152.2130.800125.2
1292L23.3Very low25.1Very low139 Ų139151.3 Ų151.373%0.72881%0.809SS**  47.6125.1126.9-68.7171.5000121.9
1293Q27.4Very low25.4Very low171 Ų171153.5 Ų153.580%0.79981%0.811SS**  172.4121.6111.7-95179.49.900111.7
1294Q24.6Very low25.2Very low193 Ų193152.6 Ų152.690%0.90281%0.807SS**  52.2123.6115-69.6-172.7-3.400118.5
1295G29.8Very low25.2Very low83 Ų83149.6 Ų149.686%0.85680%0.801SS**  trans-177.6116.5164.200000114.4
1296R23.9Very low25.4Very low223 Ų223148.5 Ų148.584%0.84280%0.8SS**  trans-80.6155.8-171.9-92.1171.7166.8170.2-2.3115.2
1297K25.8Very low25.3Very low190 Ų190147.9 Ų147.983%0.82679%0.794SS**  trans59.2131.1137.9-70.2179.6175.6-173.10120.1
1298G27.4Very low25.4Very low77 Ų77151 Ų15179%0.79480%0.799SS**  trans155.683.9147.500000118.2
1299S24Very low25.2Very low112 Ų112152.4 Ų152.478%0.78380%0.8SS**  trans23126.8138.3-176.70000122.5
1300M23.4Very low25.4Very low164 Ų164156.3 Ų156.381%0.80880%0.804SS**  trans40.1118.4140.5-61.1-150.8178.900120.8
1301N27.3Very low25.4Very low150 Ų150160.3 Ų160.380%0.80281%0.811SS**  178.5141.9102.8-95.6-25.3000112.4
1302D26.5Very low25.6Very low141 Ų141158.9 Ų158.975%0.75481%0.811SS**  trans-49.7129.1179.9-67.2-53.1000114.7
1303K28.7Very low25.7Very low196 Ų196158.8 Ų158.885%0.85281%0.811SS**  trans-149.188.7144.2-108.8171.9-172.11790109.2T1305K1303-T1305 PolarHBondContact O-N 3.08Å; K1303-T1305 PolarHBondContact O-OG1 2.73Å
1304I23.3Very low25.7Very low151 Ų151160.4 Ų160.477%0.77482%0.815SS**  trans-51.2101.6166.2-63.5167.7000107.7V1306I1304-V1306 HydrophobicContact CG2-CG2 4.02Å
1305T25.9Very low25.8Very low111 Ų111158.1 Ų158.168%0.68181%0.809SS**  trans-103.8102167.7-42.10000106K1303 K1307K1303-T1305 PolarHBondContact O-N 3.08Å; K1303-T1305 PolarHBondContact O-OG1 2.73Å; T1305-K1307 PolarHBondContact O-N 3.02Å
1306V24.1Very low25.7Very low131 Ų131162.7 Ų162.779%0.79481%0.809SS**  trans-6385.6176.5-178.70000108.5I1304 R1308I1304-V1306 HydrophobicContact CG2-CG2 4.02Å; V1306-R1308 PolarHBondContact O-N 3.05Å; V1306-R1308 VanDerWaalsContact O-N 3.13Å
1307K26.3Very low26Very low183 Ų183159.2 Ų159.280%0.79681%0.807SS**  trans-74.7102169.6-80-176.3177.5176.50107.3T1305 L1309T1305-K1307 PolarHBondContact O-N 3.02Å; K1307-L1309 PolarHBondContact O-N 3.06Å
1308R24.6Very low25.9Very low235 Ų235157.7 Ų157.789%0.88780%0.802SS**  trans-33.5107159.9-105.5175.4168.5166.6-3.3109V1306 K1310V1306-R1308 PolarHBondContact O-N 3.05Å; V1306-R1308 VanDerWaalsContact O-N 3.13Å; R1308-K1310 PolarHBondContact O-N 3.09Å
1309L24.8Very low25.9Very low167 Ų167161.5 Ų161.587%0.87480%0.804SS**  trans-59.9102169.4-100.6133.4000107.2K1307 K1311K1307-L1309 PolarHBondContact O-N 3.06Å; L1309-K1311 PolarHBondContact O-N 2.88Å
1310K26.3Very low25.9Very low189 Ų189166.1 Ų166.182%0.82281%0.806SS**  trans-52.8121.8164.3-81.9-179.2173.9179.60106.6R1308 V1312R1308-K1310 PolarHBondContact O-N 3.09Å; K1310-V1312 PolarHBondContact O-N 3.43Å
1311K23.6Very low26Very low202 Ų202164.1 Ų164.188%0.87880%0.797SS**  trans-40.9105.5167.9-88.5175.8169.8175.90108.9L1309 N1313L1309-K1311 PolarHBondContact O-N 2.88Å; K1311-N1313 PolarHBondContact O-N 2.92Å
1312V26.2Very low25.9Very low129 Ų129168.5 Ų168.578%0.78280%0.802SS**  trans-72.1106.7165.7177.70000105K1310 K1314K1310-V1312 PolarHBondContact O-N 3.43Å; V1312-K1314 PolarHBondContact O-N 2.71Å
1313N26.1Very low25.9Very low136 Ų136169.9 Ų169.973%0.72780%0.804SS**  trans-52121.9168.7-91-20.9000107.7K1311 N1315K1311-N1313 PolarHBondContact O-N 2.92Å; N1313-N1315 VanDerWaalsContact C-N 3.34Å; N1313-N1315 PolarHBondContact O-N 3.18Å
1314K27.3Very low25.7Very low205 Ų205163 Ų16389%0.89179%0.789SS**  trans-58.997.3171.8-76.6179.5172.9-178.30107.8V1312 Q1316V1312-K1314 PolarHBondContact O-N 2.71Å; K1314-Q1316 PolarHBondContact O-N 3.16Å
1315N27.6Very low26Very low145 Ų145161.7 Ų161.778%0.77579%0.79SS**  trans-61.7122.5163.3-83.9-10.4000107.4N1313 N1317N1313-N1315 VanDerWaalsContact C-N 3.34Å; N1313-N1315 PolarHBondContact O-N 3.18Å; N1315-N1317 VanDerWaalsContact C-N 3.29Å; N1315-N1317 PolarHBondContact O-N 2.94Å
1316Q27.6Very low26Very low180 Ų180163.5 Ų163.584%0.84179%0.794SS**  trans-62.887.1173.8-66.9165.6-49.600108.7K1314 E1318K1314-Q1316 PolarHBondContact O-N 3.16Å; Q1316-E1318 PolarHBondContact O-N 3.07Å
1317N28.5Very low26.1Very low149 Ų149164 Ų16480%0.79779%0.792SS**  trans-83.683.1156.7-77-1000106.4N1315 L1319N1315-N1317 VanDerWaalsContact C-N 3.29Å; N1315-N1317 PolarHBondContact O-N 2.94Å; N1317-L1319 VanDerWaalsContact C-N 3.31Å; N1317-L1319 PolarHBondContact O-N 3.39Å
1318E25.5Very low26Very low158 Ų158166 Ų16674%0.73880%0.795SS**  trans-56.3102.6156.9-79.3-178.915900106.8Q1316 Y1320Q1316-E1318 PolarHBondContact O-N 3.07Å; E1318-Y1320 VanDerWaalsContact C-N 3.31Å; E1318-Y1320 PolarHBondContact O-N 2.97Å
1319L25.4Very low26.1Very low157 Ų157162.8 Ų162.882%0.82279%0.787SS**  trans-56.7100.5162.6-97.1142.4000106.8N1317 I1321N1317-L1319 VanDerWaalsContact C-N 3.31Å; N1317-L1319 PolarHBondContact O-N 3.39Å; L1319-I1321 VanDerWaalsContact C-N 3.27Å; L1319-I1321 PolarHBondContact O-N 3.08Å
1320Y25.3Very low26Very low209 Ų209162.2 Ų162.282%0.8278%0.784SS**  trans-60.292.6166.5-107.2-99.1000107.8E1318 R1322E1318-Y1320 VanDerWaalsContact C-N 3.31Å; E1318-Y1320 PolarHBondContact O-N 2.97Å; Y1320-R1322 VanDerWaalsContact C-N 3.34Å; Y1320-R1322 PolarHBondContact O-N 3.08Å
1321I25.4Very low25.9Very low123 Ų123159.7 Ų159.763%0.63178%0.777SS**  trans-72.197.6167.8-61.1174.5000105.8L1319 H1323L1319-I1321 VanDerWaalsContact C-N 3.27Å; L1319-I1321 PolarHBondContact O-N 3.08Å; I1321-H1323 PolarHBondContact O-N 3.16Å
1322R24.7Very low25.9Very low242 Ų242155 Ų15591%0.91377%0.77SS**  trans-64.298.7169.6-143.9-178.5-165.9-168.53106.6Y1320 G1324Y1320-R1322 VanDerWaalsContact C-N 3.34Å; Y1320-R1322 PolarHBondContact O-N 3.08Å; R1322-G1324 VanDerWaalsContact C-N 3.3Å; R1322-G1324 PolarHBondContact O-N 3.23Å
1323H26.2Very low25.8Very low169 Ų169154.6 Ų154.678%0.78277%0.768SS**  trans-67.592171.2-71.7-68.9000108.3I1321I1321-H1323 PolarHBondContact O-N 3.16Å
1324G25.7Very low25.7Very low52 Ų52153.5 Ų153.554%0.53677%0.77SS.*  trans-58.7142.5164.800000109.4R1322 I1326R1322-G1324 VanDerWaalsContact C-N 3.3Å; R1322-G1324 PolarHBondContact O-N 3.23Å; G1324-I1326 PolarHBondContact O-N 3.01Å; G1324-I1326 VanDerWaalsContact O-N 3.11Å
1325P28.7Very low25.6Very low124 Ų124147.4 Ų147.481%0.80577%0.765SS**  trans-60119.3-179.124.3-31.4000109.1N1327P1325-N1327 VanDerWaalsContact C-N 3.33Å; P1325-N1327 PolarHBondContact O-N 3.11Å
1326I26.4Very low25.6Very low148 Ų148147.4 Ų147.476%0.75977%0.765SS**  trans-64.798.5172.5-61.1167.7000105.8G1324 R1328G1324-I1326 PolarHBondContact O-N 3.01Å; G1324-I1326 VanDerWaalsContact O-N 3.11Å; I1326-R1328 HydrophobicContact CG2-CG 4.32Å; I1326-R1328 PolarHBondContact O-N 3.3Å
1327N26.9Very low25.4Very low142 Ų142144.7 Ų144.776%0.75976%0.756SS**  trans-55.693.6159.9-90.8-24.5000106.7P1325 K1329P1325-N1327 VanDerWaalsContact C-N 3.33Å; P1325-N1327 PolarHBondContact O-N 3.11Å; N1327-K1329 PolarHBondContact O-N 3.29Å
1328R24Very low25.2Very low225 Ų225142.4 Ų142.485%0.84974%0.742SS**  trans-66.771.9164.2-80.7-176.5174.7171.1-1.7107.2I1326 I1330I1326-R1328 HydrophobicContact CG2-CG 4.32Å; I1326-R1328 PolarHBondContact O-N 3.3Å; R1328-I1330 PolarHBondContact O-N 3.07Å; R1328-I1330 VanDerWaalsContact O-N 3.12Å
1329K25.2Very low25.1Very low168 Ų168141.6 Ų141.673%0.7374%0.74SS**  trans-62.5109.8153.6-85.1-176.1174.9179.10104.9N1327 I1331N1327-K1329 PolarHBondContact O-N 3.29Å; K1329-I1331 VanDerWaalsContact C-N 3.29Å; K1329-I1331 PolarHBondContact O-N 3.44Å
1330I23.7Very low25.1Very low155 Ų155139.1 Ų139.180%0.79573%0.728SS**  trans-63.696.7170.6-63.5168.1000105.4R1328 S1332R1328-I1330 PolarHBondContact O-N 3.07Å; R1328-I1330 VanDerWaalsContact O-N 3.12Å; I1330-S1332 PolarHBondContact O-N 3.02Å
1331I24Very low25.1Very low135 Ų135133.9 Ų133.969%0.69271%0.713SS**  trans-80.997.9171.1-56.2174.6000105.3K1329 T1333K1329-I1331 VanDerWaalsContact C-N 3.29Å; K1329-I1331 PolarHBondContact O-N 3.44Å; I1331-T1333 VanDerWaalsContact C-N 3.33Å; I1331-T1333 HydrophobicContact CG2-CG2 3.65Å; I1331-T1333 PolarHBondContact O-N 3.09Å; I1331-T1333 VanDerWaalsContact O-N 3.08Å
1332S23.7Very low25Very low104 Ų104131 Ų13173%0.72770%0.697SS**  trans-70.393.6163.259.70000107.6I1330 C1334I1330-S1332 PolarHBondContact O-N 3.02Å; S1332-C1334 VanDerWaalsContact C-N 3.32Å; S1332-C1334 PolarHBondContact O-N 3.13Å; S1332-C1334 VanDerWaalsContact O-N 3.09Å
1333T24.5Very low25Very low121 Ų121127.6 Ų127.674%0.74270%0.696SS**  trans-77.984.5170.351.60000108.8I1331 G1335I1331-T1333 VanDerWaalsContact C-N 3.33Å; I1331-T1333 HydrophobicContact CG2-CG2 3.65Å; I1331-T1333 PolarHBondContact O-N 3.09Å; I1331-T1333 VanDerWaalsContact O-N 3.08Å; T1333-G1335 PolarHBondContact O-N 3.08Å
1334C23.9Very low24.9Very low113 Ų113124.9 Ų124.976%0.76468%0.683SS**  trans-77.3108.6150.9-75.90000105.6S1332 D1336S1332-C1334 VanDerWaalsContact C-N 3.32Å; S1332-C1334 PolarHBondContact O-N 3.13Å; S1332-C1334 VanDerWaalsContact O-N 3.09Å; C1334-D1336 PolarHBondContact O-N 2.87Å; C1334-D1336 VanDerWaalsContact O-N 3.1Å
1335G25.5Very low24.8Very low76 Ų76130.2 Ų130.278%0.78470%0.7SS**  trans-77.689.3-174.300000111.7T1333T1333-G1335 PolarHBondContact O-N 3.08Å
1336D26.1Very low24.7Very low145 Ų145127.8 Ų127.878%0.77569%0.69SS**  trans-81118157.6-65-35.3000108C1334C1334-D1336 PolarHBondContact O-N 2.87Å; C1334-D1336 VanDerWaalsContact O-N 3.1Å
1337L24.8Very low24.6Very low124 Ų124128.7 Ų128.765%0.64970%0.696SS**  trans164.889.1152.5-91.9150000111M1339L1337-M1339 HydrophobicContact CD2-CE 4.2Å
1338I24.6Very low24.5Very low101 Ų101127 Ų12752%0.51869%0.694SS.*  trans-121.298.2153.3-57.6177.7000106.2I73I73-I1338 HydrophobicContact CD1-CD1 4.4Å
1339M22.3Very low24.7Very low141 Ų141125.5 Ų125.570%0.69569%0.694SS**  trans-97111.5163.4-77.1-170.5-58.600107.4L1337L1337-M1339 HydrophobicContact CD2-CE 4.2Å
1340N26.8Very low24.8Very low104 Ų104126.3 Ų126.356%0.55670%0.698SS**  trans-86.6150.9172.6-83.6-21.1000110.7
1341I25.3Very low24.9Very low100 Ų100127.4 Ų127.451%0.51370%0.699SS.*  trans-104.8117.6-162.8-68.5172000109.3S165 L1343S165-I1341 WeakPolarHBondContact OG-CD1 3.28Å; I1341-L1343 PolarHBondContact O-N 3.27Å
1342E22.8Very low25.1Very low63 Ų63125.2 Ų125.229%0.29470%0.696SS.*  trans-68.1113.6174.5-70.2166.7-167.700110.5E58 M62 H1344E58-E1342 VanDerWaalsContact CD-CD 3.48Å; E58-E1342 WeakPolarHBondContact CG-OE1 3.43Å; M62-E1342 WeakPolarHBondContact CE-OE1 3.2Å; E1342-H1344 PolarHBondContact O-N 2.91Å; E1342-H1344 IonicContact OE2-CD2 3.66Å; E1342-H1344 PolarHBondContact OE2-CD2 3.28Å; E1342-H1344 IonicContact OE2-CE1 2.77Å; E1342-H1344 IonicContact OE2-NE2 3.04Å; E1342-H1344 PolarHBondContact OE2-NE2 2.77Å
1343L23.8Very low25.1Very low170 Ų170127.7 Ų127.789%0.8970%0.699SS**  trans-82.287.3157.8-103.1140.6000107.5I1341 N1345I1341-L1343 PolarHBondContact O-N 3.27Å; L1343-N1345 PolarHBondContact O-N 3.3Å; L1343-N1345 VanDerWaalsContact O-N 3.1Å
1344H24.3Very low25.1Very low112 Ų112132.4 Ų132.452%0.51970%0.703SS.*  trans-63.8111.1168.1-83.2-71.7000108.8E58 E1342 A1346E58-H1344 IonicContact OE2-CE1 3.07Å; E58-H1344 PolarHBondContact OE2-CE1 2.92Å; E58-H1344 VanDerWaalsContact OE2-CE1 3.28Å; E58-H1344 IonicContact OE2-NE2 2.71Å; E1342-H1344 PolarHBondContact O-N 2.91Å; E1342-H1344 IonicContact OE2-CD2 3.66Å; E1342-H1344 PolarHBondContact OE2-CD2 3.28Å; E1342-H1344 IonicContact OE2-CE1 2.77Å; E1342-H1344 IonicContact OE2-NE2 3.04Å; E1342-H1344 PolarHBondContact OE2-NE2 2.77Å; H1344-A1346 PolarHBondContact O-N 3.16Å
1345N23.7Very low25.3Very low164 Ų164133.4 Ų133.488%0.87770%0.701SS**  trans-75.553.9171.7-133.35.6000108.3L1343 N1347L1343-N1345 PolarHBondContact O-N 3.3Å; L1343-N1345 VanDerWaalsContact O-N 3.1Å; N1345-N1347 PolarHBondContact O-N 3.18Å
1346A25.7Very low25.2Very low73 Ų73138.6 Ų138.660%0.60370%0.702SS**  trans-63.2123.9169.900000106.2H1344 C1348H1344-A1346 PolarHBondContact O-N 3.16Å; A1346-C1348 PolarHBondContact O-N 3.1Å
1347N25.8Very low25.2Very low166 Ų166138.6 Ų138.689%0.88870%0.702SS**  trans-43.277.8179.1-78.9-46.2000112.7N1345 K1349N1345-N1347 PolarHBondContact O-N 3.18Å; N1347-K1349 VanDerWaalsContact C-N 3.27Å; N1347-K1349 PolarHBondContact O-N 2.54Å
1348C24.6Very low25.2Very low106 Ų106143 Ų14372%0.71671%0.712SS**  trans-72.792.8170.7-90.60000105.4A1346 K1350A1346-C1348 PolarHBondContact O-N 3.1Å; C1348-K1350 PolarHBondContact O-N 3.38Å
1349K27.5Very low25.1Very low195 Ų195145.1 Ų145.185%0.84872%0.724SS**  trans-51.886.8150.5-77.7-179.8177.4174.60106.5N1347 H1351N1347-K1349 VanDerWaalsContact C-N 3.27Å; N1347-K1349 PolarHBondContact O-N 2.54Å; K1349-H1351 VanDerWaalsContact C-N 3.34Å; K1349-H1351 PolarHBondContact O-N 3.47Å
1350K28Very low25.3Very low185 Ų185144 Ų14480%0.80473%0.727SS**  trans-61.198.5177.1-84.4-179.6175.7173.70107.1C1348 S1352C1348-K1350 PolarHBondContact O-N 3.38Å; K1350-S1352 PolarHBondContact O-N 3.21Å
1351H25.6Very low25.2Very low178 Ų178146.6 Ų146.682%0.82474%0.739SS**  trans-56.798.9150.6-80.2-73.4000106.2K1349 I1353K1349-H1351 VanDerWaalsContact C-N 3.34Å; K1349-H1351 PolarHBondContact O-N 3.47Å; H1351-I1353 PolarHBondContact O-N 3.08Å
1352S27.2Very low25.1Very low89 Ų89146.3 Ų146.362%0.62275%0.746SS**  trans-55.3117176.267.60000108.2K1350 R1354K1350-S1352 PolarHBondContact O-N 3.21Å; S1352-R1354 VanDerWaalsContact C-N 3.3Å; S1352-R1354 PolarHBondContact O-N 3.21Å
1353I23.6Very low25.2Very low156 Ų156150.8 Ų150.880%0.877%0.767SS**  trans-48.595.7164.2-63.7159.7000107H1351H1351-I1353 PolarHBondContact O-N 3.08Å
1354R25.5Very low25.2Very low219 Ų219152.5 Ų152.583%0.82676%0.761SS**  trans-94103.9168.7-97.1-173.1178.5178.71.7107.2S1352S1352-R1354 VanDerWaalsContact C-N 3.3Å; S1352-R1354 PolarHBondContact O-N 3.21Å
1355D27.8Very low25.1Very low135 Ų135154.9 Ų154.972%0.72278%0.777SS**  trans44.391.8145-58.3-28.4000117N1357D1355-N1357 PolarHBondContact O-N 3.15Å
1356F24Very low25Very low185 Ų185157.3 Ų157.381%0.81178%0.775SS**  trans-43.5106.3143.7-79.6-95.8000110.2
1357N25.1Very low25Very low145 Ų145161.2 Ų161.278%0.77579%0.786SS**  trans-128.196.4151.3-86.3-41.8000107.8D1355 L1359D1355-N1357 PolarHBondContact O-N 3.15Å; N1357-L1359 PolarHBondContact O-N 3.06Å
1358Y24.7Very low24.7Very low215 Ų215164 Ų16484%0.84379%0.786SS**  trans1.5109.9151.5-79.3-95.4000114.9P1360Y1358-P1360 VanDerWaalsContact O-CD 3.28Å; Y1358-P1360 WeakPolarHBondContact O-CD 3.46Å
1359L24Very low24.6Very low147 Ų147167.1 Ų167.177%0.7779%0.787SS**  trans-61.4117.7159.5-82.497.1000108.7N1357 I1361N1357-L1359 PolarHBondContact O-N 3.06Å; L1359-I1361 HydrophobicContact CB-CG1 4.19Å; L1359-I1361 PolarHBondContact O-N 3.24Å
1360P26.3Very low24.4Very low117 Ų117167.5 Ų167.576%0.7678%0.783SS**  trans-79.697.7160.120.8-5.3000106.7Y1358 S1362Y1358-P1360 VanDerWaalsContact O-CD 3.28Å; Y1358-P1360 WeakPolarHBondContact O-CD 3.46Å; P1360-S1362 PolarHBondContact O-N 3.36Å; P1360-S1362 VanDerWaalsContact O-N 3.13Å
1361I23.4Very low24.2Very low158 Ų158164.4 Ų164.481%0.8178%0.775SS**  trans-76.393169-58.2170.8000106.3L1359L1359-I1361 HydrophobicContact CB-CG1 4.19Å; L1359-I1361 PolarHBondContact O-N 3.24Å
1362S24.2Very low24Very low94 Ų94160 Ų16066%0.65776%0.764SS**  trans-144.493.116449.80000109.6P1360P1360-S1362 PolarHBondContact O-N 3.36Å; P1360-S1362 VanDerWaalsContact O-N 3.13Å
1363E23.5Very low23.9Very low157 Ų157163.8 Ų163.873%0.73478%0.777SS**  trans68.7130.5135.1-75.6-167.9137.100121.7
1364R24.3Very low24Very low207 Ų207163.9 Ų163.978%0.78178%0.778SS**  trans86.796.3152-68.2167.3-167.8-166.33.5115.5
1365L22.4Very low24.8Very low162 Ų162158.2 Ų158.285%0.84877%0.769SS**  35.299.880.8-80.8162.1000111.5
1366Y22.4Very low24.5Very low214 Ų214156.7 Ų156.784%0.83977%0.77SS**  trans165.5102.7135.1-98.5-76.8000107.9
1367N25.3Very low24.6Very low155 Ų155153.3 Ų153.383%0.82977%0.769SS**  164.5104122-81.9-24.6000110.5
1368Y19.4Very low24.5Very low224 Ų224151.2 Ų151.288%0.87877%0.766SS**  trans-51.6148.1158-92.1-96.7000112.2
1369K21.5Very low24.7Very low172 Ų172149.2 Ų149.275%0.74877%0.769SS**  trans104.5140.7131.7-137.1174.1-176.1175.90118.1
1370W24.2Very low24.7Very low203 Ų203147.5 Ų147.577%0.76977%0.769SS**  trans94.992.8169-67.478.6000115.4
1371L23.1Very low24.7Very low121 Ų121153.3 Ų153.363%0.63478%0.776SS**  8096.287.9-83.4151000110
1372S22.5Very low24.7Very low84 Ų84151.2 Ų151.259%0.58778%0.775SS**  62.3111.796.271.20000113
1373L24.9Very low24.8Very low170 Ų170152.1 Ų152.189%0.8978%0.782SS**  trans171.499.1140.2-91.2149.4000108.5
1374L26.1Very low24.7Very low158 Ų158150.4 Ų150.483%0.82779%0.787SS**  -3164.5125.2-80.8154.7000116.7
1375P41.1Very low24.8Very low99 Ų99145.6 Ų145.664%0.64379%0.785SS**  cis-147.4-172.1-10.739-17.7000114.6
1376S22.5Very low24.8Very low104 Ų104142.7 Ų142.773%0.72778%0.778SS**  trans61.4115.7141.2-57.40000119.7
1377S24.7Very low24.9Very low113 Ų113142.5 Ų142.579%0.7978%0.778SS**  166.1131.191.345.90000111.8
1378S23.8Very low25Very low102 Ų102142.2 Ų142.271%0.71378%0.776SS**  trans-24.7134.7157.750.80000116.1
1379L29.4Very low25.4Very low173 Ų173140 Ų14091%0.90677%0.773SS**  trans-146.998.1140.2-132.582.1000110.4
1380S23.6Very low25.8Very low111 Ų111141 Ų14178%0.77677%0.774SS**  trans-60.2132.2158.447.90000110.8
1381R26.1Very low26.1Very low238 Ų238136.9 Ų136.990%0.89877%0.767SS**  trans-154.8107.8145.9-134.7172.3-179.3-173.8-0.9112
1382S22.8Very low26.5Very low114 Ų114139.2 Ų139.280%0.79778%0.78SS**  trans-50.4135.3156.746.20000112.7
1383S26.9Very low26.8Very low114 Ų114140 Ų14080%0.79778%0.777SS**  trans-154.8110.4150.854.20000109.9
1384S22.3Very low27.1Very low121 Ų121134.4 Ų134.485%0.84675%0.751SS**  trans-59.3135.3165.450.60000113.1
1385S25.6Very low27.9Very low106 Ų106137 Ų13774%0.74176%0.756SS**  trans-16394147.662.90000107
1386S23.6Very low27.8Very low101 Ų101141 Ų14171%0.70677%0.766SS**  60.5106.699.369.30000113.5
1387Y23.7Very low28.9Very low210 Ų210139.6 Ų139.682%0.82476%0.756SS**  trans47.8107.6140.3-78.1-93.4000118.1
1388D28.2Very low29.1Very low148 Ų148144.8 Ų144.879%0.79176%0.758SS**  trans-145.7108.7131.9-95.6-31.3000108.6Y1390D1388-Y1390 HydrophobicContact CB-CD2 4.33Å; D1388-Y1390 PolarHBondContact O-N 2.86Å
1389E27.7Very low29.1Very low177 Ų177146 Ų14683%0.82776%0.756SS**  trans-54.9112.2165-75173.3125.300109.4
1390Y29.2Very low29.1Very low193 Ų193144.7 Ų144.776%0.75774%0.743SS**  trans-133.6100.7162.1-90.5-80.8000110.4D1388D1388-Y1390 HydrophobicContact CB-CD2 4.33Å; D1388-Y1390 PolarHBondContact O-N 2.86Å
1391D31.3Very low29.2Very low118 Ų118149.5 Ų149.563%0.63175%0.745SS**  trans44.4100.6143.6-74.5-22.3000116.7L1393D1391-L1393 PolarHBondContact O-N 3.25Å
1392D31Very low29.1Very low169 Ų169147.5 Ų147.590%0.90474%0.739SS**  trans-51.378.6164.7-73.5-40.2000112.6
1393L27.9Very low29.3Very low102 Ų102151.7 Ų151.753%0.53474%0.743SS.*  trans-88.6106.5164.1-80.4156.1000107.3D1391 K1395D1391-L1393 PolarHBondContact O-N 3.25Å; L1393-K1395 PolarHBondContact O-N 3.17Å
1394C32.4Very low29.2Very low51 Ų51150.9 Ų150.935%0.34574%0.744SS.*  trans-55.3107.5162.7175.80000108.2Q1396 C1397 R1398C1394-Q1396 PolarHBondContact O-N 2.97Å; C1394-C1397 PolarHBondContact O-N 3.21Å; C1394-C1397 VanDerWaalsContact O-N 3.1Å; C1394-R1398 PolarHBondContact O-N 3.4Å; C1394-R1398 VanDerWaalsContact O-N 3.15Å
1395K42.1Very low29.3Very low214 Ų214154.1 Ų154.193%0.9374%0.743SS**THydrogen-bonded Turntrans-54.9-17.2-179.5-83.3-178.8178.3171.50112.8L1393L1393-K1395 PolarHBondContact O-N 3.17Å
1396Q40.1Very low29.2Very low181 Ų181157.7 Ų157.785%0.84675%0.747SS**THydrogen-bonded Turntrans-92-24.3-176.8-141.21540.900113.9C1394C1394-Q1396 PolarHBondContact O-N 2.97Å
1397C44.1Very low29.1Very low76 Ų76160.6 Ų160.651%0.51475%0.752SS.*THydrogen-bonded Turntrans-127.3-14.7-172.3-29.40000115.6C1394 L1399C1394-C1397 PolarHBondContact O-N 3.21Å; C1394-C1397 VanDerWaalsContact O-N 3.1Å; C1397-L1399 PolarHBondContact O-N 3.05Å
1398R29.5Very low29.1Very low221 Ų221158 Ų15883%0.83475%0.752SS**  trans46.524.8-176.7-78-171.5167.4-176.5-3.5115C1394C1394-R1398 PolarHBondContact O-N 3.4Å; C1394-R1398 VanDerWaalsContact O-N 3.15Å
1399L24.6Very low28.7Very low128 Ų128159 Ų15967%0.6775%0.754SS**PPolyproline II helixtrans-101.8120.7177.5-79.2160.9000108.8C1397 Y1401C1397-L1399 PolarHBondContact O-N 3.05Å; L1399-Y1401 PolarHBondContact O-N 3.42Å
1400K28.2Very low28.5Very low146 Ų146159.1 Ų159.164%0.63576%0.755SS**PPolyproline II helixtrans-70120.1175.4-84.5-172.8170.1-168.90109.6Y1402K1400-Y1402 HydrophobicContact CB-CE2 4.41Å; K1400-Y1402 PolarHBondContact O-N 2.85Å
1401Y26.4Very low28.2Very low211 Ų211157.9 Ų157.983%0.82776%0.758SS**PPolyproline II helixtrans-71.5117.4169.7-76.8-84000109.8L1399L1399-Y1401 PolarHBondContact O-N 3.42Å
1402Y23.9Very low27.8Very low197 Ų197158.9 Ų158.977%0.77376%0.762SS**PPolyproline II helixtrans-93.3116.3167-81.5-87.1000108.5K1400K1400-Y1402 HydrophobicContact CB-CE2 4.41Å; K1400-Y1402 PolarHBondContact O-N 2.85Å
1403K27.4Very low27.6Very low201 Ų201155.4 Ų155.487%0.87475%0.748SS**PPolyproline II helixtrans-59.7135.5171.4-108.6177.8176.4175.60109.8F1405K1403-F1405 PolarHBondContact O-N 3.15Å
1404A24.7Very low27.5Very low98 Ų98158.1 Ų158.181%0.8176%0.764SS**PPolyproline II helixtrans-60.4126.9-17100000112.9H1406A1404-H1406 PolarHBondContact O-N 3.03Å
1405F24Very low27.2Very low188 Ų188164.2 Ų164.283%0.82579%0.787SS**  trans-74.3114.1174-89.2-94.7000110.2K1403 M1407K1403-F1405 PolarHBondContact O-N 3.15Å; F1405-M1407 PolarHBondContact O-N 3.47Å
1406H23.7Very low26.4Very low181 Ų181157.2 Ų157.284%0.83878%0.775SS**  trans-74.2110.8165.1-105.4-86.1000109.3A1404A1404-H1406 PolarHBondContact O-N 3.03Å
1407M21.5Very low25.8Very low163 Ų163159 Ų15980%0.80378%0.775SS**  trans-92.4112.4168.4-84.1-171.1165.500109.3F1405 M1409F1405-M1407 PolarHBondContact O-N 3.47Å; M1407-M1409 PolarHBondContact O-N 3.38Å
1408N23.3Very low25Very low156 Ų156162.6 Ų162.683%0.83479%0.79SS**  trans-84.2107.4165.3-77.4-13.2000108.5E1410N1408-E1410 PolarHBondContact O-N 2.79Å
1409M20.8Very low24.9Very low168 Ų168158.9 Ų158.983%0.82879%0.786SS**  trans-81.6106.4168.3-75.2-164.9-169.100108.8M1407M1407-M1409 PolarHBondContact O-N 3.38Å
1410E22.1Very low25.1Very low179 Ų179159.7 Ų159.784%0.83679%0.791SS**  trans-92.2105.5166.9-155.5170.1-157.900108N1408 I1412N1408-E1410 PolarHBondContact O-N 2.79Å; E1410-I1412 PolarHBondContact O-N 2.8Å; E1410-I1412 VanDerWaalsContact O-N 3.16Å
1411M22.6Very low25.1Very low167 Ų167160.4 Ų160.482%0.82380%0.802SS**  trans-70.9103.5172.8-77.3-159.6168.700108.5P1413M1411-P1413 WeakPolarHBondContact O-CD 3.44Å
1412I24.2Very low25Very low140 Ų140158.2 Ų158.272%0.71881%0.805SS**  trans-78.9108.1167.2-57.9174.2000106.8E1410 N1414E1410-I1412 PolarHBondContact O-N 2.8Å; E1410-I1412 VanDerWaalsContact O-N 3.16Å; I1412-N1414 PolarHBondContact O-N 2.73Å
1413P25.6Very low25.3Very low95 Ų95157.7 Ų157.762%0.61781%0.806SS**  trans-72.2115.7176.6-4.223000107M1411 H1415M1411-P1413 WeakPolarHBondContact O-CD 3.44Å; P1413-H1415 PolarHBondContact O-N 3.31Å
1414N26Very low25Very low160 Ų160153.8 Ų153.886%0.85680%0.804SS**  trans-63.2101.7172.9-98-18.6000108.9I1412 G1416I1412-N1414 PolarHBondContact O-N 2.73Å; N1414-G1416 PolarHBondContact O-N 2.84Å
1415H26.6Very low25.1Very low179 Ų179155.7 Ų155.783%0.82980%0.801SS**  trans-64.980.9169.6-80.6-73.1000110P1413P1413-H1415 PolarHBondContact O-N 3.31Å
1416G26Very low25.1Very low66 Ų66157.9 Ų157.968%0.6880%0.804SS**  trans-91.991.9166.700000110.2N1414N1414-G1416 PolarHBondContact O-N 2.84Å
1417Y26.3Very low25.1Very low219 Ų219157 Ų15786%0.85980%0.804SS**  trans28.1104.4148.9-81.6-97.3000117.9
1418N27.8Very low25.2Very low152 Ų152154.4 Ų154.481%0.81380%0.798SS**  -169.9116.9127.1-105.5-24.9000112.7
1419N27.9Very low25.2Very low143 Ų143157.6 Ų157.677%0.76580%0.8SS**  trans29.8112.2150.6-80.1-19.1000120.5
1420N27.9Very low25.5Very low145 Ų145157.7 Ų157.778%0.77580%0.798SS**  trans23.6101.6134.3-68.6-12.9000117.1
1421N29.4Very low25.6Very low161 Ų161160 Ų16086%0.86180%0.799SS**  -177.199.9118.6-90.6-25.5000110.5K1423N1421-K1423 PolarHBondContact O-N 2.9Å
1422N24.4Very low25.7Very low165 Ų165156.5 Ų156.588%0.88279%0.791SS**  trans-57.8116.5160.5-81.4-28.4000109.5
1423K28.4Very low25.7Very low186 Ų186157.6 Ų157.681%0.80979%0.792SS**  trans-160.5101.8144.4-106.7165-169.1-176.50110.1N1421 N1425N1421-K1423 PolarHBondContact O-N 2.9Å; K1423-N1425 PolarHBondContact O-N 3.2Å; K1423-N1425 VanDerWaalsContact O-N 3.11Å
1424S22.5Very low25.8Very low119 Ų119161 Ų16183%0.83280%0.8SS**  trans-53.3104.6161.2173.10000109.3
1425N26.9Very low25.7Very low138 Ų138162.1 Ų162.174%0.73880%0.8SS**  trans-114.797.9168.2-90.9-6000108.9K1423 L1427K1423-N1425 PolarHBondContact O-N 3.2Å; K1423-N1425 VanDerWaalsContact O-N 3.11Å; N1425-L1427 PolarHBondContact O-N 2.92Å
1426R23.5Very low25.8Very low234 Ų234162.2 Ų162.288%0.88380%0.8SS**  trans-47.3101.7164.4-145.2177.1-172.5-176.71.1108.7T1428R1426-T1428 PolarHBondContact O-N 2.78Å
1427L24.4Very low25.7Very low161 Ų161167.7 Ų167.784%0.84381%0.807SS**  trans-77.588.5176.4-99.3141000109.1N1425 Y1429N1425-L1427 PolarHBondContact O-N 2.92Å; L1427-Y1429 PolarHBondContact O-N 3.41Å
1428T23.8Very low25.6Very low110 Ų110165 Ų16568%0.67580%0.802SS**  trans-73116.3166.7-34.70000108R1426 H1430R1426-T1428 PolarHBondContact O-N 2.78Å; T1428-H1430 PolarHBondContact O-N 3.16Å
1429Y23Very low25.5Very low223 Ų223164.9 Ų164.988%0.87580%0.802SS**  trans-64.695.3-179.5-82.9-96.8000111.3L1427L1427-Y1429 PolarHBondContact O-N 3.41Å
1430H26.6Very low25.4Very low170 Ų170164.1 Ų164.179%0.78780%0.803SS**  trans-86.9105159-86.9-68.4000109.1T1428 S1432T1428-H1430 PolarHBondContact O-N 3.16Å; H1430-S1432 PolarHBondContact O-N 3.43Å
1431R23.2Very low25.3Very low227 Ų227163.3 Ų163.386%0.85780%0.797SS**  trans-72.675.9173.2-160.6-179.6-160.1175.14.1108.9
1432S26.2Very low25.1Very low94 Ų94164 Ų16466%0.65779%0.792SS**  trans-87.3109.6168.145.80000109.2H1430 H1434H1430-S1432 PolarHBondContact O-N 3.43Å; S1432-H1434 PolarHBondContact O-N 3.03Å
1433H23.9Very low25.2Very low162 Ų162164.3 Ų164.375%0.7579%0.786SS**  trans-62.899.4169.4-77.5-86.1000109.8
1434H27.7Very low24.9Very low166 Ų166163.9 Ų163.977%0.76979%0.787SS**  trans-112.7106.8159.7-91.7-41.6000110S1432 H1436S1432-H1434 PolarHBondContact O-N 3.03Å; H1434-H1436 PolarHBondContact O-N 3.23Å
1435H23.3Very low25Very low185 Ų185168.6 Ų168.686%0.85679%0.786SS**  trans-57.5114.7159.5-78.1-22.3000109.3
1436H29.1Very low24.8Very low181 Ų181166.6 Ų166.684%0.83878%0.783SS**  trans-131.7123154.9-92.8-54.6000110.3H1434H1434-H1436 PolarHBondContact O-N 3.23Å
1437H24.5Very low24.8Very low180 Ų180162.5 Ų162.583%0.83378%0.777SS**  trans-46.1138.5175.3-94.7-73.4000113.4N1439H1437-N1439 PolarHBondContact O-N 2.94Å
1438H23.7Very low24.9Very low162 Ų162161.4 Ų161.475%0.7577%0.77SS**  trans-3.7102.4150.4-74.3-78.4000115.8
1439N25.8Very low24.8Very low151 Ų151165.6 Ų165.681%0.80778%0.779SS**  trans-130.8102.4143-97.9-25000108.2H1437 I1441H1437-N1439 PolarHBondContact O-N 2.94Å; N1439-I1441 PolarHBondContact O-N 2.96Å
1440T24.6Very low24.8Very low127 Ų127165.7 Ų165.778%0.77978%0.778SS**  trans-67.874.1179.6-21.20000109.4K1442T1440-K1442 PolarHBondContact O-N 3Å; T1440-K1442 VanDerWaalsContact O-N 3.1Å
1441I27.1Very low24.8Very low127 Ų127163.2 Ų163.265%0.65178%0.78SS**  trans-76.299.8171.4-62.2176.9000107.4N1439 F1443N1439-I1441 PolarHBondContact O-N 2.96Å; I1441-F1443 HydrophobicContact CG2-CD2 4.34Å; I1441-F1443 HydrophobicContact CG2-CE2 4.12Å; I1441-F1443 PolarHBondContact O-N 3.31Å
1442K24.5Very low24.8Very low175 Ų175161 Ų16176%0.76178%0.784SS**  trans-56.696.6172.1-73.1176.4176.5174.10110.3T1440 H1444T1440-K1442 PolarHBondContact O-N 3Å; T1440-K1442 VanDerWaalsContact O-N 3.1Å; K1442-H1444 PolarHBondContact O-N 2.92Å; K1442-H1444 VanDerWaalsContact O-N 3.08Å
1443F26Very low24.9Very low173 Ų173160.6 Ų160.676%0.75978%0.781SS**  trans-76.292.5165-86.6-81.3000110I1441 R1445I1441-F1443 HydrophobicContact CG2-CD2 4.34Å; I1441-F1443 HydrophobicContact CG2-CE2 4.12Å; I1441-F1443 PolarHBondContact O-N 3.31Å; F1443-R1445 VanDerWaalsContact C-N 3.29Å; F1443-R1445 PolarHBondContact O-N 3.21Å
1444H23.1Very low25.1Very low177 Ų177157.5 Ų157.582%0.81978%0.784SS**  trans-69.582167.2-127.3-80.9000109.1K1442 S1446K1442-H1444 PolarHBondContact O-N 2.92Å; K1442-H1444 VanDerWaalsContact O-N 3.08Å; H1444-S1446 PolarHBondContact O-N 2.95Å; H1444-S1446 VanDerWaalsContact O-N 3.09Å
1445R24.5Very low25.3Very low218 Ų218156 Ų15682%0.82378%0.781SS**  trans-78.788.9169.1-85.7-173.3176.3179.80.3109.5F1443 I1447F1443-R1445 VanDerWaalsContact C-N 3.29Å; F1443-R1445 PolarHBondContact O-N 3.21Å; R1445-I1447 PolarHBondContact O-N 3.01Å
1446S23.1Very low25.6Very low96 Ų96154.9 Ų154.967%0.67178%0.782SS**  trans-6594.2162.754.40000109.5H1444 I1448H1444-S1446 PolarHBondContact O-N 2.95Å; H1444-S1446 VanDerWaalsContact O-N 3.09Å; S1446-I1448 PolarHBondContact O-N 2.78Å; S1446-I1448 VanDerWaalsContact O-N 3.13Å
1447I23.3Very low25.4Very low147 Ų147151 Ų15175%0.75478%0.776SS**  trans-79.195.6170.2-61.7174.9000107.4R1445 K1449R1445-I1447 PolarHBondContact O-N 3.01Å; I1447-K1449 PolarHBondContact O-N 3.36Å; I1447-K1449 VanDerWaalsContact O-N 3.11Å
1448I25.2Very low25.5Very low138 Ų138152.1 Ų152.171%0.70878%0.778SS**  trans-63.3108165.3-63.2171.2000106.5S1446 R1450S1446-I1448 PolarHBondContact O-N 2.78Å; S1446-I1448 VanDerWaalsContact O-N 3.13Å; I1448-R1450 VanDerWaalsContact C-N 3.35Å; I1448-R1450 PolarHBondContact O-N 2.79Å
1449K22.9Very low25.6Very low198 Ų198150.1 Ų150.186%0.86178%0.777SS**  trans-59.793.6171.6-79.1-179.2174.9178.40109.1I1447 S1451I1447-K1449 PolarHBondContact O-N 3.36Å; I1447-K1449 VanDerWaalsContact O-N 3.11Å; K1449-S1451 PolarHBondContact O-N 2.91Å
1450R23.8Very low25.6Very low225 Ų225149.8 Ų149.885%0.84978%0.775SS**  trans-76.7103.7162.7-79.5-175.9178.2165.5-0.1107.9I1448 L1452I1448-R1450 VanDerWaalsContact C-N 3.35Å; I1448-R1450 PolarHBondContact O-N 2.79Å; R1450-L1452 PolarHBondContact O-N 3.02Å
1451S24.8Very low25.6Very low118 Ų118149.8 Ų149.883%0.82578%0.775SS**  trans-65.2111.5167.7460000109.5K1449 S1453K1449-S1451 PolarHBondContact O-N 2.91Å; S1451-S1453 PolarHBondContact O-N 2.89Å
1452L25Very low25.6Very low180 Ų180154 Ų15494%0.94278%0.784SS**  trans-70.8119.6173.4-75.5157.3000109.4R1450R1450-L1452 PolarHBondContact O-N 3.02Å
1453S26.7Very low25.5Very low86 Ų86157 Ų15760%0.60179%0.79SS**  trans-74.3136.6174.1-177.50000110.1S1451 D1455S1451-S1453 PolarHBondContact O-N 2.89Å; S1453-D1455 PolarHBondContact O-N 3.46Å; S1453-D1455 VanDerWaalsContact O-N 3.07Å
1454A29.6Very low25.5Very low97 Ų97157.6 Ų157.680%0.80279%0.793SS**THydrogen-bonded Turntrans-81.231.9-175.500000114.2
1455D31Very low25.7Very low134 Ų134160 Ų16072%0.71780%0.795SS**THydrogen-bonded Turntrans-99.8-8.9-176.9-75.2-31.8000114.6S1453S1453-D1455 PolarHBondContact O-N 3.46Å; S1453-D1455 VanDerWaalsContact O-N 3.07Å
1456D28.7Very low25.9Very low162 Ų162157 Ų15787%0.86679%0.794SS**  trans-94.811.7-168.9-75.4-22000116.8
1457S25Very low26.3Very low101 Ų101159 Ų15971%0.70680%0.796SS**  trans-103.986.2175.664.20000112.6V1459S1457-V1459 PolarHBondContact O-N 3.45Å
1458K28Very low26.7Very low202 Ų202157.8 Ų157.888%0.87880%0.801SS**  trans-84.7105.2167.2-85.5-177.8179173.60110.7N1460K1458-N1460 PolarHBondContact O-N 3.5Å
1459V25.8Very low27.2Very low120 Ų120156.1 Ų156.173%0.72780%0.802SS**  trans-80.1105.5174179.90000109.2S1457 T1461S1457-V1459 PolarHBondContact O-N 3.45Å; V1459-T1461 HydrophobicContact CG1-CG2 4.29Å
1460N25.6Very low27.7Very low145 Ų145157.7 Ų157.778%0.77580%0.802SS**  trans-93.599.6175.1-114.1-5.1000110.2K1458 Y1462K1458-N1460 PolarHBondContact O-N 3.5Å; N1460-Y1462 PolarHBondContact O-N 3.23Å
1461T23.9Very low27.9Very low126 Ų126157.5 Ų157.577%0.77380%0.803SS**  trans-79.989.7176.341.90000111.1V1459V1459-T1461 HydrophobicContact CG1-CG2 4.29Å
1462Y26.6Very low28.4Very low216 Ų216160.4 Ų160.485%0.84780%0.803SS**  trans-90.5110.6166.9-101.2-84.8000111.1N1460 K1464N1460-Y1462 PolarHBondContact O-N 3.23Å; Y1462-K1464 PolarHBondContact O-N 3.18Å
1463R23.5Very low28.9Very low237 Ų237160.3 Ų160.389%0.89480%0.798SS**  trans-89.185.4-178.7-165.1-176.4-159.1177.45.4109.2R1465R1463-R1465 PolarHBondContact O-N 3.1Å
1464K26.6Very low29.1Very low187 Ų187164.3 Ų164.381%0.81381%0.813SS**  trans-86.1107.5170.8-101-177.1176178.90109.8Y1462 I1466Y1462-K1464 PolarHBondContact O-N 3.18Å; K1464-I1466 PolarHBondContact O-N 3.44Å
1465R26.4Very low29Very low228 Ų228170.1 Ų170.186%0.8683%0.828SS**  trans-61.2122.3162.2-74.8179.5-178.4174.3-0.5107.2R1463R1463-R1465 PolarHBondContact O-N 3.1Å
1466I28.8Very low28.9Very low155 Ų155172 Ų17280%0.79583%0.834SS**  trans-116.1112.9170-63.1178.6000105.5K1464K1464-I1466 PolarHBondContact O-N 3.44Å
1467D31.2Very low28.9Very low136 Ų136172.5 Ų172.573%0.72783%0.832SS**  trans-64.2136.3-175.3-74.5-44000111.8S1469D1467-S1469 PolarHBondContact O-N 3.33Å
1468S32.8Very low29.2Very low122 Ų122176.4 Ų176.485%0.85384%0.839SS**THydrogen-bonded Turntrans-75.220.7-168.9-167.90000115.2
1469S34.2Very low29.2Very low104 Ų104174.9 Ų174.973%0.72784%0.837SS**THydrogen-bonded Turntrans-92.11.2-171.560.90000115.9D1467D1467-S1469 PolarHBondContact O-N 3.33Å
1470R33.3Very low29.5Very low231 Ų231178.4 Ų178.487%0.87284%0.844SS**SBendtrans-107.34.9-176.5-85.3-166.6-167176.34.3117.3
1471Y28.8Very low29.7Very low221 Ų221180.6 Ų180.687%0.86785%0.848SS**SBendtrans-93.94.5179.6-101.6-80.4000115.2
1472H35.1Very low30.1Very low178 Ų178184.5 Ų184.582%0.82485%0.853SS**SBendtrans-10010.2-177-116.8-58.3000116.1
1473E34.8Very low30.4Very low178 Ų178182.1 Ų182.183%0.83285%0.854SS**SBendtrans-114.18.7-175.7-110.9179.3-178.600115.7
1474N31.8Very low31Very low170 Ų170177.5 Ų177.591%0.90985%0.851SS**  trans-136.525.7177.3-84.5-35.8000114.8
1475I28Very low31.4Very low220 Ų220176.6 Ų176.6100%1.12885%0.854SS**  trans-115.70153.9-56.8176.2000105.4

Retrieved 1,475 of 1,475 residues in 953.4 ms (Link to these results)

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