A0A5K4FH65_SCHMA Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FH65, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,838 aa.

>A0A5K4FH65_SCHMA|A0A5K4FH65
MAFNFHDMSDIQCVDQKSSGSDSSSTGEEERLRQLFLSCDSNNDGCLDCEDLYNMCKKLNMAECAEEIINTLGANTKGCITFDEFLSCREKVFQMQTEADNIYFAKSGLSNHQIYKRSGLSWCGHTTNKIHARVQNNGQEVNENSVRKMNENINLESSASETSLVNSGAEYDSGAQDLCGEPQSLHLLMQRDFPDLYKIIFPLPMNSIRNEFENDTMTNEFNLLSVNDVDNSAKDLQNQKLTNTINIQSVNKLSNLPRHIDTESFCIKSKEIESNHFLDNVRHLFECANTLHVQRTAQLRSEIRDLSHRLQGLQTSRDMNHREVQRLQREKEQLRNELTNQVSRYEDRLTELHSVIAELRRRLEHTESNIIHEVEEFEENDGDDGDDDDMVKKSKLSLLNTFNSTNINHDYSTHQDEFDKDMSGNSDTSVNVMMDDDDEEDDGDDDNVEDVVGPSSDAIEDKYVGIIKQYHQSKSNSHMFLNQTTNLQYDPLNHNHELYNHDLCIKYETIISNMQAQLTYVIEERDMLANQLNELTGTHKSILLNSTIQTSTVVTENVSSSLAVSTTTTPTTSTISEIVGLKSYSISHPIMGLNRSVQMRSNSNNNNNVSYPPITSLSTPSSTTGFSISKQQTNVDNNITNQLHKTTSSEHLNHNKVSGTITKSSVTTSATNTTMTTQMNSNVYDLPEPEWITQTLKQYYEYSITHSKPNIPCGLFSGELHSSTTTTTATNGGGGGTGDLRGSGGVTGVLPFDFEQSLFDQLGCEEISTNLSENSMNLPNQFTPNALMIFLCSLAHSTPYPRLSELAHCAQLTSYRLLTKLAHYQSDCLVLQANLAEIKSNADQMQCQLNQIESNWSIINRAMQYCEAALEVSDCLNQLYSTELAVTIFRQSQNNQMLKHPFSTISSSTSSSSFHGHSKPSQLRHQPLKKYENSQQISVTTSPYQLYSSIGSSEEHDLLNNITNTNNNNTTAGVGQQQQQQIFSMNHFNLHNLKSLRQQVELLAYTILDKYETSDGGYEKILPTSLPNLTNINMTTTTSVGGTIPTIHGTNLCPLQCLQHVQHSSQSPISPGLCSIQSAITSSSSLLDNNNNNNTTTNHNNSSIYANSWYVSLNRNKFNPAQCLPMEMNEHSNQSQQLPSMSLHSTSSSIPSVVYQQQRQYNNVRLNHNLQLINPHLRSFVKSNSQNNTNQTINESRMNGSIDGCGWETPDSGAGSSSINELSSHQHQHHQRQQSGYLLNPSLFLSSSTSSLLFGHYYQTYGEIIQNNTTHKGNNPLDLLVVNTLLDNLPPLWTLFTKTSTSFYESDLDSSDSSDLPGNFMKTTDLSKHTTHSHPHHHQQQEQQHHPQQQQQCNSSIHGQLLPQLPPISSQQQQQQQPNSHSIQLSNWSRLEERKLRIIYYQLIHHYKRLQSMLIDMPNPYQLVIPNNTTTNNNSSNNVLETSLMNEIGEKPKTTNHVINHHPNILTSRSITVNPIQQQQIHLDQQNSISMNSLRKLPLAVFLENSILLQELCCIKEECADLKIRVYLLEKELHSNRLTLDSRAVAERALRAHLDALIIEQNNQQSIFNHNHSIVTEFNKTTPTINQSIQNVNHNEIVLLRGQVKNLLQALEALRSSTEIQQIQSEELVNDLKRANSALIKAFNKVKHKYTTRIKKLENQLHSIQPIPSIDSNSLPLNKPFRPQTNSSTIIQTTTTTTTTTTTSTTHNNHLSNTFKGCIIEHHDLNNVSINSHIHSIYPIKSSFQQPTIITTTTTTLNHSLNIPTMIDSNRDFIPSIPTSYIPSIPLNPNPHPHHHHLDHHQDHLYPQTQQQLMKSNTSKVKTTASQHLTNVKQFLTH
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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
1M30.8Very low26.7Very low254 Ų254154.7 Ų154.7100%1.25181%0.806SS**  0-172.20-78.5175.7167.500108.2
2A29.5Very low26.5Very low87 Ų87156.4 Ų156.472%0.71981%0.807SS**  trans-74.2150.4-159.200000117.4
3F29.8Very low26.5Very low186 Ų186153.5 Ų153.582%0.81681%0.807SS**  trans45120.8139-75.9-107.3000122.8
4N28Very low26.5Very low120 Ų120150.9 Ų150.964%0.64280%0.799SS**  36.2149.8100.4-64.35.2000120.4
5F28.3Very low26.7Very low179 Ų179152.3 Ų152.379%0.78581%0.807SS**  cis-151.7-159.63.9-128.1-47.8000112.9
6H25.2Very low26.9Very low164 Ų164150.9 Ų150.976%0.75980%0.795SS**  trans-100.8141.8-163.4-83.8-7.2000116.4
7D24.8Very low26.9Very low135 Ų135151.8 Ų151.872%0.72279%0.791SS**  54.7161.8109.6-144.46.5000123.6
8M23Very low27.2Very low151 Ų151150.3 Ų150.374%0.74480%0.795SS**  trans85.7112.1159.3-75.6-75.5167.800122.8
9S27.3Very low27.5Very low111 Ų111147.8 Ų147.878%0.77679%0.791SS**  112.6114.6129.8-620000120.4
10D23.6Very low27.7Very low162 Ų162144 Ų14487%0.86679%0.789SS**  trans-91.4156.4166.6-56-81.9000113
11I23.5Very low27.7Very low153 Ų153142.3 Ų142.379%0.78579%0.787SS**  trans-163.5139.1144.5-111.3162.7000111.1
12Q24.4Very low27.8Very low175 Ų175136.8 Ų136.882%0.81876%0.763SS**  trans48.8126.3164.8-69.3171-24.300118.9
13C25.7Very low27.8Very low119 Ų119137.9 Ų137.980%0.80477%0.765SS**  -154.1142.779.3-84.80000115.4
14V27.1Very low28.2Very low116 Ų116133.9 Ų133.970%0.70376%0.76SS**  trans24.8123.6140.4-170.10000119.1Q16V14-Q16 HydrophobicContact CG1-CB 4.03Å; V14-Q16 HydrophobicContact CG1-CG 4.3Å
15D29.6Very low29.2Very low172 Ų172130.9 Ų130.992%0.9275%0.749SS**  trans-120.4147.1141-135.7-27000108.1
16Q29.4Very low30.2Very low131 Ų131127.1 Ų127.161%0.61274%0.741SS**  trans-136.3150.1-161.9-140.2-168.246.400114.1V14V14-Q16 HydrophobicContact CG1-CB 4.03Å; V14-Q16 HydrophobicContact CG1-CG 4.3Å
17K28.3Very low32.2Very low165 Ų165121.4 Ų121.472%0.71773%0.726SS**  trans72.3120.1162.9-65.4161.5170.9132.80118.9
18S32.3Very low34.2Very low125 Ų125119.7 Ų119.787%0.87471%0.714SS**  -128.3119.2106.361.70000108.4
19S32.5Very low36.5Very low103 Ų103116.2 Ų116.272%0.7270%0.696SS**  trans-96.3132.1-166.649.70000113.9
20G30.5Very low38.7Very low72 Ų72115.5 Ų115.574%0.74268%0.68SS**  trans-105.275.616800000112.6D22G20-D22 PolarHBondContact O-N 3.37Å
21S27.3Very low41.2Very low108 Ų108114.6 Ų114.676%0.75567%0.665SS**  trans48.643.4156.5-52.70000120.7S23S21-S23 PolarHBondContact O-N 2.8Å
22D33.3Very low43.9Very low139 Ų139108.5 Ų108.574%0.74363%0.633SS**  trans-76.792.9152.3-77.5-49.4000109.6G20G20-D22 PolarHBondContact O-N 3.37Å
23S30.8Very low46.7Very low110 Ų110104.5 Ų104.577%0.76961%0.611SS**  trans-116.420.2-178.6630000114.4S21S21-S23 PolarHBondContact O-N 2.8Å
24S38Very low49.2Very low101 Ų101104.4 Ų104.471%0.70660%0.598SS**SBendtrans-119.1-19.5173.255.30000113.9
25S48.6Very low51.9Low57 Ų57103.3 Ų103.340%0.39959%0.588SS.*SBendtrans-73.3-35-17155.30000114.4G27 E28 E29S25-G27 VanDerWaalsContact C-N 3.3Å; S25-G27 PolarHBondContact O-N 3.17Å; S25-E28 WeakPolarHBondContact O-CA 3.2Å; S25-E28 PolarHBondContact O-N 3.11Å; S25-E29 PolarHBondContact O-N 3.32Å
26T50Low54.5Low101 Ų10195.4 Ų95.462%0.6255%0.546SS*.Hα-helixtrans-60.4-37.1-176.7530000113E28 E30T26-E28 VanDerWaalsContact C-N 3.28Å; T26-E28 PolarHBondContact O-N 2.7Å; T26-E30 VanDerWaalsContact O-CB 3.31Å; T26-E30 WeakPolarHBondContact O-CB 3.48Å; T26-E30 PolarHBondContact O-N 3.04Å
27G65.9Low56.9Low44 Ų4493 Ų9345%0.45454%0.537SS..Hα-helixtrans-73.3-16.1174.900000114.3S25 R31S25-G27 VanDerWaalsContact C-N 3.3Å; S25-G27 PolarHBondContact O-N 3.17Å; G27-R31 WeakPolarHBondContact O-CD 3.45Å; G27-R31 WeakPolarHBondContact O-CG 3.46Å
28E66.6Low59.3Low98 Ų9888.9 Ų88.946%0.45853%0.528SS..Hα-helixtrans-92.1-42.6173-158.2-169.4-121.800111.4S25 T26 E30 R31 L32 R89S25-E28 WeakPolarHBondContact O-CA 3.2Å; S25-E28 PolarHBondContact O-N 3.11Å; T26-E28 VanDerWaalsContact C-N 3.28Å; T26-E28 PolarHBondContact O-N 2.7Å; E28-E30 PolarHBondContact O-N 3.35Å; E28-R31 PolarHBondContact O-N 3.02Å; E28-L32 HydrophobicContact CG-CD1 4.4Å; E28-L32 WeakPolarHBondContact O-CG 3.31Å; E28-L32 PolarHBondContact O-N 3.02Å; E28-R89 VanDerWaalsContact CD-NH2 3.28Å; E28-R89 IonicContact OE1-NH2 2.76Å; E28-R89 PolarHBondContact OE1-NH2 3.49Å; E28-R89 IonicContact OE2-CZ 3.14Å; E28-R89 IonicContact OE2-NH1 2.71Å; E28-R89 PolarHBondContact OE2-NH1 3.05Å; E28-R89 IonicContact OE2-NH2 3.42Å; E28-R89 PolarHBondContact OE2-NH2 3.17Å
29E72.5Confident61.4Low78 Ų7884 Ų8436%0.36449%0.494SS..Hα-helixtrans-60.6-45.6174.2-164.4-160.3139.900111.1S25 R31 L32 R33 F82 L86S25-E29 PolarHBondContact O-N 3.32Å; E29-R31 VanDerWaalsContact C-N 3.32Å; E29-R31 PolarHBondContact O-N 3.39Å; E29-L32 CarbonylContact O-C 3.57Å; E29-L32 WeakPolarHBondContact O-CA 3.42Å; E29-L32 WeakPolarHBondContact O-CB 3.37Å; E29-L32 PolarHBondContact O-N 2.78Å; E29-R33 PolarHBondContact O-N 3.41Å; E29-R33 IonicContact OE1-CZ 3.18Å; E29-R33 VanDerWaalsContact OE1-CZ 3.28Å; E29-R33 IonicContact OE1-NE 3.87Å; E29-R33 PolarHBondContact OE1-NE 3.18Å; E29-R33 IonicContact OE1-NH2 2.65Å; E29-R33 PolarHBondContact OE1-NH2 3.42Å; E29-F82 HydrophobicContact CG-CE1 4.21Å; E29-F82 HydrophobicContact CG-CZ 4.2Å; E29-L86 HydrophobicContact CG-CD1 4.47Å
30E73Confident63.9Low96 Ų9679.5 Ų79.545%0.44946%0.462SS..Hα-helixtrans-65.8-35177.7-175.255.5-149.800111.6T26 E28 L32 R33 Q34T26-E30 VanDerWaalsContact O-CB 3.31Å; T26-E30 WeakPolarHBondContact O-CB 3.48Å; T26-E30 PolarHBondContact O-N 3.04Å; E28-E30 PolarHBondContact O-N 3.35Å; E30-L32 VanDerWaalsContact C-N 3.3Å; E30-L32 PolarHBondContact O-N 2.93Å; E30-R33 PolarHBondContact O-N 3.14Å; E30-Q34 WeakPolarHBondContact O-CB 3.47Å; E30-Q34 WeakPolarHBondContact O-CG 3.35Å; E30-Q34 PolarHBondContact O-N 3.35Å; E30-Q34 PolarHBondContact OE1-NE2 3.4Å
31R75.1Confident65.9Low144 Ų14479.7 Ų79.754%0.54345%0.452SS..Hα-helixtrans-65.5-33.4170.7-77.1178.589.5159.212.9112.4G27 E28 E29 L35G27-R31 WeakPolarHBondContact O-CD 3.45Å; G27-R31 WeakPolarHBondContact O-CG 3.46Å; E28-R31 PolarHBondContact O-N 3.02Å; E29-R31 VanDerWaalsContact C-N 3.32Å; E29-R31 PolarHBondContact O-N 3.39Å; R31-L35 VanDerWaalsContact O-CB 3.29Å; R31-L35 WeakPolarHBondContact O-CB 3.48Å; R31-L35 PolarHBondContact O-N 3.44Å
32L81.7Confident68.4Low24 Ų2478.3 Ų78.313%0.12644%0.436CS..Hα-helixtrans-72.5-35.9174.4-71.5160.6000111.6E28 E29 E30 L35 F36 F82 F85 L86E28-L32 HydrophobicContact CG-CD1 4.4Å; E28-L32 WeakPolarHBondContact O-CG 3.31Å; E28-L32 PolarHBondContact O-N 3.02Å; E29-L32 CarbonylContact O-C 3.57Å; E29-L32 WeakPolarHBondContact O-CA 3.42Å; E29-L32 WeakPolarHBondContact O-CB 3.37Å; E29-L32 PolarHBondContact O-N 2.78Å; E30-L32 VanDerWaalsContact C-N 3.3Å; E30-L32 PolarHBondContact O-N 2.93Å; L32-L35 PolarHBondContact O-N 2.94Å; L32-F36 VanDerWaalsContact O-CB 3.24Å; L32-F36 WeakPolarHBondContact O-CB 3.27Å; L32-F36 PolarHBondContact O-N 3.03Å; L32-F82 HydrophobicContact CB-CE2 4.21Å; L32-F82 HydrophobicContact CB-CZ 4.24Å; L32-F85 HydrophobicContact CD2-CE1 4.22Å; L32-L86 HydrophobicContact CD1-CD2 4.19Å
33R81.6Confident70.3Confident92 Ų9277.2 Ų77.235%0.34743%0.43SS..Hα-helixtrans-61.3-48.6170.1-70.8-177.5-179.7-81.6-7.1111.2E29 E30 L35 F36 L37 F82E29-R33 PolarHBondContact O-N 3.41Å; E29-R33 IonicContact OE1-CZ 3.18Å; E29-R33 VanDerWaalsContact OE1-CZ 3.28Å; E29-R33 IonicContact OE1-NE 3.87Å; E29-R33 PolarHBondContact OE1-NE 3.18Å; E29-R33 IonicContact OE1-NH2 2.65Å; E29-R33 PolarHBondContact OE1-NH2 3.42Å; E30-R33 PolarHBondContact O-N 3.14Å; R33-L35 VanDerWaalsContact C-N 3.33Å; R33-L35 PolarHBondContact O-N 3.43Å; R33-F36 PolarHBondContact O-N 3.33Å; R33-L37 WeakPolarHBondContact O-CB 3.47Å; R33-L37 WeakPolarHBondContact O-CG 3.45Å; R33-L37 PolarHBondContact O-N 3.01Å; R33-F82 HydrophobicContact CB-CE2 4.33Å; R33-F82 HydrophobicContact CB-CZ 4.3Å; R33-F82 HydrophobicContact CG-CD1 4.28Å; R33-F82 HydrophobicContact CG-CD2 4.33Å; R33-F82 HydrophobicContact CG-CE1 3.61Å; R33-F82 HydrophobicContact CG-CE2 3.71Å; R33-F82 HydrophobicContact CG-CZ 3.3Å
34Q80.1Confident72.7Confident116 Ų11676.8 Ų76.854%0.54242%0.419SS..Hα-helixtrans-59.1-41.7174.1-66.9-75.1-35.400112E30 S38E30-Q34 WeakPolarHBondContact O-CB 3.47Å; E30-Q34 WeakPolarHBondContact O-CG 3.35Å; E30-Q34 PolarHBondContact O-N 3.35Å; E30-Q34 PolarHBondContact OE1-NE2 3.4Å; Q34-S38 WeakPolarHBondContact O-CB 3.27Å; Q34-S38 PolarHBondContact O-N 3.39Å; Q34-S38 PolarHBondContact O-OG 2.76Å
35L82Confident74.5Confident93 Ų9373.5 Ų73.549%0.48740%0.401SS..Hα-helixtrans-66.8-44.2178.6-16376.9000111.6R31 L32 R33 S38 C39R31-L35 VanDerWaalsContact O-CB 3.29Å; R31-L35 WeakPolarHBondContact O-CB 3.48Å; R31-L35 PolarHBondContact O-N 3.44Å; L32-L35 PolarHBondContact O-N 2.94Å; R33-L35 VanDerWaalsContact C-N 3.33Å; R33-L35 PolarHBondContact O-N 3.43Å; L35-S38 PolarHBondContact O-N 3.39Å; L35-S38 VanDerWaalsContact O-N 3.13Å; L35-S38 PolarHBondContact O-OG 3.22Å; L35-C39 PolarHBondContact O-N 3.43Å; L35-C39 VanDerWaalsContact O-N 3.14Å; L35-C39 PolarHBondContact O-SG 3.25Å
36F84.2Confident76Confident7 Ų772.2 Ų72.23%0.03139%0.392CS..Hα-helixtrans-60.8-49.7176.6-175-79.5000110.9L32 R33 S38 C39 D40 G45 L47 I80 F82 F85L32-F36 VanDerWaalsContact O-CB 3.24Å; L32-F36 WeakPolarHBondContact O-CB 3.27Å; L32-F36 PolarHBondContact O-N 3.03Å; R33-F36 PolarHBondContact O-N 3.33Å; F36-S38 PolarHBondContact O-N 2.9Å; F36-C39 PolarHBondContact O-N 2.89Å; F36-D40 PolarHBondContact O-N 2.95Å; F36-G45 VanDerWaalsContact CE1-O 3.27Å; F36-G45 WeakPolarHBondContact CE1-O 3.42Å; F36-L47 HydrophobicContact CD1-CG 4.48Å; F36-L47 HydrophobicContact CD2-CD1 3.58Å; F36-L47 HydrophobicContact CD2-CG 3.99Å; F36-L47 HydrophobicContact CE1-CG 4.17Å; F36-L47 HydrophobicContact CE2-CB 4.35Å; F36-L47 HydrophobicContact CE2-CD1 3.61Å; F36-L47 HydrophobicContact CE2-CG 3.67Å; F36-L47 HydrophobicContact CG-CD1 4.21Å; F36-L47 HydrophobicContact CG-CG 4.4Å; F36-L47 HydrophobicContact CZ-CB 4.37Å; F36-L47 HydrophobicContact CZ-CD1 4.25Å; F36-L47 HydrophobicContact CZ-CG 3.78Å; F36-I80 WeakPolarHBondContact CZ-O 3.3Å; F36-F82 HydrophobicContact CB-CD2 3.94Å; F36-F82 HydrophobicContact CB-CE2 4.23Å; F36-F82 HydrophobicContact CD1-CD2 4.36Å; F36-F82 AromaticContact CD2-CD2 3.85Å; F36-F82 HydrophobicContact CD2-CD2 3.85Å; F36-F82 HydrophobicContact CE1-CB 4.49Å; F36-F82 HydrophobicContact CE2-CB 4.32Å; F36-F82 HydrophobicContact CE2-CD2 4.41Å; F36-F82 AromaticContact CG-CD2 3.82Å; F36-F82 HydrophobicContact CG-CD2 3.82Å; F36-F82 HydrophobicContact CZ-CB 4.28Å; F36-F85 HydrophobicContact CD2-CB 4Å; F36-F85 AromaticContact CD2-CD1 3.94Å; F36-F85 HydrophobicContact CD2-CD1 3.94Å; F36-F85 HydrophobicContact CD2-CD2 4.46Å; F36-F85 AromaticContact CD2-CG 3.88Å; F36-F85 HydrophobicContact CD2-CG 3.88Å; F36-F85 HydrophobicContact CE2-CB 3.82Å; F36-F85 HydrophobicContact CE2-CG 4.19Å
37L80.4Confident77.6Confident81 Ų8167.8 Ų67.842%0.42436%0.364SS..Hα-helixtrans-61.1-22.2173.1-79.5162.1000114R33R33-L37 WeakPolarHBondContact O-CB 3.47Å; R33-L37 WeakPolarHBondContact O-CG 3.45Å; R33-L37 PolarHBondContact O-N 3.01Å
38S78Confident78.3Confident77 Ų7768 Ų6854%0.53836%0.355SS..Hα-helixtrans-86.8-12.3173.777.60000114.1Q34 L35 F36Q34-S38 WeakPolarHBondContact O-CB 3.27Å; Q34-S38 PolarHBondContact O-N 3.39Å; Q34-S38 PolarHBondContact O-OG 2.76Å; L35-S38 PolarHBondContact O-N 3.39Å; L35-S38 VanDerWaalsContact O-N 3.13Å; L35-S38 PolarHBondContact O-OG 3.22Å; F36-S38 PolarHBondContact O-N 2.9Å
39C77.6Confident78.9Confident22 Ų2265.9 Ų65.915%0.14935%0.351CS..Hα-helixtrans-96.3-33.2175.2-63.80000111.9L35 F36 S41 L47 M55L35-C39 PolarHBondContact O-N 3.43Å; L35-C39 VanDerWaalsContact O-N 3.14Å; L35-C39 PolarHBondContact O-SG 3.25Å; F36-C39 PolarHBondContact O-N 2.89Å; C39-S41 PolarHBondContact O-N 2.9Å; C39-L47 HydrophobicContact CB-CD1 4.35Å; C39-L47 HydrophobicContact CB-CD2 3.71Å; C39-M55 HydrophobicContact CB-CG 4.42Å
40D84.3Confident79.3Confident9 Ų967.3 Ų67.35%0.04836%0.357CS..  trans-65110171.4177.7-1.6000109.7F36 N42 N43 D44 G45 L47F36-D40 PolarHBondContact O-N 2.95Å; D40-N42 PolarHBondContact OD1-N 3.07Å; D40-N42 VanDerWaalsContact OD1-N 3.11Å; D40-N43 VanDerWaalsContact OD1-CA 3.32Å; D40-N43 WeakPolarHBondContact OD1-CA 3.47Å; D40-N43 PolarHBondContact OD1-N 2.87Å; D40-N43 VanDerWaalsContact OD2-CA 3.31Å; D40-N43 WeakPolarHBondContact OD2-CA 3.34Å; D40-D44 PolarHBondContact OD2-N 3.11Å; D40-G45 PolarHBondContact OD2-N 3.02Å; D40-L47 HydrophobicContact CB-CD2 3.95Å; D40-L47 VanDerWaalsContact N-CD2 3.31Å
41S72.9Confident79.9Confident76 Ų7663 Ų6353%0.53134%0.338SS..SBendtrans-90.5-14.8-177.6-44.80000112.6C39 D51C39-S41 PolarHBondContact O-N 2.9Å; S41-D51 WeakPolarHBondContact CA-OD1 3.42Å; S41-D51 WeakPolarHBondContact CB-OD1 3.41Å; S41-D51 PolarHBondContact N-OD1 2.71Å; S41-D51 PolarHBondContact N-OD2 3.22Å; S41-D51 PolarHBondContact OG-OD1 2.76Å
42N79Confident80.2Confident79 Ų7956.4 Ų56.442%0.42231%0.313SS..SBendtrans-102-20.5-175.383.150.3000112.2D40 D44D40-N42 PolarHBondContact OD1-N 3.07Å; D40-N42 VanDerWaalsContact OD1-N 3.11Å; N42-D44 PolarHBondContact ND2-OD2 3.12Å; N42-D44 WeakPolarHBondContact OD1-CA 3.46Å; N42-D44 WeakPolarHBondContact OD1-CB 3.47Å; N42-D44 PolarHBondContact OD1-N 3Å; N42-D44 PolarHBondContact OD1-OD2 3.29Å
43N74.4Confident80.3Confident117 Ų11760.1 Ų60.163%0.62633%0.326SS*.  trans70.426.9177.8-143.7119.7000115.3D40D40-N43 VanDerWaalsContact OD1-CA 3.32Å; D40-N43 WeakPolarHBondContact OD1-CA 3.47Å; D40-N43 PolarHBondContact OD1-N 2.87Å; D40-N43 VanDerWaalsContact OD2-CA 3.31Å; D40-N43 WeakPolarHBondContact OD2-CA 3.34Å
44D80.5Confident80.2Confident101 Ų10157.7 Ų57.754%0.5432%0.32SS..SBendtrans-82.9-12.4177.278.723.2000114.8D40 N42 C46D40-D44 PolarHBondContact OD2-N 3.11Å; N42-D44 PolarHBondContact ND2-OD2 3.12Å; N42-D44 WeakPolarHBondContact OD1-CA 3.46Å; N42-D44 WeakPolarHBondContact OD1-CB 3.47Å; N42-D44 PolarHBondContact OD1-N 3Å; N42-D44 PolarHBondContact OD1-OD2 3.29Å; D44-C46 WeakPolarHBondContact OD1-CA 3.34Å; D44-C46 WeakPolarHBondContact OD1-CB 3.31Å; D44-C46 PolarHBondContact OD1-N 3.17Å
45G75.5Confident80.2Confident32 Ų3254.1 Ų54.133%0.3330%0.304SS..SBendtrans90.49.7179.900000115.4F36 D40F36-G45 VanDerWaalsContact CE1-O 3.27Å; F36-G45 WeakPolarHBondContact CE1-O 3.42Å; D40-G45 PolarHBondContact OD2-N 3.02Å
46C81.2Confident80.1Confident30 Ų3050 Ų5020%0.20328%0.282CS..EExtended strand (participates in β ladder)trans-133.5122.7176.9-51.20000110.7D44 D48 C79 I80D44-C46 WeakPolarHBondContact OD1-CA 3.34Å; D44-C46 WeakPolarHBondContact OD1-CB 3.31Å; D44-C46 PolarHBondContact OD1-N 3.17Å; C46-D48 PolarHBondContact O-N 3.33Å; C46-D48 VanDerWaalsContact O-N 3.17Å; C46-C79 HydrophobicContact CB-CB 3.75Å; C46-I80 CarbonylContact C-O 3.6Å; C46-I80 WeakPolarHBondContact CA-O 3.45Å
47L82.7Confident79.9Confident7 Ų755.5 Ų55.54%0.03731%0.306CS..EExtended strand (participates in β ladder)trans-73.9111.3177.1-69.4174.4000110.4F36 C39 D40 D51 C79 I80F36-L47 HydrophobicContact CD1-CG 4.48Å; F36-L47 HydrophobicContact CD2-CD1 3.58Å; F36-L47 HydrophobicContact CD2-CG 3.99Å; F36-L47 HydrophobicContact CE1-CG 4.17Å; F36-L47 HydrophobicContact CE2-CB 4.35Å; F36-L47 HydrophobicContact CE2-CD1 3.61Å; F36-L47 HydrophobicContact CE2-CG 3.67Å; F36-L47 HydrophobicContact CG-CD1 4.21Å; F36-L47 HydrophobicContact CG-CG 4.4Å; F36-L47 HydrophobicContact CZ-CB 4.37Å; F36-L47 HydrophobicContact CZ-CD1 4.25Å; F36-L47 HydrophobicContact CZ-CG 3.78Å; C39-L47 HydrophobicContact CB-CD1 4.35Å; C39-L47 HydrophobicContact CB-CD2 3.71Å; D40-L47 HydrophobicContact CB-CD2 3.95Å; D40-L47 VanDerWaalsContact N-CD2 3.31Å; L47-D51 HydrophobicContact CD2-CB 4.15Å; L47-C79 CarbonylContact O-C 3.59Å; L47-C79 WeakPolarHBondContact O-CA 3.48Å; L47-I80 PolarHBondContact N-O 3.33Å; L47-I80 PolarHBondContact O-N 2.71Å
48D80.7Confident79.6Confident48 Ų4858.3 Ų58.326%0.25732%0.315SS..EExtended strand (participates in β ladder)trans-82178.8173.4885000112.6C46 E50 D51 L52 G78 C79C46-D48 PolarHBondContact O-N 3.33Å; C46-D48 VanDerWaalsContact O-N 3.17Å; D48-E50 VanDerWaalsContact C-N 3.34Å; D48-E50 WeakPolarHBondContact OD1-CA 3.35Å; D48-E50 WeakPolarHBondContact OD1-CB 3.48Å; D48-E50 PolarHBondContact OD1-N 3.29Å; D48-D51 PolarHBondContact OD1-N 2.88Å; D48-L52 PolarHBondContact O-N 2.97Å; D48-L52 VanDerWaalsContact O-N 3.1Å; D48-G78 WeakPolarHBondContact CA-O 3.42Å; D48-C79 HydrophobicContact CB-CB 4.31Å
49C80Confident79.5Confident55 Ų5560 Ų6037%0.37232%0.318SS..Hα-helixtrans-71.4-23.4179.553.90000114.2Y53 I69 A74C49-Y53 VanDerWaalsContact O-CB 3.26Å; C49-Y53 WeakPolarHBondContact O-CB 3.41Å; C49-Y53 PolarHBondContact O-N 3.49Å; C49-I69 HydrophobicContact CB-CG2 4.08Å; C49-I69 WeakPolarHBondContact O-CD1 3.3Å; C49-A74 HydrophobicContact CB-CB 4.21Å
50E79.5Confident79.2Confident107 Ų10766.3 Ų66.350%0.535%0.35SS..Hα-helixtrans-82-35.2176.1-176.361.4-151.300111D48 Y53 N54D48-E50 VanDerWaalsContact C-N 3.34Å; D48-E50 WeakPolarHBondContact OD1-CA 3.35Å; D48-E50 WeakPolarHBondContact OD1-CB 3.48Å; D48-E50 PolarHBondContact OD1-N 3.29Å; E50-Y53 PolarHBondContact O-N 2.78Å; E50-N54 WeakPolarHBondContact O-CB 3.44Å; E50-N54 PolarHBondContact O-N 3.24Å; E50-N54 PolarHBondContact O-ND2 3.11Å; E50-N54 PolarHBondContact OE1-ND2 2.72Å
51D86.6Confident78.5Confident7 Ų770.6 Ų70.64%0.03737%0.371CS..Hα-helixtrans-62.6-48.1169.3-86.1-39.1000111.6S41 L47 D48 Y53 N54 M55S41-D51 WeakPolarHBondContact CA-OD1 3.42Å; S41-D51 WeakPolarHBondContact CB-OD1 3.41Å; S41-D51 PolarHBondContact N-OD1 2.71Å; S41-D51 PolarHBondContact N-OD2 3.22Å; S41-D51 PolarHBondContact OG-OD1 2.76Å; L47-D51 HydrophobicContact CD2-CB 4.15Å; D48-D51 PolarHBondContact OD1-N 2.88Å; D51-Y53 VanDerWaalsContact C-N 3.31Å; D51-Y53 PolarHBondContact O-N 2.88Å; D51-N54 PolarHBondContact O-N 2.94Å; D51-M55 VanDerWaalsContact O-CB 3.28Å; D51-M55 WeakPolarHBondContact O-CB 3.03Å; D51-M55 PolarHBondContact O-N 2.87Å
52L81.6Confident78.6Confident4 Ų469.1 Ų69.12%0.02136%0.363CS..Hα-helixtrans-60.6-40.3173.6-97.3165.8000112.2D48 M55 C56 I68 I69 L72 A74 I80D48-L52 PolarHBondContact O-N 2.97Å; D48-L52 VanDerWaalsContact O-N 3.1Å; L52-M55 HydrophobicContact CD2-CE 3.84Å; L52-M55 PolarHBondContact O-N 2.94Å; L52-C56 WeakPolarHBondContact O-CB 3.19Å; L52-C56 PolarHBondContact O-N 3.08Å; L52-C56 PolarHBondContact O-SG 3.48Å; L52-I68 HydrophobicContact CD2-CG2 4.27Å; L52-I69 HydrophobicContact CB-CD1 4.29Å; L52-I69 HydrophobicContact CB-CG1 3.76Å; L52-I69 HydrophobicContact CD1-CG1 4.4Å; L52-L72 HydrophobicContact CD1-CB 4.42Å; L52-L72 HydrophobicContact CD1-CD1 3.85Å; L52-L72 HydrophobicContact CD2-CD1 3.57Å; L52-L72 HydrophobicContact CG-CD1 4.39Å; L52-A74 HydrophobicContact CD1-CB 3.85Å; L52-I80 HydrophobicContact CD1-CD1 3.79Å
53Y83.1Confident78.3Confident103 Ų10373 Ų7340%0.40438%0.379SS..Hα-helixtrans-66.1-44.3176.9-168.5-106.8000111.8C49 E50 D51 M55 C56 K57 A65 I69C49-Y53 VanDerWaalsContact O-CB 3.26Å; C49-Y53 WeakPolarHBondContact O-CB 3.41Å; C49-Y53 PolarHBondContact O-N 3.49Å; E50-Y53 PolarHBondContact O-N 2.78Å; D51-Y53 VanDerWaalsContact C-N 3.31Å; D51-Y53 PolarHBondContact O-N 2.88Å; Y53-M55 VanDerWaalsContact C-N 3.34Å; Y53-M55 PolarHBondContact O-N 2.88Å; Y53-C56 PolarHBondContact O-N 3.06Å; Y53-K57 WeakPolarHBondContact O-CB 2.92Å; Y53-K57 PolarHBondContact O-N 2.95Å; Y53-A65 HydrophobicContact CD2-CB 3.62Å; Y53-A65 HydrophobicContact CE2-CB 3.87Å; Y53-I69 HydrophobicContact CD2-CD1 4.24Å
54N80.1Confident78.2Confident40 Ų4069.9 Ų69.921%0.21437%0.365CS..Hα-helixtrans-68.3-30.9176-77.8-64.5000112.7E50 D51 K58E50-N54 WeakPolarHBondContact O-CB 3.44Å; E50-N54 PolarHBondContact O-N 3.24Å; E50-N54 PolarHBondContact O-ND2 3.11Å; E50-N54 PolarHBondContact OE1-ND2 2.72Å; D51-N54 PolarHBondContact O-N 2.94Å; N54-K58 WeakPolarHBondContact O-CB 3.46Å; N54-K58 WeakPolarHBondContact O-CD 3.38Å; N54-K58 WeakPolarHBondContact O-CG 3.25Å; N54-K58 PolarHBondContact O-N 3.42Å
55M79.5Confident77.9Confident42 Ų4265 Ų6521%0.20734%0.34CS..Hα-helixtrans-69.5-47.3172-174.3-92.8-8300111.6C39 D51 L52 Y53 K57 K58 L59C39-M55 HydrophobicContact CB-CG 4.42Å; D51-M55 VanDerWaalsContact O-CB 3.28Å; D51-M55 WeakPolarHBondContact O-CB 3.03Å; D51-M55 PolarHBondContact O-N 2.87Å; L52-M55 HydrophobicContact CD2-CE 3.84Å; L52-M55 PolarHBondContact O-N 2.94Å; Y53-M55 VanDerWaalsContact C-N 3.34Å; Y53-M55 PolarHBondContact O-N 2.88Å; M55-K57 PolarHBondContact O-N 3.46Å; M55-K58 PolarHBondContact O-N 2.86Å; M55-K58 VanDerWaalsContact O-N 3.17Å; M55-L59 WeakPolarHBondContact O-CG 3.45Å; M55-L59 PolarHBondContact O-N 2.92Å; M55-L59 HydrophobicContact SD-CD1 3.55Å; M55-L59 VanDerWaalsContact SD-CD1 3.55Å; M55-L59 HydrophobicContact SD-CG 4.32Å
56C80.9Confident77.9Confident5 Ų570.5 Ų70.53%0.03436%0.357CS..Hα-helixtrans-58.6-36.9173.1-66.50000111.9L52 Y53 L59 N60 M61 A65L52-C56 WeakPolarHBondContact O-CB 3.19Å; L52-C56 PolarHBondContact O-N 3.08Å; L52-C56 PolarHBondContact O-SG 3.48Å; Y53-C56 PolarHBondContact O-N 3.06Å; C56-L59 CarbonylContact O-C 3.53Å; C56-L59 PolarHBondContact O-N 2.88Å; C56-N60 PolarHBondContact O-N 2.85Å; C56-M61 PolarHBondContact O-N 3.27Å; C56-A65 HydrophobicContact CB-CB 3.59Å
57K79.7Confident77.5Confident124 Ų12475.6 Ų75.654%0.53938%0.377SS..Hα-helixtrans-69.5-42.7175.1-175.3-179.9174.9-171.30112.7Y53 M55 L59 N60Y53-K57 WeakPolarHBondContact O-CB 2.92Å; Y53-K57 PolarHBondContact O-N 2.95Å; M55-K57 PolarHBondContact O-N 3.46Å; K57-L59 VanDerWaalsContact C-N 3.27Å; K57-L59 PolarHBondContact O-N 2.84Å; K57-N60 PolarHBondContact O-N 2.91Å; K57-N60 VanDerWaalsContact O-N 3.09Å
58K74.2Confident77Confident139 Ų13977.5 Ų77.560%0.60439%0.387SS*.Hα-helixtrans-59.7-36171.9-75.4162.8-174.5166.80111.6N54 M55 N60N54-K58 WeakPolarHBondContact O-CB 3.46Å; N54-K58 WeakPolarHBondContact O-CD 3.38Å; N54-K58 WeakPolarHBondContact O-CG 3.25Å; N54-K58 PolarHBondContact O-N 3.42Å; M55-K58 PolarHBondContact O-N 2.86Å; M55-K58 VanDerWaalsContact O-N 3.17Å; K58-N60 VanDerWaalsContact C-N 3.31Å
59L75.7Confident76.8Confident114 Ų11476 Ų7660%0.59738%0.379SS*.THydrogen-bonded Turntrans-843.2175.9-64.5-179.2000114.4M55 C56 K57 M61M55-L59 WeakPolarHBondContact O-CG 3.45Å; M55-L59 PolarHBondContact O-N 2.92Å; M55-L59 HydrophobicContact SD-CD1 3.55Å; M55-L59 VanDerWaalsContact SD-CD1 3.55Å; M55-L59 HydrophobicContact SD-CG 4.32Å; C56-L59 CarbonylContact O-C 3.53Å; C56-L59 PolarHBondContact O-N 2.88Å; K57-L59 VanDerWaalsContact C-N 3.27Å; K57-L59 PolarHBondContact O-N 2.84Å; L59-M61 HydrophobicContact CB-CG 4.48Å; L59-M61 PolarHBondContact O-N 3.44Å
60N70Confident76.4Confident154 Ų15477 Ų7782%0.82438%0.38SS*.THydrogen-bonded Turntrans58.925.8-177.4-156.336.1000114.5C56 K57 K58C56-N60 PolarHBondContact O-N 2.85Å; K57-N60 PolarHBondContact O-N 2.91Å; K57-N60 VanDerWaalsContact O-N 3.09Å; K58-N60 VanDerWaalsContact C-N 3.31Å
61M71.3Confident75.9Confident98 Ų9876.7 Ų76.748%0.48339%0.386SS..  trans-104.828177.7-67-169.367.300112.8C56 L59 E63 C64 A65C56-M61 PolarHBondContact O-N 3.27Å; L59-M61 HydrophobicContact CB-CG 4.48Å; L59-M61 PolarHBondContact O-N 3.44Å; M61-E63 PolarHBondContact O-N 2.97Å; M61-E63 VanDerWaalsContact O-N 3.1Å; M61-C64 PolarHBondContact O-N 3.4Å; M61-A65 PolarHBondContact O-N 3.47Å
62A74.5Confident75Confident45 Ų4578.5 Ų78.537%0.37240%0.396SS..G310 helixtrans-57.7-28.6-173.200000114.3C64 A65A62-C64 VanDerWaalsContact C-N 3.27Å; A62-C64 PolarHBondContact O-N 3Å; A62-A65 WeakPolarHBondContact O-CB 3.14Å; A62-A65 PolarHBondContact O-N 3.45Å
63E72.5Confident74.2Confident161 Ų16179 Ų7975%0.75240%0.402SS*.G310 helixtrans-67.8-22.9176.5-66-177.2-175.500113.7M61 K1605M61-E63 PolarHBondContact O-N 2.97Å; M61-E63 VanDerWaalsContact O-N 3.1Å; E63-K1605 IonicContact OE1-NZ 3.73Å; E63-K1605 PolarHBondContact OE1-NZ 2.95Å; E63-K1605 IonicContact OE2-NZ 2.93Å; E63-K1605 PolarHBondContact OE2-NZ 2.86Å
64C72.4Confident73.1Confident51 Ų5174.2 Ų74.235%0.34538%0.383SS..G310 helixtrans-100.6-3.3177.8-61.20000112.9M61 A62 E66 E67 I68M61-C64 PolarHBondContact O-N 3.4Å; A62-C64 VanDerWaalsContact C-N 3.27Å; A62-C64 PolarHBondContact O-N 3Å; C64-E66 VanDerWaalsContact C-N 3.34Å; C64-E66 PolarHBondContact O-N 3.1Å; C64-E67 PolarHBondContact O-N 3.39Å; C64-E67 VanDerWaalsContact O-N 3.14Å; C64-I68 HydrophobicContact CB-CD1 3.94Å; C64-I68 HydrophobicContact CB-CG1 4.48Å; C64-I68 WeakPolarHBondContact O-CG1 3.43Å; C64-I68 PolarHBondContact O-N 3.19Å
65A74.6Confident72Confident0 Ų076.2 Ų76.20%039%0.394CS..Hα-helixtrans-60.5-40.6-169.700000112.9Y53 C56 M61 A62 I68 I69Y53-A65 HydrophobicContact CD2-CB 3.62Å; Y53-A65 HydrophobicContact CE2-CB 3.87Å; C56-A65 HydrophobicContact CB-CB 3.59Å; M61-A65 PolarHBondContact O-N 3.47Å; A62-A65 WeakPolarHBondContact O-CB 3.14Å; A62-A65 PolarHBondContact O-N 3.45Å; A65-I68 PolarHBondContact O-N 3.27Å; A65-I69 VanDerWaalsContact O-CB 3.29Å; A65-I69 WeakPolarHBondContact O-CB 3.47Å; A65-I69 WeakPolarHBondContact O-CD1 3.41Å; A65-I69 WeakPolarHBondContact O-CG1 3.41Å; A65-I69 PolarHBondContact O-N 2.96Å
66E74.3Confident70.9Confident147 Ų14779.6 Ų79.669%0.68742%0.417SS*.Hα-helixtrans-64.7-39.1177.8-170.7170.9-151.400111.9C64 N70C64-E66 VanDerWaalsContact C-N 3.34Å; C64-E66 PolarHBondContact O-N 3.1Å; E66-N70 VanDerWaalsContact O-CB 3.25Å; E66-N70 WeakPolarHBondContact O-CB 3.49Å; E66-N70 PolarHBondContact O-N 3.34Å; E66-N70 PolarHBondContact O-ND2 2.93Å
67E73.4Confident69.9Low137 Ų13785.8 Ų85.864%0.6444%0.444SS*.Hα-helixtrans-69.5-38.2176.6-171.3168.4-144.700112.2C64 N70 T71C64-E67 PolarHBondContact O-N 3.39Å; C64-E67 VanDerWaalsContact O-N 3.14Å; E67-N70 PolarHBondContact O-N 2.77Å; E67-T71 WeakPolarHBondContact O-CB 3.33Å; E67-T71 PolarHBondContact O-N 2.72Å; E67-T71 PolarHBondContact O-OG1 3.4Å
68I71.7Confident69.4Low46 Ų4681.8 Ų81.824%0.23644%0.438CS..Hα-helixtrans-67.7-45.4175.7-67.1165.4000111L52 C64 A65 N70 T71 L72L52-I68 HydrophobicContact CD2-CG2 4.27Å; C64-I68 HydrophobicContact CB-CD1 3.94Å; C64-I68 HydrophobicContact CB-CG1 4.48Å; C64-I68 WeakPolarHBondContact O-CG1 3.43Å; C64-I68 PolarHBondContact O-N 3.19Å; A65-I68 PolarHBondContact O-N 3.27Å; I68-N70 VanDerWaalsContact C-N 3.28Å; I68-N70 PolarHBondContact O-N 2.81Å; I68-T71 WeakPolarHBondContact CA-OG1 3.41Å; I68-T71 PolarHBondContact O-N 2.98Å; I68-T71 PolarHBondContact O-OG1 3.33Å; I68-L72 HydrophobicContact CG2-CD1 3.73Å; I68-L72 HydrophobicContact CG2-CG 4.39Å; I68-L72 WeakPolarHBondContact O-CB 3.34Å; I68-L72 WeakPolarHBondContact O-CG 3.47Å; I68-L72 PolarHBondContact O-N 3.39Å
69I76.6Confident69.3Low17 Ų1777.6 Ų77.69%0.08743%0.425CS..Hα-helixtrans-61.6-37.1175.6-74.6164.4000111.3C49 L52 Y53 A65 G73 A74 N75C49-I69 HydrophobicContact CB-CG2 4.08Å; C49-I69 WeakPolarHBondContact O-CD1 3.3Å; L52-I69 HydrophobicContact CB-CD1 4.29Å; L52-I69 HydrophobicContact CB-CG1 3.76Å; L52-I69 HydrophobicContact CD1-CG1 4.4Å; Y53-I69 HydrophobicContact CD2-CD1 4.24Å; A65-I69 VanDerWaalsContact O-CB 3.29Å; A65-I69 WeakPolarHBondContact O-CB 3.47Å; A65-I69 WeakPolarHBondContact O-CD1 3.41Å; A65-I69 WeakPolarHBondContact O-CG1 3.41Å; A65-I69 PolarHBondContact O-N 2.96Å; I69-G73 PolarHBondContact O-N 2.95Å; I69-A74 HydrophobicContact CG2-CB 4.19Å; I69-A74 PolarHBondContact O-N 2.71Å; I69-N75 HydrophobicContact CG2-CB 4.16Å
70N73.2Confident69.4Low75 Ų7572.5 Ų72.540%0.40140%0.398SS..Hα-helixtrans-73.7-37.9176.9-70-22.7000113.1E66 E67 I68 N75E66-N70 VanDerWaalsContact O-CB 3.25Å; E66-N70 WeakPolarHBondContact O-CB 3.49Å; E66-N70 PolarHBondContact O-N 3.34Å; E66-N70 PolarHBondContact O-ND2 2.93Å; E67-N70 PolarHBondContact O-N 2.77Å; I68-N70 VanDerWaalsContact C-N 3.28Å; I68-N70 PolarHBondContact O-N 2.81Å; N70-N75 WeakPolarHBondContact OD1-CB 3.34Å; N70-N75 PolarHBondContact OD1-ND2 3.19Å
71T69.1Low69.9Low102 Ų10267.8 Ų67.863%0.62638%0.375SS*.Hα-helixtrans-77-34.6179.341.70000113.2E67 I68 G73E67-T71 WeakPolarHBondContact O-CB 3.33Å; E67-T71 PolarHBondContact O-N 2.72Å; E67-T71 PolarHBondContact O-OG1 3.4Å; I68-T71 WeakPolarHBondContact CA-OG1 3.41Å; I68-T71 PolarHBondContact O-N 2.98Å; I68-T71 PolarHBondContact O-OG1 3.33Å; T71-G73 VanDerWaalsContact C-N 3.29Å
72L66.3Low70.4Confident45 Ų4564 Ų6424%0.23636%0.356CS..Hα-helixtrans-75.4-16.6172.1-66.7173.9000113.1L52 I68 I80 C88L52-L72 HydrophobicContact CD1-CB 4.42Å; L52-L72 HydrophobicContact CD1-CD1 3.85Å; L52-L72 HydrophobicContact CD2-CD1 3.57Å; L52-L72 HydrophobicContact CG-CD1 4.39Å; I68-L72 HydrophobicContact CG2-CD1 3.73Å; I68-L72 HydrophobicContact CG2-CG 4.39Å; I68-L72 WeakPolarHBondContact O-CB 3.34Å; I68-L72 WeakPolarHBondContact O-CG 3.47Å; I68-L72 PolarHBondContact O-N 3.39Å; L72-I80 HydrophobicContact CB-CD1 3.61Å; L72-I80 WeakPolarHBondContact O-CD1 3.36Å; L72-C88 HydrophobicContact CD2-CB 4.19Å
73G64.5Low70.6Confident15 Ų1566.8 Ų66.816%0.15537%0.365CS..THydrogen-bonded Turntrans86.46.7174.200000115.9I69 T71 N75 T76 K77I69-G73 PolarHBondContact O-N 2.95Å; T71-G73 VanDerWaalsContact C-N 3.29Å; G73-N75 PolarHBondContact O-N 2.92Å; G73-T76 PolarHBondContact O-N 3.47Å; G73-T76 VanDerWaalsContact O-N 3.11Å; G73-T76 PolarHBondContact O-OG1 3.18Å; G73-K77 PolarHBondContact O-N 2.9Å; G73-K77 VanDerWaalsContact O-N 3.16Å
74A60.9Low70.7Confident1 Ų161.9 Ų61.91%0.00834%0.342CS..Hα-helixtrans-58-32.717600000111.9C49 L52 I69 T76 G78 I80C49-A74 HydrophobicContact CB-CB 4.21Å; L52-A74 HydrophobicContact CD1-CB 3.85Å; I69-A74 HydrophobicContact CG2-CB 4.19Å; I69-A74 PolarHBondContact O-N 2.71Å; A74-T76 PolarHBondContact O-N 3.06Å; A74-T76 VanDerWaalsContact O-N 3.12Å; A74-G78 WeakPolarHBondContact O-CA 3.42Å; A74-G78 PolarHBondContact O-N 2.82Å; A74-I80 HydrophobicContact CB-CD1 3.77Å; A74-I80 HydrophobicContact CB-CG1 4.07Å
75N56.2Low71.1Confident82 Ų8261.5 Ų61.544%0.43933%0.334SS..Hα-helixtrans-59.5-21.2176.775.1-17.8000115.4I69 N70 G73I69-N75 HydrophobicContact CG2-CB 4.16Å; N70-N75 WeakPolarHBondContact OD1-CB 3.34Å; N70-N75 PolarHBondContact OD1-ND2 3.19Å; G73-N75 PolarHBondContact O-N 2.92Å
76T58.2Low71.4Confident114 Ų11463.7 Ų63.770%0.69935%0.346SS*.Hα-helixtrans-122.6-17-169.536.80000113.2G73 A74G73-T76 PolarHBondContact O-N 3.47Å; G73-T76 VanDerWaalsContact O-N 3.11Å; G73-T76 PolarHBondContact O-OG1 3.18Å; A74-T76 PolarHBondContact O-N 3.06Å; A74-T76 VanDerWaalsContact O-N 3.12Å
77K59.9Low71.5Confident135 Ų13559.9 Ų59.959%0.58734%0.336SS*.Hα-helixtrans-105-14.7170.2-68.4-178.5176.8177.50113.9G73 C79 E84G73-K77 PolarHBondContact O-N 2.9Å; G73-K77 VanDerWaalsContact O-N 3.16Å; K77-C79 WeakPolarHBondContact CB-O 3.25Å; K77-C79 PolarHBondContact O-N 3.49Å; K77-C79 VanDerWaalsContact O-N 3.12Å; K77-E84 WeakPolarHBondContact CD-OE1 3.24Å; K77-E84 IonicContact NZ-OE1 2.96Å; K77-E84 PolarHBondContact NZ-OE1 3.11Å
78G69.1Low71.3Confident40 Ų4054.6 Ų54.641%0.41231%0.313SS..SBendtrans82.4-44.3-174.800000112.4D48 A74D48-G78 WeakPolarHBondContact CA-O 3.42Å; A74-G78 WeakPolarHBondContact O-CA 3.42Å; A74-G78 PolarHBondContact O-N 2.82Å
79C71.5Confident71.6Confident50 Ų5056.3 Ų56.334%0.33832%0.317SS..EExtended strand (participates in β ladder)trans-140162174.661.50000112.1C46 L47 D48 K77C46-C79 HydrophobicContact CB-CB 3.75Å; L47-C79 CarbonylContact O-C 3.59Å; L47-C79 WeakPolarHBondContact O-CA 3.48Å; D48-C79 HydrophobicContact CB-CB 4.31Å; K77-C79 WeakPolarHBondContact CB-O 3.25Å; K77-C79 PolarHBondContact O-N 3.49Å; K77-C79 VanDerWaalsContact O-N 3.12Å
80I77.5Confident71.4Confident8 Ų861.6 Ų61.64%0.04134%0.341CS..EExtended strand (participates in β ladder)trans-120.5121.4-179.9-62.4170.7000108.4F36 C46 L47 L52 L72 A74 E84 F85F36-I80 WeakPolarHBondContact CZ-O 3.3Å; C46-I80 CarbonylContact C-O 3.6Å; C46-I80 WeakPolarHBondContact CA-O 3.45Å; L47-I80 PolarHBondContact N-O 3.33Å; L47-I80 PolarHBondContact O-N 2.71Å; L52-I80 HydrophobicContact CD1-CD1 3.79Å; L72-I80 HydrophobicContact CB-CD1 3.61Å; L72-I80 WeakPolarHBondContact O-CD1 3.36Å; A74-I80 HydrophobicContact CB-CD1 3.77Å; A74-I80 HydrophobicContact CB-CG1 4.07Å; I80-E84 HydrophobicContact CG2-CB 3.96Å; I80-F85 HydrophobicContact CG2-CB 4.12Å
81T81.4Confident71.2Confident54 Ų5464.7 Ų64.733%0.33135%0.351SS..EExtended strand (participates in β ladder)trans-76.5160175.258.30000112D83 E84 F85T81-D83 VanDerWaalsContact C-N 3.27Å; T81-D83 PolarHBondContact O-N 3.47Å; T81-E84 PolarHBondContact N-OE2 3.36Å; T81-E84 VanDerWaalsContact N-OE2 3.11Å; T81-E84 PolarHBondContact O-N 3.32Å; T81-E84 VanDerWaalsContact O-N 3.09Å; T81-E84 VanDerWaalsContact OG1-CG 3.27Å; T81-E84 WeakPolarHBondContact OG1-CG 3.31Å; T81-E84 PolarHBondContact OG1-OE2 3.06Å; T81-F85 PolarHBondContact O-N 3.35Å
82F80.9Confident71.2Confident18 Ų1863.9 Ų63.98%0.07935%0.346CS..Hα-helixtrans-56.4-38.7178.8-177.7-104.7000113.3E29 L32 R33 F36 E84 F85 L86E29-F82 HydrophobicContact CG-CE1 4.21Å; E29-F82 HydrophobicContact CG-CZ 4.2Å; L32-F82 HydrophobicContact CB-CE2 4.21Å; L32-F82 HydrophobicContact CB-CZ 4.24Å; R33-F82 HydrophobicContact CB-CE2 4.33Å; R33-F82 HydrophobicContact CB-CZ 4.3Å; R33-F82 HydrophobicContact CG-CD1 4.28Å; R33-F82 HydrophobicContact CG-CD2 4.33Å; R33-F82 HydrophobicContact CG-CE1 3.61Å; R33-F82 HydrophobicContact CG-CE2 3.71Å; R33-F82 HydrophobicContact CG-CZ 3.3Å; F36-F82 HydrophobicContact CB-CD2 3.94Å; F36-F82 HydrophobicContact CB-CE2 4.23Å; F36-F82 HydrophobicContact CD1-CD2 4.36Å; F36-F82 AromaticContact CD2-CD2 3.85Å; F36-F82 HydrophobicContact CD2-CD2 3.85Å; F36-F82 HydrophobicContact CE1-CB 4.49Å; F36-F82 HydrophobicContact CE2-CB 4.32Å; F36-F82 HydrophobicContact CE2-CD2 4.41Å; F36-F82 AromaticContact CG-CD2 3.82Å; F36-F82 HydrophobicContact CG-CD2 3.82Å; F36-F82 HydrophobicContact CZ-CB 4.28Å; F82-E84 VanDerWaalsContact C-N 3.34Å; F82-F85 HydrophobicContact CE2-CD1 4.49Å; F82-F85 WeakPolarHBondContact O-CB 3.44Å; F82-F85 PolarHBondContact O-N 3.48Å; F82-L86 HydrophobicContact CD1-CD1 3.97Å; F82-L86 HydrophobicContact CD1-CG 4.37Å; F82-L86 HydrophobicContact CE1-CD1 3.39Å; F82-L86 HydrophobicContact CE1-CG 3.88Å; F82-L86 HydrophobicContact CZ-CD1 3.88Å; F82-L86 HydrophobicContact CZ-CD2 4.21Å; F82-L86 HydrophobicContact CZ-CG 3.94Å; F82-L86 PolarHBondContact O-N 3.27Å
83D77.6Confident71.2Confident104 Ų10467.8 Ų67.856%0.55636%0.361SS*.Hα-helixtrans-71.3-30.6179.3-58.4-29.1000111.9T81 S87T81-D83 VanDerWaalsContact C-N 3.27Å; T81-D83 PolarHBondContact O-N 3.47Å; D83-S87 WeakPolarHBondContact O-CB 3.41Å; D83-S87 PolarHBondContact O-N 2.67Å; D83-S87 PolarHBondContact O-OG 3.02Å
84E76.6Confident71.2Confident59 Ų5972.4 Ų72.428%0.27638%0.378SS..Hα-helixtrans-74.3-34.6170.9-71.4173.3123.800112.2K77 I80 T81 F82 S87 C88K77-E84 WeakPolarHBondContact CD-OE1 3.24Å; K77-E84 IonicContact NZ-OE1 2.96Å; K77-E84 PolarHBondContact NZ-OE1 3.11Å; I80-E84 HydrophobicContact CG2-CB 3.96Å; T81-E84 PolarHBondContact N-OE2 3.36Å; T81-E84 VanDerWaalsContact N-OE2 3.11Å; T81-E84 PolarHBondContact O-N 3.32Å; T81-E84 VanDerWaalsContact O-N 3.09Å; T81-E84 VanDerWaalsContact OG1-CG 3.27Å; T81-E84 WeakPolarHBondContact OG1-CG 3.31Å; T81-E84 PolarHBondContact OG1-OE2 3.06Å; F82-E84 VanDerWaalsContact C-N 3.34Å; E84-S87 PolarHBondContact O-N 3.01Å; E84-C88 VanDerWaalsContact O-CB 3.28Å; E84-C88 WeakPolarHBondContact O-CB 3.44Å; E84-C88 PolarHBondContact O-N 3Å
85F80.8Confident71Confident43 Ų4378.1 Ų78.119%0.18941%0.407CS..Hα-helixtrans-64.5-42.6171.5175.4-100.6000111.4L32 F36 I80 T81 F82 C88 R89L32-F85 HydrophobicContact CD2-CE1 4.22Å; F36-F85 HydrophobicContact CD2-CB 4Å; F36-F85 AromaticContact CD2-CD1 3.94Å; F36-F85 HydrophobicContact CD2-CD1 3.94Å; F36-F85 HydrophobicContact CD2-CD2 4.46Å; F36-F85 AromaticContact CD2-CG 3.88Å; F36-F85 HydrophobicContact CD2-CG 3.88Å; F36-F85 HydrophobicContact CE2-CB 3.82Å; F36-F85 HydrophobicContact CE2-CG 4.19Å; I80-F85 HydrophobicContact CG2-CB 4.12Å; T81-F85 PolarHBondContact O-N 3.35Å; F82-F85 HydrophobicContact CE2-CD1 4.49Å; F82-F85 WeakPolarHBondContact O-CB 3.44Å; F82-F85 PolarHBondContact O-N 3.48Å; F85-C88 PolarHBondContact O-N 3.27Å; F85-R89 WeakPolarHBondContact O-CB 3.39Å; F85-R89 PolarHBondContact O-N 3.36Å
86L79.1Confident70.9Confident45 Ų4579.1 Ų79.124%0.23641%0.409CS..Hα-helixtrans-61.7-46.6170-77.3178.6000111.9E29 L32 F82 C88 R89 E90E29-L86 HydrophobicContact CG-CD1 4.47Å; L32-L86 HydrophobicContact CD1-CD2 4.19Å; F82-L86 HydrophobicContact CD1-CD1 3.97Å; F82-L86 HydrophobicContact CD1-CG 4.37Å; F82-L86 HydrophobicContact CE1-CD1 3.39Å; F82-L86 HydrophobicContact CE1-CG 3.88Å; F82-L86 HydrophobicContact CZ-CD1 3.88Å; F82-L86 HydrophobicContact CZ-CD2 4.21Å; F82-L86 HydrophobicContact CZ-CG 3.94Å; F82-L86 PolarHBondContact O-N 3.27Å; L86-C88 VanDerWaalsContact C-N 3.26Å; L86-C88 PolarHBondContact O-N 3.36Å; L86-R89 WeakPolarHBondContact O-CB 3.24Å; L86-R89 PolarHBondContact O-N 3.37Å; L86-E90 WeakPolarHBondContact O-CB 3.3Å; L86-E90 PolarHBondContact O-N 3.16Å
87S76.8Confident70.7Confident68 Ų6876.6 Ų76.648%0.47639%0.393SS..Hα-helixtrans-60.5-35.8176.4-59.40000112.1D83 E84 K91D83-S87 WeakPolarHBondContact O-CB 3.41Å; D83-S87 PolarHBondContact O-N 2.67Å; D83-S87 PolarHBondContact O-OG 3.02Å; E84-S87 PolarHBondContact O-N 3.01Å; S87-K91 WeakPolarHBondContact O-CB 3.48Å; S87-K91 PolarHBondContact O-N 2.68Å
88C70.3Confident70.3Confident26 Ų2675.7 Ų75.718%0.17639%0.391CS..Hα-helixtrans-77.3-36.7177.8-145.40000111.7L72 E84 F85 L86 K91 V92L72-C88 HydrophobicContact CD2-CB 4.19Å; E84-C88 VanDerWaalsContact O-CB 3.28Å; E84-C88 WeakPolarHBondContact O-CB 3.44Å; E84-C88 PolarHBondContact O-N 3Å; F85-C88 PolarHBondContact O-N 3.27Å; L86-C88 VanDerWaalsContact C-N 3.26Å; L86-C88 PolarHBondContact O-N 3.36Å; C88-K91 PolarHBondContact O-N 3.04Å; C88-V92 WeakPolarHBondContact O-CB 3.4Å; C88-V92 VanDerWaalsContact O-CG2 3.29Å; C88-V92 WeakPolarHBondContact O-CG2 3.49Å; C88-V92 PolarHBondContact O-N 2.6Å
89R77Confident69.2Low81 Ų8175.9 Ų75.931%0.30639%0.389SS..Hα-helixtrans-55.5-53.1167.5177.4-165176.9-153.62.1110.2E28 F85 L86 K91 V92 F93E28-R89 VanDerWaalsContact CD-NH2 3.28Å; E28-R89 IonicContact OE1-NH2 2.76Å; E28-R89 PolarHBondContact OE1-NH2 3.49Å; E28-R89 IonicContact OE2-CZ 3.14Å; E28-R89 IonicContact OE2-NH1 2.71Å; E28-R89 PolarHBondContact OE2-NH1 3.05Å; E28-R89 IonicContact OE2-NH2 3.42Å; E28-R89 PolarHBondContact OE2-NH2 3.17Å; F85-R89 WeakPolarHBondContact O-CB 3.39Å; F85-R89 PolarHBondContact O-N 3.36Å; L86-R89 WeakPolarHBondContact O-CB 3.24Å; L86-R89 PolarHBondContact O-N 3.37Å; R89-K91 VanDerWaalsContact C-N 3.32Å; R89-K91 PolarHBondContact O-N 3.29Å; R89-V92 PolarHBondContact O-N 3.03Å; R89-F93 HydrophobicContact CG-CD2 4.02Å; R89-F93 HydrophobicContact CG-CE2 4.22Å; R89-F93 WeakPolarHBondContact O-CD2 3.47Å; R89-F93 PolarHBondContact O-N 2.79Å
90E71.5Confident67.8Low129 Ų12977 Ų7760%0.60339%0.391SS*.Hα-helixtrans-58.7-45.2178.9-175.8173.8-140.100110.7L86 V92 F93 Q94L86-E90 WeakPolarHBondContact O-CB 3.3Å; L86-E90 PolarHBondContact O-N 3.16Å; E90-V92 PolarHBondContact O-N 3.46Å; E90-F93 CarbonylContact O-C 3.48Å; E90-F93 WeakPolarHBondContact O-CB 3.31Å; E90-F93 PolarHBondContact O-N 3.07Å; E90-Q94 WeakPolarHBondContact O-CB 3.09Å; E90-Q94 PolarHBondContact O-N 2.83Å
91K70.4Confident65.9Low140 Ų14081.6 Ų81.661%0.60942%0.416SS*.Hα-helixtrans-66.3-32.4177.5-162.2175-170.4179.90113.9S87 C88 R89 Q94 M95S87-K91 WeakPolarHBondContact O-CB 3.48Å; S87-K91 PolarHBondContact O-N 2.68Å; C88-K91 PolarHBondContact O-N 3.04Å; R89-K91 VanDerWaalsContact C-N 3.32Å; R89-K91 PolarHBondContact O-N 3.29Å; K91-Q94 WeakPolarHBondContact O-CB 3.49Å; K91-Q94 PolarHBondContact O-N 3.23Å; K91-M95 WeakPolarHBondContact O-CB 3.04Å; K91-M95 WeakPolarHBondContact O-CG 3.49Å; K91-M95 PolarHBondContact O-N 3.35Å
92V69.1Low64Low84 Ų8483.4 Ų83.451%0.50942%0.423SS..Hα-helixtrans-73.4-37.3172.1168.70000110.9C88 R89 E90 Q94 M95 Q96C88-V92 WeakPolarHBondContact O-CB 3.4Å; C88-V92 VanDerWaalsContact O-CG2 3.29Å; C88-V92 WeakPolarHBondContact O-CG2 3.49Å; C88-V92 PolarHBondContact O-N 2.6Å; R89-V92 PolarHBondContact O-N 3.03Å; E90-V92 PolarHBondContact O-N 3.46Å; V92-Q94 VanDerWaalsContact C-N 3.31Å; V92-M95 CarbonylContact O-C 3.59Å; V92-M95 PolarHBondContact O-N 3.48Å; V92-Q96 WeakPolarHBondContact O-CB 3.47Å; V92-Q96 PolarHBondContact O-N 2.75Å
93F66.7Low61.9Low128 Ų12891.1 Ų91.156%0.56145%0.452SS*.Hα-helixtrans-65.1-34.7168.6-94-90.1000112.1R89 E90 Q96 T97R89-F93 HydrophobicContact CG-CD2 4.02Å; R89-F93 HydrophobicContact CG-CE2 4.22Å; R89-F93 WeakPolarHBondContact O-CD2 3.47Å; R89-F93 PolarHBondContact O-N 2.79Å; E90-F93 CarbonylContact O-C 3.48Å; E90-F93 WeakPolarHBondContact O-CB 3.31Å; E90-F93 PolarHBondContact O-N 3.07Å; F93-Q96 PolarHBondContact O-N 3.34Å; F93-T97 WeakPolarHBondContact O-CB 3.45Å; F93-T97 WeakPolarHBondContact O-CG2 3.45Å; F93-T97 PolarHBondContact O-N 3.47Å; F93-T97 PolarHBondContact O-OG1 3.25Å
94Q62.6Low59.7Low111 Ų11193 Ų9352%0.51946%0.456SS..Hα-helixtrans-67.1-44.2173-150.38688.800110.7E90 K91 V92 T97 E98E90-Q94 WeakPolarHBondContact O-CB 3.09Å; E90-Q94 PolarHBondContact O-N 2.83Å; K91-Q94 WeakPolarHBondContact O-CB 3.49Å; K91-Q94 PolarHBondContact O-N 3.23Å; V92-Q94 VanDerWaalsContact C-N 3.31Å; Q94-T97 WeakPolarHBondContact CA-OG1 3.32Å; Q94-T97 PolarHBondContact O-N 2.81Å; Q94-T97 PolarHBondContact O-OG1 3.38Å; Q94-E98 WeakPolarHBondContact O-CB 3.34Å; Q94-E98 WeakPolarHBondContact O-CG 3.32Å; Q94-E98 PolarHBondContact O-N 2.75Å
95M57.9Low57.5Low122 Ų12293.7 Ų93.760%0.60147%0.472SS*.Hα-helixtrans-70.6-29.1175.4-75.6-176.96500113.1K91 V92 A99K91-M95 WeakPolarHBondContact O-CB 3.04Å; K91-M95 WeakPolarHBondContact O-CG 3.49Å; K91-M95 PolarHBondContact O-N 3.35Å; V92-M95 CarbonylContact O-C 3.59Å; V92-M95 PolarHBondContact O-N 3.48Å; M95-A99 WeakPolarHBondContact O-CB 3.35Å; M95-A99 PolarHBondContact O-N 2.87Å
96Q53.2Low55.1Low103 Ų10399.9 Ų99.948%0.48150%0.499SS..Hα-helixtrans-70.8-47.9171.6-173.66355.100110.1V92 F93 E98 A99 D100V92-Q96 WeakPolarHBondContact O-CB 3.47Å; V92-Q96 PolarHBondContact O-N 2.75Å; F93-Q96 PolarHBondContact O-N 3.34Å; Q96-E98 VanDerWaalsContact C-N 3.31Å; Q96-E98 PolarHBondContact O-N 3.29Å; Q96-A99 PolarHBondContact O-N 3.16Å; Q96-A99 VanDerWaalsContact O-N 3.11Å; Q96-D100 PolarHBondContact NE2-OD1 3.21Å; Q96-D100 WeakPolarHBondContact O-CB 3.47Å; Q96-D100 PolarHBondContact O-N 2.89Å
97T55.3Low52.6Low60 Ų60100 Ų10037%0.36850%0.503SS..Hα-helixtrans-67.4-28.7175.349.90000112.8F93 Q94 N101F93-T97 WeakPolarHBondContact O-CB 3.45Å; F93-T97 WeakPolarHBondContact O-CG2 3.45Å; F93-T97 PolarHBondContact O-N 3.47Å; F93-T97 PolarHBondContact O-OG1 3.25Å; Q94-T97 WeakPolarHBondContact CA-OG1 3.32Å; Q94-T97 PolarHBondContact O-N 2.81Å; Q94-T97 PolarHBondContact O-OG1 3.38Å; T97-N101 WeakPolarHBondContact O-CB 3.5Å; T97-N101 VanDerWaalsContact O-CG 3.24Å; T97-N101 PolarHBondContact O-N 3.15Å; T97-N101 PolarHBondContact O-ND2 3.33Å
98E50.8Low50.3Low117 Ų11799.6 Ų99.655%0.54751%0.51SS..Hα-helixtrans-72.9-37.2167-78.6-167.3140.800112.2Q94 Q96 N101 I102Q94-E98 WeakPolarHBondContact O-CB 3.34Å; Q94-E98 WeakPolarHBondContact O-CG 3.32Å; Q94-E98 PolarHBondContact O-N 2.75Å; Q96-E98 VanDerWaalsContact C-N 3.31Å; Q96-E98 PolarHBondContact O-N 3.29Å; E98-N101 CarbonylContact O-C 3.53Å; E98-N101 PolarHBondContact O-N 3.25Å; E98-I102 WeakPolarHBondContact O-CB 3.23Å; E98-I102 WeakPolarHBondContact O-CD1 3.23Å; E98-I102 WeakPolarHBondContact O-CG1 3.47Å; E98-I102 PolarHBondContact O-N 3.04Å
99A46.4Very low48.3Very low44 Ų44105.5 Ų105.536%0.36454%0.539SS..Hα-helixtrans-66.1-42.7175.100000111.7M95 Q96 I102 Y103M95-A99 WeakPolarHBondContact O-CB 3.35Å; M95-A99 PolarHBondContact O-N 2.87Å; Q96-A99 PolarHBondContact O-N 3.16Å; Q96-A99 VanDerWaalsContact O-N 3.11Å; A99-I102 CarbonylContact O-C 3.57Å; A99-I102 PolarHBondContact O-N 3.43Å; A99-Y103 PolarHBondContact O-N 3.34Å
100D41.2Very low45.9Very low74 Ų74105.8 Ų105.840%0.39655%0.554SS.*Hα-helixtrans-65.1-45.1174.6-61.3-21.3000110.1Q96 I102 Y103 F104Q96-D100 PolarHBondContact NE2-OD1 3.21Å; Q96-D100 WeakPolarHBondContact O-CB 3.47Å; Q96-D100 PolarHBondContact O-N 2.89Å; D100-I102 VanDerWaalsContact C-N 3.32Å; D100-I102 PolarHBondContact O-N 3.43Å; D100-Y103 VanDerWaalsContact O-CB 3.3Å; D100-Y103 WeakPolarHBondContact O-CB 3.35Å; D100-Y103 PolarHBondContact O-N 3.06Å; D100-Y103 VanDerWaalsContact O-N 3.17Å; D100-F104 WeakPolarHBondContact O-CD2 3.4Å; D100-F104 PolarHBondContact O-N 3.33Å
101N38.3Very low43.6Very low104 Ų104106.4 Ų106.456%0.55656%0.561SS**Hα-helixtrans-66.7-28.3173-80.4-53000113.2T97 E98 F104 A105T97-N101 WeakPolarHBondContact O-CB 3.5Å; T97-N101 VanDerWaalsContact O-CG 3.24Å; T97-N101 PolarHBondContact O-N 3.15Å; T97-N101 PolarHBondContact O-ND2 3.33Å; E98-N101 CarbonylContact O-C 3.53Å; E98-N101 PolarHBondContact O-N 3.25Å; N101-F104 CarbonylContact O-C 3.59Å; N101-F104 PolarHBondContact O-N 3.32Å; N101-A105 WeakPolarHBondContact O-CB 3.31Å; N101-A105 PolarHBondContact O-N 2.93Å
102I42.3Very low41.6Very low92 Ų92108.7 Ų108.747%0.47257%0.573SS.*Hα-helixtrans-76-28.4173.2-75.5164.4000110.8E98 A99 D100 K106E98-I102 WeakPolarHBondContact O-CB 3.23Å; E98-I102 WeakPolarHBondContact O-CD1 3.23Å; E98-I102 WeakPolarHBondContact O-CG1 3.47Å; E98-I102 PolarHBondContact O-N 3.04Å; A99-I102 CarbonylContact O-C 3.57Å; A99-I102 PolarHBondContact O-N 3.43Å; D100-I102 VanDerWaalsContact C-N 3.32Å; D100-I102 PolarHBondContact O-N 3.43Å; I102-K106 HydrophobicContact CG2-CD 4.38Å; I102-K106 WeakPolarHBondContact O-CB 3.46Å; I102-K106 WeakPolarHBondContact O-CG 3.11Å; I102-K106 PolarHBondContact O-N 3.38Å; I102-K106 VanDerWaalsContact O-N 3.13Å
103Y34.9Very low39.6Very low179 Ų179113.1 Ų113.170%0.70259%0.589SS**Hα-helixtrans-64.8-48.9166.5-121.9-91.4000110.6A99 D100 A105 K106A99-Y103 PolarHBondContact O-N 3.34Å; D100-Y103 VanDerWaalsContact O-CB 3.3Å; D100-Y103 WeakPolarHBondContact O-CB 3.35Å; D100-Y103 PolarHBondContact O-N 3.06Å; D100-Y103 VanDerWaalsContact O-N 3.17Å; Y103-A105 VanDerWaalsContact C-N 3.34Å; Y103-A105 PolarHBondContact O-N 3.32Å; Y103-K106 PolarHBondContact O-N 3.02Å
104F31.5Very low37.6Very low143 Ų143114.1 Ų114.163%0.62760%0.598SS**Hα-helixtrans-67.1-26.3174.3-87.4-77.8000114.3D100 N101 S107D100-F104 WeakPolarHBondContact O-CD2 3.4Å; D100-F104 PolarHBondContact O-N 3.33Å; N101-F104 CarbonylContact O-C 3.59Å; N101-F104 PolarHBondContact O-N 3.32Å; F104-S107 PolarHBondContact O-OG 3.4Å
105A31.8Very low35.8Very low75 Ų75118.9 Ų118.962%0.6261%0.613SS**Hα-helixtrans-87.3-12178.400000113.8N101 Y103N101-A105 WeakPolarHBondContact O-CB 3.31Å; N101-A105 PolarHBondContact O-N 2.93Å; Y103-A105 VanDerWaalsContact C-N 3.34Å; Y103-A105 PolarHBondContact O-N 3.32Å
106K30.5Very low34.4Very low172 Ų172123.1 Ų123.175%0.74863%0.628SS**Hα-helixtrans-94-8.2176.7-85.1-176.1172.4177.80114.7I102 Y103I102-K106 HydrophobicContact CG2-CD 4.38Å; I102-K106 WeakPolarHBondContact O-CB 3.46Å; I102-K106 WeakPolarHBondContact O-CG 3.11Å; I102-K106 PolarHBondContact O-N 3.38Å; I102-K106 VanDerWaalsContact O-N 3.13Å; Y103-K106 PolarHBondContact O-N 3.02Å
107S26.2Very low33Very low47 Ų47129 Ų12933%0.32965%0.646SS.*SBendtrans-91.64.6172.251.70000114.4F104 D177F104-S107 PolarHBondContact O-OG 3.4Å; S107-D177 WeakPolarHBondContact CB-OD2 3.3Å; S107-D177 PolarHBondContact OG-OD2 3.41Å
108G28.7Very low31.6Very low60 Ų60131.7 Ų131.762%0.61967%0.667SS**  trans-82.4142.3177.200000114.9
109L28.3Very low30.4Very low150 Ų150129.9 Ų129.979%0.78568%0.68SS**  trans-81.7135.8-173.3-118.599000115.3
110S25.8Very low29.5Very low88 Ų88135.6 Ų135.662%0.61570%0.703SS**  trans59.6119143.964.30000121.9
111N24.8Very low28.7Very low141 Ų141136.8 Ų136.875%0.75472%0.717SS**  trans51.787.4131.5-60-12.7000119.3
112H26.5Very low28Very low188 Ų188142.9 Ų142.987%0.8773%0.733SS**  trans-127.8158137.1-114.448.4000112.4
113Q28.6Very low27.4Very low178 Ų178144 Ų14483%0.83275%0.747SS**  trans-79.5158.5-144.8-69.2164.9-51.400116.2
114I23.7Very low27Very low148 Ų148137.9 Ų137.976%0.75974%0.739SS**SBendtrans-54151.1167.4-47.9173.6000110.5
115Y24.5Very low26.8Very low212 Ų212139.1 Ų139.183%0.83175%0.747SS**  trans81.483.7173.7-60.3-77.2000118.1
116K29Very low26.6Very low211 Ų211140.2 Ų140.292%0.91775%0.746SS**  -153.7130.4106.6-115.1169.6-173.3173.80116
117R24.5Very low26.8Very low227 Ų227138.5 Ų138.586%0.85775%0.75SS**  trans-57.1132.3171170.7-173.9-173.9175.44.3113.6
118S24.8Very low26.8Very low115 Ų115142.4 Ų142.480%0.80477%0.767SS**  trans51.9123149.1-490000120.2
119G26.9Very low26.9Very low79 Ų79148.3 Ų148.381%0.81478%0.776SS**  trans163.4121.3160.100000112.6
120L26.8Very low27Very low164 Ų164148.5 Ų148.586%0.85978%0.776SS**  trans-74.6150179-83.3161.6000112.6
121S24.9Very low27.1Very low99 Ų99152.2 Ų152.269%0.69278%0.783SS**  trans-34.8140155.9171.60000113.5
122W23.6Very low27.3Very low232 Ų232149.4 Ų149.488%0.87978%0.779SS**  trans-134.6106.4148.6-84.190.2000110.8
123C30.4Very low27.3Very low115 Ų115151.2 Ų151.278%0.77778%0.778SS**  trans-72.1157.3153.1-168.90000109.4
124G26.4Very low27.3Very low52 Ų52147.6 Ų147.654%0.53677%0.768SS.*  trans171.2167.1176.900000110.1
125H27.3Very low27.6Very low169 Ų169148.3 Ų148.378%0.78277%0.768SS**  cis-162.7165.238.2-80.170.8000109.1
126T27.4Very low27.8Very low98 Ų98144 Ų14460%0.60176%0.76SS**  cis-179.5155.7-17.635.40000107.9
127T33Very low27.8Very low136 Ų136141.2 Ų141.283%0.83476%0.755SS**  trans-146.6112.6138.340.50000110
128N27.7Very low28Very low128 Ų128134.1 Ų134.168%0.68475%0.753SS**  71.3123.274-78.4-50.4000112.8
129K31.1Very low28.2Very low185 Ų185137.8 Ų137.880%0.80476%0.757SS**  cis-139.2170.322.7-79.1140.2-178.3171.60110.3
130I30Very low28Very low154 Ų154142.3 Ų142.379%0.7976%0.757SS**  -157.8121.363.1-73.8171.9000108.3
131H26.7Very low28.1Very low166 Ų166139.7 Ų139.777%0.76975%0.748SS**  45.6132111.6-9563.2000117.1
132A30.2Very low28.2Very low81 Ų81142.4 Ų142.467%0.66976%0.755SS**  cis-146.3141.71200000110.4
133R26.6Very low28.3Very low226 Ų226138.3 Ų138.385%0.85375%0.745SS**  64.3130.287.2-136.4-167.5176.3-172.40.3111.6
134V27.2Very low28.2Very low103 Ų103140.1 Ų140.162%0.62475%0.747SS**  -164.3146.1561710000112.9
135Q30.5Very low28.3Very low162 Ų162143.4 Ų143.476%0.75776%0.762SS**  trans80.3124154.8-83.7161.87.600124.4
136N29.7Very low28.2Very low123 Ų123141.4 Ų141.466%0.65876%0.761SS**  trans71.9137.9137.8-57.5-6.9000120.7
137N28.4Very low28.2Very low151 Ų151147 Ų14781%0.80777%0.772SS**  cis-159.7143.5-16.4-112.1-6.7000109.6
138G28.6Very low28.1Very low79 Ų79149.1 Ų149.181%0.81477%0.769SS**  trans-167.3125.9172.700000109.2
139Q28.8Very low28.1Very low192 Ų192151.1 Ų151.190%0.89778%0.776SS**  trans-133.991-163.5-173.5177.3-2000111.7
140E23.5Very low27.9Very low174 Ų174148.3 Ų148.381%0.81377%0.77SS**  trans-71.4169.9144.3-54.8-176137.700107.6
141V28.2Very low27.8Very low109 Ų109147.7 Ų147.766%0.66176%0.764SS**  cis-150.215525.4-177.70000108E143V141-E143 HydrophobicContact CG1-CG 3.7Å
142N27.9Very low27.8Very low156 Ų156145 Ų14583%0.83476%0.755SS**  trans-143128.9131.7-161.618.8000110.9
143E25.2Very low27.9Very low145 Ų145145.1 Ų145.168%0.67874%0.743SS**  trans-88.6160.3-179.4-52.4177.6137.200110.4V141V141-E143 HydrophobicContact CG1-CG 3.7Å
144N26.8Very low28Very low153 Ų153138.7 Ų138.782%0.81873%0.726SS**  trans-170.381.5144.8-103.3-39.6000112.4
145S30.3Very low28.1Very low121 Ų121139.5 Ų139.585%0.84673%0.726SS**  trans167.680.6141.1-78.30000112.2
146V25.1Very low28Very low128 Ų128139.2 Ų139.278%0.77673%0.725SS**  trans-144.3127165.8-1740000109.6
147R26.7Very low28Very low216 Ų216137.7 Ų137.782%0.81572%0.724SS**  trans156.7133.7136.8-87.8165.6-165.4-1614.7113.4
148K30.7Very low28Very low180 Ų180136.2 Ų136.278%0.78373%0.726SS**  trans70.4151.1151.2-67.4176.8168-166.40116.8
149M27.2Very low27.8Very low170 Ų170136.4 Ų136.484%0.83772%0.72SS**  cis-138.7-178.4-0.5-133174.8-4700112.2
150N27.2Very low27.8Very low125 Ų125133 Ų13367%0.66872%0.717SS**  trans-105.9165-155-154.419.7000114.2
151E28Very low27.8Very low141 Ų141133.5 Ų133.566%0.65972%0.719SS**  trans63.1108.4148.7-80.5162.7-161.800122.2
152N27.4Very low27.7Very low111 Ų111134.5 Ų134.559%0.59473%0.726SS**  96.3118.5109.4-74.92.7000123.8
153I32.4Very low27.7Very low82 Ų82132.6 Ų132.642%0.42172%0.724SS.*  73.7120.7128.1-58.8168.6000115.6N1199I153-N1199 WeakPolarHBondContact CG2-OD1 3.09Å
154N29.2Very low27.8Very low91 Ų91131.6 Ų131.649%0.48772%0.723SS.*  -154.4167.567.2-146.48.9000118.6
155L28.1Very low27.8Very low121 Ų121130.9 Ų130.963%0.63472%0.724SS**  trans-47.4176.7165-59.8159.7000114.6
156E29.7Very low27.7Very low155 Ų155132.8 Ų132.872%0.72473%0.725SS**  cis-141.2149.411.2-118.6112.3-173.500108.5
157S28.8Very low27.8Very low91 Ų91129.7 Ų129.764%0.63671%0.709SS**  cis82.6140.135.6-1520000116.3
158S27.4Very low27.9Very low121 Ų121123.6 Ų123.685%0.84671%0.713SS**  trans-168.871.5164.8-76.90000105.8
159A25.5Very low27.9Very low83 Ų83119.2 Ų119.269%0.68671%0.711SS**  76.8100.580.700000111.9
160S27.7Very low28.1Very low119 Ų119117.3 Ų117.383%0.83270%0.7SS**  trans-146.436.9162.6690000111.9
161E24.8Very low28.6Very low185 Ų185122.6 Ų122.686%0.86471%0.712SS**  trans-102.384.5152.9-80.1-166.7138.500108.2
162T25.2Very low29.3Very low130 Ų130119.2 Ų119.280%0.79870%0.698SS**  trans-141.454.8171.458.10000111
163S28Very low30.1Very low116 Ų116119 Ų11981%0.81171%0.706SS**  trans-159.537.8161.668.80000113.6
164L26.8Very low30.6Very low125 Ų125117.1 Ų117.165%0.65471%0.707SS**  trans-101.451.2177.3-162.990.4000112.5
165V26.9Very low31.2Very low138 Ų138115.1 Ų115.184%0.83670%0.702SS**SBendtrans-142.267.7163.8-167.10000110.3
166N28.4Very low32Very low161 Ų161116.2 Ų116.286%0.86170%0.704SS**  trans-163.332.1138.5-120.1-8.3000113.6G168N166-G168 VanDerWaalsContact C-N 3.29Å; N166-G168 PolarHBondContact O-N 3.02Å
167S28.3Very low32.8Very low62 Ų62112.9 Ų112.943%0.43469%0.692SS.*  trans-75.972.6177.2-65.60000112.7A169 E170S167-A169 PolarHBondContact O-N 2.93Å; S167-E170 WeakPolarHBondContact CB-OE1 3.41Å; S167-E170 PolarHBondContact OG-OE1 2.86Å
168G28.7Very low33.5Very low88 Ų88112 Ų11291%0.90768%0.679SS**THydrogen-bonded Turntrans-71.331.7170.800000114.4N166N166-G168 VanDerWaalsContact C-N 3.29Å; N166-G168 PolarHBondContact O-N 3.02Å
169A30.1Very low34.1Very low89 Ų89110.1 Ų110.174%0.73667%0.665SS**THydrogen-bonded Turntrans-144.59.5-163.500000114.8S167 Y171S167-A169 PolarHBondContact O-N 2.93Å; A169-Y171 PolarHBondContact O-N 3.35Å
170E30.9Very low35.2Very low129 Ų129107.8 Ų107.860%0.60365%0.649SS**  trans-104.847.8-172.8-64.4-172-127.600112.8S167S167-E170 WeakPolarHBondContact CB-OE1 3.41Å; S167-E170 PolarHBondContact OG-OE1 2.86Å
171Y38.1Very low36.2Very low237 Ų237110.2 Ų110.293%0.92965%0.647SS**  trans-140.252172.1-94.6-74.4000112.2A169A169-Y171 PolarHBondContact O-N 3.35Å
172D42.9Very low37.7Very low69 Ų69103.7 Ų103.737%0.36962%0.621SS.*  trans-149.952.1161.2-165.57.8000112.8G174 A175 Q311D172-G174 PolarHBondContact O-N 3.5Å; D172-A175 PolarHBondContact OD1-N 3.14Å; D172-Q311 PolarHBondContact OD2-NE2 3.19Å
173S43.2Very low39.4Very low107 Ų107103.2 Ų103.275%0.74861%0.61SS**  trans-77.3-1.1166.9-60.60000112.7
174G43.2Very low41.6Very low43 Ų4399 Ų9944%0.44358%0.58SS.*G310 helixtrans-81.5-24.2179.400000114D172 Q176D172-G174 PolarHBondContact O-N 3.5Å; G174-Q176 PolarHBondContact O-N 3.38Å; G174-Q176 VanDerWaalsContact O-N 3.1Å
175A43.3Very low44.3Very low48 Ų4894.9 Ų94.940%0.39756%0.558SS.*G310 helixtrans-66.1-10.4-179.800000115.1D172D172-A175 PolarHBondContact OD1-N 3.14Å
176Q43.2Very low47.1Very low145 Ų14590.4 Ų90.468%0.67853%0.528SS*.G310 helixtrans-84.1-19.9-169.2-155.3154.410.800114.3G174 L178 C179G174-Q176 PolarHBondContact O-N 3.38Å; G174-Q176 VanDerWaalsContact O-N 3.1Å; Q176-L178 PolarHBondContact O-N 3.21Å; Q176-C179 VanDerWaalsContact O-CB 3.32Å; Q176-C179 WeakPolarHBondContact O-CB 3.48Å; Q176-C179 PolarHBondContact O-N 2.96Å
177D47.7Very low49.6Very low85 Ų8587.6 Ų87.646%0.45551%0.513SS..G310 helixtrans-67.9-17.3179.8-75.9-6.9000113.7S107 C179S107-D177 WeakPolarHBondContact CB-OD2 3.3Å; S107-D177 PolarHBondContact OG-OD2 3.41Å; D177-C179 PolarHBondContact O-N 2.91Å; D177-C179 VanDerWaalsContact O-N 3.15Å
178L42.7Very low52.1Low73 Ų7386.5 Ų86.538%0.38250%0.502SS..G310 helixtrans-70.4-1.7171.2-62.7179.1000113.6Q176 R300 I303Q176-L178 PolarHBondContact O-N 3.21Å; L178-R300 PolarHBondContact O-NE 3.41Å; L178-R300 PolarHBondContact O-NH1 3.42Å; L178-R300 PolarHBondContact O-NH2 3.4Å; L178-I303 HydrophobicContact CD1-CG2 3.88Å
179C41.3Very low54.6Low81 Ų8183.4 Ų83.455%0.54746%0.464SS..G310 helixtrans-92.61.2177.7-73.60000115.4Q176 D177 E181Q176-C179 VanDerWaalsContact O-CB 3.32Å; Q176-C179 WeakPolarHBondContact O-CB 3.48Å; Q176-C179 PolarHBondContact O-N 2.96Å; D177-C179 PolarHBondContact O-N 2.91Å; D177-C179 VanDerWaalsContact O-N 3.15Å; C179-E181 PolarHBondContact O-N 2.99Å; C179-E181 VanDerWaalsContact O-N 3.11Å
180G48.3Very low57Low33 Ų3383.7 Ų83.734%0.3445%0.45SS..SBendtrans-58.3116.717000000110.7R300G180-R300 PolarHBondContact O-NH1 2.94Å; G180-R300 PolarHBondContact O-NH2 3.38Å
181E49Very low59.3Low171 Ų17184.4 Ų84.480%0.79945%0.447SS*.  trans-42.7136.9-170.1-166.6175.5-172.600113.1C179 Q183C179-E181 PolarHBondContact O-N 2.99Å; C179-E181 VanDerWaalsContact O-N 3.11Å; E181-Q183 PolarHBondContact O-N 2.98Å
182P55Low61.3Low47 Ų4774.4 Ų74.431%0.30541%0.41SS..  trans-56.7113.6-175.223-34.4000110.3S184 V293P182-S184 PolarHBondContact O-N 3.13Å; P182-V293 HydrophobicContact CB-CG1 4.34Å; P182-V293 HydrophobicContact CG-CG1 4.1Å
183Q62.2Low63.3Low121 Ų12175.2 Ų75.257%0.56541%0.41SS*.  trans-62.3100.6-179.1-73-1753.400109.2E181E181-Q183 PolarHBondContact O-N 2.98Å
184S74Confident64.9Low28 Ų2872.9 Ų72.920%0.19639%0.392CS..  trans-51.4139.9173.5-179.60000109.5P182 H186 L187 L188 N289P182-S184 PolarHBondContact O-N 3.13Å; S184-H186 PolarHBondContact O-N 3.5Å; S184-H186 VanDerWaalsContact O-N 3.08Å; S184-H186 WeakPolarHBondContact OG-CB 3.25Å; S184-H186 PolarHBondContact OG-N 3.34Å; S184-L187 WeakPolarHBondContact O-CA 3.37Å; S184-L187 WeakPolarHBondContact O-CB 3.04Å; S184-L187 PolarHBondContact O-N 2.89Å; S184-L188 PolarHBondContact O-N 3.5Å; S184-N289 WeakPolarHBondContact CA-OD1 3.49Å; S184-N289 PolarHBondContact OG-ND2 3.34Å; S184-N289 PolarHBondContact OG-OD1 3.22Å
185L83.3Confident66.6Low37 Ų3775.5 Ų75.519%0.19440%0.397CS..Hα-helixtrans-56-29.1175.3-90.8169.1000111.2L188 M189 F285 A288 N289 H292L185-L188 HydrophobicContact CD2-CD2 4.16Å; L185-L188 PolarHBondContact O-N 3.16Å; L185-M189 WeakPolarHBondContact O-CB 3.32Å; L185-M189 PolarHBondContact O-N 3.41Å; L185-F285 HydrophobicContact CB-CE1 4.2Å; L185-F285 HydrophobicContact CB-CE2 4.4Å; L185-F285 HydrophobicContact CB-CZ 3.82Å; L185-F285 WeakPolarHBondContact O-CZ 3.42Å; L185-A288 HydrophobicContact CD1-CB 4.27Å; L185-N289 HydrophobicContact CB-CB 4.17Å; L185-N289 PolarHBondContact N-OD1 2.96Å; L185-H292 HydrophobicContact CD1-CB 3.89Å; L185-H292 HydrophobicContact CG-CB 4.37Å
186H85.4Confident68.4Low45 Ų4577.4 Ų77.421%0.20840%0.399CS..Hα-helixtrans-52.7-52.6168.5-120.783.9000112S184 Q190 Y197 F201 F285 E286S184-H186 PolarHBondContact O-N 3.5Å; S184-H186 VanDerWaalsContact O-N 3.08Å; S184-H186 WeakPolarHBondContact OG-CB 3.25Å; S184-H186 PolarHBondContact OG-N 3.34Å; H186-Q190 WeakPolarHBondContact O-CB 3.5Å; H186-Q190 PolarHBondContact O-N 3.47Å; H186-Y197 AromaticContact CD2-CE2 3.48Å; H186-Y197 VanDerWaalsContact CD2-CE2 3.48Å; H186-Y197 WeakPolarHBondContact CD2-CE2 3.48Å; H186-Y197 AromaticContact CD2-CZ 3.69Å; H186-Y197 PolarHBondContact CD2-OH 3.31Å; H186-Y197 AromaticContact CG-CE2 3.97Å; H186-Y197 AromaticContact NE2-CE2 3.87Å; H186-Y197 PolarHBondContact NE2-OH 3.49Å; H186-F201 AromaticContact CE1-CD1 3.92Å; H186-F201 AromaticContact CE1-CE1 3.56Å; H186-F201 AromaticContact CE1-CE2 3.81Å; H186-F201 AromaticContact CE1-CZ 3.5Å; H186-F285 HydrophobicContact CB-CE1 4.42Å; H186-F285 AromaticContact ND1-CE1 3.63Å; H186-E286 IonicContact CE1-OE2 2.87Å; H186-E286 PolarHBondContact CE1-OE2 2.93Å; H186-E286 IonicContact ND1-OE1 3.33Å; H186-E286 IonicContact ND1-OE2 3.17Å; H186-E286 PolarHBondContact ND1-OE2 3.48Å
187L80.4Confident70.4Confident102 Ų10272.1 Ų72.153%0.53437%0.374SS..Hα-helixtrans-65.3-41.3176.6-83.5162.4000112.4S184 Q190 R191S184-L187 WeakPolarHBondContact O-CA 3.37Å; S184-L187 WeakPolarHBondContact O-CB 3.04Å; S184-L187 PolarHBondContact O-N 2.89Å; L187-Q190 PolarHBondContact O-N 2.84Å; L187-R191 WeakPolarHBondContact O-CB 3.38Å; L187-R191 PolarHBondContact O-N 2.85Å
188L81.3Confident72Confident39 Ų3974.2 Ų74.220%0.20438%0.378CS..Hα-helixtrans-65.4-48.2-179.5-165.870.9000111.2S184 L185 Q190 R191 D192S184-L188 PolarHBondContact O-N 3.5Å; L185-L188 HydrophobicContact CD2-CD2 4.16Å; L185-L188 PolarHBondContact O-N 3.16Å; L188-Q190 VanDerWaalsContact C-N 3.34Å; L188-Q190 PolarHBondContact O-N 3.25Å; L188-R191 PolarHBondContact O-N 2.79Å; L188-D192 WeakPolarHBondContact O-CB 3.33Å; L188-D192 PolarHBondContact O-N 2.88Å
189M80.6Confident73.7Confident22 Ų2276 Ų7611%0.10839%0.387CS..Hα-helixtrans-69.1-30.9176.7-168.2171.870.600112.3L185 F193 L196 Y197 I200 F201 F285L185-M189 WeakPolarHBondContact O-CB 3.32Å; L185-M189 PolarHBondContact O-N 3.41Å; M189-F193 HydrophobicContact CG-CB 4.19Å; M189-F193 HydrophobicContact CG-CD2 4.41Å; M189-F193 CarbonylContact O-C 3.6Å; M189-F193 VanDerWaalsContact O-CA 3.3Å; M189-F193 WeakPolarHBondContact O-CA 3.23Å; M189-F193 PolarHBondContact O-N 2.72Å; M189-L196 HydrophobicContact SD-CD2 4.44Å; M189-Y197 HydrophobicContact CE-CD2 3.88Å; M189-I200 HydrophobicContact CE-CD1 4.03Å; M189-I200 HydrophobicContact SD-CD1 4.33Å; M189-F201 HydrophobicContact CE-CD2 4.15Å; M189-F201 HydrophobicContact CE-CE2 3.77Å; M189-F285 HydrophobicContact CB-CE2 4.21Å; M189-F285 HydrophobicContact CB-CZ 3.93Å; M189-F285 HydrophobicContact CE-CD2 4Å; M189-F285 HydrophobicContact CE-CE1 4.18Å; M189-F285 HydrophobicContact CE-CE2 3.44Å; M189-F285 VanDerWaalsContact CE-CE2 3.44Å; M189-F285 HydrophobicContact CE-CZ 3.53Å; M189-F285 HydrophobicContact CG-CE2 4.47Å; M189-F285 HydrophobicContact SD-CD2 4.22Å; M189-F285 HydrophobicContact SD-CE2 3.47Å; M189-F285 WeakPolarHBondContact SD-CE2 3.41Å; M189-F285 HydrophobicContact SD-CZ 3.98Å
190Q81Confident75.4Confident96 Ų9673 Ų7345%0.44937%0.365SS..Hα-helixtrans-69.6-31.3173-172.3175.522.700112.6H186 L187 L188 P194 Y197H186-Q190 WeakPolarHBondContact O-CB 3.5Å; H186-Q190 PolarHBondContact O-N 3.47Å; L187-Q190 PolarHBondContact O-N 2.84Å; L188-Q190 VanDerWaalsContact C-N 3.34Å; L188-Q190 PolarHBondContact O-N 3.25Å; Q190-P194 WeakPolarHBondContact O-CB 3.4Å; Q190-Y197 HydrophobicContact CB-CD1 4Å; Q190-Y197 HydrophobicContact CB-CD2 3.94Å; Q190-Y197 HydrophobicContact CB-CE1 4.18Å; Q190-Y197 HydrophobicContact CB-CE2 4.13Å; Q190-Y197 HydrophobicContact CB-CG 3.89Å; Q190-Y197 HydrophobicContact CG-CD1 3.81Å; Q190-Y197 HydrophobicContact CG-CE1 3.89Å; Q190-Y197 HydrophobicContact CG-CG 4.21Å
191R78.8Confident77.1Confident144 Ų14473 Ų7354%0.54336%0.356SS..Hα-helixtrans-75.5-49.4174.8-169-166.771-167.5-5.9111.9L187 L188L187-R191 WeakPolarHBondContact O-CB 3.38Å; L187-R191 PolarHBondContact O-N 2.85Å; L188-R191 PolarHBondContact O-N 2.79Å
192D80.8Confident77.9Confident27 Ų2768.3 Ų68.314%0.14434%0.341CS..Hα-helixtrans-89.8-30.1-168.7-62.3-15.8000112.6L188L188-D192 WeakPolarHBondContact O-CB 3.33Å; L188-D192 PolarHBondContact O-N 2.88Å
193F84.1Confident77.7Confident85 Ų8573.3 Ų73.337%0.37336%0.364SS..  trans-134.656.6-178.3-54.1-74.7000112.7M189 D195 L196 Y197M189-F193 HydrophobicContact CG-CB 4.19Å; M189-F193 HydrophobicContact CG-CD2 4.41Å; M189-F193 CarbonylContact O-C 3.6Å; M189-F193 VanDerWaalsContact O-CA 3.3Å; M189-F193 WeakPolarHBondContact O-CA 3.23Å; M189-F193 PolarHBondContact O-N 2.72Å; F193-D195 VanDerWaalsContact C-N 3.28Å; F193-D195 PolarHBondContact O-N 3.47Å; F193-D195 VanDerWaalsContact O-N 3.11Å; F193-L196 HydrophobicContact CB-CB 3.98Å; F193-L196 HydrophobicContact CB-CD2 4.32Å; F193-L196 PolarHBondContact O-N 3.27Å; F193-L196 VanDerWaalsContact O-N 3.11Å; F193-Y197 WeakPolarHBondContact O-CB 3.29Å; F193-Y197 PolarHBondContact O-N 2.89Å
194P78.2Confident76.7Confident58 Ų5873 Ų7338%0.37737%0.372SS..Hα-helixtrans-56.4-33.5-170.220.2-33.4000114.9Q190 K198Q190-P194 WeakPolarHBondContact O-CB 3.4Å; P194-K198 WeakPolarHBondContact O-CG 3.26Å; P194-K198 PolarHBondContact O-N 3.17Å
195D77.3Confident74.7Confident99 Ų9979 Ų7953%0.52940%0.399SS..Hα-helixtrans-81-35.6179.5-64.3-39.3000112.7F193 Y197 K198 I199F193-D195 VanDerWaalsContact C-N 3.28Å; F193-D195 PolarHBondContact O-N 3.47Å; F193-D195 VanDerWaalsContact O-N 3.11Å; D195-Y197 VanDerWaalsContact C-N 3.29Å; D195-K198 PolarHBondContact O-N 2.87Å; D195-K198 IonicContact OD1-NZ 3.94Å; D195-K198 PolarHBondContact OD1-NZ 3.23Å; D195-I199 WeakPolarHBondContact O-CD1 3.46Å; D195-I199 VanDerWaalsContact O-CG1 3.27Å; D195-I199 WeakPolarHBondContact O-CG1 3.42Å; D195-I199 PolarHBondContact O-N 2.85Å
196L81.6Confident72.2Confident87 Ų8785 Ų8546%0.45543%0.431SS..Hα-helixtrans-62.7-41.8169.3-177.864.7000110.3M189 F193 I199 I200M189-L196 HydrophobicContact SD-CD2 4.44Å; F193-L196 HydrophobicContact CB-CB 3.98Å; F193-L196 HydrophobicContact CB-CD2 4.32Å; F193-L196 PolarHBondContact O-N 3.27Å; F193-L196 VanDerWaalsContact O-N 3.11Å; L196-I199 PolarHBondContact O-N 3.42Å; L196-I199 VanDerWaalsContact O-N 3.14Å; L196-I200 HydrophobicContact CD1-CD1 4.02Å; L196-I200 HydrophobicContact CD1-CG1 4.4Å; L196-I200 HydrophobicContact CG-CD1 3.9Å; L196-I200 WeakPolarHBondContact O-CG1 2.84Å; L196-I200 PolarHBondContact O-N 3.29Å
197Y85.2Confident69.6Low35 Ų3588.5 Ų88.514%0.13746%0.461CS..Hα-helixtrans-59.3-44.6173.6177.5-88.7000112.1H186 M189 Q190 F193 D195 I199 I200 F201H186-Y197 AromaticContact CD2-CE2 3.48Å; H186-Y197 VanDerWaalsContact CD2-CE2 3.48Å; H186-Y197 WeakPolarHBondContact CD2-CE2 3.48Å; H186-Y197 AromaticContact CD2-CZ 3.69Å; H186-Y197 PolarHBondContact CD2-OH 3.31Å; H186-Y197 AromaticContact CG-CE2 3.97Å; H186-Y197 AromaticContact NE2-CE2 3.87Å; H186-Y197 PolarHBondContact NE2-OH 3.49Å; M189-Y197 HydrophobicContact CE-CD2 3.88Å; Q190-Y197 HydrophobicContact CB-CD1 4Å; Q190-Y197 HydrophobicContact CB-CD2 3.94Å; Q190-Y197 HydrophobicContact CB-CE1 4.18Å; Q190-Y197 HydrophobicContact CB-CE2 4.13Å; Q190-Y197 HydrophobicContact CB-CG 3.89Å; Q190-Y197 HydrophobicContact CG-CD1 3.81Å; Q190-Y197 HydrophobicContact CG-CE1 3.89Å; Q190-Y197 HydrophobicContact CG-CG 4.21Å; F193-Y197 WeakPolarHBondContact O-CB 3.29Å; F193-Y197 PolarHBondContact O-N 2.89Å; D195-Y197 VanDerWaalsContact C-N 3.29Å; Y197-I199 VanDerWaalsContact C-N 3.3Å; Y197-I199 PolarHBondContact O-N 2.85Å; Y197-I200 PolarHBondContact O-N 2.87Å; Y197-F201 AromaticContact CD2-CD2 3.81Å; Y197-F201 HydrophobicContact CD2-CD2 3.81Å; Y197-F201 HydrophobicContact CD2-CE2 4.43Å; Y197-F201 HydrophobicContact CE1-CB 4.48Å; Y197-F201 HydrophobicContact CE2-CB 4.43Å; Y197-F201 AromaticContact CE2-CD2 3.66Å; Y197-F201 HydrophobicContact CE2-CD2 3.66Å; Y197-F201 HydrophobicContact CE2-CE2 4.29Å; Y197-F201 HydrophobicContact CE2-CG 4.31Å; Y197-F201 WeakPolarHBondContact O-CA 3.29Å; Y197-F201 WeakPolarHBondContact O-CB 3.06Å; Y197-F201 PolarHBondContact O-N 2.88Å
198K81Confident67.3Low128 Ų12889.3 Ų89.356%0.55747%0.465SS*.Hα-helixtrans-63.3-30.9172.8-74171.4-163.2152.60113.9P194 D195 F201 P202P194-K198 WeakPolarHBondContact O-CG 3.26Å; P194-K198 PolarHBondContact O-N 3.17Å; D195-K198 PolarHBondContact O-N 2.87Å; D195-K198 IonicContact OD1-NZ 3.94Å; D195-K198 PolarHBondContact OD1-NZ 3.23Å; K198-F201 CarbonylContact O-C 3.6Å; K198-P202 WeakPolarHBondContact O-CA 3.46Å; K198-P202 VanDerWaalsContact O-CD 3.27Å; K198-P202 WeakPolarHBondContact O-CD 3.38Å; K198-P202 VanDerWaalsContact O-N 3.1Å
199I79.2Confident64.8Low111 Ų11198 Ų9857%0.56950%0.495SS*.Hα-helixtrans-76-38.7178.8-70163.4000111.1D195 L196 Y197 P202 L278D195-I199 WeakPolarHBondContact O-CD1 3.46Å; D195-I199 VanDerWaalsContact O-CG1 3.27Å; D195-I199 WeakPolarHBondContact O-CG1 3.42Å; D195-I199 PolarHBondContact O-N 2.85Å; L196-I199 PolarHBondContact O-N 3.42Å; L196-I199 VanDerWaalsContact O-N 3.14Å; Y197-I199 VanDerWaalsContact C-N 3.3Å; Y197-I199 PolarHBondContact O-N 2.85Å; I199-P202 WeakPolarHBondContact O-CD 3.4Å; I199-L278 WeakPolarHBondContact O-CD2 3.34Å
200I77.6Confident62.2Low17 Ų17104.1 Ų104.19%0.08753%0.528CS..Hα-helixtrans-78.7-36.8177.3-61.6171.6000110.9M189 L196 Y197 P202 V281 R282M189-I200 HydrophobicContact CE-CD1 4.03Å; M189-I200 HydrophobicContact SD-CD1 4.33Å; L196-I200 HydrophobicContact CD1-CD1 4.02Å; L196-I200 HydrophobicContact CD1-CG1 4.4Å; L196-I200 HydrophobicContact CG-CD1 3.9Å; L196-I200 WeakPolarHBondContact O-CG1 2.84Å; L196-I200 PolarHBondContact O-N 3.29Å; Y197-I200 PolarHBondContact O-N 2.87Å; I200-P202 WeakPolarHBondContact O-CD 3.48Å; I200-V281 HydrophobicContact CD1-CG1 4.11Å; I200-V281 HydrophobicContact CG1-CG1 4.38Å; I200-V281 HydrophobicContact CG2-CG1 4.18Å; I200-R282 HydrophobicContact CG2-CG 3.97Å; I200-R282 PolarHBondContact O-NE 3.42Å; I200-R282 PolarHBondContact O-NH2 3.46Å
201F82.3Confident59.8Low34 Ų34108.8 Ų108.815%0.14955%0.55CS..SBendtrans-122.558.9-178.7-58.6-76.7000113.2H186 M189 Y197 K198 L203 R282 F285H186-F201 AromaticContact CE1-CD1 3.92Å; H186-F201 AromaticContact CE1-CE1 3.56Å; H186-F201 AromaticContact CE1-CE2 3.81Å; H186-F201 AromaticContact CE1-CZ 3.5Å; M189-F201 HydrophobicContact CE-CD2 4.15Å; M189-F201 HydrophobicContact CE-CE2 3.77Å; Y197-F201 AromaticContact CD2-CD2 3.81Å; Y197-F201 HydrophobicContact CD2-CD2 3.81Å; Y197-F201 HydrophobicContact CD2-CE2 4.43Å; Y197-F201 HydrophobicContact CE1-CB 4.48Å; Y197-F201 HydrophobicContact CE2-CB 4.43Å; Y197-F201 AromaticContact CE2-CD2 3.66Å; Y197-F201 HydrophobicContact CE2-CD2 3.66Å; Y197-F201 HydrophobicContact CE2-CE2 4.29Å; Y197-F201 HydrophobicContact CE2-CG 4.31Å; Y197-F201 WeakPolarHBondContact O-CA 3.29Å; Y197-F201 WeakPolarHBondContact O-CB 3.06Å; Y197-F201 PolarHBondContact O-N 2.88Å; K198-F201 CarbonylContact O-C 3.6Å; F201-L203 PolarHBondContact O-N 3.41Å; F201-R282 HydrophobicContact CD1-CG 4.24Å; F201-R282 HydrophobicContact CE1-CB 4.24Å; F201-R282 HydrophobicContact CE1-CG 3.84Å; F201-R282 HydrophobicContact CZ-CG 4.4Å; F201-F285 AromaticContact CE2-CD1 3.79Å; F201-F285 HydrophobicContact CE2-CD1 3.79Å; F201-F285 AromaticContact CE2-CE1 3.97Å; F201-F285 HydrophobicContact CE2-CE1 3.97Å; F201-F285 HydrophobicContact CE2-CG 4.27Å; F201-F285 HydrophobicContact CZ-CB 4.34Å; F201-F285 AromaticContact CZ-CD1 3.61Å; F201-F285 HydrophobicContact CZ-CD1 3.61Å; F201-F285 HydrophobicContact CZ-CE1 4.18Å; F201-F285 HydrophobicContact CZ-CG 4.15Å
202P67.5Low57.5Low73 Ų73111.9 Ų111.947%0.47457%0.568SS.*  trans-59.8132.6171.223.7-34.8000111.2K198 I199 I200K198-P202 WeakPolarHBondContact O-CA 3.46Å; K198-P202 VanDerWaalsContact O-CD 3.27Å; K198-P202 WeakPolarHBondContact O-CD 3.38Å; K198-P202 VanDerWaalsContact O-N 3.1Å; I199-P202 WeakPolarHBondContact O-CD 3.4Å; I200-P202 WeakPolarHBondContact O-CD 3.48Å
203L49.4Very low55.1Low152 Ų152118.7 Ų118.780%0.79660%0.599SS**  trans-59.8143.7179.6-67.5169000111.4F201 M205F201-L203 PolarHBondContact O-N 3.41Å; L203-M205 PolarHBondContact O-N 3.24Å; L203-M205 VanDerWaalsContact O-N 3.11Å
204P41.7Very low52.7Low113 Ų113122 Ų12273%0.73462%0.62SS**  trans-61115.4176.4-2333.8000111.8N206P204-N206 PolarHBondContact O-N 3.06Å
205M32.3Very low50.3Low155 Ų155126 Ų12676%0.76464%0.638SS**SBendtrans-74.445.7178.1-73.3-74.3-7800113L203 I208L203-M205 PolarHBondContact O-N 3.24Å; L203-M205 VanDerWaalsContact O-N 3.11Å; M205-I208 HydrophobicContact CE-CD1 4.23Å
206N30.2Very low48.2Very low162 Ų162128.5 Ų128.587%0.86666%0.658SS**  trans-13028.6-179.5-92.5-21.8000112.4P204P204-N206 PolarHBondContact O-N 3.06Å
207S31Very low45.5Very low119 Ų119131.3 Ų131.383%0.83267%0.67SS**  trans-132.680.7164.7-164.60000109.1
208I33Very low42.9Very low120 Ų120135.1 Ų135.162%0.61570%0.697SS**  trans-129.5136.1-179.1-58.2179.7000108.4M205M205-I208 HydrophobicContact CE-CD1 4.23Å
209R27.2Very low40.4Very low221 Ų221133.8 Ų133.883%0.83470%0.696SS**  trans73.393.3169-167.7175.7-64.9-175.7-1.5116.5
210N27.9Very low38.1Very low151 Ų151136.9 Ų136.981%0.80771%0.708SS**  -155.7166.9111.6-96.4-16.5000110.8
211E29.2Very low35.7Very low193 Ų193142.8 Ų142.890%0.90273%0.734SS**  trans66.384.6176.8-59.8-171-173.200116.8
212F30Very low33.2Very low210 Ų210147.7 Ų147.792%0.92176%0.761SS**  trans-130.5130150-123.7-82.9000107.2
213E31.4Very low31.3Very low170 Ų170150.7 Ų150.779%0.79477%0.772SS**  trans144.2106.6154.2-85-170.3159.500111.8
214N33.2Very low30.2Very low155 Ų155150.6 Ų150.683%0.82977%0.772SS**  -173.3126.6101.7-99.6-83.2000110
215D29.1Very low29.5Very low141 Ų141149.9 Ų149.975%0.75477%0.769SS**  trans-84.1165.5-179.9-65-68000113.2
216T32.3Very low29.2Very low152 Ų152147.9 Ų147.993%0.93377%0.766SS**  -142.1144.8129.8-42.40000109.8
217M25.6Very low29Very low146 Ų146146.2 Ų146.272%0.71976%0.757SS**  trans-119.8-171.2-153.3-129.5-80.5-160.400112.6
218T29.7Very low28.7Very low115 Ų115147 Ų14771%0.70675%0.752SS**  trans95.3139.6158.376.60000119.3
219N28.9Very low28.6Very low99 Ų99147.4 Ų147.453%0.52976%0.76SS.*  cis-165152.8-20.6-108.1-17.9000112.3F221N219-F221 HydrophobicContact CB-CD2 4.37Å; N219-F221 HydrophobicContact CB-CE2 4.31Å; N219-F221 WeakPolarHBondContact ND2-CE2 3.25Å
220E30.4Very low28.5Very low176 Ų176143.9 Ų143.982%0.82276%0.758SS**  165.9101.3126.6-78.1-123.5112.100108.1
221F27.7Very low28.7Very low142 Ų142143.6 Ų143.662%0.62376%0.756SS**  73.6128.880.5-78.8-56.9000113.7N219N219-F221 HydrophobicContact CB-CD2 4.37Å; N219-F221 HydrophobicContact CB-CE2 4.31Å; N219-F221 WeakPolarHBondContact ND2-CE2 3.25Å
222N28.8Very low28.5Very low137 Ų137139 Ų13973%0.73375%0.745SS**  cis-133.6-155.79.7-65.3-87.6000109.3
223L28Very low28.3Very low135 Ų135133.1 Ų133.171%0.70774%0.735SS**  cis-165.1123.46.6-174.860000112.1
224L26.7Very low28.1Very low151 Ų151133.7 Ų133.779%0.79174%0.735SS**  trans61.1147.7165.3-60.1165.5000116.8
225S26.2Very low28Very low97 Ų97132.4 Ų132.468%0.67873%0.728SS**  cis-170.2163.3-5.1-100.50000109.6
226V26.2Very low27.9Very low113 Ų113132.1 Ų132.169%0.68573%0.726SS**  cis-173.9150.1-31.785.60000108.1
227N25.8Very low27.9Very low128 Ų128132.9 Ų132.968%0.68472%0.719SS**  trans62.3148.9168-7252.7000117.8
228D25.4Very low27.9Very low134 Ų134133.1 Ų133.172%0.71772%0.723SS**  cis-132.9179.4-13.3-74.9-49.3000105.8
229V31Very low27.8Very low130 Ų130135.1 Ų135.179%0.78872%0.724SS**  cis-163.9144.845.2170.50000108.6
230D25.5Very low27.8Very low147 Ų147138.1 Ų138.179%0.78673%0.733SS**  trans-127.3142.1161.5-163.6-5.1000109.6
231N31.9Very low27.5Very low145 Ų145136.2 Ų136.278%0.77573%0.727SS**  trans-171.3101169.5-110.3-56.8000115.3
232S25.7Very low27.5Very low97 Ų97134.7 Ų134.768%0.67873%0.73SS**  43.789123.4-177.70000120.4
233A25.2Very low27.3Very low85 Ų85135.5 Ų135.570%0.70273%0.734SS**  68.8145.7113.400000124.1
234K27.3Very low27.3Very low182 Ų182135.5 Ų135.579%0.79174%0.74SS**  trans106.2129.8140.1-86.2176-178.91770122.8
235D30.8Very low27.4Very low128 Ų128134.9 Ų134.968%0.68474%0.736SS**  trans70.9148.3141.5-59.8-21.7000121.5
236L27.3Very low27.3Very low136 Ų136136.7 Ų136.771%0.71274%0.738SS**  cis-168.4162-34.5-15566.7000109.8
237Q31.7Very low27.5Very low167 Ų167138 Ų13878%0.7874%0.74SS**  trans69.7115.1163.7-48.6-176.1-1.800117.5
238N26.4Very low27.4Very low151 Ų151140 Ų14081%0.80775%0.745SS**  77.8136.156.6-94.2-36.7000117.5
239Q26.7Very low27.4Very low157 Ų157138.3 Ų138.373%0.73474%0.743SS**  trans74.1148164.5-67.8-179.246.800116.7
240K28.6Very low27.1Very low163 Ų163138.1 Ų138.171%0.70974%0.742SS**  cis-160.2150.614.1-139.6178.5-172.7176.70115.3
241L25Very low27.2Very low136 Ų136138.3 Ų138.371%0.71274%0.744SS**  trans81.1128.4138.6-127.477.5000124.5
242T26.8Very low27.2Very low110 Ų110139 Ų13968%0.67574%0.739SS**  trans69.5110.2139.337.10000125.5
243N25.9Very low27.2Very low153 Ų153141.7 Ų141.782%0.81875%0.746SS**  12.5121.9127.4-54.94.3000121.1
244T27Very low27.3Very low136 Ų136142.5 Ų142.583%0.83475%0.746SS**  trans-170.4160137.635.40000110.1
245I28.2Very low27.4Very low138 Ų138141.6 Ų141.671%0.70875%0.75SS**  cis-170.2150.2-35.4-165.9169.6000109
246N25.4Very low27Very low134 Ų134143.4 Ų143.472%0.71776%0.759SS**  trans63.3164.2167.8-76-3.8000117.4
247I29Very low27.5Very low141 Ų141141.9 Ų141.972%0.72376%0.757SS**  cis-149.6162.6-25.2-115.5168.5000110.6
248Q24.7Very low27.5Very low171 Ų171145.7 Ų145.780%0.79976%0.764SS**  trans-40.5157.2169.7-132.6170.36.200119.3
249S25.7Very low27.5Very low97 Ų97146.5 Ų146.568%0.67876%0.763SS**  trans10298.6140.9-59.70000122.9
250V23.7Very low27.7Very low126 Ų126145.1 Ų145.176%0.76476%0.759SS**  38.9114.9117.2-175.50000119.8
251N28.2Very low27.6Very low152 Ų152143.7 Ų143.781%0.81376%0.759SS**  -171.9178.1118.1-110.2-62.3000116.4
252K30.8Very low28Very low158 Ų158144.1 Ų144.169%0.68777%0.768SS**  trans-81169.6-165.6-65.6177.6176.3178.90116.8
253L27.6Very low28Very low155 Ų155147.3 Ų147.381%0.81278%0.775SS**  trans-64.3155.1-179-6272.6000115.2
254S26.5Very low28.4Very low102 Ų102145.2 Ų145.271%0.71377%0.772SS**  trans-161.3134.5135.767.10000114.8
255N28.7Very low28.6Very low163 Ų163147.8 Ų147.887%0.87277%0.772SS**  trans75.1158.2149.4-58.6-22.3000122.1
256L23.5Very low28.5Very low166 Ų166145.8 Ų145.887%0.86977%0.769SS**  trans-122.6-174.7-161.9-148.278000110.9
257P38.2Very low28.7Very low103 Ų103146.2 Ų146.267%0.66977%0.77SS**  -114.6176.2-97.541-27.7000115.1
258R29.7Very low28.7Very low248 Ų248149.3 Ų149.394%0.93678%0.778SS**  trans-160.1135.9147.5-122.3176.5-67.9176.21.7115.9
259H27.7Very low29.2Very low167 Ų167147.2 Ų147.277%0.77378%0.783SS**  trans-45.8158.7177.7-111.2-147.7000120.9
260I29.9Very low29.5Very low129 Ų129152.1 Ų152.166%0.66279%0.792SS**  trans72.5141.9140.7-71.7178.9000119
261D27.4Very low29.8Very low132 Ų132155 Ų15571%0.70680%0.797SS**  cis-168.7154.1-23.3-92-21.2000108.1
262T32.6Very low30.3Very low146 Ų146153.5 Ų153.590%0.89679%0.788SS**  trans-167.4143.7136.13.40000115
263E27.9Very low30.5Very low176 Ų176155.9 Ų155.982%0.82280%0.801SS**  trans-73.2155.6-166.9-49.1165.5133.300116.3
264S34.5Very low31.4Very low109 Ų109151.6 Ų151.676%0.76278%0.784SS**  166.7128.898.548.10000116.3
265F29.7Very low32.8Very low190 Ų190150.8 Ų150.883%0.83377%0.772SS**  trans35.2148.8137.4-81-113.4000122.2
266C28Very low34.4Very low96 Ų96149.8 Ų149.865%0.64976%0.762SS**  cis175.4158.2-8.5155.70000109.9
267I28.7Very low36.8Very low143 Ų143149.3 Ų149.373%0.73375%0.753SS**  cis-160.9132-32.6-83.3168.7000103.9
268K29.7Very low38.5Very low207 Ų207146.7 Ų146.790%0.973%0.733SS**  trans-174.497.1152.1-113.1-178.6-174.4-177.70114.1
269S35.2Very low40.6Very low127 Ų127138.1 Ų138.189%0.88871%0.706SS**  trans171.5157.3136-85.80000108.4
270K30.6Very low43Very low199 Ų199134.5 Ų134.587%0.86569%0.692SS**  trans-138.473.6-156.7-172.1-162.8174.3-172.50112.4
271E30.6Very low45.5Very low186 Ų186130.3 Ų130.387%0.86967%0.673SS**  trans-166.5166.3170.2-118.2153.7-146.400111.4
272I40Very low48.2Very low122 Ų122127.6 Ų127.663%0.62665%0.652SS**  trans65.876.1176.4-40.5-177.4000115.8N275I272-N275 WeakPolarHBondContact CG2-OD1 3.05Å
273E33.3Very low50.5Low207 Ų207127.3 Ų127.397%0.96764%0.641SS**  trans-102.617.8160.7-155.5164.8-141.100111.4
274S46.3Very low53.3Low66 Ų66125.1 Ų125.146%0.46263%0.634SS.*  trans-107.5-14.2-160.849.10000116.6
275N56Low56Low85 Ų85121.4 Ų121.446%0.45560%0.604SS.*Hα-helixtrans-75.9-34.4-163.1-70.24.1000114.6I272 F277 L278 D279I272-N275 WeakPolarHBondContact CG2-OD1 3.05Å; N275-F277 PolarHBondContact O-N 2.62Å; N275-L278 WeakPolarHBondContact O-CB 3.35Å; N275-L278 PolarHBondContact O-N 3.36Å; N275-D279 PolarHBondContact O-N 3.43Å
276H63.6Low58.7Low141 Ų141115.5 Ų115.565%0.65358%0.579SS**Hα-helixtrans-62.8-28.5-176.5-162.6-29.8000112.6N280H276-N280 PolarHBondContact CE1-OD1 2.85Å; H276-N280 PolarHBondContact ND1-ND2 3.28Å; H276-N280 PolarHBondContact ND1-OD1 3.5Å; H276-N280 WeakPolarHBondContact O-CB 3.34Å; H276-N280 PolarHBondContact O-N 3.13Å; H276-N280 VanDerWaalsContact O-N 3.17Å; H276-N280 PolarHBondContact O-ND2 3.07Å
277F72.7Confident61.4Low156 Ų156114.9 Ų114.968%0.68458%0.575SS**Hα-helixtrans-68.3-45.3173.1-177.1-98.9000111.5N275 N280 V281N275-F277 PolarHBondContact O-N 2.62Å; F277-N280 PolarHBondContact O-N 3.1Å; F277-V281 HydrophobicContact CD1-CG2 4.19Å; F277-V281 HydrophobicContact CE1-CG2 3.82Å; F277-V281 HydrophobicContact CE2-CG2 4.48Å; F277-V281 HydrophobicContact CZ-CG2 3.98Å; F277-V281 WeakPolarHBondContact O-CG2 3.49Å; F277-V281 PolarHBondContact O-N 3.36Å
278L74.5Confident64.2Low49 Ų49110 Ų11026%0.25756%0.556SS.*Hα-helixtrans-61.9-42.8177.6-92.5156.4000112.5I199 N275 V281 R282I199-L278 WeakPolarHBondContact O-CD2 3.34Å; N275-L278 WeakPolarHBondContact O-CB 3.35Å; N275-L278 PolarHBondContact O-N 3.36Å; L278-V281 PolarHBondContact O-N 3.02Å; L278-R282 WeakPolarHBondContact O-CG 3.29Å; L278-R282 PolarHBondContact O-N 3.37Å
279D74.5Confident67Low67 Ų67100.8 Ų100.836%0.35852%0.516SS..Hα-helixtrans-70.3-32.8178.6-67.5-39.4000112.9N275 R282 H283N275-D279 PolarHBondContact O-N 3.43Å; D279-R282 WeakPolarHBondContact OD1-CD 3.35Å; D279-R282 IonicContact OD1-CZ 3.68Å; D279-R282 IonicContact OD1-NE 2.59Å; D279-R282 IonicContact OD1-NH1 2.7Å; D279-R282 PolarHBondContact OD1-NH1 2.88Å; D279-H283 PolarHBondContact O-N 3.39Å
280N77.2Confident69.5Low91 Ų9198.5 Ų98.549%0.48750%0.497SS..Hα-helixtrans-65.9-41.5169.4-73.7-9.5000111.8H276 F277 H283 L284H276-N280 PolarHBondContact CE1-OD1 2.85Å; H276-N280 PolarHBondContact ND1-ND2 3.28Å; H276-N280 PolarHBondContact ND1-OD1 3.5Å; H276-N280 WeakPolarHBondContact O-CB 3.34Å; H276-N280 PolarHBondContact O-N 3.13Å; H276-N280 VanDerWaalsContact O-N 3.17Å; H276-N280 PolarHBondContact O-ND2 3.07Å; F277-N280 PolarHBondContact O-N 3.1Å; N280-H283 PolarHBondContact O-N 2.86Å; N280-L284 WeakPolarHBondContact O-CB 3.42Å; N280-L284 PolarHBondContact O-N 3.43Å
281V82Confident72.2Confident42 Ų4294.3 Ų94.326%0.25548%0.484SS..Hα-helixtrans-64-42.4176.8167.60000111.1I200 F277 L278 L284 F285I200-V281 HydrophobicContact CD1-CG1 4.11Å; I200-V281 HydrophobicContact CG1-CG1 4.38Å; I200-V281 HydrophobicContact CG2-CG1 4.18Å; F277-V281 HydrophobicContact CD1-CG2 4.19Å; F277-V281 HydrophobicContact CE1-CG2 3.82Å; F277-V281 HydrophobicContact CE2-CG2 4.48Å; F277-V281 HydrophobicContact CZ-CG2 3.98Å; F277-V281 WeakPolarHBondContact O-CG2 3.49Å; F277-V281 PolarHBondContact O-N 3.36Å; L278-V281 PolarHBondContact O-N 3.02Å; V281-L284 PolarHBondContact O-N 3.39Å; V281-F285 VanDerWaalsContact O-CB 3.31Å; V281-F285 WeakPolarHBondContact O-CB 3.36Å; V281-F285 PolarHBondContact O-N 3.38Å
282R84.9Confident74.8Confident74 Ų7489.5 Ų89.528%0.27946%0.461SS..Hα-helixtrans-56.8-51.8171.9-73.6167.1168.7170.6-9.6111.9I200 F201 L278 D279 L284 F285 E286I200-R282 HydrophobicContact CG2-CG 3.97Å; I200-R282 PolarHBondContact O-NE 3.42Å; I200-R282 PolarHBondContact O-NH2 3.46Å; F201-R282 HydrophobicContact CD1-CG 4.24Å; F201-R282 HydrophobicContact CE1-CB 4.24Å; F201-R282 HydrophobicContact CE1-CG 3.84Å; F201-R282 HydrophobicContact CZ-CG 4.4Å; L278-R282 WeakPolarHBondContact O-CG 3.29Å; L278-R282 PolarHBondContact O-N 3.37Å; D279-R282 WeakPolarHBondContact OD1-CD 3.35Å; D279-R282 IonicContact OD1-CZ 3.68Å; D279-R282 IonicContact OD1-NE 2.59Å; D279-R282 IonicContact OD1-NH1 2.7Å; D279-R282 PolarHBondContact OD1-NH1 2.88Å; R282-L284 PolarHBondContact O-N 2.88Å; R282-F285 WeakPolarHBondContact O-CB 3.36Å; R282-F285 PolarHBondContact O-N 3.2Å; R282-E286 PolarHBondContact O-N 3.41Å
283H81.8Confident76.8Confident140 Ų14085.8 Ų85.865%0.64844%0.444SS*.Hα-helixtrans-62.9-40.2-179.6-96.1-64.4000112.8D279 N280 E286 C287D279-H283 PolarHBondContact O-N 3.39Å; N280-H283 PolarHBondContact O-N 2.86Å; H283-E286 PolarHBondContact O-N 2.92Å; H283-C287 WeakPolarHBondContact O-CB 3.41Å; H283-C287 PolarHBondContact O-N 3.26Å; H283-C287 PolarHBondContact O-SG 2.93Å; H283-C287 VanDerWaalsContact O-SG 3.33Å
284L86.7Confident79.3Confident130 Ų13082.1 Ų82.168%0.68143%0.427SS*.Hα-helixtrans-64.5-41.1175.2-176.162.4000111.5N280 V281 R282 A288N280-L284 WeakPolarHBondContact O-CB 3.42Å; N280-L284 PolarHBondContact O-N 3.43Å; V281-L284 PolarHBondContact O-N 3.39Å; R282-L284 PolarHBondContact O-N 2.88Å; L284-A288 WeakPolarHBondContact O-CB 3.22Å; L284-A288 PolarHBondContact O-N 3.14Å
285F89.7Confident80.9Confident32 Ų3286.8 Ų86.814%0.1443%0.434CS..Hα-helixtrans-62.9-43.4175.8-170.5-90.1000112.1L185 H186 M189 F201 V281 R282 A288 N289L185-F285 HydrophobicContact CB-CE1 4.2Å; L185-F285 HydrophobicContact CB-CE2 4.4Å; L185-F285 HydrophobicContact CB-CZ 3.82Å; L185-F285 WeakPolarHBondContact O-CZ 3.42Å; H186-F285 HydrophobicContact CB-CE1 4.42Å; H186-F285 AromaticContact ND1-CE1 3.63Å; M189-F285 HydrophobicContact CB-CE2 4.21Å; M189-F285 HydrophobicContact CB-CZ 3.93Å; M189-F285 HydrophobicContact CE-CD2 4Å; M189-F285 HydrophobicContact CE-CE1 4.18Å; M189-F285 HydrophobicContact CE-CE2 3.44Å; M189-F285 VanDerWaalsContact CE-CE2 3.44Å; M189-F285 HydrophobicContact CE-CZ 3.53Å; M189-F285 HydrophobicContact CG-CE2 4.47Å; M189-F285 HydrophobicContact SD-CD2 4.22Å; M189-F285 HydrophobicContact SD-CE2 3.47Å; M189-F285 WeakPolarHBondContact SD-CE2 3.41Å; M189-F285 HydrophobicContact SD-CZ 3.98Å; F201-F285 AromaticContact CE2-CD1 3.79Å; F201-F285 HydrophobicContact CE2-CD1 3.79Å; F201-F285 AromaticContact CE2-CE1 3.97Å; F201-F285 HydrophobicContact CE2-CE1 3.97Å; F201-F285 HydrophobicContact CE2-CG 4.27Å; F201-F285 HydrophobicContact CZ-CB 4.34Å; F201-F285 AromaticContact CZ-CD1 3.61Å; F201-F285 HydrophobicContact CZ-CD1 3.61Å; F201-F285 HydrophobicContact CZ-CE1 4.18Å; F201-F285 HydrophobicContact CZ-CG 4.15Å; V281-F285 VanDerWaalsContact O-CB 3.31Å; V281-F285 WeakPolarHBondContact O-CB 3.36Å; V281-F285 PolarHBondContact O-N 3.38Å; R282-F285 WeakPolarHBondContact O-CB 3.36Å; R282-F285 PolarHBondContact O-N 3.2Å; F285-A288 CarbonylContact O-C 3.57Å; F285-A288 PolarHBondContact O-N 3.14Å; F285-N289 WeakPolarHBondContact O-CB 3.44Å; F285-N289 PolarHBondContact O-N 2.94Å
286E86.5Confident82Confident65 Ų6584.8 Ų84.830%0.30443%0.426SS..Hα-helixtrans-72.1-33.3-178.7-137.556.5-114.800112.6H186 R282 H283 N289 T290H186-E286 IonicContact CE1-OE2 2.87Å; H186-E286 PolarHBondContact CE1-OE2 2.93Å; H186-E286 IonicContact ND1-OE1 3.33Å; H186-E286 IonicContact ND1-OE2 3.17Å; H186-E286 PolarHBondContact ND1-OE2 3.48Å; R282-E286 PolarHBondContact O-N 3.41Å; H283-E286 PolarHBondContact O-N 2.92Å; E286-N289 PolarHBondContact O-N 3.41Å; E286-N289 PolarHBondContact OE1-ND2 3.37Å; E286-T290 WeakPolarHBondContact O-CB 3.45Å; E286-T290 PolarHBondContact O-N 3.3Å; E286-T290 PolarHBondContact O-OG1 2.9Å
287C85.3Confident82.8Confident83 Ų8380.5 Ų80.556%0.56141%0.414SS*.Hα-helixtrans-62.7-44.6167.4-73.50000111.7H283 T290 L291H283-C287 WeakPolarHBondContact O-CB 3.41Å; H283-C287 PolarHBondContact O-N 3.26Å; H283-C287 PolarHBondContact O-SG 2.93Å; H283-C287 VanDerWaalsContact O-SG 3.33Å; C287-T290 PolarHBondContact O-N 2.85Å; C287-L291 WeakPolarHBondContact O-CB 3.41Å; C287-L291 PolarHBondContact O-N 3.38Å
288A87.5Confident83.2Confident41 Ų4178.4 Ų78.434%0.33941%0.406SS..Hα-helixtrans-64.9-40.9176.300000112.1L185 L284 F285 L291 H292L185-A288 HydrophobicContact CD1-CB 4.27Å; L284-A288 WeakPolarHBondContact O-CB 3.22Å; L284-A288 PolarHBondContact O-N 3.14Å; F285-A288 CarbonylContact O-C 3.57Å; F285-A288 PolarHBondContact O-N 3.14Å; A288-L291 PolarHBondContact O-N 2.94Å; A288-H292 VanDerWaalsContact O-CB 3.24Å; A288-H292 WeakPolarHBondContact O-CB 3.42Å; A288-H292 PolarHBondContact O-N 3.31Å
289N89.1Confident83.8Confident13 Ų1380.1 Ų80.17%0.0742%0.416CS..Hα-helixtrans-59-50.2174.7-170.823.9000111.1S184 L185 F285 E286 L291 H292 V293S184-N289 WeakPolarHBondContact CA-OD1 3.49Å; S184-N289 PolarHBondContact OG-ND2 3.34Å; S184-N289 PolarHBondContact OG-OD1 3.22Å; L185-N289 HydrophobicContact CB-CB 4.17Å; L185-N289 PolarHBondContact N-OD1 2.96Å; F285-N289 WeakPolarHBondContact O-CB 3.44Å; F285-N289 PolarHBondContact O-N 2.94Å; E286-N289 PolarHBondContact O-N 3.41Å; E286-N289 PolarHBondContact OE1-ND2 3.37Å; N289-L291 PolarHBondContact O-N 3.14Å; N289-H292 PolarHBondContact O-N 3.3Å; N289-V293 WeakPolarHBondContact O-CB 3.48Å; N289-V293 WeakPolarHBondContact O-CG2 3.23Å; N289-V293 PolarHBondContact O-N 3.44Å
290T86.1Confident84Confident79 Ų7980.5 Ų80.549%0.48541%0.412SS..Hα-helixtrans-58.3-47.4177.3-54.60000111.5E286 C287 V293 Q294E286-T290 WeakPolarHBondContact O-CB 3.45Å; E286-T290 PolarHBondContact O-N 3.3Å; E286-T290 PolarHBondContact O-OG1 2.9Å; C287-T290 PolarHBondContact O-N 2.85Å; T290-V293 PolarHBondContact O-N 3.22Å; T290-Q294 PolarHBondContact O-N 3.45Å
291L87.3Confident84.2Confident111 Ų11179.4 Ų79.458%0.58141%0.411SS*.Hα-helixtrans-63.7-41.3178.5-174.568.5000112.2C287 A288 N289 R295C287-L291 WeakPolarHBondContact O-CB 3.41Å; C287-L291 PolarHBondContact O-N 3.38Å; A288-L291 PolarHBondContact O-N 2.94Å; N289-L291 PolarHBondContact O-N 3.14Å; L291-R295 VanDerWaalsContact O-CB 3.3Å; L291-R295 WeakPolarHBondContact O-CB 3.41Å; L291-R295 PolarHBondContact O-N 3.48Å
292H85.2Confident84.5Confident85 Ų8582.3 Ų82.339%0.39442%0.422SS..Hα-helixtrans-67.2-43.2179.4-165.7-81.2000111.6L185 A288 N289 R295 T296L185-H292 HydrophobicContact CD1-CB 3.89Å; L185-H292 HydrophobicContact CG-CB 4.37Å; A288-H292 VanDerWaalsContact O-CB 3.24Å; A288-H292 WeakPolarHBondContact O-CB 3.42Å; A288-H292 PolarHBondContact O-N 3.31Å; N289-H292 PolarHBondContact O-N 3.3Å; H292-R295 PolarHBondContact O-N 3.29Å; H292-T296 WeakPolarHBondContact O-CB 3.37Å; H292-T296 WeakPolarHBondContact O-CG2 3.4Å; H292-T296 PolarHBondContact O-N 3.17Å; H292-T296 PolarHBondContact O-OG1 3.06Å
293V83.6Confident84.5Confident44 Ų4482.6 Ų82.627%0.26743%0.429SS..Hα-helixtrans-63.9-45.9175.3171.30000110.9P182 N289 T290 T296 A297P182-V293 HydrophobicContact CB-CG1 4.34Å; P182-V293 HydrophobicContact CG-CG1 4.1Å; N289-V293 WeakPolarHBondContact O-CB 3.48Å; N289-V293 WeakPolarHBondContact O-CG2 3.23Å; N289-V293 PolarHBondContact O-N 3.44Å; T290-V293 PolarHBondContact O-N 3.22Å; V293-T296 PolarHBondContact O-OG1 2.9Å; V293-A297 VanDerWaalsContact O-CB 3.25Å; V293-A297 WeakPolarHBondContact O-CB 3.41Å; V293-A297 PolarHBondContact O-N 2.93Å
294Q84.3Confident84.6Confident130 Ų13082 Ų8261%0.60742%0.421SS*.Hα-helixtrans-60.9-46.9175.4-77.7-169.1-55.500112.5T290 A297 Q298T290-Q294 PolarHBondContact O-N 3.45Å; Q294-A297 PolarHBondContact O-N 3.02Å; Q294-Q298 WeakPolarHBondContact O-CB 3.34Å; Q294-Q298 PolarHBondContact O-N 3.48Å
295R79.9Confident84.4Confident164 Ų16479.9 Ų79.962%0.61941%0.41SS*.Hα-helixtrans-70.4-36.7-175.5-162.3171.5-173.685.20112.4L291 H292 L299L291-R295 VanDerWaalsContact O-CB 3.3Å; L291-R295 WeakPolarHBondContact O-CB 3.41Å; L291-R295 PolarHBondContact O-N 3.48Å; H292-R295 PolarHBondContact O-N 3.29Å; R295-L299 HydrophobicContact CG-CD1 4.46Å; R295-L299 WeakPolarHBondContact O-CB 3.37Å; R295-L299 VanDerWaalsContact O-CG 3.3Å; R295-L299 WeakPolarHBondContact O-CG 3.36Å; R295-L299 PolarHBondContact O-N 3.27Å
296T80.7Confident84.2Confident44 Ų4483 Ų8327%0.2743%0.427SS..Hα-helixtrans-70.5-35.7173.452.10000112.5H292 V293 R300H292-T296 WeakPolarHBondContact O-CB 3.37Å; H292-T296 WeakPolarHBondContact O-CG2 3.4Å; H292-T296 PolarHBondContact O-N 3.17Å; H292-T296 PolarHBondContact O-OG1 3.06Å; V293-T296 PolarHBondContact O-OG1 2.9Å; T296-R300 WeakPolarHBondContact O-CB 3.39Å; T296-R300 WeakPolarHBondContact O-CG 3.37Å; T296-R300 PolarHBondContact O-N 3.38Å
297A78.7Confident84.2Confident50 Ų5082.6 Ų82.641%0.41343%0.432SS..Hα-helixtrans-64.9-43.8171.900000112.2V293 Q294 R300 S301V293-A297 VanDerWaalsContact O-CB 3.25Å; V293-A297 WeakPolarHBondContact O-CB 3.41Å; V293-A297 PolarHBondContact O-N 2.93Å; Q294-A297 PolarHBondContact O-N 3.02Å; A297-R300 PolarHBondContact O-N 2.72Å; A297-S301 PolarHBondContact O-N 3.22Å
298Q82.9Confident84.2Confident112 Ų11283.8 Ų83.852%0.52343%0.429SS..Hα-helixtrans-59.5-53.6176-175.9177.80.700111.2Q294 R300 S301 E302Q294-Q298 WeakPolarHBondContact O-CB 3.34Å; Q294-Q298 PolarHBondContact O-N 3.48Å; Q298-R300 VanDerWaalsContact C-N 3.27Å; Q298-R300 PolarHBondContact O-N 3.46Å; Q298-S301 PolarHBondContact O-N 3.45Å; Q298-S301 PolarHBondContact O-OG 3.13Å; Q298-E302 PolarHBondContact O-N 3.25Å
299L86.3Confident84.2Confident86 Ų8688.9 Ų88.945%0.4544%0.439SS..Hα-helixtrans-57.7-38.2178.5-72.4168.1000112.3R295 E302 I303R295-L299 HydrophobicContact CG-CD1 4.46Å; R295-L299 WeakPolarHBondContact O-CB 3.37Å; R295-L299 VanDerWaalsContact O-CG 3.3Å; R295-L299 WeakPolarHBondContact O-CG 3.36Å; R295-L299 PolarHBondContact O-N 3.27Å; L299-E302 PolarHBondContact O-N 3.46Å; L299-I303 WeakPolarHBondContact O-CB 3.27Å; L299-I303 WeakPolarHBondContact O-CD1 3.35Å; L299-I303 VanDerWaalsContact O-CG1 3.23Å; L299-I303 WeakPolarHBondContact O-CG1 3.49Å; L299-I303 PolarHBondContact O-N 3.39Å
300R78.5Confident84.1Confident74 Ų7493 Ų9328%0.27946%0.461SS..Hα-helixtrans-66.5-36174.2-81.6176.7163.7-173.9-6.2113.7L178 G180 T296 A297 Q298 E302 R304L178-R300 PolarHBondContact O-NE 3.41Å; L178-R300 PolarHBondContact O-NH1 3.42Å; L178-R300 PolarHBondContact O-NH2 3.4Å; G180-R300 PolarHBondContact O-NH1 2.94Å; G180-R300 PolarHBondContact O-NH2 3.38Å; T296-R300 WeakPolarHBondContact O-CB 3.39Å; T296-R300 WeakPolarHBondContact O-CG 3.37Å; T296-R300 PolarHBondContact O-N 3.38Å; A297-R300 PolarHBondContact O-N 2.72Å; Q298-R300 VanDerWaalsContact C-N 3.27Å; Q298-R300 PolarHBondContact O-N 3.46Å; R300-E302 VanDerWaalsContact C-N 3.33Å; R300-R304 WeakPolarHBondContact O-CB 3.45Å; R300-R304 PolarHBondContact O-N 3.16Å
301S82.3Confident84.2Confident68 Ų6892.9 Ų92.948%0.47646%0.455SS..Hα-helixtrans-67-38.3174.372.60000111.7A297 Q298 R304 D305A297-S301 PolarHBondContact O-N 3.22Å; Q298-S301 PolarHBondContact O-N 3.45Å; Q298-S301 PolarHBondContact O-OG 3.13Å; S301-R304 PolarHBondContact O-N 2.89Å; S301-D305 PolarHBondContact O-N 3.33Å
302E87.3Confident84.1Confident103 Ų10389.4 Ų89.448%0.48145%0.446SS..Hα-helixtrans-70.8-43.9179.8-160.6162-126.800111.3Q298 L299 R300 R304 D305 L306Q298-E302 PolarHBondContact O-N 3.25Å; L299-E302 PolarHBondContact O-N 3.46Å; R300-E302 VanDerWaalsContact C-N 3.33Å; E302-R304 VanDerWaalsContact C-N 3.32Å; E302-R304 PolarHBondContact O-N 3.1Å; E302-D305 PolarHBondContact O-N 3.41Å; E302-L306 WeakPolarHBondContact O-CB 3.42Å; E302-L306 WeakPolarHBondContact O-CD1 3.37Å; E302-L306 VanDerWaalsContact O-CG 3.23Å; E302-L306 WeakPolarHBondContact O-CG 3.36Å; E302-L306 PolarHBondContact O-N 3.27Å
303I84.2Confident84.1Confident81 Ų8189.4 Ų89.442%0.41545%0.448SS..Hα-helixtrans-59.4-40.9170.5-70.5164.3000111.2L178 L299 L306 S307L178-I303 HydrophobicContact CD1-CG2 3.88Å; L299-I303 WeakPolarHBondContact O-CB 3.27Å; L299-I303 WeakPolarHBondContact O-CD1 3.35Å; L299-I303 VanDerWaalsContact O-CG1 3.23Å; L299-I303 WeakPolarHBondContact O-CG1 3.49Å; L299-I303 PolarHBondContact O-N 3.39Å; I303-L306 PolarHBondContact O-N 2.96Å; I303-S307 WeakPolarHBondContact O-CB 3.19Å; I303-S307 PolarHBondContact O-N 2.96Å; I303-S307 PolarHBondContact O-OG 3.39Å
304R83.7Confident84.1Confident127 Ų12791.3 Ų91.348%0.47945%0.454SS..Hα-helixtrans-65.7-44.5178.7-171.2-173.3-63.8160.3-1.9112.4R300 S301 E302 S307 H308R300-R304 WeakPolarHBondContact O-CB 3.45Å; R300-R304 PolarHBondContact O-N 3.16Å; S301-R304 PolarHBondContact O-N 2.89Å; E302-R304 VanDerWaalsContact C-N 3.32Å; E302-R304 PolarHBondContact O-N 3.1Å; R304-S307 PolarHBondContact O-N 3.38Å; R304-H308 PolarHBondContact O-CD2 3.45Å; R304-H308 PolarHBondContact O-N 3.13Å
305D83.8Confident84.3Confident85 Ų8589 Ų8946%0.45545%0.449SS..Hα-helixtrans-63.4-42.7174.6-175.468.1000111.4S301 E302 S307 H308 R309S301-D305 PolarHBondContact O-N 3.33Å; E302-D305 PolarHBondContact O-N 3.41Å; D305-S307 PolarHBondContact O-N 2.99Å; D305-H308 PolarHBondContact O-N 3.1Å; D305-R309 WeakPolarHBondContact O-CB 3.3Å; D305-R309 VanDerWaalsContact O-CG 3.25Å; D305-R309 WeakPolarHBondContact O-CG 3.35Å; D305-R309 PolarHBondContact O-N 3.43Å; D305-R309 WeakPolarHBondContact OD2-CD 3.11Å; D305-R309 IonicContact OD2-NH1 3.73Å; D305-R309 PolarHBondContact OD2-NH1 3.06Å
306L85.3Confident84.7Confident97 Ų9783 Ų8351%0.50843%0.433SS..Hα-helixtrans-60.6-42175-73.7167.8000112.2E302 I303 R309 L310E302-L306 WeakPolarHBondContact O-CB 3.42Å; E302-L306 WeakPolarHBondContact O-CD1 3.37Å; E302-L306 VanDerWaalsContact O-CG 3.23Å; E302-L306 WeakPolarHBondContact O-CG 3.36Å; E302-L306 PolarHBondContact O-N 3.27Å; I303-L306 PolarHBondContact O-N 2.96Å; L306-R309 PolarHBondContact O-N 2.97Å; L306-L310 VanDerWaalsContact O-CB 3.32Å; L306-L310 WeakPolarHBondContact O-CB 3.5Å; L306-L310 PolarHBondContact O-N 2.88Å
307S86.1Confident84.8Confident57 Ų5785.1 Ų85.140%0.39944%0.436SS..Hα-helixtrans-64.7-46.9175.5-70.80000112.5I303 R304 D305 R309 L310 Q311I303-S307 WeakPolarHBondContact O-CB 3.19Å; I303-S307 PolarHBondContact O-N 2.96Å; I303-S307 PolarHBondContact O-OG 3.39Å; R304-S307 PolarHBondContact O-N 3.38Å; D305-S307 PolarHBondContact O-N 2.99Å; S307-R309 VanDerWaalsContact C-N 3.31Å; S307-R309 PolarHBondContact O-N 3.14Å; S307-L310 WeakPolarHBondContact O-CB 3.38Å; S307-L310 PolarHBondContact O-N 3.24Å; S307-Q311 WeakPolarHBondContact O-CB 3.39Å; S307-Q311 PolarHBondContact O-N 3.4Å
308H84.8Confident85.2Confident108 Ų10885.2 Ų85.250%0.543%0.429SS..Hα-helixtrans-62.3-38.2175.4-74.6-47.4000112.2R304 D305 Q311 G312R304-H308 PolarHBondContact O-CD2 3.45Å; R304-H308 PolarHBondContact O-N 3.13Å; D305-H308 PolarHBondContact O-N 3.1Å; H308-Q311 PolarHBondContact O-N 2.88Å; H308-G312 PolarHBondContact O-N 3.46Å
309R88.2Confident85.3Confident148 Ų14885.2 Ų85.256%0.55843%0.431SS*.Hα-helixtrans-67.2-40.4174-72.7170.363.4-169.6-2.5111.9D305 L306 S307 G312 L313D305-R309 WeakPolarHBondContact O-CB 3.3Å; D305-R309 VanDerWaalsContact O-CG 3.25Å; D305-R309 WeakPolarHBondContact O-CG 3.35Å; D305-R309 PolarHBondContact O-N 3.43Å; D305-R309 WeakPolarHBondContact OD2-CD 3.11Å; D305-R309 IonicContact OD2-NH1 3.73Å; D305-R309 PolarHBondContact OD2-NH1 3.06Å; L306-R309 PolarHBondContact O-N 2.97Å; S307-R309 VanDerWaalsContact C-N 3.31Å; S307-R309 PolarHBondContact O-N 3.14Å; R309-G312 PolarHBondContact O-N 2.9Å; R309-L313 WeakPolarHBondContact O-CB 3.11Å; R309-L313 WeakPolarHBondContact O-CG 3.38Å; R309-L313 PolarHBondContact O-N 3.35Å
310L87.2Confident85.4Confident99 Ų9985.2 Ų85.252%0.51843%0.431SS..Hα-helixtrans-61.2-44.8174.5-172.371.1000111L306 S307 L313 Q314L306-L310 VanDerWaalsContact O-CB 3.32Å; L306-L310 WeakPolarHBondContact O-CB 3.5Å; L306-L310 PolarHBondContact O-N 2.88Å; S307-L310 WeakPolarHBondContact O-CB 3.38Å; S307-L310 PolarHBondContact O-N 3.24Å; L310-L313 CarbonylContact O-C 3.58Å; L310-L313 PolarHBondContact O-N 3.24Å; L310-Q314 VanDerWaalsContact O-CB 3.28Å; L310-Q314 WeakPolarHBondContact O-CB 3.32Å; L310-Q314 PolarHBondContact O-N 2.89Å
311Q87.5Confident85.9Confident78 Ų7886.9 Ų86.936%0.36444%0.442SS..Hα-helixtrans-64.8-39.1177.2-173.4175.461.600112.6D172 S307 H308 Q314 T315D172-Q311 PolarHBondContact OD2-NE2 3.19Å; S307-Q311 WeakPolarHBondContact O-CB 3.39Å; S307-Q311 PolarHBondContact O-N 3.4Å; H308-Q311 PolarHBondContact O-N 2.88Å; Q311-Q314 PolarHBondContact O-N 3.45Å; Q311-T315 WeakPolarHBondContact O-CG2 3.48Å; Q311-T315 PolarHBondContact O-N 3.17Å; Q311-T315 PolarHBondContact O-OG1 2.76Å
312G86Confident86.2Confident38 Ų3890.3 Ų90.339%0.39244%0.444SS..Hα-helixtrans-65.3-37.7170.400000113.1H308 R309 T315 S316H308-G312 PolarHBondContact O-N 3.46Å; R309-G312 PolarHBondContact O-N 2.9Å; G312-T315 PolarHBondContact O-OG1 3.2Å; G312-S316 WeakPolarHBondContact O-CB 3.39Å; G312-S316 PolarHBondContact O-N 2.93Å
313L84.2Confident86.2Confident84 Ų8489.2 Ų89.244%0.4444%0.439SS..Hα-helixtrans-72.1-33.9175.3-69.5167.5000112.2R309 L310 R317 R1543R309-L313 WeakPolarHBondContact O-CB 3.11Å; R309-L313 WeakPolarHBondContact O-CG 3.38Å; R309-L313 PolarHBondContact O-N 3.35Å; L310-L313 CarbonylContact O-C 3.58Å; L310-L313 PolarHBondContact O-N 3.24Å; L313-R317 WeakPolarHBondContact O-CB 3.17Å; L313-R317 PolarHBondContact O-N 3.42Å; L313-R1543 PolarHBondContact O-NH2 3.46Å
314Q85.2Confident86.3Confident84 Ų8489.5 Ų89.539%0.39344%0.444SS..Hα-helixtrans-66-54.5174.9179.6109.8-2700110.5L310 Q311 S316 R317 D318L310-Q314 VanDerWaalsContact O-CB 3.28Å; L310-Q314 WeakPolarHBondContact O-CB 3.32Å; L310-Q314 PolarHBondContact O-N 2.89Å; Q311-Q314 PolarHBondContact O-N 3.45Å; Q314-S316 VanDerWaalsContact C-N 3.3Å; Q314-S316 PolarHBondContact O-N 2.73Å; Q314-R317 WeakPolarHBondContact O-CB 3.37Å; Q314-R317 PolarHBondContact O-N 2.97Å; Q314-R317 VanDerWaalsContact O-N 3.08Å; Q314-D318 PolarHBondContact O-N 3.22Å
315T87.8Confident86.6Confident82 Ų8287.8 Ų87.850%0.50344%0.442SS..Hα-helixtrans-61.4-37.6176.650.50000112.4Q311 G312 D318 M319Q311-T315 WeakPolarHBondContact O-CG2 3.48Å; Q311-T315 PolarHBondContact O-N 3.17Å; Q311-T315 PolarHBondContact O-OG1 2.76Å; G312-T315 PolarHBondContact O-OG1 3.2Å; T315-D318 PolarHBondContact O-N 3.5Å; T315-M319 WeakPolarHBondContact O-CB 3.48Å; T315-M319 WeakPolarHBondContact O-CG 3.32Å; T315-M319 PolarHBondContact O-N 3.48Å
316S88.3Confident87Confident39 Ų3988.2 Ų88.227%0.27344%0.437SS..Hα-helixtrans-59.7-45.5170.2162.40000113G312 Q314 D318 N320 R1543G312-S316 WeakPolarHBondContact O-CB 3.39Å; G312-S316 PolarHBondContact O-N 2.93Å; Q314-S316 VanDerWaalsContact C-N 3.3Å; Q314-S316 PolarHBondContact O-N 2.73Å; S316-D318 VanDerWaalsContact C-N 3.35Å; S316-N320 WeakPolarHBondContact O-CB 3.42Å; S316-N320 VanDerWaalsContact O-CG 3.27Å; S316-N320 PolarHBondContact O-N 2.96Å; S316-N320 PolarHBondContact O-OD1 3.49Å; S316-R1543 PolarHBondContact OG-NH1 3.47Å; S316-R1543 PolarHBondContact OG-NH2 3.43Å
317R82.8Confident86.9Confident87 Ų8787.6 Ų87.633%0.32843%0.434SS..Hα-helixtrans-60.6-45.7176.8177.2-161.668.9-148.2-5110.7L313 Q314 N320 H321L313-R317 WeakPolarHBondContact O-CB 3.17Å; L313-R317 PolarHBondContact O-N 3.42Å; Q314-R317 WeakPolarHBondContact O-CB 3.37Å; Q314-R317 PolarHBondContact O-N 2.97Å; Q314-R317 VanDerWaalsContact O-N 3.08Å; R317-N320 PolarHBondContact O-N 3.48Å; R317-H321 WeakPolarHBondContact O-CB 3.48Å; R317-H321 PolarHBondContact O-N 3.15Å
318D87.2Confident87Confident53 Ų5390.4 Ų90.428%0.28344%0.441SS..Hα-helixtrans-73.9-33.2-173.7-58.5-20000111.8Q314 T315 S316 R322Q314-D318 PolarHBondContact O-N 3.22Å; T315-D318 PolarHBondContact O-N 3.5Å; S316-D318 VanDerWaalsContact C-N 3.35Å; D318-R322 WeakPolarHBondContact O-CG 3.3Å; D318-R322 PolarHBondContact O-N 3.47Å; D318-R322 VanDerWaalsContact O-N 3.1Å
319M85.3Confident87.2Confident111 Ų11192.1 Ų92.155%0.54744%0.443SS..Hα-helixtrans-62.1-48.6166.6-77.5-64.9-71.100112.2T315 H321 R322 E323T315-M319 WeakPolarHBondContact O-CB 3.48Å; T315-M319 WeakPolarHBondContact O-CG 3.32Å; T315-M319 PolarHBondContact O-N 3.48Å; M319-H321 VanDerWaalsContact C-N 3.3Å; M319-H321 PolarHBondContact O-N 3.02Å; M319-R322 PolarHBondContact O-N 2.9Å; M319-R322 PolarHBondContact SD-NH2 3.14Å; M319-E323 PolarHBondContact O-N 3.11Å
320N87.3Confident87.1Confident86 Ų8688.9 Ų88.946%0.4643%0.434SS..Hα-helixtrans-62.6-37.8178.2-73.41.9000111.7S316 R317 E323 V324S316-N320 WeakPolarHBondContact O-CB 3.42Å; S316-N320 VanDerWaalsContact O-CG 3.27Å; S316-N320 PolarHBondContact O-N 2.96Å; S316-N320 PolarHBondContact O-OD1 3.49Å; R317-N320 PolarHBondContact O-N 3.48Å; N320-E323 PolarHBondContact O-N 3.27Å; N320-V324 WeakPolarHBondContact O-CG2 3.4Å; N320-V324 PolarHBondContact O-N 3.06Å
321H89.8Confident87Confident109 Ų10989.1 Ų89.151%0.50543%0.431SS..Hα-helixtrans-65-41.7176.7-167.178.4000111.9R317 M319 V324 Q325R317-H321 WeakPolarHBondContact O-CB 3.48Å; R317-H321 PolarHBondContact O-N 3.15Å; M319-H321 VanDerWaalsContact C-N 3.3Å; M319-H321 PolarHBondContact O-N 3.02Å; H321-V324 PolarHBondContact O-N 2.93Å; H321-Q325 PolarHBondContact CD2-NE2 3.43Å; H321-Q325 PolarHBondContact NE2-NE2 2.76Å; H321-Q325 WeakPolarHBondContact O-CG 3.26Å; H321-Q325 PolarHBondContact O-N 3.17Å
322R87.9Confident87Confident141 Ų14189 Ų8953%0.53243%0.43SS..Hα-helixtrans-61.2-41.5172.6-75-174.1-72.7-105.64.5112.4D318 M319 Q325 R326D318-R322 WeakPolarHBondContact O-CG 3.3Å; D318-R322 PolarHBondContact O-N 3.47Å; D318-R322 VanDerWaalsContact O-N 3.1Å; M319-R322 PolarHBondContact O-N 2.9Å; M319-R322 PolarHBondContact SD-NH2 3.14Å; R322-Q325 PolarHBondContact O-N 3.27Å; R322-R326 PolarHBondContact O-N 3.2Å
323E88.1Confident87.2Confident79 Ų7993.7 Ų93.737%0.36944%0.442SS..Hα-helixtrans-69.5-38.4178.7-17662-176.400112.3M319 N320 Q325 R326 L327M319-E323 PolarHBondContact O-N 3.11Å; N320-E323 PolarHBondContact O-N 3.27Å; E323-Q325 VanDerWaalsContact C-N 3.34Å; E323-Q325 PolarHBondContact O-N 2.76Å; E323-R326 VanDerWaalsContact CD-NE 3.32Å; E323-R326 WeakPolarHBondContact O-CB 3.37Å; E323-R326 PolarHBondContact O-N 2.73Å; E323-R326 VanDerWaalsContact O-N 3.12Å; E323-R326 IonicContact OE1-CZ 3.13Å; E323-R326 IonicContact OE1-NE 2.75Å; E323-R326 PolarHBondContact OE1-NE 2.84Å; E323-R326 VanDerWaalsContact OE1-NE 3.17Å; E323-R326 IonicContact OE1-NH2 2.68Å; E323-R326 PolarHBondContact OE1-NH2 3.5Å; E323-R326 WeakPolarHBondContact OE2-CD 3.39Å; E323-R326 IonicContact OE2-CZ 3.23Å; E323-R326 IonicContact OE2-NE 3.12Å; E323-R326 PolarHBondContact OE2-NE 3.44Å; E323-R326 IonicContact OE2-NH2 2.78Å; E323-L327 HydrophobicContact CG-CD1 4.18Å; E323-L327 WeakPolarHBondContact O-CG 3.32Å; E323-L327 PolarHBondContact O-N 3.36Å
324V86.3Confident87.5Confident87 Ų8794.5 Ų94.553%0.52745%0.446SS..Hα-helixtrans-59.8-43.7171.21680000111.1N320 H321 R326 L327 Q328N320-V324 WeakPolarHBondContact O-CG2 3.4Å; N320-V324 PolarHBondContact O-N 3.06Å; H321-V324 PolarHBondContact O-N 2.93Å; V324-R326 VanDerWaalsContact C-N 3.31Å; V324-R326 PolarHBondContact O-N 3.26Å; V324-L327 PolarHBondContact O-N 2.88Å; V324-Q328 WeakPolarHBondContact O-CB 3.35Å; V324-Q328 PolarHBondContact O-N 3.45Å
325Q90.3Very high87.6Confident91 Ų9197.3 Ų97.343%0.42545%0.453SS..Hα-helixtrans-64.3-33.8174.4-68.8-177.91500112.8H321 R322 E323 R329H321-Q325 PolarHBondContact CD2-NE2 3.43Å; H321-Q325 PolarHBondContact NE2-NE2 2.76Å; H321-Q325 WeakPolarHBondContact O-CG 3.26Å; H321-Q325 PolarHBondContact O-N 3.17Å; R322-Q325 PolarHBondContact O-N 3.27Å; E323-Q325 VanDerWaalsContact C-N 3.34Å; E323-Q325 PolarHBondContact O-N 2.76Å; Q325-R329 PolarHBondContact O-N 2.86Å; Q325-R329 PolarHBondContact O-NE 3.45Å
326R90.8Very high87.7Confident95 Ų9597.1 Ų97.136%0.35845%0.449SS..Hα-helixtrans-66.4-50175.6-165.6-165.76766.56.1111R322 E323 V324 Q328 R329 E330R322-R326 PolarHBondContact O-N 3.2Å; E323-R326 VanDerWaalsContact CD-NE 3.32Å; E323-R326 WeakPolarHBondContact O-CB 3.37Å; E323-R326 PolarHBondContact O-N 2.73Å; E323-R326 VanDerWaalsContact O-N 3.12Å; E323-R326 IonicContact OE1-CZ 3.13Å; E323-R326 IonicContact OE1-NE 2.75Å; E323-R326 PolarHBondContact OE1-NE 2.84Å; E323-R326 VanDerWaalsContact OE1-NE 3.17Å; E323-R326 IonicContact OE1-NH2 2.68Å; E323-R326 PolarHBondContact OE1-NH2 3.5Å; E323-R326 WeakPolarHBondContact OE2-CD 3.39Å; E323-R326 IonicContact OE2-CZ 3.23Å; E323-R326 IonicContact OE2-NE 3.12Å; E323-R326 PolarHBondContact OE2-NE 3.44Å; E323-R326 IonicContact OE2-NH2 2.78Å; V324-R326 VanDerWaalsContact C-N 3.31Å; V324-R326 PolarHBondContact O-N 3.26Å; R326-Q328 VanDerWaalsContact C-N 3.33Å; R326-Q328 PolarHBondContact O-N 2.76Å; R326-R329 PolarHBondContact O-N 2.88Å; R326-E330 IonicContact CZ-OE2 3.16Å; R326-E330 IonicContact NH1-OE2 2.63Å; R326-E330 PolarHBondContact NH1-OE2 3.27Å; R326-E330 IonicContact NH2-OE2 3.29Å; R326-E330 PolarHBondContact O-N 3.21Å
327L84.6Confident87.8Confident84 Ų8499.4 Ų99.444%0.4446%0.456SS..Hα-helixtrans-63.1-36.4177.9-71.1168.2000112.3E323 V324 R329 E330 K331E323-L327 HydrophobicContact CG-CD1 4.18Å; E323-L327 WeakPolarHBondContact O-CG 3.32Å; E323-L327 PolarHBondContact O-N 3.36Å; V324-L327 PolarHBondContact O-N 2.88Å; L327-R329 VanDerWaalsContact C-N 3.35Å; L327-E330 PolarHBondContact O-N 3.4Å; L327-K331 WeakPolarHBondContact O-CB 3.46Å; L327-K331 PolarHBondContact O-N 3.46Å
328Q86.5Confident88Confident115 Ų115100.5 Ų100.554%0.53747%0.468SS..Hα-helixtrans-65.6-37175.6-166.672-1.600112V324 R326 E332V324-Q328 WeakPolarHBondContact O-CB 3.35Å; V324-Q328 PolarHBondContact O-N 3.45Å; R326-Q328 VanDerWaalsContact C-N 3.33Å; R326-Q328 PolarHBondContact O-N 2.76Å; Q328-E332 PolarHBondContact O-N 2.81Å
329R89Confident88Confident144 Ų144101.8 Ų101.854%0.54348%0.477SS..Hα-helixtrans-68.8-43.6173.2-80.5177.9-90.1116.8-6.8112.2Q325 R326 L327 K331 E332 Q333Q325-R329 PolarHBondContact O-N 2.86Å; Q325-R329 PolarHBondContact O-NE 3.45Å; R326-R329 PolarHBondContact O-N 2.88Å; L327-R329 VanDerWaalsContact C-N 3.35Å; R329-K331 VanDerWaalsContact C-N 3.33Å; R329-K331 PolarHBondContact O-N 3.37Å; R329-E332 PolarHBondContact O-N 2.87Å; R329-Q333 WeakPolarHBondContact O-CG 3.3Å; R329-Q333 PolarHBondContact O-N 2.84Å
330E86.4Confident88.2Confident81 Ų81100.7 Ų100.738%0.37947%0.474SS..Hα-helixtrans-61.4-40.5175.4-170.2177.6169.100111.6R326 L327 Q333 L334R326-E330 IonicContact CZ-OE2 3.16Å; R326-E330 IonicContact NH1-OE2 2.63Å; R326-E330 PolarHBondContact NH1-OE2 3.27Å; R326-E330 IonicContact NH2-OE2 3.29Å; R326-E330 PolarHBondContact O-N 3.21Å; L327-E330 PolarHBondContact O-N 3.4Å; E330-Q333 PolarHBondContact O-N 2.89Å; E330-L334 HydrophobicContact CG-CD1 4.43Å; E330-L334 WeakPolarHBondContact O-CG 3.29Å; E330-L334 PolarHBondContact O-N 2.87Å
331K86.4Confident88.4Confident104 Ų104100.4 Ų100.445%0.45247%0.47SS..Hα-helixtrans-59.3-46.2173.7178.9171-179.71640112.4L327 R329 L334 R335 E1530L327-K331 WeakPolarHBondContact O-CB 3.46Å; L327-K331 PolarHBondContact O-N 3.46Å; R329-K331 VanDerWaalsContact C-N 3.33Å; R329-K331 PolarHBondContact O-N 3.37Å; K331-L334 PolarHBondContact O-N 3.3Å; K331-R335 WeakPolarHBondContact O-CB 3.44Å; K331-R335 PolarHBondContact O-N 2.91Å; K331-E1530 IonicContact NZ-OE1 3.67Å
332E87.3Confident88.3Confident74 Ų7499.1 Ų99.135%0.34647%0.469SS..Hα-helixtrans-72.8-32.4-179.4-160.262.2-161.800112.1Q328 R329 R335 N336Q328-E332 PolarHBondContact O-N 2.81Å; R329-E332 PolarHBondContact O-N 2.87Å; E332-R335 VanDerWaalsContact CD-NE 3.3Å; E332-R335 PolarHBondContact O-N 3.41Å; E332-R335 IonicContact OE1-CZ 3.21Å; E332-R335 IonicContact OE1-NE 2.77Å; E332-R335 PolarHBondContact OE1-NE 3.43Å; E332-R335 IonicContact OE1-NH2 2.77Å; E332-R335 PolarHBondContact OE1-NH2 3.13Å; E332-R335 WeakPolarHBondContact OE2-CD 3.43Å; E332-R335 IonicContact OE2-NE 3.74Å; E332-R335 PolarHBondContact OE2-NE 3.45Å; E332-R335 VanDerWaalsContact OE2-NE 3.12Å; E332-N336 WeakPolarHBondContact O-CB 3.47Å; E332-N336 VanDerWaalsContact O-CG 3.27Å; E332-N336 PolarHBondContact O-N 3.31Å; E332-N336 PolarHBondContact O-ND2 3.05Å; E332-N336 VanDerWaalsContact O-ND2 3.15Å
333Q90Very high88.2Confident138 Ų13895.3 Ų95.365%0.64546%0.464SS*.Hα-helixtrans-60.4-49.2170.1-75.7177.2-30.200111.7R329 E330 R335 N336 E337R329-Q333 WeakPolarHBondContact O-CG 3.3Å; R329-Q333 PolarHBondContact O-N 2.84Å; E330-Q333 PolarHBondContact O-N 2.89Å; Q333-R335 VanDerWaalsContact C-N 3.31Å; Q333-R335 PolarHBondContact O-N 3.12Å; Q333-N336 PolarHBondContact O-N 3.14Å; Q333-E337 PolarHBondContact O-N 3.49Å
334L90.4Very high88.2Confident101 Ų101100.2 Ų100.253%0.52948%0.479SS..Hα-helixtrans-63.8-35.2176.8-69.9170.9000112.6E330 K331 L338E330-L334 HydrophobicContact CG-CD1 4.43Å; E330-L334 WeakPolarHBondContact O-CG 3.29Å; E330-L334 PolarHBondContact O-N 2.87Å; K331-L334 PolarHBondContact O-N 3.3Å; L334-L338 WeakPolarHBondContact O-CB 3.36Å; L334-L338 PolarHBondContact O-N 2.99Å
335R87.6Confident88.3Confident142 Ų142102.5 Ų102.554%0.53648%0.479SS..Hα-helixtrans-65.4-42.2174.5-173.9173.111491.95.6112K331 E332 Q333 T339K331-R335 WeakPolarHBondContact O-CB 3.44Å; K331-R335 PolarHBondContact O-N 2.91Å; E332-R335 VanDerWaalsContact CD-NE 3.3Å; E332-R335 PolarHBondContact O-N 3.41Å; E332-R335 IonicContact OE1-CZ 3.21Å; E332-R335 IonicContact OE1-NE 2.77Å; E332-R335 PolarHBondContact OE1-NE 3.43Å; E332-R335 IonicContact OE1-NH2 2.77Å; E332-R335 PolarHBondContact OE1-NH2 3.13Å; E332-R335 WeakPolarHBondContact OE2-CD 3.43Å; E332-R335 IonicContact OE2-NE 3.74Å; E332-R335 PolarHBondContact OE2-NE 3.45Å; E332-R335 VanDerWaalsContact OE2-NE 3.12Å; Q333-R335 VanDerWaalsContact C-N 3.31Å; Q333-R335 PolarHBondContact O-N 3.12Å; R335-T339 WeakPolarHBondContact O-CB 3.41Å; R335-T339 PolarHBondContact O-N 3.38Å; R335-T339 PolarHBondContact O-OG1 2.89Å
336N88.8Confident88.3Confident78 Ų78102.4 Ų102.442%0.41748%0.479SS..Hα-helixtrans-69.7-40.1177.1-72.2-31.2000112.1E332 Q333 T339 N340E332-N336 WeakPolarHBondContact O-CB 3.47Å; E332-N336 VanDerWaalsContact O-CG 3.27Å; E332-N336 PolarHBondContact O-N 3.31Å; E332-N336 PolarHBondContact O-ND2 3.05Å; E332-N336 VanDerWaalsContact O-ND2 3.15Å; Q333-N336 PolarHBondContact O-N 3.14Å; N336-T339 WeakPolarHBondContact O-CB 3.44Å; N336-T339 PolarHBondContact O-N 3.31Å; N336-N340 PolarHBondContact O-N 2.89Å; N336-N340 PolarHBondContact O-ND2 3.36Å
337E91.3Very high88.2Confident88 Ų88102.6 Ų102.641%0.41149%0.487SS..Hα-helixtrans-63-44.6174.3-179.652.8-150.800111.8Q333 T339 N340 Q341Q333-E337 PolarHBondContact O-N 3.49Å; E337-T339 VanDerWaalsContact C-N 3.3Å; E337-T339 PolarHBondContact O-N 3.45Å; E337-N340 PolarHBondContact O-N 2.93Å; E337-Q341 WeakPolarHBondContact O-CG 3.35Å; E337-Q341 PolarHBondContact O-N 2.97Å; E337-Q341 PolarHBondContact OE1-NE2 3.38Å
338L87.5Confident88.5Confident110 Ų110106.4 Ų106.458%0.57650%0.496SS*.Hα-helixtrans-60-40.3173-179.662.8000111.9L334 Q341 V342L334-L338 WeakPolarHBondContact O-CB 3.36Å; L334-L338 PolarHBondContact O-N 2.99Å; L338-Q341 PolarHBondContact O-N 3.39Å; L338-V342 WeakPolarHBondContact O-CG2 3.44Å; L338-V342 PolarHBondContact O-N 2.98Å
339T86.5Confident88.7Confident80 Ų80104.3 Ų104.349%0.49149%0.487SS..Hα-helixtrans-64.3-42.2176.9-56.10000111.5R335 N336 E337 V342 S343R335-T339 WeakPolarHBondContact O-CB 3.41Å; R335-T339 PolarHBondContact O-N 3.38Å; R335-T339 PolarHBondContact O-OG1 2.89Å; N336-T339 WeakPolarHBondContact O-CB 3.44Å; N336-T339 PolarHBondContact O-N 3.31Å; E337-T339 VanDerWaalsContact C-N 3.3Å; E337-T339 PolarHBondContact O-N 3.45Å; T339-V342 PolarHBondContact O-N 2.9Å; T339-S343 PolarHBondContact O-N 2.94Å
340N90Very high88.8Confident87 Ų87101.4 Ų101.447%0.46549%0.486SS..Hα-helixtrans-63.6-41175.4-73.7-27.3000112.3N336 E337 S343 R344N336-N340 PolarHBondContact O-N 2.89Å; N336-N340 PolarHBondContact O-ND2 3.36Å; E337-N340 PolarHBondContact O-N 2.93Å; N340-S343 PolarHBondContact O-N 3.34Å; N340-R344 WeakPolarHBondContact O-CG 3.48Å; N340-R344 PolarHBondContact O-N 3.43Å
341Q90.8Very high89Confident81 Ų81103.3 Ų103.338%0.37950%0.495SS..Hα-helixtrans-65.4-43.6175.4-70.2-175.626.200111.6E337 L338 S343 R344 Y345E337-Q341 WeakPolarHBondContact O-CG 3.35Å; E337-Q341 PolarHBondContact O-N 2.97Å; E337-Q341 PolarHBondContact OE1-NE2 3.38Å; L338-Q341 PolarHBondContact O-N 3.39Å; Q341-S343 VanDerWaalsContact C-N 3.32Å; Q341-S343 PolarHBondContact O-N 3.29Å; Q341-R344 PolarHBondContact O-N 2.91Å; Q341-Y345 HydrophobicContact CB-CE2 4.32Å; Q341-Y345 WeakPolarHBondContact O-CD2 3.43Å; Q341-Y345 PolarHBondContact O-N 2.91Å
342V87.9Confident89.3Confident82 Ų82102.5 Ų102.550%0.49750%0.495SS..Hα-helixtrans-58.7-42.3174.3169.70000111.4L338 T339 Y345 E346L338-V342 WeakPolarHBondContact O-CG2 3.44Å; L338-V342 PolarHBondContact O-N 2.98Å; T339-V342 PolarHBondContact O-N 2.9Å; V342-Y345 PolarHBondContact O-N 3.09Å; V342-E346 PolarHBondContact O-N 3.47Å
343S85.5Confident89.3Confident60 Ų60103.2 Ų103.242%0.4250%0.498SS..Hα-helixtrans-58.6-50.5174.1-166.90000111.6T339 N340 Q341 Y345 E346 D347T339-S343 PolarHBondContact O-N 2.94Å; N340-S343 PolarHBondContact O-N 3.34Å; Q341-S343 VanDerWaalsContact C-N 3.32Å; Q341-S343 PolarHBondContact O-N 3.29Å; S343-Y345 PolarHBondContact O-N 2.88Å; S343-E346 PolarHBondContact O-N 3.1Å; S343-D347 PolarHBondContact O-N 3.42Å; S343-D347 VanDerWaalsContact O-OD2 3.09Å
344R88.7Confident89.2Confident183 Ų183100.6 Ų100.669%0.69150%0.495SS*.Hα-helixtrans-59.5-33.8178.6-69.7175.9-177.2-169.63.2113N340 Q341 R348N340-R344 WeakPolarHBondContact O-CG 3.48Å; N340-R344 PolarHBondContact O-N 3.43Å; Q341-R344 PolarHBondContact O-N 2.91Å; R344-R348 WeakPolarHBondContact O-CB 3.27Å; R344-R348 PolarHBondContact O-N 2.9Å; R344-R348 VanDerWaalsContact O-N 3.08Å
345Y88.8Confident89.3Confident135 Ų13599.1 Ų99.153%0.52949%0.49SS..Hα-helixtrans-74.2-35.9173.7-71.1-59000112.7Q341 V342 S343 L349Q341-Y345 HydrophobicContact CB-CE2 4.32Å; Q341-Y345 WeakPolarHBondContact O-CD2 3.43Å; Q341-Y345 PolarHBondContact O-N 2.91Å; V342-Y345 PolarHBondContact O-N 3.09Å; S343-Y345 PolarHBondContact O-N 2.88Å; Y345-L349 WeakPolarHBondContact O-CB 3.06Å; Y345-L349 PolarHBondContact O-N 3.18Å
346E90Very high89.2Confident88 Ų8896.1 Ų96.141%0.41148%0.484SS..Hα-helixtrans-68.9-38.3173.1-177.5154-14800111.9V342 S343 L349 T350 K1395V342-E346 PolarHBondContact O-N 3.47Å; S343-E346 PolarHBondContact O-N 3.1Å; E346-L349 PolarHBondContact O-N 3.44Å; E346-T350 WeakPolarHBondContact O-CB 3.43Å; E346-T350 PolarHBondContact O-N 3.25Å; E346-T350 PolarHBondContact O-OG1 2.95Å; E346-K1395 VanDerWaalsContact CD-NZ 3.33Å; E346-K1395 IonicContact OE1-NZ 2.71Å; E346-K1395 PolarHBondContact OE1-NZ 3.41Å; E346-K1395 IonicContact OE2-NZ 3.35Å; E346-K1395 PolarHBondContact OE2-NZ 3.3Å
347D88.3Confident89.1Confident100 Ų10094.8 Ų94.854%0.53548%0.484SS..Hα-helixtrans-60.3-52.8172.7-69.9-45000111.1S343 L349 T350 E351S343-D347 PolarHBondContact O-N 3.42Å; S343-D347 VanDerWaalsContact O-OD2 3.09Å; D347-L349 VanDerWaalsContact C-N 3.32Å; D347-L349 PolarHBondContact O-N 2.99Å; D347-T350 WeakPolarHBondContact O-CA 3.32Å; D347-T350 WeakPolarHBondContact O-CB 3.3Å; D347-T350 PolarHBondContact O-N 3.47Å; D347-E351 PolarHBondContact O-N 3.49Å
348R90.2Very high88.9Confident164 Ų16493.3 Ų93.362%0.61948%0.477SS*.Hα-helixtrans-67.8-30.8179.3-167170.5-176.9-173.7-3.1112.7R344 T350 L352R344-R348 WeakPolarHBondContact O-CB 3.27Å; R344-R348 PolarHBondContact O-N 2.9Å; R344-R348 VanDerWaalsContact O-N 3.08Å; R348-T350 VanDerWaalsContact C-N 3.33Å; R348-L352 WeakPolarHBondContact O-CB 3.45Å; R348-L352 VanDerWaalsContact O-CG 3.28Å; R348-L352 WeakPolarHBondContact O-CG 3.38Å; R348-L352 PolarHBondContact O-N 3.03Å
349L91.2Very high88.9Confident70 Ų7093.1 Ų93.137%0.36648%0.476SS..Hα-helixtrans-67.4-35.3170.8-176.961.7000111.4Y345 E346 D347 H353 I1399Y345-L349 WeakPolarHBondContact O-CB 3.06Å; Y345-L349 PolarHBondContact O-N 3.18Å; E346-L349 PolarHBondContact O-N 3.44Å; D347-L349 VanDerWaalsContact C-N 3.32Å; D347-L349 PolarHBondContact O-N 2.99Å; L349-H353 PolarHBondContact O-N 3.04Å; L349-H353 PolarHBondContact O-ND1 3.12Å; L349-I1399 HydrophobicContact CD2-CD1 4.46Å
350T90.4Very high88.7Confident84 Ų8497 Ų9752%0.51548%0.482SS..Hα-helixtrans-71.9-40.8176.3-57.90000111.5E346 D347 R348 H353 S354E346-T350 WeakPolarHBondContact O-CB 3.43Å; E346-T350 PolarHBondContact O-N 3.25Å; E346-T350 PolarHBondContact O-OG1 2.95Å; D347-T350 WeakPolarHBondContact O-CA 3.32Å; D347-T350 WeakPolarHBondContact O-CB 3.3Å; D347-T350 PolarHBondContact O-N 3.47Å; R348-T350 VanDerWaalsContact C-N 3.33Å; T350-H353 PolarHBondContact O-N 3.14Å; T350-S354 PolarHBondContact O-N 3.03Å
351E91.5Very high88.4Confident120 Ų12098.1 Ų98.156%0.56148%0.479SS*.Hα-helixtrans-55.8-51169.2-175.2-172.5-167.400110.9D347 H353 S354 V355D347-E351 PolarHBondContact O-N 3.49Å; E351-H353 VanDerWaalsContact C-N 3.34Å; E351-H353 PolarHBondContact O-N 2.96Å; E351-S354 WeakPolarHBondContact O-CA 3.49Å; E351-S354 WeakPolarHBondContact O-CB 3.26Å; E351-S354 PolarHBondContact O-N 3.38Å; E351-V355 WeakPolarHBondContact O-CG2 3.35Å; E351-V355 PolarHBondContact O-N 2.88Å
352L92.6Very high88.1Confident88 Ų88101.5 Ų101.546%0.46149%0.488SS..Hα-helixtrans-60.7-39.1177.8-75.9169.7000112.8R348 S354 V355 I356R348-L352 WeakPolarHBondContact O-CB 3.45Å; R348-L352 VanDerWaalsContact O-CG 3.28Å; R348-L352 WeakPolarHBondContact O-CG 3.38Å; R348-L352 PolarHBondContact O-N 3.03Å; L352-S354 VanDerWaalsContact C-N 3.32Å; L352-S354 PolarHBondContact O-N 3.47Å; L352-V355 PolarHBondContact O-N 3.26Å; L352-I356 WeakPolarHBondContact O-CB 3.39Å; L352-I356 WeakPolarHBondContact O-CD1 3.49Å; L352-I356 WeakPolarHBondContact O-CG1 3.5Å; L352-I356 PolarHBondContact O-N 3.5Å
353H87.4Confident87.6Confident89 Ų89103.1 Ų103.141%0.41249%0.494SS..Hα-helixtrans-63.4-38.2173-80.597.5000112.3L349 T350 E351 I356 A357L349-H353 PolarHBondContact O-N 3.04Å; L349-H353 PolarHBondContact O-ND1 3.12Å; T350-H353 PolarHBondContact O-N 3.14Å; E351-H353 VanDerWaalsContact C-N 3.34Å; E351-H353 PolarHBondContact O-N 2.96Å; H353-I356 PolarHBondContact O-N 2.84Å; H353-A357 WeakPolarHBondContact O-CB 3.39Å; H353-A357 PolarHBondContact O-N 3.01Å
354S88.2Confident87.1Confident83 Ų83103.9 Ų103.958%0.5849%0.491SS*.Hα-helixtrans-65-45.1174.9-159.70000111.8T350 E351 L352 I356 A357 E358T350-S354 PolarHBondContact O-N 3.03Å; E351-S354 WeakPolarHBondContact O-CA 3.49Å; E351-S354 WeakPolarHBondContact O-CB 3.26Å; E351-S354 PolarHBondContact O-N 3.38Å; L352-S354 VanDerWaalsContact C-N 3.32Å; L352-S354 PolarHBondContact O-N 3.47Å; S354-I356 PolarHBondContact O-N 3.11Å; S354-A357 PolarHBondContact O-N 3.48Å; S354-E358 WeakPolarHBondContact O-CB 3.42Å; S354-E358 PolarHBondContact O-N 3.3Å
355V91.5Very high86.1Confident69 Ų69100.3 Ų100.342%0.41848%0.482SS..Hα-helixtrans-61.9-41.9174.5173.10000111.5E351 L352 E358 L359E351-V355 WeakPolarHBondContact O-CG2 3.35Å; E351-V355 PolarHBondContact O-N 2.88Å; L352-V355 PolarHBondContact O-N 3.26Å; V355-E358 PolarHBondContact O-N 3.22Å; V355-L359 HydrophobicContact CG1-CD1 3.87Å; V355-L359 HydrophobicContact CG1-CG 4.29Å; V355-L359 WeakPolarHBondContact O-CB 3.44Å; V355-L359 VanDerWaalsContact O-CG 3.27Å; V355-L359 WeakPolarHBondContact O-CG 3.39Å; V355-L359 PolarHBondContact O-N 2.87Å
356I87Confident84.9Confident79 Ų7998.1 Ų98.141%0.40548%0.482SS..Hα-helixtrans-64.4-40176.3-71.5163.4000111.3L352 H353 S354 R360L352-I356 WeakPolarHBondContact O-CB 3.39Å; L352-I356 WeakPolarHBondContact O-CD1 3.49Å; L352-I356 WeakPolarHBondContact O-CG1 3.5Å; L352-I356 PolarHBondContact O-N 3.5Å; H353-I356 PolarHBondContact O-N 2.84Å; S354-I356 PolarHBondContact O-N 3.11Å; I356-R360 VanDerWaalsContact O-CG 3.3Å; I356-R360 WeakPolarHBondContact O-CG 3.45Å; I356-R360 PolarHBondContact O-N 3.22Å
357A86.9Confident83.3Confident51 Ų5198.9 Ų98.942%0.42149%0.486SS..Hα-helixtrans-65-43.1175.700000111.8H353 S354 R360 R361H353-A357 WeakPolarHBondContact O-CB 3.39Å; H353-A357 PolarHBondContact O-N 3.01Å; S354-A357 PolarHBondContact O-N 3.48Å; A357-R360 PolarHBondContact O-N 3.44Å; A357-R361 PolarHBondContact O-N 2.85Å
358E86.4Confident81.8Confident57 Ų5799.1 Ų99.127%0.26650%0.496SS..Hα-helixtrans-67-38.7177.1178.459.2-167.600112.6S354 V355 R361 R362S354-E358 WeakPolarHBondContact O-CB 3.42Å; S354-E358 PolarHBondContact O-N 3.3Å; V355-E358 PolarHBondContact O-N 3.22Å; E358-R361 WeakPolarHBondContact O-CB 3.39Å; E358-R361 PolarHBondContact O-N 2.89Å; E358-R361 IonicContact OE2-CZ 3.23Å; E358-R361 VanDerWaalsContact OE2-CZ 3.23Å; E358-R361 IonicContact OE2-NE 2.82Å; E358-R361 PolarHBondContact OE2-NE 3.38Å; E358-R361 IonicContact OE2-NH2 2.75Å; E358-R361 PolarHBondContact OE2-NH2 2.93Å; E358-R362 WeakPolarHBondContact O-CG 3.5Å; E358-R362 PolarHBondContact O-N 3.47Å; E358-R362 IonicContact OE1-CZ 3.38Å; E358-R362 IonicContact OE1-NE 2.81Å; E358-R362 PolarHBondContact OE1-NE 2.91Å; E358-R362 IonicContact OE1-NH2 3.21Å; E358-R362 PolarHBondContact OE1-NH2 2.97Å
359L86.2Confident79.8Confident105 Ų10597.5 Ų97.555%0.5550%0.499SS..Hα-helixtrans-66.5-37.3174.5-73.7173.2000112.6V355 R362 L363V355-L359 HydrophobicContact CG1-CD1 3.87Å; V355-L359 HydrophobicContact CG1-CG 4.29Å; V355-L359 WeakPolarHBondContact O-CB 3.44Å; V355-L359 VanDerWaalsContact O-CG 3.27Å; V355-L359 WeakPolarHBondContact O-CG 3.39Å; V355-L359 PolarHBondContact O-N 2.87Å; L359-R362 PolarHBondContact O-N 2.6Å; L359-L363 PolarHBondContact O-N 2.91Å
360R83.3Confident77.7Confident162 Ų162100.9 Ų100.961%0.61152%0.516SS*.Hα-helixtrans-62.3-49.6172.2-74172.2-174.9-138.65.9111.3I356 A357 R362 L363 E364I356-R360 VanDerWaalsContact O-CG 3.3Å; I356-R360 WeakPolarHBondContact O-CG 3.45Å; I356-R360 PolarHBondContact O-N 3.22Å; A357-R360 PolarHBondContact O-N 3.44Å; R360-R362 PolarHBondContact O-N 3.14Å; R360-L363 WeakPolarHBondContact O-CB 3.33Å; R360-L363 PolarHBondContact O-N 3.21Å; R360-E364 WeakPolarHBondContact O-CG 3.15Å; R360-E364 PolarHBondContact O-N 3.15Å
361R83.7Confident75.2Confident111 Ų111104.2 Ų104.242%0.41953%0.529SS..Hα-helixtrans-52.2-45176.5-153.8-154.8-39.7-82.7-1111.3A357 E358 H365A357-R361 PolarHBondContact O-N 2.85Å; E358-R361 WeakPolarHBondContact O-CB 3.39Å; E358-R361 PolarHBondContact O-N 2.89Å; E358-R361 IonicContact OE2-CZ 3.23Å; E358-R361 VanDerWaalsContact OE2-CZ 3.23Å; E358-R361 IonicContact OE2-NE 2.82Å; E358-R361 PolarHBondContact OE2-NE 3.38Å; E358-R361 IonicContact OE2-NH2 2.75Å; E358-R361 PolarHBondContact OE2-NH2 2.93Å; R361-H365 PolarHBondContact O-N 3.29Å; R361-H365 VanDerWaalsContact O-N 3.12Å; R361-H365 PolarHBondContact O-ND1 2.99Å
362R83.9Confident72.6Confident151 Ų151106.4 Ų106.457%0.5754%0.539SS*.Hα-helixtrans-67.8-38.5177.6-70.8176.2-169.6-157.42.4113.4E358 L359 R360 H365 T366E358-R362 WeakPolarHBondContact O-CG 3.5Å; E358-R362 PolarHBondContact O-N 3.47Å; E358-R362 IonicContact OE1-CZ 3.38Å; E358-R362 IonicContact OE1-NE 2.81Å; E358-R362 PolarHBondContact OE1-NE 2.91Å; E358-R362 IonicContact OE1-NH2 3.21Å; E358-R362 PolarHBondContact OE1-NH2 2.97Å; L359-R362 PolarHBondContact O-N 2.6Å; R360-R362 PolarHBondContact O-N 3.14Å; R362-H365 PolarHBondContact O-N 3.5Å; R362-T366 PolarHBondContact O-N 2.91Å; R362-T366 PolarHBondContact O-OG1 2.88Å
363L78.1Confident70Confident116 Ų116110.8 Ų110.861%0.60756%0.557SS**Hα-helixtrans-59.4-48.1175.6-166.986.2000110.7L359 R360 H365 T366 E367L359-L363 PolarHBondContact O-N 2.91Å; R360-L363 WeakPolarHBondContact O-CB 3.33Å; R360-L363 PolarHBondContact O-N 3.21Å; L363-H365 VanDerWaalsContact C-N 3.32Å; L363-H365 PolarHBondContact O-N 3.28Å; L363-T366 WeakPolarHBondContact CA-OG1 3.18Å; L363-T366 PolarHBondContact O-N 3.3Å; L363-T366 PolarHBondContact O-OG1 3.43Å; L363-E367 PolarHBondContact O-N 3.36Å
364E75.4Confident67.5Low77 Ų77112.7 Ų112.736%0.3658%0.575SS.*Hα-helixtrans-63.2-37.4178.9-61.6151.8-169.700111.6R360 T366 E367 S368 N400R360-E364 WeakPolarHBondContact O-CG 3.15Å; R360-E364 PolarHBondContact O-N 3.15Å; E364-T366 VanDerWaalsContact C-N 3.32Å; E364-T366 PolarHBondContact O-N 2.98Å; E364-E367 PolarHBondContact O-N 2.88Å; E364-S368 PolarHBondContact O-N 2.8Å; E364-N400 WeakPolarHBondContact CB-ND2 3.38Å; E364-N400 PolarHBondContact OE2-ND2 3.37Å
365H67.1Low65.2Low108 Ų108117.5 Ų117.550%0.559%0.588SS.*Hα-helixtrans-67.7-28.2172.5-76.762.9000113.1R361 R362 L363 N369R361-H365 PolarHBondContact O-N 3.29Å; R361-H365 VanDerWaalsContact O-N 3.12Å; R361-H365 PolarHBondContact O-ND1 2.99Å; R362-H365 PolarHBondContact O-N 3.5Å; L363-H365 VanDerWaalsContact C-N 3.32Å; L363-H365 PolarHBondContact O-N 3.28Å; H365-N369 PolarHBondContact O-ND2 3.46Å
366T62.9Low62.4Low88 Ų88122.3 Ų122.354%0.5461%0.606SS.*Hα-helixtrans-78.2-30.9172.350.50000113.1R362 L363 E364 N369R362-T366 PolarHBondContact O-N 2.91Å; R362-T366 PolarHBondContact O-OG1 2.88Å; L363-T366 WeakPolarHBondContact CA-OG1 3.18Å; L363-T366 PolarHBondContact O-N 3.3Å; L363-T366 PolarHBondContact O-OG1 3.43Å; E364-T366 VanDerWaalsContact C-N 3.32Å; E364-T366 PolarHBondContact O-N 2.98Å; T366-N369 PolarHBondContact O-N 3.45Å
367E56.6Low60.1Low104 Ų104127.6 Ų127.649%0.48663%0.627SS.*Hα-helixtrans-68.7-38.2174.1-168.4164.7-170.100111.2L363 E364 N369L363-E367 PolarHBondContact O-N 3.36Å; E364-E367 PolarHBondContact O-N 2.88Å; E367-N369 PolarHBondContact O-N 2.94Å
368S56.4Low57.8Low106 Ų106133.7 Ų133.774%0.74165%0.646SS**THydrogen-bonded Turntrans-70.1-4.2175.5-169.10000115.4E364E364-S368 PolarHBondContact O-N 2.8Å
369N49.6Very low55.2Low130 Ų130139.3 Ų139.370%0.69567%0.672SS**THydrogen-bonded Turntrans-106.69.4-178.8-86.5-53.9000113.7H365 T366 E367 I371H365-N369 PolarHBondContact O-ND2 3.46Å; T366-N369 PolarHBondContact O-N 3.45Å; E367-N369 PolarHBondContact O-N 2.94Å; N369-I371 PolarHBondContact O-N 3.3Å
370I45.8Very low53Low140 Ų140141.9 Ų141.972%0.71869%0.687SS**  trans-90.189.2174.7-55.4177.8000108.7
371I39Very low50.6Low155 Ų155141.3 Ų141.380%0.79570%0.696SS**  trans-69130.9170.3-60.9176.2000108.2N369 E373N369-I371 PolarHBondContact O-N 3.3Å; I371-E373 PolarHBondContact O-N 3.02Å
372H35.8Very low48.5Very low165 Ų165139.6 Ų139.676%0.76471%0.713SS**  trans-83.9113.8178.4-157.6-54.3000109.3
373E39.3Very low46.3Very low180 Ų180140 Ų14084%0.84173%0.727SS**  trans-68.8148.6171.6-67.4177.8175.500110I371I371-E373 PolarHBondContact O-N 3.02Å
374V35.2Very low44.6Very low130 Ų130142.5 Ų142.579%0.78874%0.74SS**  trans-112.1139.8-174.4179.60000108.7
375E38.8Very low42.8Very low184 Ų184142 Ų14286%0.8676%0.755SS**  trans-127.2127.3175-167.3168.4-136.500107.9
376E32.1Very low41.3Very low169 Ų169144.5 Ų144.579%0.7977%0.773SS**  trans-136.7130.6-156.6177.1177.3-117.100109.7
377F38.5Very low40.1Very low191 Ų191147.6 Ų147.684%0.83879%0.786SS**  trans-150.2142.8173.8-81.1-71.1000111.7
378E39.5Very low39.1Very low179 Ų179150.1 Ų150.184%0.83680%0.803SS**  trans-66.1133.4-168.5-65.3153.5158.800113
379E32.5Very low38Very low174 Ų174151.2 Ų151.281%0.81380%0.801SS**  82.112571.5-166.2-179.4-115.100114.3
380N38.3Very low37.2Very low160 Ų160152.4 Ų152.486%0.85680%0.804SS**  trans-168.7130162-150.37.8000110.6
381D34.3Very low36.8Very low149 Ų149150.7 Ų150.780%0.79780%0.8SS**  trans-81.3160.6-165.7-52.3-80.6000116.6
382G39.9Very low36.5Very low75 Ų75152.5 Ų152.577%0.77380%0.802SS**  trans177.853.1174.500000121.2
383D37.5Very low36.1Very low161 Ų161154.2 Ų154.286%0.86181%0.807SS**  trans52.591142.7-152.930000120.7
384D41.2Very low35.9Very low167 Ų167151.6 Ų151.689%0.89381%0.808SS**  trans-177.2127.8139.9-104.5-26.5000109.8
385G37.6Very low35.7Very low66 Ų66154.4 Ų154.468%0.6881%0.81SS**  trans-95.5167.3179.100000114.1
386D35.5Very low35.2Very low161 Ų161152 Ų15286%0.86180%0.802SS**SBendcis-138.5169.39.7-63.4-53.3000111.5
387D38.3Very low34.9Very low154 Ų154149.3 Ų149.382%0.82480%0.802SS**SBendtrans69.768.9167.2-64.6-12.9000120
388D36Very low34.5Very low157 Ų157147.7 Ų147.784%0.8480%0.801SS**  trans48.480.9132.1-63.8-0.7000121.9
389D32.1Very low33.9Very low129 Ų129147.7 Ų147.769%0.6981%0.806SS**  35.5123.2112-144.512.2000122.2
390M33.8Very low33.6Very low155 Ų155143.5 Ų143.576%0.76479%0.789SS**  176.1154.2106-111.8-68.6134.500114.8
391V36.9Very low33.2Very low104 Ų104141.2 Ų141.263%0.6378%0.781SS**  trans-135.9123-174.3170.80000113.8
392K33.8Very low33.1Very low193 Ų193142.8 Ų142.884%0.83978%0.781SS**  trans82.2152.4167.3-65.1156-173.1163.60118.8
393K27.4Very low32.5Very low201 Ų201144.9 Ų144.987%0.87478%0.775SS**  trans66.7100.8170.3-65.3-179.3179.1175.80117.2
394S34.7Very low32Very low124 Ų124142.1 Ų142.187%0.86777%0.768SS**  -158.1139.1121.9-89.40000112.1
395K30.9Very low31.5Very low189 Ų189139.3 Ų139.382%0.82276%0.757SS**  trans-90.2153.4172.3-97.3-179174.6-179.10109.4
396L27.4Very low31Very low134 Ų134142.6 Ų142.670%0.70276%0.759SS**  trans63.567.2149.1-63166.2000118.5
397S26.1Very low31Very low112 Ų112141.9 Ų141.978%0.78375%0.754SS**  -148.6147.6127.763.90000107.2
398L30Very low30.5Very low158 Ų158140.1 Ų140.183%0.82775%0.745SS**  cis-136.8139.819.1-69.6149.8000110.8
399L28.1Very low30.2Very low178 Ų178140.2 Ų140.293%0.93274%0.739SS**  trans-164.266.1138.8-143.479.4000113.8
400N26Very low30Very low87 Ų87138.7 Ų138.747%0.46573%0.732SS.*  trans-154.8148.6158.6-142.1-13.6000110.4E364E364-N400 WeakPolarHBondContact CB-ND2 3.38Å; E364-N400 PolarHBondContact OE2-ND2 3.37Å
401T30.1Very low30Very low111 Ų111140.9 Ų140.968%0.68173%0.733SS**  trans104.6127.1-159.6-60.70000111.3
402F31.1Very low29.7Very low182 Ų182140.4 Ų140.480%0.79873%0.734SS**  cis-144.4161.6-20.7-86.3-27.9000107
403N27.7Very low29.5Very low119 Ų119136.1 Ų136.164%0.63672%0.724SS**  cis88.562.321.2-153.2104.5000117
404S27.6Very low29.8Very low104 Ų104134 Ų13473%0.72772%0.717SS**  trans62.9108.6151.8-55.20000121.9
405T30.3Very low29.4Very low108 Ų108134.6 Ų134.666%0.66371%0.706SS**  trans43.3102.3134.4590000122.1L593T405-L593 HydrophobicContact CG2-CD1 4.33Å
406N28.2Very low29.5Very low134 Ų134131.4 Ų131.472%0.71770%0.698SS**  62.1116.2114.5-160.121.8000121.6
407I33.8Very low29.8Very low146 Ų146132 Ų13275%0.74970%0.697SS**  178.1120.7116.7-89.6161.3000112.9
408N28.7Very low30.3Very low118 Ų118134.1 Ų134.163%0.63169%0.693SS**  trans35.4150147.5-52.40.9000126.6
409H29.6Very low30.7Very low158 Ų158132.5 Ų132.573%0.73169%0.685SS**  trans73.9144.7151.4-72-58.5000118.7
410D27.3Very low31.2Very low98 Ų98132 Ų13252%0.52468%0.675SS.*  cis-158.4172.21.9-131.7-10.9000114.5
411Y33.3Very low31.5Very low200 Ų200133 Ų13378%0.78468%0.68SS**  trans70.3147.2164.8-51.7-49.7000118.8
412S32.5Very low31.8Very low94 Ų94134.9 Ų134.966%0.65768%0.683SS**  cis-163.3134.1-12.2-108.30000114.6
413T28.7Very low31.8Very low104 Ų104131.3 Ų131.364%0.63868%0.681SS**  trans61.9144.9134.9-29.20000123.4
414H33.4Very low32Very low155 Ų155128.8 Ų128.872%0.71868%0.683SS**  trans79.7139169.3-57.5-68.7000116.4
415Q27.5Very low32.1Very low138 Ų138131.6 Ų131.665%0.64569%0.69SS**  cis151.4152.6-12.8-105.8-170.8-73.900105.4
416D33Very low32.6Very low122 Ų122131 Ų13165%0.65269%0.691SS**  cis-119.9-136.6-9.8-83.4-66.4000107.8
417E34Very low32.6Very low145 Ų145132 Ų13268%0.67870%0.696SS**  cis-159.1146-4.6-149.4175.3-165.500110.3
418F36.1Very low32.6Very low158 Ų158130.3 Ų130.369%0.69369%0.693SS**  trans61.8142.8171.2-49.2-58.5000119.3
419D38.5Very low32.6Very low123 Ų123129.3 Ų129.366%0.65870%0.695SS**  cis-160.2140.8-20.9-108.8-11.8000106.3
420K38.2Very low32.5Very low167 Ų167127.5 Ų127.573%0.72670%0.695SS**  61.9140.776.5-69.9-171161.5-1720115.2
421D32.7Very low32.7Very low108 Ų108129.4 Ų129.458%0.57871%0.705SS**  cis-164158.3-1.6-118.6-27.4000110.6
422M36.3Very low32.5Very low151 Ų151125.7 Ų125.774%0.74470%0.703SS**  trans57132.8159.7-53.1-61.2170.300118.9
423S31.1Very low32.4Very low107 Ų107128.8 Ų128.875%0.74871%0.708SS**  60.4129.250.383.90000115.2
424G31.5Very low32.7Very low67 Ų67130.9 Ų130.969%0.69171%0.713SS**  cis170.5176.1-1.200000110.6
425N29.3Very low33.2Very low162 Ų162129.5 Ų129.587%0.86671%0.711SS**  trans60.5119.4175-7528000116.6
426S40.2Very low34Very low97 Ų97129 Ų12968%0.67871%0.713SS**  cis102.8110.543.568.70000111.4
427D29.3Very low34.7Very low154 Ų154129.1 Ų129.182%0.82471%0.713SS**  trans-162.4157.8171.4-135.4-35.6000113.8
428T34.1Very low35.2Very low111 Ų111128.7 Ų128.768%0.68172%0.715SS**  trans43.3102.6154.5-560000118.1
429S28.7Very low35.2Very low96 Ų96128.4 Ų128.467%0.67172%0.716SS**  cis94.2128.843.1830000116.7
430V28Very low35.1Very low121 Ų121130.9 Ų130.973%0.73372%0.724SS**  trans81.6143.8140.1167.20000120.9
431N30.5Very low35.4Very low138 Ų138129.9 Ų129.974%0.73873%0.727SS**  trans75.3122.5174.1-68.6-17.1000117.7
432V28.3Very low35.6Very low122 Ų122132.2 Ų132.274%0.73974%0.739SS**  cis93.2143.939.6170.60000111.4
433M31.8Very low35.7Very low158 Ų158128.8 Ų128.878%0.77874%0.742SS**  trans81.5129.1-167.4-57.3-173.3176.100112.4
434M34.7Very low35.8Very low148 Ų148131 Ų13173%0.72975%0.746SS**  cis-163.3-173.1-6.2-137.7143.9-177.400111.3
435D42.7Very low36.2Very low126 Ų126134.4 Ų134.467%0.67475%0.748SS**  trans78.697.3155.8-52.4-16.4000119.2
436D45.6Very low36.7Very low129 Ų129133.3 Ų133.369%0.6974%0.742SS**  105.4102.8117-60.3-3.1000121
437D46.6Very low36.6Very low124 Ų124134.6 Ų134.666%0.66374%0.742SS**  98.690.3121.6-60.33.4000120.8
438D46Very low36.9Very low135 Ų135132.1 Ų132.172%0.72273%0.732SS**  88.2102.7110-66.52.1000121.8
439E36.1Very low36.8Very low153 Ų153135.2 Ų135.272%0.71574%0.739SS**  52.5145.6100.7-60.1-71.3-156.900121.4
440E36Very low37Very low174 Ų174137.1 Ų137.181%0.81374%0.741SS**  trans58.6150.9149.6-66.6170.7178.600117.9
441D44.9Very low37.3Very low147 Ų147136.9 Ų136.979%0.78674%0.74SS**  cis-146.8164.921.2-164.54.4000110.7
442D36.2Very low37.7Very low156 Ų156136.6 Ų136.683%0.83474%0.743SS**  trans-75.3142.8170.7-80.6-53.2000110.8
443G37.4Very low37.7Very low79 Ų79133.6 Ų133.681%0.81474%0.736SS**  trans-140.171.4-169.500000113.5
444D34.8Very low38Very low153 Ų153132 Ų13282%0.81874%0.738SS**  trans-70.6178.7169.6-93.2-43.6000112.8
445D39.2Very low38Very low140 Ų140131.1 Ų131.175%0.74975%0.746SS**  trans75.3126.2160.1-70.1-21.7000120.6
446D40.1Very low37.1Very low138 Ų138130.5 Ų130.574%0.73875%0.752SS**  trans63.7158.3134-78.5-11.2000122.2
447N37.7Very low36.3Very low125 Ų125132 Ų13267%0.66876%0.76SS**  cis-163.3-179.2-41.6-139.1-49.2000108.1
448V35.3Very low35.6Very low101 Ų101130.2 Ų130.261%0.61276%0.763SS**  trans-17.7139.7167.5-75.20000120.8
449E32Very low35Very low176 Ų176132.7 Ų132.782%0.82277%0.774SS**  trans67155136.3-66.8174.3-177.300118.7
450D32.2Very low34.7Very low137 Ų137133.6 Ų133.673%0.73378%0.778SS**  cis-149.1-1770.4-159.4-6.7000108.9
451V35.6Very low34.4Very low115 Ų115130.9 Ų130.970%0.69777%0.769SS**  trans64.4122.7151.6166.40000116.7
452V37.9Very low33.8Very low132 Ų132131.3 Ų131.380%0.876%0.764SS**  cis-165.61592.4111.30000108.5
453G28.9Very low33.4Very low59 Ų59133.3 Ų133.361%0.60876%0.761SS**  trans-68.5176.3172.200000113.8
454P38.9Very low32.9Very low124 Ų124131.8 Ų131.881%0.80574%0.736SS**  cis-148.9146.244.438.3-18.4000117.4
455S33.5Very low32.7Very low130 Ų130126 Ų12691%0.90971%0.712SS**  trans-176.564.3141.629.20000110.8
456S24.3Very low32.1Very low113 Ų113126.9 Ų126.979%0.7972%0.715SS**  trans-103.9117.3170.5171.40000109.4
457D29.1Very low31.5Very low160 Ų160125.8 Ų125.886%0.85671%0.708SS**  trans-163.5145.6153.2-102.1-30.8000110.5
458A32.2Very low31Very low88 Ų88124 Ų12473%0.72770%0.695SS**  trans5273.5163.900000119.4
459I32.9Very low30.5Very low187 Ų187125.4 Ų125.496%0.95970%0.695SS**  -119.577.7127.9-56.1-176.2000107.5
460E29.6Very low30.2Very low171 Ų171121.3 Ų121.380%0.79967%0.672SS**  trans-105.3139.3-179-152.4-170.5-17700111.1
461D29.4Very low29.9Very low117 Ų117122.3 Ų122.363%0.62667%0.672SS**  trans77.6153.1150.1-139.92.9000121.9
462K33.5Very low29.5Very low156 Ų156125.7 Ų125.768%0.67868%0.68SS**  trans39102.2166.9-61.8175.9-174.3770117
463Y26.5Very low29.1Very low198 Ų198124.4 Ų124.478%0.77668%0.677SS**  -155.8125.175-113.4-83.5000113.5
464V27Very low28.9Very low48 Ų48130.8 Ų130.829%0.29169%0.688SS.*  trans-85.2138.6155.6-176.70000107.4K1820 V1821 K1822V464-K1820 CarbonylContact C-O 3.56Å; V464-K1820 WeakPolarHBondContact CB-O 3.37Å; V464-K1820 WeakPolarHBondContact CG1-O 3.25Å; V464-V1821 HydrophobicContact CB-CG1 4.4Å; V464-V1821 HydrophobicContact CB-CG2 4.46Å; V464-V1821 HydrophobicContact CG2-CG1 4.37Å; V464-K1822 HydrophobicContact CG1-CD 4.34Å; V464-K1822 HydrophobicContact CG1-CG 3.84Å; V464-K1822 HydrophobicContact CG2-CB 4.44Å; V464-K1822 HydrophobicContact CG2-CD 4.08Å; V464-K1822 HydrophobicContact CG2-CG 4.17Å
465G29.8Very low28.2Very low30 Ų30129.4 Ų129.431%0.30968%0.682SS.*  trans-173.61-177.500000121.4I467 K1820G465-I467 VanDerWaalsContact C-N 3.27Å; G465-I467 PolarHBondContact O-N 2.94Å; G465-I467 VanDerWaalsContact O-O 3.13Å; G465-K1820 PolarHBondContact N-O 3.32Å
466I27.1Very low27.9Very low160 Ų160130.4 Ų130.482%0.82168%0.677SS**  trans-76.980.7-178.3-55.2-176.9000111.7K1820I466-K1820 PolarHBondContact O-NZ 3.49Å
467I27.7Very low28.2Very low114 Ų114130.8 Ų130.859%0.58568%0.679SS**  trans-171.9153.6137.6-97.2171.5000104.8G465 K1820G465-I467 VanDerWaalsContact C-N 3.27Å; G465-I467 PolarHBondContact O-N 2.94Å; G465-I467 VanDerWaalsContact O-O 3.13Å; I467-K1820 HydrophobicContact CB-CD 4.16Å
468K28.5Very low27.9Very low89 Ų89132.2 Ų132.239%0.38768%0.681SS.*  trans88.698.1-166.8-55.4-153.4-93.7162.40111.1N1817 T1818 S1819K468-N1817 HydrophobicContact CB-CB 3.99Å; K468-N1817 HydrophobicContact CD-CB 3.99Å; K468-N1817 WeakPolarHBondContact CD-OD1 3.36Å; K468-N1817 HydrophobicContact CG-CB 4.33Å; K468-N1817 WeakPolarHBondContact CG-OD1 3.46Å; K468-N1817 PolarHBondContact NZ-O 3.18Å; K468-T1818 WeakPolarHBondContact CE-O 2.87Å; K468-T1818 VanDerWaalsContact NZ-C 3.28Å; K468-T1818 PolarHBondContact NZ-O 3.34Å; K468-S1819 WeakPolarHBondContact CE-O 3.16Å; K468-S1819 PolarHBondContact NZ-O 3.48Å
469Q24.8Very low27.6Very low130 Ų130135.8 Ų135.861%0.60768%0.684SS**  59.9130.161.8-126.9-173.63100108.7N1817Q469-N1817 HydrophobicContact CB-CB 4.25Å; Q469-N1817 WeakPolarHBondContact O-CB 3.35Å; Q469-N1817 PolarHBondContact OE1-ND2 3.06Å
470Y24.8Very low27.4Very low89 Ų89137.1 Ų137.135%0.34968%0.683SS.*  cis-154.315643.5-127.7-110.7000113.2K1815 S1816 N1817Y470-K1815 HydrophobicContact CE1-CB 4.31Å; Y470-K1815 HydrophobicContact CE1-CD 3.69Å; Y470-S1816 VanDerWaalsContact CB-OG 3.3Å; Y470-S1816 WeakPolarHBondContact CB-OG 3.46Å; Y470-S1816 WeakPolarHBondContact CD1-OG 3.5Å; Y470-S1816 VanDerWaalsContact CG-OG 3.29Å; Y470-N1817 HydrophobicContact CD2-CB 4.5Å; Y470-N1817 WeakPolarHBondContact CD2-ND2 3.3Å
471H25.5Very low27.3Very low158 Ų158136.9 Ų136.973%0.73169%0.687SS**  trans19.2124154.8-74.8-117.3000122.3
472Q28.4Very low27Very low187 Ų187139 Ų13987%0.87470%0.698SS**  -146.9164.5120-116.7-176.917.600112
473S28.7Very low26.7Very low105 Ų105140.2 Ų140.273%0.73471%0.706SS**  trans-5.7121.8172.9-51.10000118.7
474K24.2Very low26.9Very low192 Ų192136.9 Ų136.984%0.83571%0.706SS**  80.9127.356-173.1-178.7-179.1-1780113.1
475S24.4Very low27.2Very low96 Ų96141 Ų14167%0.67173%0.732SS**  trans69.4140.7-178.1-80.30000115.1
476N26.5Very low26.9Very low151 Ų151146.2 Ų146.281%0.80775%0.753SS**  cis-144.8131.3-3.3-85.5-29.8000110.7
477S30.5Very low27.1Very low121 Ų121146.7 Ų146.785%0.84676%0.756SS**  trans-168.2101.2133-1670000109.8
478H23.5Very low27.1Very low190 Ų190147.1 Ų147.188%0.8876%0.756SS**  trans-134.569.2175.9-176.7-65.7000107.5
479M26.8Very low27Very low163 Ų163152.1 Ų152.180%0.80377%0.773SS**  trans-152.279-174.9-143.1-168.286.600113.8
480F28.8Very low27.1Very low214 Ų214152.8 Ų152.894%0.93978%0.781SS**SBendtrans-147.838153.4-135.3-80.5000112.7
481L26.1Very low27.3Very low166 Ų166153.5 Ų153.587%0.86980%0.797SS**SBendtrans-158.673.6176.6-114.4155.2000109.8
482N24.4Very low27.5Very low162 Ų162154.4 Ų154.487%0.86681%0.806SS**  trans-170.5108.2161.6-119.4-15000112.1
483Q27.6Very low27.6Very low181 Ų181151.6 Ų151.685%0.84680%0.797SS**  trans-159.4142.7147-114.2170.89.900109.5
484T29.8Very low27.6Very low128 Ų128154.7 Ų154.779%0.78580%0.8SS**SBendtrans58.7126.7174.460.20000118.8
485T32.3Very low28.1Very low134 Ų134152.4 Ų152.482%0.82280%0.797SS**  cis-158.9164.9-21.6-7.80000110.9
486N25.4Very low28.6Very low140 Ų140155 Ų15575%0.74980%0.798SS**  trans-70160.7-176.2-65.8-63.3000116
487L31.4Very low29Very low171 Ų171154.9 Ų154.990%0.89579%0.792SS**  -165.582.4124.9-104.6173.5000114.8
488Q27.3Very low29.4Very low123 Ų123155.9 Ų155.958%0.57579%0.787SS**  trans47.7134.9134.3-144.972.8-3.300125.1
489Y24.9Very low30.3Very low193 Ų193155.9 Ų155.976%0.75778%0.781SS**  trans69.8142.3166.8-61.7-57.2000117.8
490D27.4Very low31Very low144 Ų144153.4 Ų153.477%0.7777%0.771SS**  cis-138.8155.411.4-125.5-12.9000113
491P30.3Very low31.8Very low105 Ų105149.1 Ų149.168%0.68275%0.754SS**  trans-119.586.8-161.540.9-30000117.3
492L28.9Very low32.9Very low176 Ų176145.1 Ų145.192%0.92173%0.733SS**  trans-146.670173.9-77.6-179.1000116.3
493N30.7Very low34.6Very low129 Ų129141 Ų14169%0.6971%0.71SS**  trans-160.943.7155.2-145.6-11.1000118N495N493-N495 PolarHBondContact O-N 2.99Å
494H27.5Very low35.8Very low170 Ų170136 Ų13679%0.78770%0.695SS**THydrogen-bonded Turntrans-77.438-172.6-99.249.6000116.7
495N34.7Very low37.6Very low144 Ų144133.2 Ų133.277%0.7768%0.675SS**THydrogen-bonded Turntrans-13214.2-174.3-82.4-49.4000116.4N493N493-N495 PolarHBondContact O-N 2.99Å
496H36.2Very low39.2Very low149 Ų149132 Ų13269%0.6966%0.658SS**SBendtrans-128.4-18.2178.2-101.230.4000116.8
497E34.9Very low40.8Very low149 Ų149132.1 Ų132.170%0.69665%0.649SS**Hα-helixtrans-82.3-34.1-175-64.7-178.7117.900113.6Y499 N500 H501E497-Y499 VanDerWaalsContact C-N 3.25Å; E497-Y499 PolarHBondContact O-N 3.38Å; E497-N500 PolarHBondContact O-N 2.94Å; E497-H501 PolarHBondContact O-N 3.25Å; E497-H501 VanDerWaalsContact O-N 3.07Å
498L39Very low42.5Very low142 Ų142130 Ų13074%0.74363%0.634SS**Hα-helixtrans-55.8-36.7179.5-81.3164.8000113.4D502L498-D502 WeakPolarHBondContact O-CB 3.41Å; L498-D502 PolarHBondContact O-N 2.79Å
499Y41.9Very low44.8Very low191 Ų191127.6 Ų127.675%0.74963%0.628SS**Hα-helixtrans-73-28.6-179.3-150-89.9000112.7E497 L503E497-Y499 VanDerWaalsContact C-N 3.25Å; E497-Y499 PolarHBondContact O-N 3.38Å; Y499-L503 WeakPolarHBondContact O-CB 3.32Å; Y499-L503 PolarHBondContact O-N 2.97Å
500N41.4Very low47.1Very low110 Ų110122.6 Ų122.659%0.58861%0.614SS**Hα-helixtrans-80.9-36.5176.9-74.6-40000111.9E497 L503 C504E497-N500 PolarHBondContact O-N 2.94Å; N500-L503 PolarHBondContact O-N 3.06Å; N500-C504 WeakPolarHBondContact O-CB 3.15Å; N500-C504 PolarHBondContact O-N 3.12Å
501H45.2Very low49.3Very low125 Ų125120.2 Ų120.258%0.57960%0.6SS**Hα-helixtrans-64.2-47.5176.6-169.563.6000111.7E497 L503 C504 I505E497-H501 PolarHBondContact O-N 3.25Å; E497-H501 VanDerWaalsContact O-N 3.07Å; H501-L503 VanDerWaalsContact C-N 3.26Å; H501-L503 PolarHBondContact O-N 2.88Å; H501-C504 WeakPolarHBondContact O-CB 3.47Å; H501-C504 PolarHBondContact O-N 2.93Å; H501-I505 WeakPolarHBondContact O-CG1 3.38Å; H501-I505 PolarHBondContact O-N 2.69Å
502D50.1Low51.5Low82 Ų82118.4 Ų118.444%0.43959%0.59SS.*Hα-helixtrans-65.8-28178.1-168.561.9000112.8L498 K506L498-D502 WeakPolarHBondContact O-CB 3.41Å; L498-D502 PolarHBondContact O-N 2.79Å; D502-K506 WeakPolarHBondContact O-CD 3.13Å; D502-K506 WeakPolarHBondContact O-CG 3.28Å; D502-K506 PolarHBondContact O-N 2.92Å; D502-K506 IonicContact OD1-NZ 3.17Å; D502-K506 IonicContact OD2-NZ 2.71Å; D502-K506 PolarHBondContact OD2-NZ 2.79Å
503L59.1Low53.5Low74 Ų74114.9 Ų114.939%0.38757%0.572SS.*Hα-helixtrans-74.1-37.2170.9-157.976.5000112.1Y499 N500 H501 K506 Y507Y499-L503 WeakPolarHBondContact O-CB 3.32Å; Y499-L503 PolarHBondContact O-N 2.97Å; N500-L503 PolarHBondContact O-N 3.06Å; H501-L503 VanDerWaalsContact C-N 3.26Å; H501-L503 PolarHBondContact O-N 2.88Å; L503-K506 PolarHBondContact O-N 3.45Å; L503-Y507 HydrophobicContact CD1-CE2 4.49Å; L503-Y507 HydrophobicContact CD2-CE2 3.94Å; L503-Y507 HydrophobicContact CG-CD2 4.21Å; L503-Y507 HydrophobicContact CG-CE2 3.76Å; L503-Y507 WeakPolarHBondContact O-CD2 3.37Å; L503-Y507 PolarHBondContact O-N 3.11Å; L503-Y507 VanDerWaalsContact O-N 3.08Å
504C53.7Low55.1Low78 Ų78113.8 Ų113.853%0.52756%0.564SS.*Hα-helixtrans-64.3-49.1176.5-158.50000111.1N500 H501 K506 Y507 E508N500-C504 WeakPolarHBondContact O-CB 3.15Å; N500-C504 PolarHBondContact O-N 3.12Å; H501-C504 WeakPolarHBondContact O-CB 3.47Å; H501-C504 PolarHBondContact O-N 2.93Å; C504-K506 PolarHBondContact O-N 2.75Å; C504-Y507 PolarHBondContact O-N 2.79Å; C504-E508 WeakPolarHBondContact O-CB 3.47Å; C504-E508 PolarHBondContact O-N 2.96Å
505I66.4Low56.9Low69 Ų69111.4 Ų111.435%0.35455%0.553SS.*Hα-helixtrans-56.5-39.1175.8-67.4167.1000111.2H501 E508 T509H501-I505 WeakPolarHBondContact O-CG1 3.38Å; H501-I505 PolarHBondContact O-N 2.69Å; I505-E508 PolarHBondContact O-N 3.43Å; I505-T509 WeakPolarHBondContact O-CB 3.24Å; I505-T509 PolarHBondContact O-N 3.23Å; I505-T509 PolarHBondContact O-OG1 3.41Å
506K66.7Low58.8Low108 Ų108107.3 Ų107.347%0.4754%0.539SS..Hα-helixtrans-65.1-43.2175.2-79.4165.7179.8143.30112.5D502 L503 C504 I510D502-K506 WeakPolarHBondContact O-CD 3.13Å; D502-K506 WeakPolarHBondContact O-CG 3.28Å; D502-K506 PolarHBondContact O-N 2.92Å; D502-K506 IonicContact OD1-NZ 3.17Å; D502-K506 IonicContact OD2-NZ 2.71Å; D502-K506 PolarHBondContact OD2-NZ 2.79Å; L503-K506 PolarHBondContact O-N 3.45Å; C504-K506 PolarHBondContact O-N 2.75Å; K506-I510 WeakPolarHBondContact O-CB 3.47Å; K506-I510 WeakPolarHBondContact O-CD1 3.39Å; K506-I510 WeakPolarHBondContact O-CG1 3.47Å; K506-I510 PolarHBondContact O-N 2.84Å
507Y58.5Low60.4Low143 Ų143106.4 Ų106.456%0.56154%0.536SS*.Hα-helixtrans-67.3-39.3175.1-75.2-58.5000112.6L503 C504 I510 I511L503-Y507 HydrophobicContact CD1-CE2 4.49Å; L503-Y507 HydrophobicContact CD2-CE2 3.94Å; L503-Y507 HydrophobicContact CG-CD2 4.21Å; L503-Y507 HydrophobicContact CG-CE2 3.76Å; L503-Y507 WeakPolarHBondContact O-CD2 3.37Å; L503-Y507 PolarHBondContact O-N 3.11Å; L503-Y507 VanDerWaalsContact O-N 3.08Å; C504-Y507 PolarHBondContact O-N 2.79Å; Y507-I510 PolarHBondContact O-N 3.15Å; Y507-I511 WeakPolarHBondContact O-CB 3.45Å; Y507-I511 VanDerWaalsContact O-CG1 3.25Å; Y507-I511 WeakPolarHBondContact O-CG1 3.46Å; Y507-I511 PolarHBondContact O-N 2.9Å
508E68Low62.1Low125 Ų125102.4 Ų102.458%0.58452%0.519SS*.Hα-helixtrans-63.5-46.1175.8-171.6167.7-13000111.4C504 I505 I510 I511 S512C504-E508 WeakPolarHBondContact O-CB 3.47Å; C504-E508 PolarHBondContact O-N 2.96Å; I505-E508 PolarHBondContact O-N 3.43Å; E508-I510 VanDerWaalsContact C-N 3.32Å; E508-I510 PolarHBondContact O-N 3.47Å; E508-I511 PolarHBondContact O-N 3.02Å; E508-S512 PolarHBondContact O-N 2.93Å; E508-S512 PolarHBondContact O-OG 2.83Å
509T74.7Confident64Low74 Ų7498.8 Ų98.845%0.45450%0.502SS..Hα-helixtrans-59.9-40.9174.1-54.80000112I505 N513I505-T509 WeakPolarHBondContact O-CB 3.24Å; I505-T509 PolarHBondContact O-N 3.23Å; I505-T509 PolarHBondContact O-OG1 3.41Å; T509-N513 WeakPolarHBondContact O-CB 3.41Å; T509-N513 PolarHBondContact O-N 3.19Å
510I74.3Confident65.8Low88 Ų8896 Ų9645%0.45149%0.492SS..Hα-helixtrans-67.3-39.7176.7-73.1166000111.1K506 Y507 E508 N513 M514K506-I510 WeakPolarHBondContact O-CB 3.47Å; K506-I510 WeakPolarHBondContact O-CD1 3.39Å; K506-I510 WeakPolarHBondContact O-CG1 3.47Å; K506-I510 PolarHBondContact O-N 2.84Å; Y507-I510 PolarHBondContact O-N 3.15Å; E508-I510 VanDerWaalsContact C-N 3.32Å; E508-I510 PolarHBondContact O-N 3.47Å; I510-N513 PolarHBondContact O-N 2.91Å; I510-M514 HydrophobicContact CG2-CE 3.9Å; I510-M514 HydrophobicContact CG2-SD 4.37Å; I510-M514 WeakPolarHBondContact O-CG 3.39Å; I510-M514 PolarHBondContact O-N 3.2Å
511I72.3Confident67.3Low94 Ų9494.9 Ų94.948%0.48249%0.488SS..Hα-helixtrans-64.1-47.9174.9-72.4164.3000110.4Y507 E508 N513 M514 Q515Y507-I511 WeakPolarHBondContact O-CB 3.45Å; Y507-I511 VanDerWaalsContact O-CG1 3.25Å; Y507-I511 WeakPolarHBondContact O-CG1 3.46Å; Y507-I511 PolarHBondContact O-N 2.9Å; E508-I511 PolarHBondContact O-N 3.02Å; I511-N513 VanDerWaalsContact C-N 3.34Å; I511-N513 PolarHBondContact O-N 3.35Å; I511-M514 HydrophobicContact CG1-CE 4.25Å; I511-M514 PolarHBondContact O-N 3.26Å; I511-Q515 WeakPolarHBondContact O-CB 3.4Å; I511-Q515 PolarHBondContact O-N 2.78Å
512S76.5Confident68.8Low66 Ų6691.8 Ų91.846%0.46248%0.475SS..Hα-helixtrans-59.4-41.3176.6-64.60000112.5E508 Q515 A516E508-S512 PolarHBondContact O-N 2.93Å; E508-S512 PolarHBondContact O-OG 2.83Å; S512-Q515 PolarHBondContact O-N 2.86Å; S512-A516 WeakPolarHBondContact O-CB 3.48Å; S512-A516 PolarHBondContact O-N 2.99Å
513N70.7Confident70Confident102 Ų10293 Ų9355%0.54548%0.478SS..Hα-helixtrans-66.2-41174.2-85.7-9.5000112.8T509 I510 I511 Q515 A516 Q517T509-N513 WeakPolarHBondContact O-CB 3.41Å; T509-N513 PolarHBondContact O-N 3.19Å; I510-N513 PolarHBondContact O-N 2.91Å; I511-N513 VanDerWaalsContact C-N 3.34Å; I511-N513 PolarHBondContact O-N 3.35Å; N513-Q515 VanDerWaalsContact C-N 3.3Å; N513-Q515 PolarHBondContact O-N 2.98Å; N513-A516 PolarHBondContact O-N 3.13Å; N513-Q517 WeakPolarHBondContact O-CB 3.43Å; N513-Q517 WeakPolarHBondContact O-CG 3.35Å; N513-Q517 PolarHBondContact O-N 3.13Å
514M65.7Low70.7Confident106 Ų10693.4 Ų93.452%0.52248%0.478SS..Hα-helixtrans-67.9-31.4174.6-71.1-175.6-54.900112.1I510 I511 L518I510-M514 HydrophobicContact CG2-CE 3.9Å; I510-M514 HydrophobicContact CG2-SD 4.37Å; I510-M514 WeakPolarHBondContact O-CG 3.39Å; I510-M514 PolarHBondContact O-N 3.2Å; I511-M514 HydrophobicContact CG1-CE 4.25Å; I511-M514 PolarHBondContact O-N 3.26Å; M514-L518 VanDerWaalsContact O-CB 3.29Å; M514-L518 WeakPolarHBondContact O-CB 3.32Å; M514-L518 PolarHBondContact O-N 3.18Å
515Q65.8Low71.5Confident121 Ų12195.5 Ų95.557%0.56548%0.475SS*.Hα-helixtrans-71.7-41.2175.7-169.1166.3-10.300111.1I511 S512 N513 L518 T519I511-Q515 WeakPolarHBondContact O-CB 3.4Å; I511-Q515 PolarHBondContact O-N 2.78Å; S512-Q515 PolarHBondContact O-N 2.86Å; N513-Q515 VanDerWaalsContact C-N 3.3Å; N513-Q515 PolarHBondContact O-N 2.98Å; Q515-L518 PolarHBondContact O-N 2.98Å; Q515-T519 PolarHBondContact O-N 3.3Å; Q515-T519 PolarHBondContact O-OG1 3.44Å; Q515-T519 VanDerWaalsContact O-OG1 3.11Å
516A73Confident71.9Confident58 Ų5894.8 Ų94.848%0.47947%0.472SS..Hα-helixtrans-64.5-41.617200000112.6S512 N513 L518 T519 Y520S512-A516 WeakPolarHBondContact O-CB 3.48Å; S512-A516 PolarHBondContact O-N 2.99Å; N513-A516 PolarHBondContact O-N 3.13Å; A516-L518 VanDerWaalsContact C-N 3.34Å; A516-T519 PolarHBondContact O-N 3.41Å; A516-Y520 PolarHBondContact O-N 2.96Å
517Q70.2Confident72.3Confident130 Ų13094.7 Ų94.761%0.60747%0.474SS*.Hα-helixtrans-64.1-38.1173.1-75.6177.7-5.400112.2N513 Y520 V521N513-Q517 WeakPolarHBondContact O-CB 3.43Å; N513-Q517 WeakPolarHBondContact O-CG 3.35Å; N513-Q517 PolarHBondContact O-N 3.13Å; Q517-Y520 PolarHBondContact O-N 3.48Å; Q517-V521 WeakPolarHBondContact O-CG2 3.42Å; Q517-V521 PolarHBondContact O-N 3.32Å
518L70.3Confident73Confident65 Ų6592.9 Ų92.934%0.3447%0.474SS..Hα-helixtrans-65.5-40.2173.9-179.865.6000111.5M514 Q515 A516 V521 I522M514-L518 VanDerWaalsContact O-CB 3.29Å; M514-L518 WeakPolarHBondContact O-CB 3.32Å; M514-L518 PolarHBondContact O-N 3.18Å; Q515-L518 PolarHBondContact O-N 2.98Å; A516-L518 VanDerWaalsContact C-N 3.34Å; L518-V521 PolarHBondContact O-N 3.38Å; L518-I522 HydrophobicContact CD1-CD1 4.17Å; L518-I522 HydrophobicContact CD1-CG1 4.46Å; L518-I522 HydrophobicContact CG-CD1 3.96Å; L518-I522 WeakPolarHBondContact O-CB 3.23Å; L518-I522 WeakPolarHBondContact O-CD1 3.26Å; L518-I522 VanDerWaalsContact O-CG1 3.22Å; L518-I522 WeakPolarHBondContact O-CG1 3.39Å; L518-I522 PolarHBondContact O-N 3.21Å
519T78.8Confident73Confident66 Ų6688.9 Ų88.941%0.40546%0.463SS..Hα-helixtrans-60.2-49.6172.3-59.20000110.8Q515 A516 V521 I522 E523Q515-T519 PolarHBondContact O-N 3.3Å; Q515-T519 PolarHBondContact O-OG1 3.44Å; Q515-T519 VanDerWaalsContact O-OG1 3.11Å; A516-T519 PolarHBondContact O-N 3.41Å; T519-V521 VanDerWaalsContact C-N 3.34Å; T519-V521 PolarHBondContact O-N 2.96Å; T519-I522 CarbonylContact O-C 3.36Å; T519-I522 WeakPolarHBondContact O-CA 3.47Å; T519-I522 WeakPolarHBondContact O-CB 3.42Å; T519-I522 PolarHBondContact O-N 3.48Å; T519-I522 VanDerWaalsContact O-N 3.07Å; T519-E523 HydrophobicContact CG2-CG 4.36Å; T519-E523 WeakPolarHBondContact CG2-OE1 3.32Å; T519-E523 WeakPolarHBondContact O-CG 3.46Å; T519-E523 PolarHBondContact O-N 2.86Å
520Y80.2Confident72.7Confident133 Ų13390.1 Ų90.152%0.52247%0.466SS..Hα-helixtrans-59.5-40.3178.5-175.9-99.8000113.1A516 Q517 E523 E524A516-Y520 PolarHBondContact O-N 2.96Å; Q517-Y520 PolarHBondContact O-N 3.48Å; Y520-E523 PolarHBondContact O-N 3.25Å; Y520-E524 HydrophobicContact CD1-CG 4.44Å; Y520-E524 HydrophobicContact CE1-CG 3.96Å; Y520-E524 PolarHBondContact O-N 3.22Å
521V73.4Confident72.3Confident86 Ų8690.9 Ų90.952%0.52147%0.468SS..Hα-helixtrans-72.2-28.9176.3171.40000112.2Q517 L518 T519 R525Q517-V521 WeakPolarHBondContact O-CG2 3.42Å; Q517-V521 PolarHBondContact O-N 3.32Å; L518-V521 PolarHBondContact O-N 3.38Å; T519-V521 VanDerWaalsContact C-N 3.34Å; T519-V521 PolarHBondContact O-N 2.96Å; V521-R525 VanDerWaalsContact O-CB 3.23Å; V521-R525 WeakPolarHBondContact O-CB 3.47Å; V521-R525 PolarHBondContact O-N 3Å
522I75.9Confident71.5Confident59 Ų5990.6 Ų90.630%0.30347%0.467SS..Hα-helixtrans-70.8-40.4170.1-70.7167000110.1L518 T519 R525 D526L518-I522 HydrophobicContact CD1-CD1 4.17Å; L518-I522 HydrophobicContact CD1-CG1 4.46Å; L518-I522 HydrophobicContact CG-CD1 3.96Å; L518-I522 WeakPolarHBondContact O-CB 3.23Å; L518-I522 WeakPolarHBondContact O-CD1 3.26Å; L518-I522 VanDerWaalsContact O-CG1 3.22Å; L518-I522 WeakPolarHBondContact O-CG1 3.39Å; L518-I522 PolarHBondContact O-N 3.21Å; T519-I522 CarbonylContact O-C 3.36Å; T519-I522 WeakPolarHBondContact O-CA 3.47Å; T519-I522 WeakPolarHBondContact O-CB 3.42Å; T519-I522 PolarHBondContact O-N 3.48Å; T519-I522 VanDerWaalsContact O-N 3.07Å; I522-R525 PolarHBondContact O-N 3.27Å; I522-D526 VanDerWaalsContact O-CB 3.28Å; I522-D526 WeakPolarHBondContact O-CB 3.44Å; I522-D526 VanDerWaalsContact O-CG 3.23Å; I522-D526 PolarHBondContact O-N 3.42Å
523E76Confident70.4Confident108 Ų10892.4 Ų92.451%0.50547%0.471SS..Hα-helixtrans-65.2-45.4175.4-72.8169.4176.500111.6T519 Y520 D526 M527T519-E523 HydrophobicContact CG2-CG 4.36Å; T519-E523 WeakPolarHBondContact CG2-OE1 3.32Å; T519-E523 WeakPolarHBondContact O-CG 3.46Å; T519-E523 PolarHBondContact O-N 2.86Å; Y520-E523 PolarHBondContact O-N 3.25Å; E523-D526 PolarHBondContact O-N 2.92Å; E523-M527 WeakPolarHBondContact O-CB 3.41Å; E523-M527 VanDerWaalsContact O-CG 3.28Å; E523-M527 WeakPolarHBondContact O-CG 3.49Å; E523-M527 PolarHBondContact O-N 2.94Å
524E73.6Confident69.5Low83 Ų8393.7 Ų93.739%0.38847%0.474SS..Hα-helixtrans-59.8-45.5170.9-84.4-161.7126.600111.9Y520 D526 M527 L528Y520-E524 HydrophobicContact CD1-CG 4.44Å; Y520-E524 HydrophobicContact CE1-CG 3.96Å; Y520-E524 PolarHBondContact O-N 3.22Å; E524-D526 VanDerWaalsContact C-N 3.33Å; E524-D526 PolarHBondContact O-N 3.35Å; E524-M527 HydrophobicContact CG-CE 4.18Å; E524-M527 PolarHBondContact O-N 3.44Å; E524-L528 VanDerWaalsContact O-CB 3.31Å; E524-L528 WeakPolarHBondContact O-CB 3.46Å; E524-L528 VanDerWaalsContact O-CG 3.22Å; E524-L528 WeakPolarHBondContact O-CG 3.32Å; E524-L528 PolarHBondContact O-N 2.95Å
525R71.1Confident68.4Low122 Ų12293.7 Ų93.746%0.4648%0.476SS..Hα-helixtrans-62.7-41178.2-172.5-155.468.2177.5-2.4111.7V521 I522 L528 A529V521-R525 VanDerWaalsContact O-CB 3.23Å; V521-R525 WeakPolarHBondContact O-CB 3.47Å; V521-R525 PolarHBondContact O-N 3Å; I522-R525 PolarHBondContact O-N 3.27Å; R525-L528 PolarHBondContact O-N 2.99Å; R525-A529 VanDerWaalsContact O-CB 3.3Å; R525-A529 WeakPolarHBondContact O-CB 3.46Å; R525-A529 PolarHBondContact O-N 3.43Å
526D75.3Confident67.3Low54 Ų5492.5 Ų92.529%0.28948%0.477SS..Hα-helixtrans-77.9-30.6-177.5-680.9000110.7I522 E523 E524 N530I522-D526 VanDerWaalsContact O-CB 3.28Å; I522-D526 WeakPolarHBondContact O-CB 3.44Å; I522-D526 VanDerWaalsContact O-CG 3.23Å; I522-D526 PolarHBondContact O-N 3.42Å; E523-D526 PolarHBondContact O-N 2.92Å; E524-D526 VanDerWaalsContact C-N 3.33Å; E524-D526 PolarHBondContact O-N 3.35Å; D526-N530 WeakPolarHBondContact O-CB 3.41Å; D526-N530 PolarHBondContact O-N 3.44Å; D526-N530 PolarHBondContact O-ND2 3.34Å
527M74.6Confident65.8Low105 Ų10591.8 Ų91.852%0.51748%0.475SS..Hα-helixtrans-62.8-45.7164.1-75.9-169-60.100112E523 E524 N530 Q531E523-M527 WeakPolarHBondContact O-CB 3.41Å; E523-M527 VanDerWaalsContact O-CG 3.28Å; E523-M527 WeakPolarHBondContact O-CG 3.49Å; E523-M527 PolarHBondContact O-N 2.94Å; E524-M527 HydrophobicContact CG-CE 4.18Å; E524-M527 PolarHBondContact O-N 3.44Å; M527-N530 PolarHBondContact O-N 2.89Å; M527-Q531 WeakPolarHBondContact O-CB 3.42Å; M527-Q531 WeakPolarHBondContact O-CG 3.25Å; M527-Q531 PolarHBondContact O-N 2.86Å
528L73.4Confident64.1Low105 Ų10588.9 Ų88.955%0.5547%0.466SS..Hα-helixtrans-67.8-33.7177.9-73.8166.8000112.2E524 R525 L532E524-L528 VanDerWaalsContact O-CB 3.31Å; E524-L528 WeakPolarHBondContact O-CB 3.46Å; E524-L528 VanDerWaalsContact O-CG 3.22Å; E524-L528 WeakPolarHBondContact O-CG 3.32Å; E524-L528 PolarHBondContact O-N 2.95Å; R525-L528 PolarHBondContact O-N 2.99Å; L528-L532 VanDerWaalsContact O-CB 3.25Å; L528-L532 WeakPolarHBondContact O-CB 3.34Å; L528-L532 PolarHBondContact O-N 3.4Å
529A68.5Low62.3Low42 Ų4293.9 Ų93.935%0.34749%0.487SS..Hα-helixtrans-69.3-37.9172.400000111.7R525 L532 N533R525-A529 VanDerWaalsContact O-CB 3.3Å; R525-A529 WeakPolarHBondContact O-CB 3.46Å; R525-A529 PolarHBondContact O-N 3.43Å; A529-L532 PolarHBondContact O-N 3.35Å; A529-N533 WeakPolarHBondContact O-CB 3.42Å; A529-N533 PolarHBondContact O-N 2.98Å; A529-N533 PolarHBondContact O-ND2 3.36Å
530N66.6Low60.1Low99 Ų99100 Ų10053%0.52951%0.509SS..Hα-helixtrans-67.6-44.3172.8-70.5-18.5000111.4D526 M527 L532 N533 E534D526-N530 WeakPolarHBondContact O-CB 3.41Å; D526-N530 PolarHBondContact O-N 3.44Å; D526-N530 PolarHBondContact O-ND2 3.34Å; M527-N530 PolarHBondContact O-N 2.89Å; N530-L532 VanDerWaalsContact C-N 3.31Å; N530-L532 PolarHBondContact O-N 2.98Å; N530-N533 WeakPolarHBondContact O-CB 3.34Å; N530-N533 PolarHBondContact O-N 3.12Å; N530-E534 WeakPolarHBondContact O-CG 3.35Å; N530-E534 PolarHBondContact O-N 2.91Å
531Q67.1Low57.5Low105 Ų10598 Ų9849%0.49151%0.514SS..Hα-helixtrans-61.9-36.1173-76.1-179.9-15.600112.3M527 E534 L535M527-Q531 WeakPolarHBondContact O-CB 3.42Å; M527-Q531 WeakPolarHBondContact O-CG 3.25Å; M527-Q531 PolarHBondContact O-N 2.86Å; Q531-E534 PolarHBondContact O-N 3.44Å; Q531-L535 WeakPolarHBondContact O-CB 3.44Å; Q531-L535 WeakPolarHBondContact O-CD1 3.37Å; Q531-L535 WeakPolarHBondContact O-CG 3.37Å; Q531-L535 PolarHBondContact O-N 3.02Å
532L54.6Low55.3Low87 Ų87100.5 Ų100.546%0.45552%0.523SS..Hα-helixtrans-67.5-42174.5-17461.8000111.3L528 A529 N530 L535 T536L528-L532 VanDerWaalsContact O-CB 3.25Å; L528-L532 WeakPolarHBondContact O-CB 3.34Å; L528-L532 PolarHBondContact O-N 3.4Å; A529-L532 PolarHBondContact O-N 3.35Å; N530-L532 VanDerWaalsContact C-N 3.31Å; N530-L532 PolarHBondContact O-N 2.98Å; L532-L535 PolarHBondContact O-N 3.46Å; L532-T536 WeakPolarHBondContact O-CG2 3.28Å; L532-T536 PolarHBondContact O-N 3.14Å; L532-T536 PolarHBondContact O-OG1 2.82Å
533N54.6Low53.1Low104 Ų104105.8 Ų105.856%0.55655%0.551SS**Hα-helixtrans-62.5-44.3172.5-75.3-26.1000111.3A529 N530 L535 T536 G537A529-N533 WeakPolarHBondContact O-CB 3.42Å; A529-N533 PolarHBondContact O-N 2.98Å; A529-N533 PolarHBondContact O-ND2 3.36Å; N530-N533 WeakPolarHBondContact O-CB 3.34Å; N530-N533 PolarHBondContact O-N 3.12Å; N533-L535 PolarHBondContact O-N 3.01Å; N533-T536 WeakPolarHBondContact CA-OG1 3.29Å; N533-T536 CarbonylContact O-C 3.59Å; N533-T536 PolarHBondContact O-N 3.36Å; N533-T536 PolarHBondContact O-OG1 3.49Å; N533-G537 PolarHBondContact O-N 3.27Å
534E51.7Low50.9Low130 Ų130108.4 Ų108.461%0.60757%0.567SS**Hα-helixtrans-62-38.4173.7-74-177141.100112.1N530 Q531 G537 T538N530-E534 WeakPolarHBondContact O-CG 3.35Å; N530-E534 PolarHBondContact O-N 2.91Å; Q531-E534 PolarHBondContact O-N 3.44Å; E534-G537 PolarHBondContact O-N 2.93Å; E534-T538 WeakPolarHBondContact O-CB 3.43Å; E534-T538 VanDerWaalsContact O-CG2 3.3Å; E534-T538 WeakPolarHBondContact O-CG2 3.35Å; E534-T538 PolarHBondContact O-N 3.27Å; E534-T538 PolarHBondContact O-OG1 2.94Å
535L42Very low48.6Very low106 Ų106112.2 Ų112.256%0.55559%0.59SS**Hα-helixtrans-65.4-38.2173.5-83.9158.5000112.2Q531 L532 N533 G537 T538 H539Q531-L535 WeakPolarHBondContact O-CB 3.44Å; Q531-L535 WeakPolarHBondContact O-CD1 3.37Å; Q531-L535 WeakPolarHBondContact O-CG 3.37Å; Q531-L535 PolarHBondContact O-N 3.02Å; L532-L535 PolarHBondContact O-N 3.46Å; N533-L535 PolarHBondContact O-N 3.01Å; L535-G537 VanDerWaalsContact C-N 3.33Å; L535-T538 WeakPolarHBondContact CA-OG1 3.35Å; L535-T538 PolarHBondContact O-OG1 2.89Å; L535-H539 PolarHBondContact O-N 3.21Å
536T43.2Very low46.5Very low96 Ų96112 Ų11259%0.58961%0.607SS**Hα-helixtrans-72.2-23.7172.160.20000113.8L532 N533L532-T536 WeakPolarHBondContact O-CG2 3.28Å; L532-T536 PolarHBondContact O-N 3.14Å; L532-T536 PolarHBondContact O-OG1 2.82Å; N533-T536 WeakPolarHBondContact CA-OG1 3.29Å; N533-T536 CarbonylContact O-C 3.59Å; N533-T536 PolarHBondContact O-N 3.36Å; N533-T536 PolarHBondContact O-OG1 3.49Å
537G40Very low44.1Very low42 Ų42115.5 Ų115.543%0.43363%0.631SS.*Hα-helixtrans-83.3-39.7174.600000113.7N533 E534 L535 K540N533-G537 PolarHBondContact O-N 3.27Å; E534-G537 PolarHBondContact O-N 2.93Å; L535-G537 VanDerWaalsContact C-N 3.33Å; G537-K540 WeakPolarHBondContact O-CA 3.34Å; G537-K540 WeakPolarHBondContact O-CB 3.15Å; G537-K540 PolarHBondContact O-N 3.37Å
538T35.5Very low41.9Very low69 Ų69117.9 Ų117.942%0.42364%0.644SS.*Hα-helixtrans-73.3-29.3-17646.40000112.8E534 L535 K540 S541E534-T538 WeakPolarHBondContact O-CB 3.43Å; E534-T538 VanDerWaalsContact O-CG2 3.3Å; E534-T538 WeakPolarHBondContact O-CG2 3.35Å; E534-T538 PolarHBondContact O-N 3.27Å; E534-T538 PolarHBondContact O-OG1 2.94Å; L535-T538 WeakPolarHBondContact CA-OG1 3.35Å; L535-T538 PolarHBondContact O-OG1 2.89Å; T538-K540 PolarHBondContact O-N 3.45Å; T538-K540 VanDerWaalsContact O-N 3.1Å; T538-S541 CarbonylContact O-C 3.57Å; T538-S541 PolarHBondContact O-N 3.14Å
539H32Very low39.5Very low170 Ų170121.2 Ų121.279%0.78766%0.657SS**THydrogen-bonded Turntrans-67.6-2.8167.2-105.7-75000114.5L535L535-H539 PolarHBondContact O-N 3.21Å
540K32.4Very low37.4Very low196 Ų196125.4 Ų125.485%0.85268%0.679SS**THydrogen-bonded Turntrans-105.15.4166.7-106.6-176.8176.7-176.70113.9G537 T538G537-K540 WeakPolarHBondContact O-CA 3.34Å; G537-K540 WeakPolarHBondContact O-CB 3.15Å; G537-K540 PolarHBondContact O-N 3.37Å; T538-K540 PolarHBondContact O-N 3.45Å; T538-K540 VanDerWaalsContact O-N 3.1Å
541S26.8Very low35.5Very low91 Ų91125.4 Ų125.464%0.63669%0.686SS**  trans-147.564.1-174.3-161.90000113.4T538T538-S541 CarbonylContact O-C 3.57Å; T538-S541 PolarHBondContact O-N 3.14Å
542I27.5Very low33.6Very low138 Ų138127.3 Ų127.371%0.70871%0.705SS**  trans-133.467.6163.1-47-179.5000110.4
543L29.3Very low32.5Very low170 Ų170129.3 Ų129.389%0.8972%0.721SS**SBendtrans-141.8138.2144.7-133.4100.5000107.4
544L29Very low31.1Very low162 Ų162130.6 Ų130.685%0.84873%0.732SS**  trans-73.8152.9-164.5-91.178.3000114S546L544-S546 PolarHBondContact O-N 2.76Å
545N25Very low30Very low163 Ų163129.8 Ų129.887%0.87274%0.736SS**  trans-49.1126.3170.3-65.2-28.4000113.1
546S27.3Very low29.2Very low117 Ų117132.2 Ų132.282%0.81875%0.745SS**  trans-145.8103.4141.458.50000110.6L544L544-S546 PolarHBondContact O-N 2.76Å
547T24.4Very low28.6Very low128 Ų128133.8 Ų133.879%0.78575%0.749SS**  trans-43.7143.9168.1-36.30000113.1
548I28.3Very low28.1Very low155 Ų155137.7 Ų137.780%0.79577%0.765SS**  174.5136.4119.5-91.1164.6000111.3
549Q24.3Very low27.7Very low175 Ų175139.4 Ų139.482%0.81878%0.779SS**  trans-86.5151.6168.3-57155.3-57.900109.5
550T24.2Very low27.6Very low131 Ų131136.3 Ų136.380%0.80478%0.777SS**  trans177.7122.313025.80000108
551S25.7Very low27.4Very low99 Ų99131.7 Ų131.769%0.69277%0.769SS**  85.9112.857.6-62.90000113.3V553S551-V553 PolarHBondContact O-N 3.44Å
552T28.5Very low27.3Very low144 Ų144135.5 Ų135.588%0.88378%0.782SS**  trans-74.196.5156.948.60000108.1
553V30.1Very low27.2Very low130 Ų130132.8 Ų132.879%0.78878%0.78SS**  82.7105.781.1167.80000112.6S551S551-V553 PolarHBondContact O-N 3.44Å
554V25.9Very low27.1Very low130 Ų130130.9 Ų130.979%0.78878%0.775SS**  trans170.6118.7152147.60000103.1
555T28.2Very low27Very low114 Ų114128 Ų12870%0.69977%0.768SS**  cis-153.4152.39.99.20000112
556E26.7Very low27.1Very low157 Ų157125.8 Ų125.873%0.73476%0.761SS**  trans66.4120.1143.6-77.3-172.8-137.900124.7
557N29.2Very low27Very low128 Ų128126.4 Ų126.468%0.68476%0.76SS**  100.9105.2128.1-63.5-16.5000124
558V30Very low27.2Very low124 Ų124126.6 Ų126.675%0.75276%0.761SS**  trans81.688.5131.2-172.50000121.1
559S27.1Very low27.2Very low105 Ų105125.5 Ų125.573%0.73476%0.762SS**  71.4136.2120.1-54.40000125.9
560S29.6Very low27.8Very low106 Ų106122 Ų12274%0.74176%0.755SS**  trans86.197.7138.342.80000124.3
561S27.5Very low27.9Very low98 Ų98121.4 Ų121.469%0.68575%0.75SS**  71121.7121.365.70000124.9
562L25.4Very low27.9Very low172 Ų172122.1 Ų122.190%0.90175%0.751SS**  trans56.6146136.8-79.869.5000120.5
563A25.2Very low27.7Very low80 Ų80120 Ų12066%0.66174%0.742SS**  cis-173.4175.7-1300000111.7
564V28.2Very low27.5Very low130 Ų130119.3 Ų119.379%0.78874%0.738SS**  trans80113.9160-176.10000119.7
565S26.9Very low27.4Very low102 Ų102120.4 Ų120.471%0.71374%0.738SS**  trans36.1154.1133.9-45.20000122.9
566T25.8Very low27.2Very low117 Ų117118.9 Ų118.972%0.71873%0.732SS**  cis-167.1150.924.2-12.80000112.1
567T25.5Very low27.4Very low130 Ų130118.9 Ų118.980%0.79873%0.732SS**  trans59.7149.9156.1570000119.2
568T30.1Very low27.2Very low131 Ų131119.3 Ų119.380%0.80473%0.733SS**  cis-139.6-154.429.848.80000113.7
569T27.5Very low26.9Very low132 Ų132120 Ų12081%0.8174%0.737SS**  trans-142.9-172.2-158.358.70000113.4
570P36.7Very low26.9Very low103 Ų103118 Ų11867%0.66973%0.732SS**  -133.6-151.3-89.842.7-21.9000114.5
571T25.9Very low26.6Very low117 Ų117120.5 Ų120.572%0.71874%0.737SS**  trans89.5144.3169.573.90000117.5
572T25.5Very low26.6Very low114 Ų114124.6 Ų124.670%0.69974%0.742SS**  cis-167.4141.7-16.2230000111.1
573S24.4Very low26.5Very low100 Ų100120.8 Ų120.870%0.69973%0.73SS**  trans46147.3144.467.40000121.7
574T25.8Very low26.6Very low115 Ų115126.3 Ų126.371%0.70674%0.735SS**  cis-179.1164.828.9-7.70000110.8
575I25.3Very low26.4Very low154 Ų154123.1 Ų123.179%0.7972%0.719SS**  trans69.9151155.6-65.8158.3000114.6
576S23.9Very low26.4Very low82 Ų82124.8 Ų124.857%0.57372%0.718SS**  cis-124.2-149.36.6-139.30000110.8
577E30.1Very low26.4Very low156 Ų156123.5 Ų123.573%0.72971%0.714SS**  cis-142.4-148.54.8-156.160.3-79.400112.1
578I24Very low26.5Very low137 Ų137123.3 Ų123.370%0.70370%0.704SS**  trans-148.7159.8-157.9-35.9174.2000111.4
579V25.1Very low26.5Very low140 Ų140121.9 Ų121.985%0.84870%0.697SS**  trans77.9140.1164.7-166.10000116.4
580G26.1Very low26.3Very low61 Ų61122.4 Ų122.463%0.62969%0.693SS**  cis154.9154.4-12.900000115.8
581L23.5Very low25.7Very low160 Ų160125.6 Ų125.684%0.83870%0.701SS**  trans47.8120.4156.2-52.9175000119.8
582K27Very low25.8Very low183 Ų183123.7 Ų123.780%0.79671%0.705SS**  -171.5146.281.7-85.1163-174.11690109.2
583S24.2Very low25.8Very low93 Ų93124.8 Ų124.865%0.6571%0.706SS**  57.9126.672.5-43.70000112.9
584Y26.5Very low25.9Very low196 Ų196126.9 Ų126.977%0.76971%0.709SS**  cis-133.316036.3-75.9-104.6000111.9
585S24.7Very low26.1Very low63 Ų63133.1 Ų133.144%0.44172%0.72SS.*  cis87.8156.833.5-63.80000117.5
586I27.1Very low26.2Very low137 Ų137130.5 Ų130.570%0.70372%0.715SS**  trans86.2137.3-171.8-58.1168.7000112.8
587S25.6Very low26.3Very low90 Ų90132.1 Ų132.163%0.62972%0.722SS**  cis-127.9105.417.844.40000116.8Q1364S587-Q1364 PolarHBondContact O-NE2 3.39Å
588H26.8Very low26.1Very low126 Ų126133.8 Ų133.858%0.58373%0.729SS**  trans-81.7171.8135.5-107.5-20.2000106.8Q1364H588-Q1364 PolarHBondContact CE1-OE1 3.23Å; H588-Q1364 VanDerWaalsContact N-NE2 3.17Å; H588-Q1364 VanDerWaalsContact ND1-CD 3.31Å; H588-Q1364 PolarHBondContact ND1-OE1 2.75Å
589P30Very low26.1Very low101 Ų101134.7 Ų134.766%0.65673%0.732SS**  -163.3-167.952.644.1-18.9000118.3
590I24.6Very low26.1Very low142 Ų142140 Ų14073%0.72874%0.737SS**  trans45.1136.5130.8-74.8166.7000119.1
591M24.5Very low26.2Very low170 Ų170142 Ų14284%0.83774%0.742SS**  cis-158.7161.85.1-123.2-176-35.900109.3
592G27.9Very low26.2Very low78 Ų78140.4 Ų140.480%0.80473%0.734SS**  trans-168.394.4173.900000115.3
593L25.5Very low26.1Very low137 Ų137138 Ų13872%0.71774%0.74SS**  trans-76.2119.3168.3-75.1151.6000109.9T405T405-L593 HydrophobicContact CG2-CD1 4.33Å
594N25.5Very low26.1Very low144 Ų144139.1 Ų139.177%0.7774%0.739SS**  trans176.7115.5137.5-100.2-57000112
595R29.5Very low26.1Very low246 Ų246136.8 Ų136.893%0.92874%0.74SS**  trans-93.794.5146.4-92.3-165.6175-144.40.3106.9V597R595-V597 PolarHBondContact O-N 2.87Å
596S28.1Very low26.1Very low98 Ų98141.5 Ų141.569%0.68576%0.76SS**  trans-63.8103174.7-60.90000109.9Q598S596-Q598 PolarHBondContact O-N 3.48Å
597V26.7Very low26.1Very low117 Ų117142.4 Ų142.471%0.70977%0.766SS**  trans-69.3111.6171.81670000108.3R595 M599R595-V597 PolarHBondContact O-N 2.87Å; V597-M599 HydrophobicContact CG1-CB 3.82Å; V597-M599 HydrophobicContact CG1-CG 4.44Å; V597-M599 PolarHBondContact O-N 2.82Å
598Q24.6Very low26Very low191 Ų191145.3 Ų145.389%0.89378%0.775SS**  trans-76.355.6171.6-167.976.34.100110.6S596S596-Q598 PolarHBondContact O-N 3.48Å
599M24.3Very low26Very low155 Ų155145.5 Ų145.576%0.76478%0.784SS**  trans-119.9126.3162.7-85.5-68.6-176.100108.8V597 S601V597-M599 HydrophobicContact CG1-CB 3.82Å; V597-M599 HydrophobicContact CG1-CG 4.44Å; V597-M599 PolarHBondContact O-N 2.82Å; M599-S601 PolarHBondContact O-N 3.35Å
600R26.2Very low25.8Very low252 Ų252145.2 Ų145.295%0.95179%0.785SS**  trans-85100-164.8-174.4179.4-176.4176.41.1110.5
601S26.5Very low25.8Very low104 Ų104148.6 Ų148.673%0.72779%0.79SS**  trans-59.3139.6179.1-61.40000113.5M599M599-S601 PolarHBondContact O-N 3.35Å
602N25.2Very low26.1Very low126 Ų126146.2 Ų146.267%0.67479%0.787SS**  trans40.6103.6153.9-60.7-0.5000118.6N604N602-N604 HydrophobicContact CB-CB 4.44Å
603S23.3Very low26.3Very low133 Ų133148.2 Ų148.293%0.9379%0.786SS**  -87.8118.6119.7-170.50000106.6
604N25.1Very low26.3Very low116 Ų116149 Ų14962%0.6279%0.789SS**  trans-96.7173.2-176.4-138.36000110.6N602N602-N604 HydrophobicContact CB-CB 4.44Å
605N25.6Very low26.4Very low147 Ų147148.3 Ų148.379%0.78679%0.79SS**  trans74.9103.3173-53-11.7000115.8
606N26.1Very low26.4Very low162 Ų162142 Ų14287%0.86678%0.784SS**  trans-133.1102.2148.3-128.5-14.2000108.1
607N27.1Very low26.4Very low155 Ų155144.7 Ų144.783%0.82979%0.79SS**  trans-167.7130.9149.2-100.3-23.5000110.6
608N24Very low26.5Very low151 Ų151144.1 Ų144.181%0.80779%0.791SS**  trans72.2127.6162.7-76.5-9.5000121.3
609V25.9Very low26.5Very low130 Ų130141.5 Ų141.579%0.78879%0.788SS**  trans89.6115.4152.2-179.40000120.2
610S25.6Very low27.2Very low96 Ų96140 Ų14067%0.67179%0.79SS**  trans70.1110.1151.8-67.40000122.9
611Y24.6Very low27Very low213 Ų213133.5 Ų133.584%0.83578%0.783SS**  28.6130.9126.2-65.7-74.5000120
612P31.6Very low27Very low119 Ų119133.6 Ų133.677%0.77378%0.784SS**  -149.6-174.180.842.2-26.5000114.6
613P30.9Very low26.9Very low121 Ų121133.2 Ų133.279%0.78679%0.786SS**  cis-115.2-171.8-21.538.6-25.2000112.5
614I25.3Very low27Very low153 Ų153133.1 Ų133.179%0.78578%0.78SS**  trans-103.7131.8-175.9-61.7156.4000111.3
615T28.8Very low27Very low129 Ų129130.6 Ų130.679%0.79178%0.782SS**  trans-172.7115.9133.612.60000113.8
616S29.9Very low27.1Very low113 Ų113132.7 Ų132.779%0.7978%0.784SS**  trans58.9140.6158.756.50000121.6
617L27.7Very low26.9Very low155 Ų155130 Ų13081%0.81278%0.779SS**  cis-161.9131.1-23-171.458.3000111.7
618S27.7Very low27.1Very low106 Ų106128.6 Ų128.674%0.74177%0.77SS**  trans58.8134.3155.1-63.50000123.8
619T24.5Very low27.2Very low135 Ų135127 Ų12783%0.82877%0.77SS**  trans-85.5174.3163.133.90000112.3
620P39Very low27.4Very low124 Ų124128.8 Ų128.881%0.80577%0.767SS**  trans-97.8163.6-158.538-36.8000115.7
621S22.2Very low27.4Very low115 Ų115131.3 Ų131.380%0.80477%0.769SS**  trans-157.7148.315344.60000112.8
622S26.2Very low27.5Very low106 Ų106126 Ų12674%0.74175%0.752SS**  trans10.6149162.252.30000123.2
623T24.3Very low27.6Very low118 Ų118126.9 Ų126.972%0.72476%0.755SS**  trans110.1134.7147.5-41.30000116.8
624T24.9Very low27.4Very low131 Ų131126.1 Ų126.180%0.80474%0.744SS**  trans47114.2162.749.10000121.5
625G24.6Very low27.8Very low63 Ų63123.5 Ų123.565%0.64974%0.735SS**  85.3150.7112.700000119.6
626F27.7Very low27.6Very low191 Ų191125.1 Ų125.184%0.83874%0.739SS**  trans57.3101.9172.3-58.4-82.8000114.9
627S23.3Very low27.7Very low107 Ų107125.3 Ų125.375%0.74873%0.731SS**  cis64.5153.346-37.50000114
628I30.1Very low27.7Very low125 Ų125123.8 Ų123.864%0.64172%0.724SS**  trans77106.7-167.3-50.7168.5000110.3K630I628-K630 HydrophobicContact CG2-CB 3.99Å; I628-K630 HydrophobicContact CG2-CD 4.09Å; I628-K630 HydrophobicContact CG2-CG 3.87Å
629S25.6Very low27.8Very low118 Ų118125.4 Ų125.483%0.82572%0.722SS**  cis5569.515.2-75.90000114
630K31.6Very low27.8Very low166 Ų166124.4 Ų124.472%0.72272%0.716SS**  trans-117.6120.1149.6-102.4171.1-177.7178.90106.9I628I628-K630 HydrophobicContact CG2-CB 3.99Å; I628-K630 HydrophobicContact CG2-CD 4.09Å; I628-K630 HydrophobicContact CG2-CG 3.87Å
631Q25.8Very low27.1Very low149 Ų149125.9 Ų125.970%0.69672%0.718SS**  cis62.3127.240.5-140.1-171.120.900108
632Q26.2Very low27.2Very low103 Ų103129 Ų12948%0.48172%0.719SS.*  cis-141.9-178.444.6-132.890.3100109.5N634Q632-N634 HydrophobicContact CG-CB 3.9Å; Q632-N634 VanDerWaalsContact CG-OD1 3.23Å; Q632-N634 WeakPolarHBondContact CG-OD1 3.49Å; Q632-N634 PolarHBondContact NE2-OD1 2.76Å; Q632-N634 VanDerWaalsContact NE2-OD1 3.13Å
633T32.9Very low27.2Very low137 Ų137130.6 Ų130.684%0.8472%0.719SS**  cis-156.7149.44944.10000113.3
634N27.4Very low27.4Very low105 Ų105132.3 Ų132.356%0.56172%0.718SS**  cis-169.2167.1-23.9-159.49.2000109.3Q632Q632-N634 HydrophobicContact CG-CB 3.9Å; Q632-N634 VanDerWaalsContact CG-OD1 3.23Å; Q632-N634 WeakPolarHBondContact CG-OD1 3.49Å; Q632-N634 PolarHBondContact NE2-OD1 2.76Å; Q632-N634 VanDerWaalsContact NE2-OD1 3.13Å
635V33.9Very low27.5Very low98 Ų98133.5 Ų133.559%0.59471%0.712SS**  trans57.8143.3172.4-93.20000116.1
636D24.1Very low27.5Very low162 Ų162135.6 Ų135.687%0.86671%0.713SS**  cis-111.5-171.720.6-89-47.5000116.9
637N31.3Very low27.5Very low117 Ų117132.2 Ų132.263%0.62671%0.708SS**  trans-127.8135-152.2-94.6-70.8000116.5
638N29.3Very low27.4Very low123 Ų123132 Ų13266%0.65871%0.707SS**  47.1121.5128-75.8-45.6000124.3
639I28.3Very low27.1Very low140 Ų140130.8 Ų130.872%0.71871%0.709SS**  83.9139.4120.4-65.3170.9000121.8
640T24.5Very low27Very low114 Ų114132 Ų13270%0.69970%0.702SS**  trans83.5117.8160.733.60000123.7
641N25Very low26.7Very low156 Ų156131.3 Ų131.383%0.83470%0.701SS**  trans73.7159.2132.9-73.9-14000122.4
642Q25Very low26.7Very low180 Ų180130.2 Ų130.284%0.84170%0.699SS**  trans-71.2132.3-179.2-48.6167.934.100111.6
643L25.5Very low26.8Very low140 Ų140130.7 Ų130.773%0.73371%0.705SS**  -175.6151.4119-12973.9000110.6
644H28.4Very low26.6Very low153 Ų153131.3 Ų131.371%0.70870%0.698SS**  trans62.5162.2161.6-85-172.7000116
645K26.7Very low26.8Very low156 Ų156132.2 Ų132.268%0.67870%0.703SS**  cis-167166.7-34.3-141.5178.2-177.4169.20105.8
646T25.5Very low26.5Very low108 Ų108136 Ų13666%0.66371%0.711SS**  trans52.5124.1154.448.70000120.3
647T27.1Very low26.9Very low119 Ų119134.5 Ų134.573%0.7371%0.708SS**  trans62.8116.8139.658.70000117.4
648S21.9Very low26.7Very low104 Ų104134.4 Ų134.473%0.72772%0.716SS**  58.1142.952.2-44.70000113.1
649S23.7Very low26.7Very low99 Ų99131.6 Ų131.669%0.69272%0.716SS**  trans63.7131.1153.4-64.80000117.8
650E23.7Very low26.8Very low142 Ų142131.2 Ų131.266%0.66472%0.72SS**  cis161-176.83.8-115.2163.5140.400103.8
651H25.5Very low27Very low153 Ų153132.2 Ų132.271%0.70872%0.72SS**  trans71.9158.3139.4-83.7-22.8000119.4
652L25.7Very low27.1Very low126 Ų126129.8 Ų129.866%0.6671%0.711SS**  cis-142.5170.210.2-124.5146.3000111
653N27.5Very low27.3Very low113 Ų113130 Ų13060%0.60471%0.709SS**  trans75.4139.2163-54.2-22.7000117.2
654H29.4Very low27.5Very low149 Ų149128.5 Ų128.569%0.6971%0.711SS**  cis-161154.7-12.6-95.6-26.4000105
655N30.1Very low27.6Very low124 Ų124126.1 Ų126.166%0.66371%0.711SS**  cis-163.3151.833.4-118.5-40.7000110.3
656K28.8Very low27.6Very low178 Ų178124.3 Ų124.377%0.77471%0.713SS**  43.9117.7122.1-129.4174.2179.8175.10117.6
657V31.2Very low27.7Very low131 Ų131125 Ų12579%0.79472%0.717SS**  -179.7159.477.5152.70000108.9
658S27.6Very low27.8Very low114 Ų114125.7 Ų125.780%0.79772%0.722SS**  cis-179.9127.7-40-173.20000110
659G30.5Very low28.1Very low64 Ų64125.5 Ų125.566%0.6672%0.72SS**  trans93.6166.117400000115.8
660T28.9Very low28.3Very low132 Ų132125 Ų12581%0.8172%0.722SS**  cis-173.1151.5-9.826.20000109.9
661I29.2Very low28.6Very low136 Ų136124.7 Ų124.770%0.69773%0.73SS**  cis-169.7145.4-25.8-149.8-179.2000110.7
662T27.9Very low28.8Very low105 Ų105124.5 Ų124.564%0.64473%0.734SS**  trans62.2164.4164.363.60000119.7
663K27.8Very low29.1Very low184 Ų184124.7 Ų124.780%0.874%0.741SS**  cis-164.6145.5-25-98.1163.7-173.3171.90104.5
664S30.9Very low29.2Very low109 Ų109124.5 Ų124.576%0.76274%0.744SS**  155152.383.541.80000107.1
665S30.1Very low29.2Very low103 Ų103124.8 Ų124.872%0.7275%0.747SS**  cis-161.9143.1-6.4-93.60000111.2
666V27.4Very low29.1Very low117 Ų117124.5 Ų124.571%0.70975%0.75SS**  trans42.1114.1132.2-172.40000117.9
667T26.2Very low29.2Very low122 Ų122121.9 Ų121.975%0.74875%0.749SS**  cis72113.933.180.70000118
668T30.6Very low29Very low135 Ų135124.2 Ų124.283%0.82875%0.752SS**  trans-179.1148.5144.930.60000111
669S27.2Very low29.1Very low100 Ų100127.9 Ų127.970%0.69976%0.758SS**  cis176.9155.5-25.550.40000111.4
670A28.6Very low29.1Very low88 Ų88132.2 Ų132.273%0.72777%0.766SS**  trans73.7149.8149.400000118.4
671T30.6Very low29.2Very low135 Ų135131.2 Ų131.283%0.82877%0.765SS**  cis-154.6166.2-0.7-5.20000112.9
672N29.1Very low29.6Very low149 Ų149130.3 Ų130.380%0.79776%0.761SS**  trans-88.8171.9-176-52.2-33.6000114.6
673T32.6Very low30.4Very low130 Ų130131.7 Ų131.780%0.79877%0.77SS**  176.8105.6115.5-69.30000114.7
674T29.2Very low31.2Very low109 Ų109130.9 Ų130.967%0.66976%0.763SS**  trans43.6123.4131.3-39.30000123.7
675M28.4Very low31.8Very low156 Ų156131.9 Ų131.977%0.76876%0.759SS**  177.3129.7114.6-96.7-59.5169.800115.4
676T28.2Very low32.8Very low117 Ų117132.3 Ų132.372%0.71875%0.753SS**  trans42.7146.615051.50000121.9
677T31.7Very low33.8Very low124 Ų124132.1 Ų132.176%0.76175%0.754SS**  cis-155.4178.326.9-23.30000112.5
678Q27.1Very low34.7Very low180 Ų180134.3 Ų134.384%0.84176%0.756SS**  trans-44144177.8-61.7167-28.800117.1
679M28.5Very low35.8Very low191 Ų191129.4 Ų129.494%0.94173%0.726SS**  -162.1169.2125.3-103.6-59.3179.400110
680N31.6Very low37Very low154 Ų154131.2 Ų131.282%0.82472%0.724SS**  trans-127.4118.5-167.4-176.537.1000112
681S31.1Very low38.6Very low112 Ų112133.6 Ų133.678%0.78371%0.714SS**  trans-157.1155.5173.354.70000112.2
682N37.5Very low39.9Very low116 Ų116128.5 Ų128.562%0.6268%0.681SS**  trans-75.3143.6-171.2-63.9-41000113.2Y684 D685N682-Y684 PolarHBondContact O-N 2.85Å; N682-D685 PolarHBondContact O-N 2.93Å
683V43.7Very low41.2Very low135 Ų135125.2 Ų125.282%0.81867%0.667SS**THydrogen-bonded Turntrans-690.5174.3179.40000113.1
684Y45.8Very low42.3Very low167 Ų167123.3 Ų123.366%0.65565%0.649SS**THydrogen-bonded Turntrans-98.4-9-178.5-76.3-77.6000115.1N682N682-Y684 PolarHBondContact O-N 2.85Å
685D43.2Very low43.5Very low129 Ų129121.3 Ų121.369%0.6964%0.637SS**  trans-117.255.6-174.8-64.1-56.8000112.4N682N682-D685 PolarHBondContact O-N 2.93Å
686L50.6Low44.7Very low113 Ų113118.8 Ų118.859%0.59263%0.626SS**PPolyproline II helixtrans-96.3139.3160.6-83.481.9000109.5
687P47.4Very low45.9Very low112 Ų112118.8 Ų118.873%0.72762%0.616SS**PPolyproline II helixtrans-68.3151.617929.7-35.3000111.7
688E47.1Very low46.9Very low169 Ų169119 Ų11979%0.7961%0.608SS**PPolyproline II helixtrans-59.1129.9175.5-65.2-173.3152.800110.6E690E688-E690 PolarHBondContact O-N 3.46Å
689P52.5Low47.9Very low32 Ų32115.3 Ų115.321%0.20859%0.587CS.*PPolyproline II helixtrans-77118-176.331.1-34.5000110.2W691 I692 Y800P689-W691 PolarHBondContact O-N 3.42Å; P689-I692 HydrophobicContact CG-CD1 3.85Å; P689-I692 HydrophobicContact CG-CG1 4.31Å; P689-I692 PolarHBondContact O-N 3.27Å; P689-I692 VanDerWaalsContact O-N 3.13Å; P689-Y800 HydrophobicContact CG-CE2 4.05Å
690E51.6Low48.7Very low138 Ų138114.2 Ų114.265%0.64557%0.574SS**Hα-helixtrans-50.9-28.1-171.7-74.6-156.5138.200114.9E688 I692 T693 Q694E688-E690 PolarHBondContact O-N 3.46Å; E690-I692 PolarHBondContact O-N 2.78Å; E690-T693 CarbonylContact O-C 3.56Å; E690-T693 PolarHBondContact O-N 3.13Å; E690-T693 VanDerWaalsContact O-N 3.14Å; E690-Q694 WeakPolarHBondContact O-CB 3.47Å; E690-Q694 VanDerWaalsContact O-CG 3.3Å; E690-Q694 WeakPolarHBondContact O-CG 3.41Å; E690-Q694 PolarHBondContact O-N 3.23Å; E690-Q694 PolarHBondContact OE2-NE2 2.91Å
691W62.9Low49.4Very low138 Ų138111.6 Ų111.652%0.52356%0.557SS.*Hα-helixtrans-57.9-33.1-178.272.7-98.9000112.7P689 Q694 T695P689-W691 PolarHBondContact O-N 3.42Å; W691-Q694 PolarHBondContact O-N 3.22Å; W691-T695 WeakPolarHBondContact O-CB 3.26Å; W691-T695 PolarHBondContact O-N 2.97Å; W691-T695 PolarHBondContact O-OG1 3.42Å
692I58.1Low50Low27 Ų27113.2 Ų113.214%0.13855%0.547CS..Hα-helixtrans-66.9-48.7177.5-60.5175.2000109.9P689 E690 Q694 T695 L696 L803P689-I692 HydrophobicContact CG-CD1 3.85Å; P689-I692 HydrophobicContact CG-CG1 4.31Å; P689-I692 PolarHBondContact O-N 3.27Å; P689-I692 VanDerWaalsContact O-N 3.13Å; E690-I692 PolarHBondContact O-N 2.78Å; I692-Q694 VanDerWaalsContact C-N 3.28Å; I692-Q694 PolarHBondContact O-N 2.88Å; I692-T695 PolarHBondContact O-N 3.38Å; I692-L696 HydrophobicContact CG2-CD1 4.16Å; I692-L696 WeakPolarHBondContact O-CB 3.3Å; I692-L696 PolarHBondContact O-N 3.22Å; I692-L803 HydrophobicContact CD1-CD2 3.34Å
693T56.9Low50.2Low81 Ų81110.4 Ų110.450%0.49754%0.536SS..Hα-helixtrans-62.3-37.4176.7-47.60000111E690 K697E690-T693 CarbonylContact O-C 3.56Å; E690-T693 PolarHBondContact O-N 3.13Å; E690-T693 VanDerWaalsContact O-N 3.14Å; T693-K697 WeakPolarHBondContact O-CB 3.42Å; T693-K697 PolarHBondContact O-N 3.16Å
694Q54.6Low50.2Low89 Ų89108.8 Ų108.842%0.41652%0.522SS..Hα-helixtrans-72.9-40.4177.2-70.8173.87.500112.6E690 W691 I692 K697 Q698E690-Q694 WeakPolarHBondContact O-CB 3.47Å; E690-Q694 VanDerWaalsContact O-CG 3.3Å; E690-Q694 WeakPolarHBondContact O-CG 3.41Å; E690-Q694 PolarHBondContact O-N 3.23Å; E690-Q694 PolarHBondContact OE2-NE2 2.91Å; W691-Q694 PolarHBondContact O-N 3.22Å; I692-Q694 VanDerWaalsContact C-N 3.28Å; I692-Q694 PolarHBondContact O-N 2.88Å; Q694-K697 PolarHBondContact O-N 3.17Å; Q694-Q698 VanDerWaalsContact O-CB 3.29Å; Q694-Q698 WeakPolarHBondContact O-CB 3.36Å; Q694-Q698 VanDerWaalsContact O-CG 3.24Å; Q694-Q698 WeakPolarHBondContact O-CG 3.47Å; Q694-Q698 PolarHBondContact O-N 3.3Å
695T55.4Low49.9Very low68 Ų68105.4 Ų105.442%0.41752%0.518SS..Hα-helixtrans-67.4-44.9175.6-610000111.2W691 I692 Q698 Y699W691-T695 WeakPolarHBondContact O-CB 3.26Å; W691-T695 PolarHBondContact O-N 2.97Å; W691-T695 PolarHBondContact O-OG1 3.42Å; I692-T695 PolarHBondContact O-N 3.38Å; T695-Q698 PolarHBondContact O-N 2.86Å; T695-Y699 PolarHBondContact O-N 3.47Å
696L53.1Low49.7Very low102 Ų102105.4 Ų105.453%0.53451%0.514SS..Hα-helixtrans-62.9-42.5173.7-75.8171.4000111.4I692 Y699 Y700I692-L696 HydrophobicContact CG2-CD1 4.16Å; I692-L696 WeakPolarHBondContact O-CB 3.3Å; I692-L696 PolarHBondContact O-N 3.22Å; L696-Y699 PolarHBondContact O-N 3.02Å; L696-Y700 WeakPolarHBondContact O-CB 3.42Å; L696-Y700 PolarHBondContact O-N 3.45Å
697K53.9Low48.8Very low118 Ų118103.8 Ų103.851%0.51351%0.512SS..Hα-helixtrans-64.4-41.4175.4179.6178170.9-176.40112.4T693 Q694 Y699 Y700 E701T693-K697 WeakPolarHBondContact O-CB 3.42Å; T693-K697 PolarHBondContact O-N 3.16Å; Q694-K697 PolarHBondContact O-N 3.17Å; K697-Y699 VanDerWaalsContact C-N 3.34Å; K697-Y700 PolarHBondContact O-N 2.91Å; K697-E701 WeakPolarHBondContact CE-OE1 3.45Å; K697-E701 HydrophobicContact CG-CG 4.37Å; K697-E701 IonicContact NZ-OE1 2.68Å; K697-E701 WeakPolarHBondContact O-CB 3.47Å; K697-E701 WeakPolarHBondContact O-CG 3.45Å; K697-E701 PolarHBondContact O-N 3.43Å
698Q52.3Low47.9Very low128 Ų128107.6 Ų107.660%0.59852%0.517SS*.Hα-helixtrans-63-40.4174.6-79.7175.51.500111.2Q694 T695 E701 Y702Q694-Q698 VanDerWaalsContact O-CB 3.29Å; Q694-Q698 WeakPolarHBondContact O-CB 3.36Å; Q694-Q698 VanDerWaalsContact O-CG 3.24Å; Q694-Q698 WeakPolarHBondContact O-CG 3.47Å; Q694-Q698 PolarHBondContact O-N 3.3Å; T695-Q698 PolarHBondContact O-N 2.86Å; Q698-E701 PolarHBondContact O-N 2.97Å; Q698-Y702 VanDerWaalsContact O-CB 3.24Å; Q698-Y702 WeakPolarHBondContact O-CB 3.41Å; Q698-Y702 PolarHBondContact O-N 3.08Å
699Y47.3Very low47.4Very low102 Ų102104.8 Ų104.840%0.451%0.514SS..Hα-helixtrans-66.1-38.8174.2-165.1-88.2000112.1T695 L696 K697 S703 F782T695-Y699 PolarHBondContact O-N 3.47Å; L696-Y699 PolarHBondContact O-N 3.02Å; K697-Y699 VanDerWaalsContact C-N 3.34Å; Y699-S703 WeakPolarHBondContact O-CB 3.28Å; Y699-S703 PolarHBondContact O-N 2.76Å; Y699-S703 PolarHBondContact O-OG 2.93Å; Y699-F782 HydrophobicContact CE2-CD2 4.34Å
700Y46.6Very low46.1Very low168 Ų168110.7 Ų110.766%0.65954%0.543SS*.Hα-helixtrans-65.7-44.3174.3-127.5-97000112L696 K697 S703 I704L696-Y700 WeakPolarHBondContact O-CB 3.42Å; L696-Y700 PolarHBondContact O-N 3.45Å; K697-Y700 PolarHBondContact O-N 2.91Å; Y700-S703 PolarHBondContact O-N 3.44Å; Y700-I704 HydrophobicContact CD1-CD1 3.69Å; Y700-I704 HydrophobicContact CD1-CG1 4.49Å; Y700-I704 HydrophobicContact CE1-CD1 4.18Å; Y700-I704 WeakPolarHBondContact O-CB 3.4Å; Y700-I704 VanDerWaalsContact O-CG1 3.27Å; Y700-I704 WeakPolarHBondContact O-CG1 3.44Å; Y700-I704 PolarHBondContact O-N 3.5Å
701E46.1Very low45Very low100 Ų100111.2 Ų111.247%0.46755%0.549SS..Hα-helixtrans-68.4-36176.2-74.9-179.7-179.800111.8K697 Q698 I704 T705K697-E701 WeakPolarHBondContact CE-OE1 3.45Å; K697-E701 HydrophobicContact CG-CG 4.37Å; K697-E701 IonicContact NZ-OE1 2.68Å; K697-E701 WeakPolarHBondContact O-CB 3.47Å; K697-E701 WeakPolarHBondContact O-CG 3.45Å; K697-E701 PolarHBondContact O-N 3.43Å; Q698-E701 PolarHBondContact O-N 2.97Å; E701-I704 PolarHBondContact O-N 3.4Å; E701-T705 VanDerWaalsContact O-CB 3.29Å; E701-T705 WeakPolarHBondContact O-CB 3.49Å; E701-T705 WeakPolarHBondContact O-CG2 3.45Å; E701-T705 PolarHBondContact O-N 2.94Å; E701-T705 PolarHBondContact O-OG1 3.06Å
702Y43.9Very low43.4Very low146 Ų146109.5 Ų109.557%0.57356%0.556SS**Hα-helixtrans-63.5-43.9172.4-166.2-88.9000111.4Q698 T705 H706Q698-Y702 VanDerWaalsContact O-CB 3.24Å; Q698-Y702 WeakPolarHBondContact O-CB 3.41Å; Q698-Y702 PolarHBondContact O-N 3.08Å; Y702-T705 WeakPolarHBondContact CA-OG1 3.49Å; Y702-T705 PolarHBondContact O-OG1 3.49Å; Y702-T705 VanDerWaalsContact O-OG1 3.08Å; Y702-H706 AromaticContact CE1-CE1 3.84Å; Y702-H706 AromaticContact CE1-ND1 3.95Å; Y702-H706 AromaticContact CE2-CE1 3.71Å; Y702-H706 AromaticContact CZ-CE1 3.53Å; Y702-H706 PolarHBondContact O-N 3.35Å; Y702-H706 PolarHBondContact O-ND1 2.97Å
703S40.4Very low41.7Very low56 Ų56114.3 Ų114.339%0.39259%0.591SS.*Hα-helixtrans-62.2-45.8175.3-580000111.8Y699 Y700 S707Y699-S703 WeakPolarHBondContact O-CB 3.28Å; Y699-S703 PolarHBondContact O-N 2.76Å; Y699-S703 PolarHBondContact O-OG 2.93Å; Y700-S703 PolarHBondContact O-N 3.44Å; S703-S707 PolarHBondContact O-N 2.98Å; S703-S707 VanDerWaalsContact O-N 3.16Å; S703-S707 PolarHBondContact O-OG 2.93Å
704I43.7Very low40.2Very low102 Ų102113.7 Ų113.752%0.52360%0.6SS.*Hα-helixtrans-70.8-36.9-179.1-72.7170.6000112.4Y700 E701 H706 S707Y700-I704 HydrophobicContact CD1-CD1 3.69Å; Y700-I704 HydrophobicContact CD1-CG1 4.49Å; Y700-I704 HydrophobicContact CE1-CD1 4.18Å; Y700-I704 WeakPolarHBondContact O-CB 3.4Å; Y700-I704 VanDerWaalsContact O-CG1 3.27Å; Y700-I704 WeakPolarHBondContact O-CG1 3.44Å; Y700-I704 PolarHBondContact O-N 3.5Å; E701-I704 PolarHBondContact O-N 3.4Å; I704-H706 VanDerWaalsContact C-N 3.32Å; I704-H706 PolarHBondContact O-N 2.71Å; I704-S707 WeakPolarHBondContact CA-OG 3.49Å; I704-S707 PolarHBondContact O-N 3.41Å; I704-S707 PolarHBondContact O-OG 3.03Å; I704-S707 VanDerWaalsContact O-OG 3.07Å
705T41.1Very low38.7Very low95 Ų95116.6 Ų116.658%0.58362%0.618SS**Hα-helixtrans-70.6-27.6179.747.70000113E701 Y702E701-T705 VanDerWaalsContact O-CB 3.29Å; E701-T705 WeakPolarHBondContact O-CB 3.49Å; E701-T705 WeakPolarHBondContact O-CG2 3.45Å; E701-T705 PolarHBondContact O-N 2.94Å; E701-T705 PolarHBondContact O-OG1 3.06Å; Y702-T705 WeakPolarHBondContact CA-OG1 3.49Å; Y702-T705 PolarHBondContact O-OG1 3.49Å; Y702-T705 VanDerWaalsContact O-OG1 3.08Å
706H39.2Very low37.3Very low130 Ų130121.4 Ų121.460%0.60263%0.633SS**Hα-helixtrans-86.6-19.1173.6-70.872.8000113.2Y702 I704 K708Y702-H706 AromaticContact CE1-CE1 3.84Å; Y702-H706 AromaticContact CE1-ND1 3.95Å; Y702-H706 AromaticContact CE2-CE1 3.71Å; Y702-H706 AromaticContact CZ-CE1 3.53Å; Y702-H706 PolarHBondContact O-N 3.35Å; Y702-H706 PolarHBondContact O-ND1 2.97Å; I704-H706 VanDerWaalsContact C-N 3.32Å; I704-H706 PolarHBondContact O-N 2.71Å; H706-K708 PolarHBondContact O-N 3.34Å; H706-K708 VanDerWaalsContact O-N 3.15Å
707S30.4Very low36Very low78 Ų78119.9 Ų119.955%0.54563%0.631SS.*  trans-85.867.1173690000112.6S703 I704 P709S703-S707 PolarHBondContact O-N 2.98Å; S703-S707 VanDerWaalsContact O-N 3.16Å; S703-S707 PolarHBondContact O-OG 2.93Å; I704-S707 WeakPolarHBondContact CA-OG 3.49Å; I704-S707 PolarHBondContact O-N 3.41Å; I704-S707 PolarHBondContact O-OG 3.03Å; I704-S707 VanDerWaalsContact O-OG 3.07Å; S707-P709 WeakPolarHBondContact O-CD 3.2Å
708K28.3Very low34.8Very low192 Ų192117.3 Ų117.384%0.83564%0.637SS**  trans-109102.4178.4-152.3170.8-168.5174.40112H706H706-K708 PolarHBondContact O-N 3.34Å; H706-K708 VanDerWaalsContact O-N 3.15Å
709P36.2Very low33.6Very low111 Ų111116.2 Ų116.272%0.72163%0.632SS**  trans-86.2139.5-172.533.4-35.4000113.6S707S707-P709 WeakPolarHBondContact O-CD 3.2Å
710N27.1Very low32.5Very low155 Ų155115.6 Ų115.683%0.82964%0.635SS**  trans178.6145.3158.1-91.3-35.3000106.2
711I28.6Very low31.6Very low149 Ų149114.9 Ų114.976%0.76464%0.638SS**  cis-147164.311.8-125.1155.3000108.7
712P28.5Very low30.5Very low103 Ų103114.6 Ų114.667%0.66965%0.647SS**  trans-98.2166-15538-38000116.3
713C22.9Very low29.7Very low128 Ų128112.3 Ų112.387%0.86565%0.652SS**  165.3129.1123.8-91.70000115.6
714G24.2Very low28.9Very low67 Ų67115.2 Ų115.269%0.69167%0.668SS**  64.1106.6115.700000124.3
715L24.6Very low28.2Very low151 Ų151116.6 Ų116.679%0.79168%0.681SS**  72.3119.8124.3-59177.1000123.9
716F25.2Very low27.5Very low169 Ų169117.6 Ų117.674%0.74169%0.687SS**  trans78.2114.1134.6-73.7-48.7000124.9
717S25.2Very low27.1Very low70 Ų70118.1 Ų118.149%0.4970%0.7SS.*  77.590.1123.4-57.70000122.6T1702 T1703S717-T1702 WeakPolarHBondContact O-CB 3.45Å; S717-T1702 PolarHBondContact O-OG1 3.12Å; S717-T1703 VanDerWaalsContact O-CG2 3.26Å; S717-T1703 WeakPolarHBondContact O-CG2 3.32Å
718G28.6Very low26.9Very low63 Ų63120.7 Ų120.765%0.64971%0.713SS**  100-149.3127.200000119.4T1702G718-T1702 WeakPolarHBondContact CA-OG1 3.45Å
719E26.9Very low27Very low105 Ų105116.4 Ų116.449%0.49171%0.713SS.*  trans-106.6167.9-145.4-61.5167.978.400117T1701 T1702E719-T1701 CarbonylContact C-O 3.53Å; E719-T1701 WeakPolarHBondContact CB-O 3.29Å; E719-T1701 HydrophobicContact CG-CG2 4.42Å; E719-T1701 CarbonylContact O-C 3.12Å; E719-T1701 WeakPolarHBondContact OE2-CB 3.39Å; E719-T1701 WeakPolarHBondContact OE2-CG2 3.48Å; E719-T1701 PolarHBondContact OE2-OG1 3.37Å; E719-T1702 PolarHBondContact N-OG1 3.49Å; E719-T1702 PolarHBondContact O-N 2.8Å
720L25.8Very low26.6Very low89 Ų89116.8 Ų116.847%0.46671%0.713SS.*  trans111.6144.2136.9-91.5-175.1000124.5T1700 T1701L720-T1700 VanDerWaalsContact CD1-CB 3.48Å; L720-T1700 WeakPolarHBondContact CD1-O 3.44Å; L720-T1701 WeakPolarHBondContact CB-O 3.32Å
721H26.6Very low26.6Very low154 Ų154117.1 Ų117.171%0.71372%0.715SS**  trans72.2106.5160.3-70.4-53.2000122.8
722S23.9Very low26.6Very low93 Ų93113.9 Ų113.965%0.6572%0.718SS**  trans-41.3160.9146.455.60000114.6
723S26Very low26.5Very low99 Ų99113.1 Ų113.169%0.69273%0.729SS**  -166.8142.153-49.10000116.3
724T24.6Very low26.8Very low116 Ų116111 Ų11171%0.71273%0.729SS**  30.1122.5128.5-45.80000121.3
725T29.2Very low26.9Very low132 Ų132112 Ų11281%0.8174%0.74SS**  -168.7111115.316.90000115.8
726T26.1Very low27.1Very low116 Ų116108.4 Ų108.471%0.71274%0.738SS**  trans13.1138.1139.9550000122.6
727T30.4Very low27.3Very low141 Ų141107.5 Ų107.587%0.86575%0.747SS**  -150.9149.8112.8-2.40000114.1
728T26.3Very low27.5Very low132 Ų132107.3 Ų107.381%0.8176%0.756SS**  trans-57.2150.1-17649.50000118.6
729A31Very low27.5Very low102 Ų102111.4 Ų111.484%0.84376%0.763SS**  -170.5168.412300000111.8
730T27.2Very low27.7Very low119 Ų119113.2 Ų113.273%0.7378%0.775SS**  trans-125.4168-17351.90000114.3
731N27.6Very low27.8Very low162 Ų162120.6 Ų120.687%0.86680%0.797SS**  trans85.5148.3163.1-50.1-37.6000118.8
732G28.6Very low28Very low80 Ų80117 Ų11783%0.82580%0.801SS**  trans118.796.3156.700000115.2
733G26.5Very low28.2Very low88 Ų88118.6 Ų118.691%0.90781%0.813SS**  trans-88.3170.5166.700000112.7
734G28.2Very low28.4Very low84 Ų84117.7 Ų117.787%0.86682%0.818SS**  trans143.6124.8175.300000111.7
735G27.3Very low28.7Very low88 Ų88115.6 Ų115.691%0.90782%0.82SS**  trans-92.7168171.600000111.9
736G28.7Very low28.7Very low74 Ų74115.5 Ų115.576%0.76382%0.819SS**  trans173.998.6178.100000114.4
737T28.1Very low28.7Very low151 Ų151116.7 Ų116.793%0.92683%0.826SS**  trans-16.1140.5150.751.30000118.3
738G30.4Very low28.6Very low65 Ų65113 Ų11367%0.6782%0.816SS**  trans147.210714700000117.4
739D29.1Very low28.7Very low150 Ų150113.1 Ų113.180%0.80282%0.817SS**  48.3143.4108.6-68.115.9000121.4
740L29.3Very low28.5Very low143 Ų143115.6 Ų115.675%0.74982%0.815SS**  cis-173179.1-9.1-116.8175.1000109.3
741R29.8Very low28.9Very low244 Ų244114.7 Ų114.792%0.92181%0.811SS**  trans77.7147.2170.3-53.7168.6170.3-106.6-5.9115.4
742G30.7Very low29Very low77 Ų77117 Ų11779%0.79481%0.813SS**  cis165.5173.7-2.300000110.1
743S28Very low28.9Very low128 Ų128120.2 Ų120.290%0.89581%0.812SS**  cis-168.1155.60.7-173.20000111.2
744G30.1Very low28.9Very low79 Ų79125.5 Ų125.581%0.81481%0.81SS**  trans90.5151.4172.200000115.3
745G30.2Very low29.1Very low72 Ų72128.6 Ų128.674%0.74280%0.802SS**  cis143.1153.92.500000110.9
746V29.7Very low29.1Very low130 Ų130133.1 Ų133.179%0.78880%0.799SS**  cis-160.2143.82.5-163.30000110.4
747T26.3Very low29.1Very low142 Ų142134 Ų13487%0.87179%0.794SS**  trans60.1147.4159.239.60000121.9
748G27.9Very low29.2Very low63 Ų63132 Ų13265%0.64978%0.778SS**  cis166.1-176.5-5.400000115.1
749V28.1Very low29.3Very low135 Ų135138.4 Ų138.482%0.81879%0.787SS**  trans74.3100.4174.2-168.20000114.8
750L25.8Very low29.3Very low154 Ų154138.3 Ų138.381%0.80679%0.786SS**  74.7151.870.4-67171.1000114.7
751P36.1Very low29.3Very low99 Ų99139.6 Ų139.664%0.64379%0.789SS**  -137.7170.7-5938.8-21.8000113
752F29.3Very low29.2Very low211 Ų211136.4 Ų136.493%0.92579%0.789SS**  trans-169.6140.6148.7-104.2-62.4000112.1
753D26.8Very low28.9Very low148 Ų148135.9 Ų135.979%0.79178%0.783SS**  trans-92.3121.7-173.7-48.5-84.2000113.4
754F26.5Very low28.8Very low199 Ų199135.3 Ų135.387%0.87378%0.778SS**  trans-157.8163.5151.6-134.2-104.6000109.6
755E32.5Very low28.4Very low148 Ų148139.4 Ų139.469%0.69278%0.776SS**  trans66.327.1180-58.5-138127.300118.6S757E755-S757 VanDerWaalsContact C-N 3.31Å; E755-S757 PolarHBondContact O-N 3.31Å
756Q27.9Very low28.2Very low183 Ų183144.9 Ų144.986%0.85578%0.782SS**THydrogen-bonded Turntrans-95.641.1163-157.2154.432.600112.9
757S28Very low28.1Very low94 Ų94145.7 Ų145.766%0.65778%0.781SS**THydrogen-bonded Turntrans-148.98.9175.678.10000115.6E755E755-S757 VanDerWaalsContact C-N 3.31Å; E755-S757 PolarHBondContact O-N 3.31Å
758L30.9Very low28Very low109 Ų109144.7 Ų144.757%0.57178%0.779SS**SBendtrans-97.3-15.7179.2-154.174.6000113.3
759F32.8Very low27.9Very low198 Ų198146.9 Ų146.987%0.86878%0.78SS**SBendtrans-107.8-14.7-173.6-101.4-85.7000115.6
760D28.8Very low27.7Very low148 Ų148147.5 Ų147.579%0.79178%0.779SS**SBendtrans-95.17.4-177.9-76.1-41000114.1
761Q28.2Very low27.8Very low170 Ų170148.8 Ų148.879%0.79479%0.786SS**SBendtrans-129.856.9-175.5-159.1174.5-6.400114.5
762L28.7Very low27.3Very low178 Ų178148.2 Ų148.293%0.93278%0.784SS**  trans-166.7108.9142.4-104.5169.3000108.8
763G23.9Very low27.1Very low65 Ų65145.7 Ų145.767%0.6778%0.775SS**  trans-109.1175-18000000113.5
764C25.4Very low27.1Very low117 Ų117146.4 Ų146.479%0.79178%0.779SS**  trans68.6147.5179.9-61.70000116.4
765E23.7Very low27.3Very low165 Ų165143.1 Ų143.177%0.77178%0.781SS**  cis-170.4156.9-36.2-123.3166152.500108.2
766E24.1Very low27.1Very low187 Ų187144.5 Ų144.587%0.87479%0.789SS**  trans61.6156.4177.6-50.9-172124.800115.3
767I28Very low27.2Very low146 Ų146143.7 Ų143.775%0.74979%0.791SS**  cis-118.4133.40.2-64.1167.1000108.9
768S23.8Very low27.3Very low121 Ų121146 Ų14685%0.84680%0.795SS**  trans-114.7112.9162.5-73.80000110
769T25.8Very low27.4Very low109 Ų109145.7 Ų145.767%0.66980%0.8SS**  trans-162.4139.1155.720.60000111.3
770N24.8Very low27.6Very low148 Ų148143.8 Ų143.879%0.79180%0.799SS**  trans64.581.1155.4-54.5-23.3000118.7
771L27.3Very low28.1Very low182 Ų182143.9 Ų143.995%0.95379%0.794SS**  -155.697.1124.9-108.3167.8000109
772S25.9Very low28.9Very low86 Ų86140.4 Ų140.460%0.60178%0.777SS**  trans-95.9160.7172.4-164.10000110.4
773E26.1Very low30.6Very low159 Ų159135.9 Ų135.974%0.74376%0.757SS**  trans50.293.6166.5-67.2136.9-104.800115.3
774N26.4Very low32.4Very low163 Ų163136.7 Ų136.787%0.87275%0.75SS**  -172.5116.668.3-84.7-73.5000112.4
775S30.4Very low34.1Very low129 Ų129136.6 Ų136.690%0.90274%0.742SS**  trans-160.3154.5152.7-166.90000109.8
776M28.1Very low36.3Very low178 Ų178130 Ų13088%0.87772%0.715SS**  trans-88.5158.1-168.2-71.1-171.7174.700114.7
777N29.9Very low38.7Very low166 Ų166124.4 Ų124.489%0.88869%0.691SS**  trans-45.5132.2178.3-61.5-80.3000115
778L30.5Very low40.6Very low142 Ų142118.2 Ų118.274%0.74366%0.659SS**  trans-144.8131.5152.6-146.870.9000108.9
779P33.3Very low42.9Very low103 Ų103117.7 Ų117.767%0.66965%0.646SS**  trans-84.7137.9-165.531.5-35.5000114Q781P779-Q781 VanDerWaalsContact C-N 3.3Å; P779-Q781 PolarHBondContact O-N 3.4Å
780N35.6Very low45.3Very low158 Ų158116.6 Ų116.685%0.84563%0.632SS**  trans37.543.6156.8-66.314.8000117.8
781Q39.3Very low47.8Very low150 Ų150110.5 Ų110.570%0.70160%0.599SS**PPolyproline II helixtrans-83.4139.9162.5-68.4-172.9-4.200109.9P779 T783P779-Q781 VanDerWaalsContact C-N 3.3Å; P779-Q781 PolarHBondContact O-N 3.4Å; Q781-T783 PolarHBondContact O-N 2.97Å; Q781-T783 VanDerWaalsContact O-N 3.13Å
782F46.9Very low50.1Low96 Ų96103.7 Ų103.742%0.42157%0.566SS.*PPolyproline II helixtrans-52.8117.1-179.3-135.2-130.4000109.9Y699 A786 L787 F790Y699-F782 HydrophobicContact CE2-CD2 4.34Å; F782-A786 HydrophobicContact CD1-CB 3.98Å; F782-A786 HydrophobicContact CD2-CB 4.17Å; F782-A786 VanDerWaalsContact CE1-C 3.4Å; F782-A786 HydrophobicContact CE1-CB 4.02Å; F782-A786 VanDerWaalsContact CE1-O 3.29Å; F782-A786 WeakPolarHBondContact CE1-O 3.4Å; F782-A786 HydrophobicContact CE2-CB 4.2Å; F782-A786 HydrophobicContact CG-CB 4.05Å; F782-A786 HydrophobicContact CZ-CB 4.13Å; F782-L787 VanDerWaalsContact CD1-CA 3.5Å; F782-L787 HydrophobicContact CD1-CB 3.95Å; F782-L787 HydrophobicContact CD1-CD1 4.03Å; F782-L787 VanDerWaalsContact CD1-N 3.35Å; F782-F790 HydrophobicContact CE1-CB 3.78Å; F782-F790 HydrophobicContact CE1-CG 4.32Å; F782-F790 HydrophobicContact CZ-CB 4.14Å
783T62.7Low52.3Low84 Ų84101.9 Ų101.952%0.51555%0.554SS.*PPolyproline II helixtrans-62.3151.7178.660.90000109.6Q781 N785 A786 L787Q781-T783 PolarHBondContact O-N 2.97Å; Q781-T783 VanDerWaalsContact O-N 3.13Å; T783-N785 PolarHBondContact O-N 2.96Å; T783-N785 VanDerWaalsContact O-N 3.13Å; T783-A786 WeakPolarHBondContact O-CA 3.43Å; T783-A786 WeakPolarHBondContact O-CB 3.49Å; T783-A786 PolarHBondContact O-N 2.95Å; T783-A786 WeakPolarHBondContact OG1-CB 3.23Å; T783-A786 PolarHBondContact OG1-N 3.4Å; T783-L787 PolarHBondContact O-N 3.12Å
784P61.9Low54.6Low82 Ų8295.4 Ų95.453%0.53252%0.524SS..Hα-helixtrans-52.4-38.4176.6-29.436.5000112.3L787 M788P784-L787 PolarHBondContact O-N 3.29Å; P784-M788 WeakPolarHBondContact O-CB 3.43Å; P784-M788 WeakPolarHBondContact O-CG 3.4Å; P784-M788 PolarHBondContact O-N 3.28Å
785N62.1Low56.8Low114 Ų11488 Ų8861%0.6149%0.486SS*.Hα-helixtrans-65.1-41.2174.2-71.98.3000112.9T783 M788 I789T783-N785 PolarHBondContact O-N 2.96Å; T783-N785 VanDerWaalsContact O-N 3.13Å; N785-M788 PolarHBondContact O-N 2.96Å; N785-I789 WeakPolarHBondContact O-CB 3.36Å; N785-I789 WeakPolarHBondContact O-CD1 3.38Å; N785-I789 VanDerWaalsContact O-CG1 3.24Å; N785-I789 WeakPolarHBondContact O-CG1 3.36Å; N785-I789 PolarHBondContact O-N 3.16Å
786A70Confident58.7Low27 Ų2789.3 Ų89.322%0.22348%0.477CS..Hα-helixtrans-63-40.8174.700000112.1F782 T783 M788 I789 F790F782-A786 HydrophobicContact CD1-CB 3.98Å; F782-A786 HydrophobicContact CD2-CB 4.17Å; F782-A786 VanDerWaalsContact CE1-C 3.4Å; F782-A786 HydrophobicContact CE1-CB 4.02Å; F782-A786 VanDerWaalsContact CE1-O 3.29Å; F782-A786 WeakPolarHBondContact CE1-O 3.4Å; F782-A786 HydrophobicContact CE2-CB 4.2Å; F782-A786 HydrophobicContact CG-CB 4.05Å; F782-A786 HydrophobicContact CZ-CB 4.13Å; T783-A786 WeakPolarHBondContact O-CA 3.43Å; T783-A786 WeakPolarHBondContact O-CB 3.49Å; T783-A786 PolarHBondContact O-N 2.95Å; T783-A786 WeakPolarHBondContact OG1-CB 3.23Å; T783-A786 PolarHBondContact OG1-N 3.4Å; A786-M788 VanDerWaalsContact C-N 3.31Å; A786-M788 PolarHBondContact O-N 2.76Å; A786-I789 PolarHBondContact O-N 3.14Å; A786-F790 WeakPolarHBondContact O-CB 3.25Å; A786-F790 PolarHBondContact O-N 2.9Å
787L73.1Confident60.4Low70 Ų7085 Ų8537%0.36647%0.465SS..Hα-helixtrans-59.3-44.3173.9-17074.4000111.2F782 T783 P784 F790 L791F782-L787 VanDerWaalsContact CD1-CA 3.5Å; F782-L787 HydrophobicContact CD1-CB 3.95Å; F782-L787 HydrophobicContact CD1-CD1 4.03Å; F782-L787 VanDerWaalsContact CD1-N 3.35Å; T783-L787 PolarHBondContact O-N 3.12Å; P784-L787 PolarHBondContact O-N 3.29Å; L787-F790 PolarHBondContact O-N 3.34Å; L787-L791 HydrophobicContact CG-CD1 4.11Å; L787-L791 WeakPolarHBondContact O-CB 3.49Å; L787-L791 VanDerWaalsContact O-CG 3.28Å; L787-L791 WeakPolarHBondContact O-CG 3.37Å; L787-L791 PolarHBondContact O-N 3.48Å
788M69.3Low61.8Low16 Ų1678 Ų788%0.07943%0.428CS..Hα-helixtrans-70.2-38.6-179.5-66.3-60.4-76.500112.7P784 N785 A786 L791 C792 Q811 S814 Y815P784-M788 WeakPolarHBondContact O-CB 3.43Å; P784-M788 WeakPolarHBondContact O-CG 3.4Å; P784-M788 PolarHBondContact O-N 3.28Å; N785-M788 PolarHBondContact O-N 2.96Å; A786-M788 VanDerWaalsContact C-N 3.31Å; A786-M788 PolarHBondContact O-N 2.76Å; M788-L791 PolarHBondContact O-N 3.08Å; M788-C792 WeakPolarHBondContact O-CB 3.44Å; M788-C792 PolarHBondContact O-N 3.26Å; M788-C792 PolarHBondContact O-SG 3.13Å; M788-Q811 HydrophobicContact CE-CB 4.35Å; M788-Q811 HydrophobicContact CE-CG 3.43Å; M788-Q811 VanDerWaalsContact CE-CG 3.43Å; M788-Q811 WeakPolarHBondContact CE-O 3.47Å; M788-Q811 HydrophobicContact SD-CG 4.17Å; M788-S814 WeakPolarHBondContact SD-CB 3.22Å; M788-Y815 HydrophobicContact CE-CD1 3.55Å; M788-Y815 HydrophobicContact CE-CD2 3.22Å; M788-Y815 HydrophobicContact CE-CE1 3.49Å; M788-Y815 VanDerWaalsContact CE-CE1 3.49Å; M788-Y815 HydrophobicContact CE-CE2 3.17Å; M788-Y815 HydrophobicContact CE-CG 3.4Å
789I72Confident63Low110 Ų11076.5 Ų76.556%0.56443%0.426SS*.Hα-helixtrans-64.7-43.5173.6-68.8162.5000110.5N785 A786 C792 S793N785-I789 WeakPolarHBondContact O-CB 3.36Å; N785-I789 WeakPolarHBondContact O-CD1 3.38Å; N785-I789 VanDerWaalsContact O-CG1 3.24Å; N785-I789 WeakPolarHBondContact O-CG1 3.36Å; N785-I789 PolarHBondContact O-N 3.16Å; A786-I789 PolarHBondContact O-N 3.14Å; I789-C792 WeakPolarHBondContact O-CB 3.5Å; I789-C792 PolarHBondContact O-N 3.01Å; I789-S793 PolarHBondContact O-N 2.93Å; I789-S793 PolarHBondContact O-OG 3.32Å
790F75.6Confident64.4Low86 Ų8675.5 Ų75.538%0.37741%0.41SS..Hα-helixtrans-62-45.8175.7176.8-102.1000112.2F782 A786 L787 S793 L794F782-F790 HydrophobicContact CE1-CB 3.78Å; F782-F790 HydrophobicContact CE1-CG 4.32Å; F782-F790 HydrophobicContact CZ-CB 4.14Å; A786-F790 WeakPolarHBondContact O-CB 3.25Å; A786-F790 PolarHBondContact O-N 2.9Å; L787-F790 PolarHBondContact O-N 3.34Å; F790-S793 PolarHBondContact O-N 3.16Å; F790-L794 HydrophobicContact CE1-CD2 4.27Å; F790-L794 HydrophobicContact CZ-CD2 4.49Å; F790-L794 WeakPolarHBondContact O-CB 3.37Å; F790-L794 PolarHBondContact O-N 3.02Å
791L76.5Confident66.1Low20 Ų2072.2 Ų72.211%0.10540%0.397CS..Hα-helixtrans-65.5-38.7177-70.8171.1000112.2L787 M788 A795 A807 A810 Q811L787-L791 HydrophobicContact CG-CD1 4.11Å; L787-L791 WeakPolarHBondContact O-CB 3.49Å; L787-L791 VanDerWaalsContact O-CG 3.28Å; L787-L791 WeakPolarHBondContact O-CG 3.37Å; L787-L791 PolarHBondContact O-N 3.48Å; M788-L791 PolarHBondContact O-N 3.08Å; L791-A795 VanDerWaalsContact O-CB 3.32Å; L791-A795 WeakPolarHBondContact O-CB 3.38Å; L791-A795 PolarHBondContact O-N 2.9Å; L791-A807 HydrophobicContact CD2-CB 4.47Å; L791-A810 HydrophobicContact CD1-CB 4.04Å; L791-A810 HydrophobicContact CD2-CB 4.02Å; L791-Q811 HydrophobicContact CB-CB 4.24Å
792C76.9Confident67.6Low38 Ų3873.6 Ų73.626%0.25740%0.396SS..Hα-helixtrans-56.2-54.6169.3-77.80000111.2M788 I789 L794 A795 H796 Q811M788-C792 WeakPolarHBondContact O-CB 3.44Å; M788-C792 PolarHBondContact O-N 3.26Å; M788-C792 PolarHBondContact O-SG 3.13Å; I789-C792 WeakPolarHBondContact O-CB 3.5Å; I789-C792 PolarHBondContact O-N 3.01Å; C792-L794 VanDerWaalsContact C-N 3.34Å; C792-L794 PolarHBondContact O-N 2.86Å; C792-A795 PolarHBondContact O-N 3.33Å; C792-H796 PolarHBondContact O-N 2.94Å; C792-H796 VanDerWaalsContact O-N 3.13Å; C792-H796 PolarHBondContact O-ND1 2.68Å; C792-Q811 PolarHBondContact SG-NE2 3.43Å
793S72.1Confident68.8Low49 Ų4970.7 Ų70.734%0.34339%0.385SS..Hα-helixtrans-59.9-43.9-178.8-65.70000111.8I789 F790 A795 H796 S797I789-S793 PolarHBondContact O-N 2.93Å; I789-S793 PolarHBondContact O-OG 3.32Å; F790-S793 PolarHBondContact O-N 3.16Å; S793-A795 VanDerWaalsContact C-N 3.35Å; S793-A795 PolarHBondContact O-N 3.19Å; S793-H796 PolarHBondContact O-N 2.63Å; S793-S797 VanDerWaalsContact O-CB 3.25Å; S793-S797 WeakPolarHBondContact O-CB 3.43Å; S793-S797 PolarHBondContact O-N 2.97Å; S793-S797 PolarHBondContact O-OG 3.08Å
794L73.5Confident69.5Low23 Ų2368.3 Ų68.312%0.1237%0.371CS..Hα-helixtrans-64.5-36.8178.6-16670.8000112.4F790 C792 T798 A807F790-L794 HydrophobicContact CE1-CD2 4.27Å; F790-L794 HydrophobicContact CZ-CD2 4.49Å; F790-L794 WeakPolarHBondContact O-CB 3.37Å; F790-L794 PolarHBondContact O-N 3.02Å; C792-L794 VanDerWaalsContact C-N 3.34Å; C792-L794 PolarHBondContact O-N 2.86Å; L794-T798 HydrophobicContact CD1-CG2 3.7Å; L794-T798 HydrophobicContact CG-CG2 4.18Å; L794-T798 WeakPolarHBondContact O-CB 3.24Å; L794-T798 VanDerWaalsContact O-CG2 3.23Å; L794-T798 WeakPolarHBondContact O-CG2 3.29Å; L794-T798 PolarHBondContact O-OG1 3.28Å; L794-A807 HydrophobicContact CB-CB 4.39Å; L794-A807 HydrophobicContact CD2-CB 4.23Å; L794-A807 HydrophobicContact CG-CB 4.42Å
795A74.1Confident70Confident8 Ų870.6 Ų70.67%0.06638%0.375CS..Hα-helixtrans-68.4-32.1176.200000113.3L791 C792 S793 S804 A807L791-A795 VanDerWaalsContact O-CB 3.32Å; L791-A795 WeakPolarHBondContact O-CB 3.38Å; L791-A795 PolarHBondContact O-N 2.9Å; C792-A795 PolarHBondContact O-N 3.33Å; S793-A795 VanDerWaalsContact C-N 3.35Å; S793-A795 PolarHBondContact O-N 3.19Å; A795-S804 PolarHBondContact O-OG 3.49Å; A795-A807 HydrophobicContact CB-CB 4.04Å
796H68.7Low70.7Confident156 Ų15670.8 Ų70.872%0.72238%0.376SS*.Hα-helixtrans-95.8-20.3-176.2-67.482.3000114.6C792 S793C792-H796 PolarHBondContact O-N 2.94Å; C792-H796 VanDerWaalsContact O-N 3.13Å; C792-H796 PolarHBondContact O-ND1 2.68Å; S793-H796 PolarHBondContact O-N 2.63Å
797S64.4Low71.1Confident87 Ų8769.8 Ų69.861%0.60837%0.367SS*.Hα-helixtrans-101-14.5-174.969.60000115.2S793S793-S797 VanDerWaalsContact O-CB 3.25Å; S793-S797 WeakPolarHBondContact O-CB 3.43Å; S793-S797 PolarHBondContact O-N 2.97Å; S793-S797 PolarHBondContact O-OG 3.08Å
798T59Low71.2Confident20 Ų2071.4 Ų71.412%0.12337%0.373CS..  trans-91.5127-170.354.80000112.8L794 Y800 L803L794-T798 HydrophobicContact CD1-CG2 3.7Å; L794-T798 HydrophobicContact CG-CG2 4.18Å; L794-T798 WeakPolarHBondContact O-CB 3.24Å; L794-T798 VanDerWaalsContact O-CG2 3.23Å; L794-T798 WeakPolarHBondContact O-CG2 3.29Å; L794-T798 PolarHBondContact O-OG1 3.28Å; T798-Y800 PolarHBondContact O-N 2.7Å; T798-L803 HydrophobicContact CG2-CD2 3.67Å; T798-L803 HydrophobicContact CG2-CG 4.46Å
799P56.1Low71.7Confident109 Ų10974.3 Ų74.371%0.70839%0.393SS*.SBendtrans-77.518.1179.733.5-37.1000113.6
800Y63.1Low72Confident83 Ų8370.8 Ų70.833%0.32538%0.381SS..  trans-119.6102.6-173.1-61-73.3000109.6P689 T798 R802 L803 S804P689-Y800 HydrophobicContact CG-CE2 4.05Å; T798-Y800 PolarHBondContact O-N 2.7Å; Y800-R802 VanDerWaalsContact C-N 3.33Å; Y800-R802 PolarHBondContact O-N 3.18Å; Y800-L803 WeakPolarHBondContact O-CB 3.13Å; Y800-L803 PolarHBondContact O-N 3.25Å; Y800-S804 PolarHBondContact O-N 3.4Å
801P71.9Confident72.1Confident89 Ų8967.6 Ų67.658%0.57837%0.367SS*.Hα-helixtrans-60.1-38.1-167.619.3-31.4000113.7L803 S804 E805P801-L803 VanDerWaalsContact C-N 3.3Å; P801-L803 PolarHBondContact O-N 3.1Å; P801-S804 PolarHBondContact O-N 2.98Å; P801-E805 WeakPolarHBondContact O-CG 3.37Å; P801-E805 PolarHBondContact O-N 3.44Å
802R69Low72.1Confident179 Ų17970.9 Ų70.968%0.67538%0.384SS*.Hα-helixtrans-60.9-35.1175.8-77.7-177.7167.8169.8-2.5113.6Y800 L806Y800-R802 VanDerWaalsContact C-N 3.33Å; Y800-R802 PolarHBondContact O-N 3.18Å; R802-L806 WeakPolarHBondContact O-CB 3.34Å; R802-L806 PolarHBondContact O-N 3.47Å
803L73.1Confident72.2Confident34 Ų3473.4 Ų73.418%0.17840%0.399CS..Hα-helixtrans-75.1-39.8179.1179.264.7000110.8I692 T798 Y800 P801 L806 A807I692-L803 HydrophobicContact CD1-CD2 3.34Å; T798-L803 HydrophobicContact CG2-CD2 3.67Å; T798-L803 HydrophobicContact CG2-CG 4.46Å; Y800-L803 WeakPolarHBondContact O-CB 3.13Å; Y800-L803 PolarHBondContact O-N 3.25Å; P801-L803 VanDerWaalsContact C-N 3.3Å; P801-L803 PolarHBondContact O-N 3.1Å; L803-L806 PolarHBondContact O-N 3.08Å; L803-A807 WeakPolarHBondContact O-CB 3.39Å; L803-A807 PolarHBondContact O-N 3.43Å
804S77Confident72.4Confident34 Ų3472.9 Ų72.924%0.23840%0.395CS..Hα-helixtrans-59-48.4172-179.90000111.2A795 Y800 P801 L806 A807 H808A795-S804 PolarHBondContact O-OG 3.49Å; Y800-S804 PolarHBondContact O-N 3.4Å; P801-S804 PolarHBondContact O-N 2.98Å; S804-L806 PolarHBondContact O-N 3.15Å; S804-A807 PolarHBondContact O-N 2.76Å; S804-H808 WeakPolarHBondContact O-CB 3.46Å; S804-H808 PolarHBondContact O-N 2.95Å
805E72.9Confident72.5Confident130 Ų13077.3 Ų77.361%0.60741%0.411SS*.Hα-helixtrans-59.1-42.9174.8-73.1-178129.100112.6P801 H808 C809P801-E805 WeakPolarHBondContact O-CG 3.37Å; P801-E805 PolarHBondContact O-N 3.44Å; E805-H808 PolarHBondContact O-N 2.87Å; E805-C809 WeakPolarHBondContact O-CB 3.24Å; E805-C809 PolarHBondContact O-N 2.75Å; E805-C809 PolarHBondContact O-SG 2.73Å
806L76.3Confident72.7Confident119 Ų11982.1 Ų82.162%0.62343%0.427SS*.Hα-helixtrans-66.2-43.5178.8-175.762.5000112.1R802 L803 S804 C809 A810R802-L806 WeakPolarHBondContact O-CB 3.34Å; R802-L806 PolarHBondContact O-N 3.47Å; L803-L806 PolarHBondContact O-N 3.08Å; S804-L806 PolarHBondContact O-N 3.15Å; L806-C809 PolarHBondContact O-N 3.32Å; L806-A810 WeakPolarHBondContact O-CB 3.42Å; L806-A810 PolarHBondContact O-N 3.15Å
807A77.8Confident73.2Confident5 Ų581 Ų814%0.04143%0.426CS..Hα-helixtrans-62.4-42.4175.400000111.5L791 L794 A795 L803 S804 A810 Q811L791-A807 HydrophobicContact CD2-CB 4.47Å; L794-A807 HydrophobicContact CB-CB 4.39Å; L794-A807 HydrophobicContact CD2-CB 4.23Å; L794-A807 HydrophobicContact CG-CB 4.42Å; A795-A807 HydrophobicContact CB-CB 4.04Å; L803-A807 WeakPolarHBondContact O-CB 3.39Å; L803-A807 PolarHBondContact O-N 3.43Å; S804-A807 PolarHBondContact O-N 2.76Å; A807-A810 PolarHBondContact O-N 2.97Å; A807-Q811 WeakPolarHBondContact O-CB 3.45Å; A807-Q811 PolarHBondContact O-N 3.4Å
808H76.6Confident74Confident105 Ų10580.3 Ų80.349%0.48642%0.415SS..Hα-helixtrans-69.3-32.4178.6-153.4-33.4000112.5S804 E805 L812S804-H808 WeakPolarHBondContact O-CB 3.46Å; S804-H808 PolarHBondContact O-N 2.95Å; E805-H808 PolarHBondContact O-N 2.87Å; H808-L812 WeakPolarHBondContact O-CB 3.37Å; H808-L812 PolarHBondContact O-N 3.44Å
809C78.7Confident74.9Confident76 Ų7683.7 Ų83.751%0.51444%0.436SS..Hα-helixtrans-68.2-42170.2-72.30000112.4E805 L806 L812 T813E805-C809 WeakPolarHBondContact O-CB 3.24Å; E805-C809 PolarHBondContact O-N 2.75Å; E805-C809 PolarHBondContact O-SG 2.73Å; L806-C809 PolarHBondContact O-N 3.32Å; C809-L812 PolarHBondContact O-N 3.2Å; C809-T813 WeakPolarHBondContact O-CB 3.44Å; C809-T813 PolarHBondContact O-N 3.18Å; C809-T813 PolarHBondContact O-OG1 2.88Å
810A78.4Confident76.1Confident36 Ų3682.1 Ų82.130%0.29842%0.418SS..Hα-helixtrans-62.9-45.3175.200000111.1L791 L806 A807 L812 T813 S814L791-A810 HydrophobicContact CD1-CB 4.04Å; L791-A810 HydrophobicContact CD2-CB 4.02Å; L806-A810 WeakPolarHBondContact O-CB 3.42Å; L806-A810 PolarHBondContact O-N 3.15Å; A807-A810 PolarHBondContact O-N 2.97Å; A810-L812 PolarHBondContact O-N 2.86Å; A810-T813 WeakPolarHBondContact O-CB 3.46Å; A810-T813 PolarHBondContact O-N 2.72Å; A810-T813 VanDerWaalsContact O-N 3.17Å; A810-S814 PolarHBondContact O-N 3.42Å; A810-S814 PolarHBondContact O-OG 2.79Å
811Q77.7Confident76.8Confident20 Ų2083.5 Ų83.59%0.09343%0.43CS..Hα-helixtrans-56.2-50.3174.1-173.2-168.7-1.900111.6M788 L791 C792 A807 T813 S814 Y815M788-Q811 HydrophobicContact CE-CB 4.35Å; M788-Q811 HydrophobicContact CE-CG 3.43Å; M788-Q811 VanDerWaalsContact CE-CG 3.43Å; M788-Q811 WeakPolarHBondContact CE-O 3.47Å; M788-Q811 HydrophobicContact SD-CG 4.17Å; L791-Q811 HydrophobicContact CB-CB 4.24Å; C792-Q811 PolarHBondContact SG-NE2 3.43Å; A807-Q811 WeakPolarHBondContact O-CB 3.45Å; A807-Q811 PolarHBondContact O-N 3.4Å; Q811-T813 VanDerWaalsContact C-N 3.27Å; Q811-T813 PolarHBondContact O-N 2.74Å; Q811-S814 PolarHBondContact O-N 2.94Å; Q811-Y815 HydrophobicContact CG-CD2 4.24Å; Q811-Y815 HydrophobicContact CG-CE2 3.98Å; Q811-Y815 PolarHBondContact O-N 3.34Å
812L77.6Confident77Confident89 Ų8981.9 Ų81.947%0.46642%0.424SS..Hα-helixtrans-60.8-36.5178-176.663.5000112.3H808 C809 A810 R816H808-L812 WeakPolarHBondContact O-CB 3.37Å; H808-L812 PolarHBondContact O-N 3.44Å; C809-L812 PolarHBondContact O-N 3.2Å; A810-L812 PolarHBondContact O-N 2.86Å; L812-R816 WeakPolarHBondContact O-CD 3.29Å; L812-R816 VanDerWaalsContact O-CG 3.22Å; L812-R816 WeakPolarHBondContact O-CG 3.22Å; L812-R816 PolarHBondContact O-N 3.22Å; L812-R816 VanDerWaalsContact O-N 3.14Å
813T78.9Confident77.4Confident91 Ų9176.4 Ų76.456%0.55841%0.406SS*.Hα-helixtrans-68.9-43.2177.5-55.60000111.5C809 A810 Q811 R816 L817C809-T813 WeakPolarHBondContact O-CB 3.44Å; C809-T813 PolarHBondContact O-N 3.18Å; C809-T813 PolarHBondContact O-OG1 2.88Å; A810-T813 WeakPolarHBondContact O-CB 3.46Å; A810-T813 PolarHBondContact O-N 2.72Å; A810-T813 VanDerWaalsContact O-N 3.17Å; Q811-T813 VanDerWaalsContact C-N 3.27Å; Q811-T813 PolarHBondContact O-N 2.74Å; T813-R816 PolarHBondContact O-N 3.1Å; T813-L817 PolarHBondContact O-N 2.8Å
814S75.2Confident77.9Confident37 Ų3781.7 Ų81.726%0.25943%0.425SS..Hα-helixtrans-65.2-39.9176.4-69.50000112.9M788 A810 Q811 L817 L818M788-S814 WeakPolarHBondContact SD-CB 3.22Å; A810-S814 PolarHBondContact O-N 3.42Å; A810-S814 PolarHBondContact O-OG 2.79Å; Q811-S814 PolarHBondContact O-N 2.94Å; S814-L817 PolarHBondContact O-N 2.74Å; S814-L818 PolarHBondContact O-N 3.01Å
815Y76Confident78.2Confident116 Ų11686 Ų8646%0.45544%0.441SS..Hα-helixtrans-59.5-47.4170.5-83.7-51.2000111.7M788 Q811 L817 L818 T819M788-Y815 HydrophobicContact CE-CD1 3.55Å; M788-Y815 HydrophobicContact CE-CD2 3.22Å; M788-Y815 HydrophobicContact CE-CE1 3.49Å; M788-Y815 VanDerWaalsContact CE-CE1 3.49Å; M788-Y815 HydrophobicContact CE-CE2 3.17Å; M788-Y815 HydrophobicContact CE-CG 3.4Å; Q811-Y815 HydrophobicContact CG-CD2 4.24Å; Q811-Y815 HydrophobicContact CG-CE2 3.98Å; Q811-Y815 PolarHBondContact O-N 3.34Å; Y815-L817 VanDerWaalsContact C-N 3.26Å; Y815-L817 PolarHBondContact O-N 2.94Å; Y815-L818 PolarHBondContact O-N 3.2Å; Y815-L818 VanDerWaalsContact O-N 3.16Å; Y815-T819 PolarHBondContact O-N 2.91Å; Y815-T819 PolarHBondContact O-OG1 2.88Å
816R78.6Confident78.7Confident110 Ų11082.4 Ų82.442%0.41543%0.43SS..Hα-helixtrans-60.4-34.7178.4-73.1165.7173.6-138.8-7.3112.9L812 T813 T819 K820 Q1266L812-R816 WeakPolarHBondContact O-CD 3.29Å; L812-R816 VanDerWaalsContact O-CG 3.22Å; L812-R816 WeakPolarHBondContact O-CG 3.22Å; L812-R816 PolarHBondContact O-N 3.22Å; L812-R816 VanDerWaalsContact O-N 3.14Å; T813-R816 PolarHBondContact O-N 3.1Å; R816-T819 WeakPolarHBondContact CA-OG1 3.37Å; R816-T819 PolarHBondContact O-OG1 3.43Å; R816-K820 WeakPolarHBondContact O-CG 3.27Å; R816-K820 PolarHBondContact O-N 3.05Å; R816-Q1266 VanDerWaalsContact CZ-OE1 3.25Å
817L79.3Confident79.1Confident132 Ų13279.6 Ų79.669%0.69142%0.416SS*.Hα-helixtrans-68.9-45.5175-159.385.6000111.2T813 S814 Y815 T819 K820 L821T813-L817 PolarHBondContact O-N 2.8Å; S814-L817 PolarHBondContact O-N 2.74Å; Y815-L817 VanDerWaalsContact C-N 3.26Å; Y815-L817 PolarHBondContact O-N 2.94Å; L817-T819 PolarHBondContact O-N 3.18Å; L817-K820 PolarHBondContact O-N 3.47Å; L817-L821 PolarHBondContact O-N 3.14Å
818L80Confident79.4Confident73 Ų7383.2 Ų83.238%0.38244%0.44SS..Hα-helixtrans-64.9-38.8179.9-17362.8000112.2S814 Y815 L821 A822S814-L818 PolarHBondContact O-N 3.01Å; Y815-L818 PolarHBondContact O-N 3.2Å; Y815-L818 VanDerWaalsContact O-N 3.16Å; L818-L821 HydrophobicContact CD1-CD2 4.42Å; L818-L821 PolarHBondContact O-N 2.76Å; L818-A822 PolarHBondContact O-N 3.32Å
819T78Confident79.9Confident91 Ų9183.1 Ų83.156%0.55844%0.442SS*.Hα-helixtrans-65.6-37.417451.70000112.4Y815 R816 L817 A822 H823Y815-T819 PolarHBondContact O-N 2.91Å; Y815-T819 PolarHBondContact O-OG1 2.88Å; R816-T819 WeakPolarHBondContact CA-OG1 3.37Å; R816-T819 PolarHBondContact O-OG1 3.43Å; L817-T819 PolarHBondContact O-N 3.18Å; T819-A822 PolarHBondContact O-N 2.97Å; T819-H823 PolarHBondContact O-N 3.28Å
820K81.9Confident80.3Confident75 Ų7583.5 Ų83.533%0.32644%0.442SS..Hα-helixtrans-68.2-38.9174-75-163.4173.2-150.60111.9R816 L817 H823 Y824R816-K820 WeakPolarHBondContact O-CG 3.27Å; R816-K820 PolarHBondContact O-N 3.05Å; L817-K820 PolarHBondContact O-N 3.47Å; K820-H823 PolarHBondContact O-N 2.71Å; K820-Y824 HydrophobicContact CB-CE2 4.36Å; K820-Y824 WeakPolarHBondContact O-CD2 3.31Å; K820-Y824 PolarHBondContact O-N 3.25Å
821L77.3Confident80.8Confident113 Ų11387.2 Ų87.259%0.59246%0.457SS*.Hα-helixtrans-60.4-46.2174.1-168.779.5000111.6L817 L818 H823 Y824 Q825L817-L821 PolarHBondContact O-N 3.14Å; L818-L821 HydrophobicContact CD1-CD2 4.42Å; L818-L821 PolarHBondContact O-N 2.76Å; L821-H823 PolarHBondContact O-N 3.17Å; L821-Y824 PolarHBondContact O-N 3.4Å; L821-Q825 WeakPolarHBondContact O-CB 3.41Å; L821-Q825 PolarHBondContact O-N 3.32Å
822A76.4Confident81.2Confident55 Ų5592.8 Ų92.846%0.45548%0.483SS..Hα-helixtrans-62.8-4017800000112.5L818 T819 Q825 S826L818-A822 PolarHBondContact O-N 3.32Å; T819-A822 PolarHBondContact O-N 2.97Å; A822-Q825 PolarHBondContact O-N 2.97Å; A822-S826 PolarHBondContact O-N 3.26Å; A822-S826 PolarHBondContact O-OG 2.78Å
823H77.6Confident81.6Confident64 Ų6491.3 Ų91.330%0.29648%0.483SS..Hα-helixtrans-63-49.2175.3-173.34.3000111.7T819 K820 L821 Q825 S826 D827T819-H823 PolarHBondContact O-N 3.28Å; K820-H823 PolarHBondContact O-N 2.71Å; L821-H823 PolarHBondContact O-N 3.17Å; H823-Q825 PolarHBondContact O-N 3.01Å; H823-S826 PolarHBondContact O-N 2.86Å; H823-S826 VanDerWaalsContact O-N 3.12Å; H823-S826 PolarHBondContact O-OG 3.39Å; H823-D827 IonicContact CE1-OD1 2.88Å; H823-D827 PolarHBondContact CE1-OD1 2.73Å; H823-D827 IonicContact CE1-OD2 2.59Å; H823-D827 PolarHBondContact CE1-OD2 3.03Å; H823-D827 IonicContact ND1-OD1 3.43Å; H823-D827 PolarHBondContact ND1-OD1 3.44Å; H823-D827 IonicContact ND1-OD2 3.89Å; H823-D827 PolarHBondContact ND1-OD2 3.31Å; H823-D827 PolarHBondContact O-N 3.38Å; H823-D827 VanDerWaalsContact O-OD1 3.08Å
824Y83.6Confident82Confident144 Ų14489.7 Ų89.757%0.56547%0.471SS*.Hα-helixtrans-61-34.3175.7-65.9-46.8000112.4K820 L821 D827 C828K820-Y824 HydrophobicContact CB-CE2 4.36Å; K820-Y824 WeakPolarHBondContact O-CD2 3.31Å; K820-Y824 PolarHBondContact O-N 3.25Å; L821-Y824 PolarHBondContact O-N 3.4Å; Y824-D827 PolarHBondContact O-N 2.99Å; Y824-C828 PolarHBondContact O-N 2.99Å; Y824-C828 PolarHBondContact O-SG 2.97Å
825Q84Confident82.4Confident126 Ų12693.9 Ų93.959%0.58949%0.49SS*.Hα-helixtrans-66.4-40.6174.5-172.9175.8-5.500112.3L821 A822 H823 L829L821-Q825 WeakPolarHBondContact O-CB 3.41Å; L821-Q825 PolarHBondContact O-N 3.32Å; A822-Q825 PolarHBondContact O-N 2.97Å; H823-Q825 PolarHBondContact O-N 3.01Å; Q825-L829 WeakPolarHBondContact O-CG 3.45Å; Q825-L829 PolarHBondContact O-N 2.78Å
826S82.4Confident82.9Confident54 Ų5491.2 Ų91.238%0.37849%0.492SS..Hα-helixtrans-65.6-38.9173.352.40000112.3A822 H823 C828 L829 V830A822-S826 PolarHBondContact O-N 3.26Å; A822-S826 PolarHBondContact O-OG 2.78Å; H823-S826 PolarHBondContact O-N 2.86Å; H823-S826 VanDerWaalsContact O-N 3.12Å; H823-S826 PolarHBondContact O-OG 3.39Å; S826-C828 PolarHBondContact O-N 2.91Å; S826-L829 PolarHBondContact O-N 3.27Å; S826-V830 WeakPolarHBondContact O-CG2 3.3Å; S826-V830 PolarHBondContact O-N 2.87Å
827D84.1Confident83.2Confident59 Ų5991.7 Ų91.732%0.31650%0.499SS..Hα-helixtrans-65.2-41.5-180-57.9-12000111H823 Y824 L829 V830 L831H823-D827 IonicContact CE1-OD1 2.88Å; H823-D827 PolarHBondContact CE1-OD1 2.73Å; H823-D827 IonicContact CE1-OD2 2.59Å; H823-D827 PolarHBondContact CE1-OD2 3.03Å; H823-D827 IonicContact ND1-OD1 3.43Å; H823-D827 PolarHBondContact ND1-OD1 3.44Å; H823-D827 IonicContact ND1-OD2 3.89Å; H823-D827 PolarHBondContact ND1-OD2 3.31Å; H823-D827 PolarHBondContact O-N 3.38Å; H823-D827 VanDerWaalsContact O-OD1 3.08Å; Y824-D827 PolarHBondContact O-N 2.99Å; D827-L829 VanDerWaalsContact C-N 3.33Å; D827-L829 PolarHBondContact O-N 3.3Å; D827-V830 PolarHBondContact O-N 2.89Å; D827-L831 WeakPolarHBondContact O-CB 3.44Å; D827-L831 VanDerWaalsContact O-CG 3.3Å; D827-L831 WeakPolarHBondContact O-CG 3.42Å; D827-L831 PolarHBondContact O-N 2.98Å
828C85.4Confident83.7Confident82 Ų8291 Ų9155%0.55450%0.495SS*.Hα-helixtrans-60.7-39173.1-72.30000112.9Y824 S826 Q832Y824-C828 PolarHBondContact O-N 2.99Å; Y824-C828 PolarHBondContact O-SG 2.97Å; S826-C828 PolarHBondContact O-N 2.91Å; C828-Q832 WeakPolarHBondContact O-CB 3.31Å; C828-Q832 PolarHBondContact O-N 3.39Å
829L86.7Confident84.1Confident102 Ų10293.8 Ų93.853%0.53450%0.504SS..Hα-helixtrans-69.1-39.9177.2-71.2170.1000112.1Q825 S826 D827 Q832 A833Q825-L829 WeakPolarHBondContact O-CG 3.45Å; Q825-L829 PolarHBondContact O-N 2.78Å; S826-L829 PolarHBondContact O-N 3.27Å; D827-L829 VanDerWaalsContact C-N 3.33Å; D827-L829 PolarHBondContact O-N 3.3Å; L829-Q832 PolarHBondContact O-N 3.17Å; L829-A833 PolarHBondContact O-N 2.99Å
830V88.1Confident84.6Confident84 Ų8492.8 Ų92.851%0.50950%0.501SS..Hα-helixtrans-64.9-43.5174.2172.60000110.9S826 D827 Q832 A833 N834S826-V830 WeakPolarHBondContact O-CG2 3.3Å; S826-V830 PolarHBondContact O-N 2.87Å; D827-V830 PolarHBondContact O-N 2.89Å; V830-Q832 VanDerWaalsContact C-N 3.32Å; V830-Q832 PolarHBondContact O-N 3.27Å; V830-A833 PolarHBondContact O-N 3.22Å; V830-N834 WeakPolarHBondContact O-CB 3.31Å; V830-N834 PolarHBondContact O-N 3.03Å; V830-N834 PolarHBondContact O-OD1 3.33Å
831L87.5Confident84.8Confident115 Ų11592.3 Ų92.360%0.60250%0.502SS*.Hα-helixtrans-61.4-39.1174.4-73.9167.7000112.3D827 L835D827-L831 WeakPolarHBondContact O-CB 3.44Å; D827-L831 VanDerWaalsContact O-CG 3.3Å; D827-L831 WeakPolarHBondContact O-CG 3.42Å; D827-L831 PolarHBondContact O-N 2.98Å; L831-L835 VanDerWaalsContact O-CB 3.32Å; L831-L835 WeakPolarHBondContact O-CB 3.3Å; L831-L835 PolarHBondContact O-N 3.25Å
832Q87Confident85.2Confident136 Ų13689.1 Ų89.164%0.63649%0.491SS*.Hα-helixtrans-66-40176-174.4174.7-1.400112.3C828 L829 V830 A836C828-Q832 WeakPolarHBondContact O-CB 3.31Å; C828-Q832 PolarHBondContact O-N 3.39Å; L829-Q832 PolarHBondContact O-N 3.17Å; V830-Q832 VanDerWaalsContact C-N 3.32Å; V830-Q832 PolarHBondContact O-N 3.27Å; Q832-A836 PolarHBondContact O-N 3.24Å; Q832-A836 VanDerWaalsContact O-N 3.14Å
833A85.5Confident85.7Confident58 Ų5891 Ų9148%0.47949%0.494SS..Hα-helixtrans-64.8-48.4174.700000111.8L829 V830 L835 A836 E837L829-A833 PolarHBondContact O-N 2.99Å; V830-A833 PolarHBondContact O-N 3.22Å; A833-L835 VanDerWaalsContact C-N 3.3Å; A833-L835 PolarHBondContact O-N 3.33Å; A833-A836 WeakPolarHBondContact O-CB 3.28Å; A833-A836 PolarHBondContact O-N 3.38Å; A833-A836 VanDerWaalsContact O-N 3.12Å; A833-E837 PolarHBondContact O-N 3.14Å
834N87.2Confident86.3Confident58 Ų5893.2 Ų93.231%0.3151%0.505SS..Hα-helixtrans-60-39.7178-67.6-7.6000111.8V830 A836 E837 I838V830-N834 WeakPolarHBondContact O-CB 3.31Å; V830-N834 PolarHBondContact O-N 3.03Å; V830-N834 PolarHBondContact O-OD1 3.33Å; N834-A836 VanDerWaalsContact C-N 3.34Å; N834-E837 PolarHBondContact O-N 3.31Å; N834-I838 WeakPolarHBondContact O-CB 3.47Å; N834-I838 WeakPolarHBondContact O-CD1 3.34Å; N834-I838 VanDerWaalsContact O-CG1 3.23Å; N834-I838 WeakPolarHBondContact O-CG1 3.43Å; N834-I838 PolarHBondContact O-N 3.16Å
835L84.5Confident86.2Confident124 Ų12490.8 Ų90.865%0.64950%0.499SS*.Hα-helixtrans-66.5-35.9177.1-167.6152.6000111.9L831 A833 K839L831-L835 VanDerWaalsContact O-CB 3.32Å; L831-L835 WeakPolarHBondContact O-CB 3.3Å; L831-L835 PolarHBondContact O-N 3.25Å; A833-L835 VanDerWaalsContact C-N 3.3Å; A833-L835 PolarHBondContact O-N 3.33Å; L835-K839 WeakPolarHBondContact O-CB 3.42Å; L835-K839 PolarHBondContact O-N 2.98Å
836A86.1Confident86.4Confident61 Ų6189.8 Ų89.850%0.50450%0.495SS..Hα-helixtrans-68-41173.700000112.4Q832 A833 N834 K839 S840Q832-A836 PolarHBondContact O-N 3.24Å; Q832-A836 VanDerWaalsContact O-N 3.14Å; A833-A836 WeakPolarHBondContact O-CB 3.28Å; A833-A836 PolarHBondContact O-N 3.38Å; A833-A836 VanDerWaalsContact O-N 3.12Å; N834-A836 VanDerWaalsContact C-N 3.34Å; A836-K839 PolarHBondContact O-N 3.1Å; A836-S840 PolarHBondContact O-N 3.44Å
837E84.8Confident86.4Confident120 Ų12090.5 Ų90.556%0.56150%0.499SS*.Hα-helixtrans-64.1-48.6175.1-166.8-169.1144.500111.4A833 N834 K839 S840 N841A833-E837 PolarHBondContact O-N 3.14Å; N834-E837 PolarHBondContact O-N 3.31Å; E837-K839 VanDerWaalsContact C-N 3.25Å; E837-K839 PolarHBondContact O-N 3.34Å; E837-S840 PolarHBondContact O-N 3.43Å; E837-S840 VanDerWaalsContact O-N 3.1Å; E837-N841 VanDerWaalsContact O-CG 3.31Å; E837-N841 PolarHBondContact O-N 3.38Å; E837-N841 PolarHBondContact O-ND2 2.76Å
838I88.3Confident86.3Confident117 Ų11791.3 Ų91.360%0.650%0.501SS*.Hα-helixtrans-57.3-40.1176.2-70.4165.3000110.8N834 N841 A842N834-I838 WeakPolarHBondContact O-CB 3.47Å; N834-I838 WeakPolarHBondContact O-CD1 3.34Å; N834-I838 VanDerWaalsContact O-CG1 3.23Å; N834-I838 WeakPolarHBondContact O-CG1 3.43Å; N834-I838 PolarHBondContact O-N 3.16Å; I838-N841 PolarHBondContact O-N 2.93Å; I838-A842 WeakPolarHBondContact O-CB 3.48Å; I838-A842 PolarHBondContact O-N 2.95Å
839K89.5Confident86.3Confident132 Ų13292.1 Ų92.157%0.57450%0.499SS*.Hα-helixtrans-63.6-48.4174.5-173.6-175.4173-171.60111.9L835 A836 E837 N841 A842 D843L835-K839 WeakPolarHBondContact O-CB 3.42Å; L835-K839 PolarHBondContact O-N 2.98Å; A836-K839 PolarHBondContact O-N 3.1Å; E837-K839 VanDerWaalsContact C-N 3.25Å; E837-K839 PolarHBondContact O-N 3.34Å; K839-N841 VanDerWaalsContact C-N 3.26Å; K839-N841 PolarHBondContact O-N 3.35Å; K839-A842 WeakPolarHBondContact O-CB 3.42Å; K839-A842 PolarHBondContact O-N 2.94Å; K839-A842 VanDerWaalsContact O-N 3.09Å; K839-D843 WeakPolarHBondContact CE-OD2 3.33Å; K839-D843 PolarHBondContact O-N 3.37Å
840S87.4Confident86.1Confident70 Ų7091.3 Ų91.349%0.4950%0.495SS..Hα-helixtrans-58.6-40.5178.2-169.70000111.8A836 E837 D843 Q844A836-S840 PolarHBondContact O-N 3.44Å; E837-S840 PolarHBondContact O-N 3.43Å; E837-S840 VanDerWaalsContact O-N 3.1Å; S840-D843 PolarHBondContact O-N 2.88Å; S840-Q844 WeakPolarHBondContact O-CB 3.43Å; S840-Q844 PolarHBondContact O-N 3.31Å
841N87.5Confident85.9Confident65 Ų6591.7 Ų91.735%0.34849%0.492SS..Hα-helixtrans-67.7-36.3176.5-67.7-21.2000111.8E837 I838 K839 M845E837-N841 VanDerWaalsContact O-CG 3.31Å; E837-N841 PolarHBondContact O-N 3.38Å; E837-N841 PolarHBondContact O-ND2 2.76Å; I838-N841 PolarHBondContact O-N 2.93Å; K839-N841 VanDerWaalsContact C-N 3.26Å; K839-N841 PolarHBondContact O-N 3.35Å; N841-M845 WeakPolarHBondContact O-CG 3.5Å; N841-M845 PolarHBondContact O-N 3.39Å
842A85.7Confident85.8Confident45 Ų4591.4 Ų91.437%0.37249%0.49SS..Hα-helixtrans-67.3-44.6173.800000112.5I838 K839 Q844 M845 Q846I838-A842 WeakPolarHBondContact O-CB 3.48Å; I838-A842 PolarHBondContact O-N 2.95Å; K839-A842 WeakPolarHBondContact O-CB 3.42Å; K839-A842 PolarHBondContact O-N 2.94Å; K839-A842 VanDerWaalsContact O-N 3.09Å; A842-Q844 VanDerWaalsContact C-N 3.29Å; A842-Q844 PolarHBondContact O-N 2.93Å; A842-M845 PolarHBondContact O-N 2.81Å; A842-Q846 PolarHBondContact O-N 3.18Å
843D87.1Confident85.6Confident96 Ų9691.6 Ų91.651%0.51349%0.49SS..Hα-helixtrans-61.9-38176-70-29.4000110.8K839 S840 C847K839-D843 WeakPolarHBondContact CE-OD2 3.33Å; K839-D843 PolarHBondContact O-N 3.37Å; S840-D843 PolarHBondContact O-N 2.88Å; D843-C847 PolarHBondContact O-N 3.42Å; D843-C847 VanDerWaalsContact O-N 3.12Å
844Q89Confident85.5Confident110 Ų11092 Ų9251%0.51449%0.49SS..Hα-helixtrans-65.2-47172.5-179.9175.3-16.100112.7S840 A842 Q846 C847 Q848S840-Q844 WeakPolarHBondContact O-CB 3.43Å; S840-Q844 PolarHBondContact O-N 3.31Å; A842-Q844 VanDerWaalsContact C-N 3.29Å; A842-Q844 PolarHBondContact O-N 2.93Å; Q844-Q846 VanDerWaalsContact C-N 3.31Å; Q844-Q846 PolarHBondContact O-N 3.46Å; Q844-C847 WeakPolarHBondContact O-CB 3.39Å; Q844-C847 PolarHBondContact O-N 3.21Å; Q844-Q848 PolarHBondContact O-N 2.86Å
845M82.5Confident85.3Confident93 Ų9392.7 Ų92.746%0.45849%0.493SS..Hα-helixtrans-62.5-37.5177.2-75.7-174-66.600112N841 A842 C847 Q848 L849N841-M845 WeakPolarHBondContact O-CG 3.5Å; N841-M845 PolarHBondContact O-N 3.39Å; A842-M845 PolarHBondContact O-N 2.81Å; M845-C847 VanDerWaalsContact C-N 3.34Å; M845-C847 PolarHBondContact O-N 3.25Å; M845-Q848 PolarHBondContact O-N 3.32Å; M845-L849 WeakPolarHBondContact O-CG 3.36Å; M845-L849 PolarHBondContact O-N 3.45Å
846Q87.1Confident84.8Confident105 Ų10594.8 Ų94.849%0.49149%0.493SS..Hα-helixtrans-63.5-40.3174.2-172.363.564.800111.6A842 Q844 Q848 L849 N850A842-Q846 PolarHBondContact O-N 3.18Å; Q844-Q846 VanDerWaalsContact C-N 3.31Å; Q844-Q846 PolarHBondContact O-N 3.46Å; Q846-Q848 VanDerWaalsContact C-N 3.34Å; Q846-Q848 PolarHBondContact O-N 2.81Å; Q846-L849 PolarHBondContact O-N 2.77Å; Q846-N850 PolarHBondContact NE2-OD1 3.04Å; Q846-N850 PolarHBondContact O-N 2.96Å; Q846-N850 PolarHBondContact O-OD1 3.25Å; Q846-N850 VanDerWaalsContact O-OD1 3.04Å
847C83.7Confident84.6Confident68 Ų6895.7 Ų95.746%0.45950%0.495SS..Hα-helixtrans-63.4-38.4174.8-170.10000112.4D843 Q844 M845 Q851D843-C847 PolarHBondContact O-N 3.42Å; D843-C847 VanDerWaalsContact O-N 3.12Å; Q844-C847 WeakPolarHBondContact O-CB 3.39Å; Q844-C847 PolarHBondContact O-N 3.21Å; M845-C847 VanDerWaalsContact C-N 3.34Å; M845-C847 PolarHBondContact O-N 3.25Å; C847-Q851 WeakPolarHBondContact O-CG 3.35Å; C847-Q851 PolarHBondContact O-N 2.89Å; C847-Q851 PolarHBondContact O-NE2 3.37Å; C847-Q851 PolarHBondContact SG-NE2 3.16Å
848Q82.5Confident84.4Confident76 Ų7694.1 Ų94.136%0.35549%0.49SS..Hα-helixtrans-68.5-42.1175.1-70.9179.6-38.300112.3Q844 M845 Q846 N850 Q851 I852Q844-Q848 PolarHBondContact O-N 2.86Å; M845-Q848 PolarHBondContact O-N 3.32Å; Q846-Q848 VanDerWaalsContact C-N 3.34Å; Q846-Q848 PolarHBondContact O-N 2.81Å; Q848-N850 PolarHBondContact O-N 2.99Å; Q848-Q851 PolarHBondContact O-N 3.41Å; Q848-I852 WeakPolarHBondContact O-CG1 3.45Å; Q848-I852 PolarHBondContact O-N 3.36Å
849L84.1Confident84Confident100 Ų10093.1 Ų93.152%0.52449%0.485SS..Hα-helixtrans-59.4-46.2175.2-77.9168.1000111.7M845 Q846 Q851 I852 E853M845-L849 WeakPolarHBondContact O-CG 3.36Å; M845-L849 PolarHBondContact O-N 3.45Å; Q846-L849 PolarHBondContact O-N 2.77Å; L849-Q851 VanDerWaalsContact C-N 3.26Å; L849-Q851 PolarHBondContact O-N 2.97Å; L849-I852 PolarHBondContact O-N 3.45Å; L849-I852 VanDerWaalsContact O-N 3.14Å; L849-E853 WeakPolarHBondContact O-CB 3.49Å; L849-E853 PolarHBondContact O-N 2.75Å
850N83.4Confident83.6Confident85 Ų8590.2 Ų90.246%0.45548%0.475SS..Hα-helixtrans-60.2-35.9177.6-65.25.9000112.3Q846 Q848 S854Q846-N850 PolarHBondContact NE2-OD1 3.04Å; Q846-N850 PolarHBondContact O-N 2.96Å; Q846-N850 PolarHBondContact O-OD1 3.25Å; Q846-N850 VanDerWaalsContact O-OD1 3.04Å; Q848-N850 PolarHBondContact O-N 2.99Å; N850-S854 WeakPolarHBondContact O-CB 3.46Å; N850-S854 PolarHBondContact O-N 2.97Å; N850-S854 VanDerWaalsContact O-N 3.11Å
851Q84.3Confident83.1Confident92 Ų9294.2 Ų94.243%0.4348%0.48SS..Hα-helixtrans-70.4-41.1175.1-72.5172.159.900112.1C847 Q848 L849 S854 N855C847-Q851 WeakPolarHBondContact O-CG 3.35Å; C847-Q851 PolarHBondContact O-N 2.89Å; C847-Q851 PolarHBondContact O-NE2 3.37Å; C847-Q851 PolarHBondContact SG-NE2 3.16Å; Q848-Q851 PolarHBondContact O-N 3.41Å; L849-Q851 VanDerWaalsContact C-N 3.26Å; L849-Q851 PolarHBondContact O-N 2.97Å; Q851-S854 PolarHBondContact O-N 2.84Å; Q851-N855 WeakPolarHBondContact O-CB 3.39Å; Q851-N855 PolarHBondContact O-N 3.43Å; Q851-N855 PolarHBondContact O-ND2 2.88Å
852I85.3Confident82.6Confident109 Ų10993.4 Ų93.456%0.55948%0.482SS*.Hα-helixtrans-65-41.9176.9-68.2164.8000110.8Q848 L849 N855 W856Q848-I852 WeakPolarHBondContact O-CG1 3.45Å; Q848-I852 PolarHBondContact O-N 3.36Å; L849-I852 PolarHBondContact O-N 3.45Å; L849-I852 VanDerWaalsContact O-N 3.14Å; I852-N855 PolarHBondContact O-N 3.39Å; I852-W856 WeakPolarHBondContact O-CB 3.34Å; I852-W856 PolarHBondContact O-N 3.12Å
853E82.4Confident82Confident140 Ų14095.4 Ų95.465%0.65449%0.485SS*.Hα-helixtrans-63.6-42.1176.3-174.3172.2-159.300112L849 W856 S857L849-E853 WeakPolarHBondContact O-CB 3.49Å; L849-E853 PolarHBondContact O-N 2.75Å; E853-W856 PolarHBondContact O-N 3.47Å; E853-S857 PolarHBondContact O-N 2.85Å
854S82.7Confident81.7Confident67 Ų6795.7 Ų95.747%0.46948%0.483SS..Hα-helixtrans-62-48.1173.7-175.60000112N850 Q851 W856 S857 I858N850-S854 WeakPolarHBondContact O-CB 3.46Å; N850-S854 PolarHBondContact O-N 2.97Å; N850-S854 VanDerWaalsContact O-N 3.11Å; Q851-S854 PolarHBondContact O-N 2.84Å; S854-W856 PolarHBondContact O-N 3.07Å; S854-S857 WeakPolarHBondContact O-CB 3.39Å; S854-S857 PolarHBondContact O-N 2.92Å; S854-I858 WeakPolarHBondContact O-CG1 3.41Å; S854-I858 PolarHBondContact O-N 2.98Å; S854-I858 VanDerWaalsContact O-N 3.13Å
855N83Confident81Confident72 Ų7296.1 Ų96.139%0.38548%0.481SS..Hα-helixtrans-62.4-40.7177.5-71.1-17000112Q851 I852 S857 I858 I859Q851-N855 WeakPolarHBondContact O-CB 3.39Å; Q851-N855 PolarHBondContact O-N 3.43Å; Q851-N855 PolarHBondContact O-ND2 2.88Å; I852-N855 PolarHBondContact O-N 3.39Å; N855-S857 VanDerWaalsContact C-N 3.34Å; N855-S857 PolarHBondContact O-N 3.28Å; N855-I858 PolarHBondContact O-N 2.9Å; N855-I859 VanDerWaalsContact O-CG1 3.3Å; N855-I859 WeakPolarHBondContact O-CG1 3.29Å; N855-I859 PolarHBondContact O-N 3.02Å
856W75.5Confident80.8Confident168 Ų16895.4 Ų95.464%0.63648%0.484SS*.Hα-helixtrans-61.7-41.2175.4-179.5-102.2000112I852 E853 S854 I858 I859 N860I852-W856 WeakPolarHBondContact O-CB 3.34Å; I852-W856 PolarHBondContact O-N 3.12Å; E853-W856 PolarHBondContact O-N 3.47Å; S854-W856 PolarHBondContact O-N 3.07Å; W856-I858 VanDerWaalsContact C-N 3.34Å; W856-I858 PolarHBondContact O-N 2.92Å; W856-I859 PolarHBondContact O-N 3.31Å; W856-N860 VanDerWaalsContact O-CB 3.27Å; W856-N860 WeakPolarHBondContact O-CB 3.42Å; W856-N860 PolarHBondContact O-N 3.36Å
857S80.8Confident80.4Confident79 Ų7996.1 Ų96.155%0.55249%0.488SS*.Hα-helixtrans-60.5-42.1175.2-162.90000112.2E853 S854 N855 R861E853-S857 PolarHBondContact O-N 2.85Å; S854-S857 WeakPolarHBondContact O-CB 3.39Å; S854-S857 PolarHBondContact O-N 2.92Å; N855-S857 VanDerWaalsContact C-N 3.34Å; N855-S857 PolarHBondContact O-N 3.28Å; S857-R861 WeakPolarHBondContact O-CB 3.4Å; S857-R861 PolarHBondContact O-N 2.71Å; S857-R861 VanDerWaalsContact O-N 3.14Å
858I80.1Confident80.1Confident88 Ų8894.5 Ų94.545%0.45148%0.479SS..Hα-helixtrans-66.2-47.5176.8-64.3165.9000110.8S854 N855 W856 N860 R861 A862S854-I858 WeakPolarHBondContact O-CG1 3.41Å; S854-I858 PolarHBondContact O-N 2.98Å; S854-I858 VanDerWaalsContact O-N 3.13Å; N855-I858 PolarHBondContact O-N 2.9Å; W856-I858 VanDerWaalsContact C-N 3.34Å; W856-I858 PolarHBondContact O-N 2.92Å; I858-N860 PolarHBondContact O-N 3.24Å; I858-R861 PolarHBondContact O-N 2.71Å; I858-R861 VanDerWaalsContact O-N 3.16Å; I858-A862 PolarHBondContact O-N 3.27Å
859I79.7Confident79.8Confident96 Ų9693.4 Ų93.449%0.49248%0.483SS..Hα-helixtrans-60.7-45.9178.6-69.5165.4000111N855 W856 R861 A862 M863N855-I859 VanDerWaalsContact O-CG1 3.3Å; N855-I859 WeakPolarHBondContact O-CG1 3.29Å; N855-I859 PolarHBondContact O-N 3.02Å; W856-I859 PolarHBondContact O-N 3.31Å; I859-R861 PolarHBondContact O-N 3.46Å; I859-A862 PolarHBondContact O-N 2.85Å; I859-M863 WeakPolarHBondContact O-CB 3.2Å; I859-M863 PolarHBondContact O-N 2.89Å
860N82.5Confident79.4Confident70 Ų7094 Ų9437%0.37449%0.486SS..Hα-helixtrans-63.1-29.6178.2-173.358000112.5W856 I858 Q864W856-N860 VanDerWaalsContact O-CB 3.27Å; W856-N860 WeakPolarHBondContact O-CB 3.42Å; W856-N860 PolarHBondContact O-N 3.36Å; I858-N860 PolarHBondContact O-N 3.24Å; N860-Q864 PolarHBondContact ND2-NE2 2.72Å; N860-Q864 WeakPolarHBondContact O-CG 3.3Å; N860-Q864 PolarHBondContact O-N 2.59Å; N860-Q864 PolarHBondContact O-NE2 3.33Å
861R76.9Confident79.2Confident154 Ų15496.6 Ų96.658%0.58150%0.496SS*.Hα-helixtrans-78.9-38174.4-171174.3-178.3156.7-1.5112.7S857 I858 I859 M863 Q864 Y865S857-R861 WeakPolarHBondContact O-CB 3.4Å; S857-R861 PolarHBondContact O-N 2.71Å; S857-R861 VanDerWaalsContact O-N 3.14Å; I858-R861 PolarHBondContact O-N 2.71Å; I858-R861 VanDerWaalsContact O-N 3.16Å; I859-R861 PolarHBondContact O-N 3.46Å; R861-M863 VanDerWaalsContact C-N 3.31Å; R861-Q864 PolarHBondContact O-N 3.38Å; R861-Y865 HydrophobicContact CG-CD2 4.39Å; R861-Y865 HydrophobicContact CG-CE2 3.76Å; R861-Y865 PolarHBondContact NE-OH 2.81Å; R861-Y865 PolarHBondContact NH2-OH 2.82Å; R861-Y865 VanDerWaalsContact NH2-OH 3.14Å; R861-Y865 VanDerWaalsContact O-CD2 3.23Å; R861-Y865 WeakPolarHBondContact O-CD2 3.21Å; R861-Y865 PolarHBondContact O-N 3.28Å
862A76Confident79Confident49 Ų4993.2 Ų93.241%0.40548%0.481SS..Hα-helixtrans-61.7-41.4172.600000111.2I858 I859 Q864 Y865 C866I858-A862 PolarHBondContact O-N 3.27Å; I859-A862 PolarHBondContact O-N 2.85Å; A862-Q864 PolarHBondContact O-N 3.34Å; A862-Y865 PolarHBondContact O-N 3.17Å; A862-Y865 VanDerWaalsContact O-N 3.1Å; A862-C866 PolarHBondContact O-N 2.78Å; A862-C866 PolarHBondContact O-SG 2.91Å; A862-C866 VanDerWaalsContact O-SG 3.39Å
863M74.2Confident78.5Confident86 Ų8690.5 Ų90.542%0.42447%0.472SS..Hα-helixtrans-55.3-47.1176.1-166.2-176.1-52.500112.4I859 R861 Y865 C866 E867I859-M863 WeakPolarHBondContact O-CB 3.2Å; I859-M863 PolarHBondContact O-N 2.89Å; R861-M863 VanDerWaalsContact C-N 3.31Å; M863-Y865 VanDerWaalsContact C-N 3.28Å; M863-Y865 PolarHBondContact O-N 3.35Å; M863-C866 WeakPolarHBondContact O-CA 3.26Å; M863-C866 WeakPolarHBondContact O-CB 3.4Å; M863-C866 PolarHBondContact O-N 2.94Å; M863-E867 WeakPolarHBondContact O-CG 3.46Å; M863-E867 PolarHBondContact O-N 3.35Å
864Q80.3Confident78.4Confident102 Ų10288.8 Ų88.848%0.47747%0.467SS..Hα-helixtrans-61.6-33.1176.9-71.3161.951.100113.1N860 R861 A862 A868N860-Q864 PolarHBondContact ND2-NE2 2.72Å; N860-Q864 WeakPolarHBondContact O-CG 3.3Å; N860-Q864 PolarHBondContact O-N 2.59Å; N860-Q864 PolarHBondContact O-NE2 3.33Å; R861-Q864 PolarHBondContact O-N 3.38Å; A862-Q864 PolarHBondContact O-N 3.34Å; Q864-A868 PolarHBondContact O-N 3.42Å; Q864-A868 VanDerWaalsContact O-N 3.15Å
865Y73.4Confident78.1Confident119 Ų11989 Ų8947%0.46747%0.468SS..Hα-helixtrans-74.3-33.2173.5-65.3-51.8000112.3R861 A862 M863 A869R861-Y865 HydrophobicContact CG-CD2 4.39Å; R861-Y865 HydrophobicContact CG-CE2 3.76Å; R861-Y865 PolarHBondContact NE-OH 2.81Å; R861-Y865 PolarHBondContact NH2-OH 2.82Å; R861-Y865 VanDerWaalsContact NH2-OH 3.14Å; R861-Y865 VanDerWaalsContact O-CD2 3.23Å; R861-Y865 WeakPolarHBondContact O-CD2 3.21Å; R861-Y865 PolarHBondContact O-N 3.28Å; A862-Y865 PolarHBondContact O-N 3.17Å; A862-Y865 VanDerWaalsContact O-N 3.1Å; M863-Y865 VanDerWaalsContact C-N 3.28Å; M863-Y865 PolarHBondContact O-N 3.35Å; Y865-A869 WeakPolarHBondContact O-CB 3.45Å; Y865-A869 PolarHBondContact O-N 3Å
866C79.2Confident77.8Confident79 Ų7987.4 Ų87.453%0.53446%0.459SS..Hα-helixtrans-66.3-41.8171.9-64.60000112.1A862 M863 A869 L870A862-C866 PolarHBondContact O-N 2.78Å; A862-C866 PolarHBondContact O-SG 2.91Å; A862-C866 VanDerWaalsContact O-SG 3.39Å; M863-C866 WeakPolarHBondContact O-CA 3.26Å; M863-C866 WeakPolarHBondContact O-CB 3.4Å; M863-C866 PolarHBondContact O-N 2.94Å; C866-A869 PolarHBondContact O-N 3.21Å; C866-L870 WeakPolarHBondContact O-CG 3Å; C866-L870 PolarHBondContact O-N 3Å
867E78.1Confident78Confident119 Ų11983.9 Ų83.956%0.55645%0.453SS*.Hα-helixtrans-59.9-48.2174.4-70.6175.915100111.2M863 A869 L870 E871M863-E867 WeakPolarHBondContact O-CG 3.46Å; M863-E867 PolarHBondContact O-N 3.35Å; E867-A869 VanDerWaalsContact C-N 3.31Å; E867-A869 PolarHBondContact O-N 2.97Å; E867-L870 PolarHBondContact O-N 3.21Å; E867-E871 PolarHBondContact O-N 3.17Å
868A77.7Confident78Confident34 Ų3486.2 Ų86.228%0.28146%0.455SS..Hα-helixtrans-63.1-34.717600000113.1Q864 V872Q864-A868 PolarHBondContact O-N 3.42Å; Q864-A868 VanDerWaalsContact O-N 3.15Å; A868-V872 WeakPolarHBondContact O-CG2 3.21Å; A868-V872 PolarHBondContact O-N 3.01Å; A868-V872 VanDerWaalsContact O-N 3.13Å
869A76.7Confident77.8Confident53 Ų5383.2 Ų83.244%0.43844%0.44SS..Hα-helixtrans-69.1-36.4175.300000112.5Y865 C866 E867 S873Y865-A869 WeakPolarHBondContact O-CB 3.45Å; Y865-A869 PolarHBondContact O-N 3Å; C866-A869 PolarHBondContact O-N 3.21Å; E867-A869 VanDerWaalsContact C-N 3.31Å; E867-A869 PolarHBondContact O-N 2.97Å; A869-S873 WeakPolarHBondContact O-CB 3.43Å; A869-S873 PolarHBondContact O-N 3.34Å
870L76.5Confident77.6Confident113 Ų11385 Ų8559%0.59244%0.441SS*.Hα-helixtrans-66.7-44.1173.3-72.1169.3000111.5C866 E867 V872 S873 D874C866-L870 WeakPolarHBondContact O-CG 3Å; C866-L870 PolarHBondContact O-N 3Å; E867-L870 PolarHBondContact O-N 3.21Å; L870-V872 VanDerWaalsContact C-N 3.32Å; L870-V872 PolarHBondContact O-N 3.16Å; L870-S873 WeakPolarHBondContact O-CB 3.36Å; L870-S873 PolarHBondContact O-N 3.12Å; L870-S873 VanDerWaalsContact O-N 3.1Å; L870-D874 PolarHBondContact O-N 2.89Å
871E79.1Confident77.3Confident139 Ų13984.7 Ų84.765%0.6544%0.444SS*.Hα-helixtrans-58-43175.5-173.6179-162.600111.9E867 D874 C875E867-E871 PolarHBondContact O-N 3.17Å; E871-D874 PolarHBondContact O-N 3.32Å; E871-C875 WeakPolarHBondContact O-CB 3.48Å; E871-C875 PolarHBondContact O-N 3.42Å; E871-C875 PolarHBondContact O-SG 3.22Å
872V79.5Confident77.3Confident22 Ų2279.9 Ų79.913%0.13343%0.432CS..Hα-helixtrans-66.6-38.3174.9171.80000112A868 L870 C875 L876 V1000 A1004 I1007A868-V872 WeakPolarHBondContact O-CG2 3.21Å; A868-V872 PolarHBondContact O-N 3.01Å; A868-V872 VanDerWaalsContact O-N 3.13Å; L870-V872 VanDerWaalsContact C-N 3.32Å; L870-V872 PolarHBondContact O-N 3.16Å; V872-C875 PolarHBondContact O-N 3.11Å; V872-L876 HydrophobicContact CG1-CD1 4.19Å; V872-L876 WeakPolarHBondContact O-CG 3.29Å; V872-L876 PolarHBondContact O-N 3.21Å; V872-V1000 HydrophobicContact CG1-CG1 4.11Å; V872-A1004 HydrophobicContact CG1-CB 4.03Å; V872-I1007 HydrophobicContact CG2-CD1 4.33Å
873S74.1Confident77.3Confident51 Ų5178.8 Ų78.836%0.35742%0.419SS..Hα-helixtrans-62.1-45174.5176.80000111.9A869 L870 L876 N877A869-S873 WeakPolarHBondContact O-CB 3.43Å; A869-S873 PolarHBondContact O-N 3.34Å; L870-S873 WeakPolarHBondContact O-CB 3.36Å; L870-S873 PolarHBondContact O-N 3.12Å; L870-S873 VanDerWaalsContact O-N 3.1Å; S873-L876 PolarHBondContact O-N 2.93Å; S873-N877 PolarHBondContact O-N 2.91Å
874D80.3Confident77.2Confident105 Ų10578.9 Ų78.956%0.56142%0.421SS*.Hα-helixtrans-68.1-37.6178.1-76.5-15.6000112L870 E871 L876 N877 Q878L870-D874 PolarHBondContact O-N 2.89Å; E871-D874 PolarHBondContact O-N 3.32Å; D874-L876 VanDerWaalsContact C-N 3.34Å; D874-L876 PolarHBondContact O-N 3.35Å; D874-N877 PolarHBondContact O-N 2.79Å; D874-Q878 WeakPolarHBondContact O-CB 3.35Å; D874-Q878 PolarHBondContact O-N 3Å
875C76.9Confident77.1Confident71 Ų7176.9 Ų76.948%0.4842%0.421SS..Hα-helixtrans-58.5-42.4169.1-80.40000112.6E871 V872 L879E871-C875 WeakPolarHBondContact O-CB 3.48Å; E871-C875 PolarHBondContact O-N 3.42Å; E871-C875 PolarHBondContact O-SG 3.22Å; V872-C875 PolarHBondContact O-N 3.11Å; C875-L879 VanDerWaalsContact O-CB 3.27Å; C875-L879 WeakPolarHBondContact O-CB 3.36Å; C875-L879 PolarHBondContact O-N 2.69Å
876L77Confident77Confident39 Ų3974.2 Ų74.220%0.20442%0.417CS..Hα-helixtrans-68.8-39.3176.7-75.3168.4000112.7V872 S873 D874 L879 Y880 V1000 E1001V872-L876 HydrophobicContact CG1-CD1 4.19Å; V872-L876 WeakPolarHBondContact O-CG 3.29Å; V872-L876 PolarHBondContact O-N 3.21Å; S873-L876 PolarHBondContact O-N 2.93Å; D874-L876 VanDerWaalsContact C-N 3.34Å; D874-L876 PolarHBondContact O-N 3.35Å; L876-L879 PolarHBondContact O-N 3.06Å; L876-Y880 WeakPolarHBondContact O-CB 2.81Å; L876-Y880 PolarHBondContact O-N 3.15Å; L876-V1000 HydrophobicContact CD1-CG1 4.41Å; L876-V1000 HydrophobicContact CD2-CB 4.29Å; L876-V1000 HydrophobicContact CD2-CG1 3.75Å; L876-V1000 HydrophobicContact CG-CG1 3.84Å; L876-E1001 HydrophobicContact CD2-CG 4.39Å
877N78.9Confident76.8Confident93 Ų9373.7 Ų73.750%0.49741%0.412SS..Hα-helixtrans-64.1-43.9174.6-84.9-28.9000112S873 D874 Y880 S881S873-N877 PolarHBondContact O-N 2.91Å; D874-N877 PolarHBondContact O-N 2.79Å; N877-Y880 PolarHBondContact O-N 3.12Å; N877-S881 WeakPolarHBondContact O-CB 3.35Å; N877-S881 PolarHBondContact O-N 3.46Å; N877-S881 PolarHBondContact O-OG 3.14Å
878Q80.5Confident76.5Confident129 Ų12972.7 Ų72.760%0.60341%0.409SS*.Hα-helixtrans-64.4-43.1175.4-175.564.21.600110.8D874 S881 T882D874-Q878 WeakPolarHBondContact O-CB 3.35Å; D874-Q878 PolarHBondContact O-N 3Å; Q878-S881 WeakPolarHBondContact O-CB 3.32Å; Q878-S881 PolarHBondContact O-N 3.05Å; Q878-T882 WeakPolarHBondContact O-CG2 3.36Å; Q878-T882 PolarHBondContact O-N 3.21Å
879L75.7Confident76.1Confident24 Ų2477.1 Ų77.113%0.12642%0.422CS..Hα-helixtrans-62.1-45.8176.9-164.472.5000111.6C875 L876 S881 T882 E883 L993 L996 R997C875-L879 VanDerWaalsContact O-CB 3.27Å; C875-L879 WeakPolarHBondContact O-CB 3.36Å; C875-L879 PolarHBondContact O-N 2.69Å; L876-L879 PolarHBondContact O-N 3.06Å; L879-S881 VanDerWaalsContact C-N 3.35Å; L879-S881 PolarHBondContact O-N 2.9Å; L879-T882 PolarHBondContact O-N 3.44Å; L879-T882 PolarHBondContact O-OG1 2.89Å; L879-E883 PolarHBondContact O-N 3.43Å; L879-L993 HydrophobicContact CD1-CD2 3.59Å; L879-L993 HydrophobicContact CD1-CG 4.11Å; L879-L993 HydrophobicContact CD2-CD2 4.36Å; L879-L993 HydrophobicContact CG-CD2 3.73Å; L879-L996 HydrophobicContact CD1-CD2 4.36Å; L879-R997 HydrophobicContact CD2-CB 3.7Å
880Y75.4Confident75.7Confident133 Ų13382.4 Ų82.452%0.52243%0.431SS..Hα-helixtrans-60.8-41.8175.4-174.7-106.7000112.3L876 N877 T882 E883 L884L876-Y880 WeakPolarHBondContact O-CB 2.81Å; L876-Y880 PolarHBondContact O-N 3.15Å; N877-Y880 PolarHBondContact O-N 3.12Å; Y880-T882 VanDerWaalsContact C-N 3.32Å; Y880-T882 PolarHBondContact O-N 2.92Å; Y880-E883 PolarHBondContact O-N 3.43Å; Y880-L884 WeakPolarHBondContact O-CB 3.25Å; Y880-L884 PolarHBondContact O-N 3.41Å
881S76.1Confident75Confident64 Ų6482.9 Ų82.945%0.44843%0.43SS..Hα-helixtrans-60.8-39.8175.2-59.50000112N877 Q878 L879 A885N877-S881 WeakPolarHBondContact O-CB 3.35Å; N877-S881 PolarHBondContact O-N 3.46Å; N877-S881 PolarHBondContact O-OG 3.14Å; Q878-S881 WeakPolarHBondContact O-CB 3.32Å; Q878-S881 PolarHBondContact O-N 3.05Å; L879-S881 VanDerWaalsContact C-N 3.35Å; L879-S881 PolarHBondContact O-N 2.9Å; S881-A885 WeakPolarHBondContact O-CB 3.28Å; S881-A885 PolarHBondContact O-N 2.79Å
882T78.2Confident73.9Confident53 Ų5379 Ų7933%0.32542%0.418SS..Hα-helixtrans-70.4-38.417464.30000113.3Q878 L879 Y880 A885 V886Q878-T882 WeakPolarHBondContact O-CG2 3.36Å; Q878-T882 PolarHBondContact O-N 3.21Å; L879-T882 PolarHBondContact O-N 3.44Å; L879-T882 PolarHBondContact O-OG1 2.89Å; Y880-T882 VanDerWaalsContact C-N 3.32Å; Y880-T882 PolarHBondContact O-N 2.92Å; T882-A885 PolarHBondContact O-N 2.94Å; T882-V886 WeakPolarHBondContact O-CB 3.44Å; T882-V886 WeakPolarHBondContact O-CG2 3.41Å; T882-V886 PolarHBondContact O-N 3.31Å
883E74.9Confident72.5Confident26 Ų2683 Ų8312%0.12144%0.436CS..Hα-helixtrans-63.9-41.6175.7-175.3168.2-162.300111.2L879 Y880 T887 L990 L993 K994 R997L879-E883 PolarHBondContact O-N 3.43Å; Y880-E883 PolarHBondContact O-N 3.43Å; E883-T887 WeakPolarHBondContact O-CB 3.3Å; E883-T887 PolarHBondContact O-N 3.13Å; E883-T887 PolarHBondContact O-OG1 3.16Å; E883-L990 HydrophobicContact CG-CD1 4.12Å; E883-L993 HydrophobicContact CB-CD2 4.26Å; E883-K994 WeakPolarHBondContact OE1-CE 3.29Å; E883-K994 IonicContact OE1-NZ 3.61Å; E883-R997 IonicContact OE2-NE 3.62Å
884L73.8Confident71.2Confident89 Ų8986.5 Ų86.547%0.46645%0.45SS..Hα-helixtrans-63.3-46.9174.5-177.960.3000111.7Y880 V886 T887 I888Y880-L884 WeakPolarHBondContact O-CB 3.25Å; Y880-L884 PolarHBondContact O-N 3.41Å; L884-V886 PolarHBondContact O-N 2.9Å; L884-T887 PolarHBondContact O-N 3.17Å; L884-I888 HydrophobicContact CD1-CD1 4.01Å; L884-I888 HydrophobicContact CD1-CG1 4.31Å; L884-I888 HydrophobicContact CG-CD1 3.92Å; L884-I888 WeakPolarHBondContact O-CG1 3.3Å; L884-I888 PolarHBondContact O-N 3.27Å
885A76.3Confident69.5Low59 Ų5987.3 Ų87.349%0.48845%0.454SS..Hα-helixtrans-60.6-43.6177.700000112.6S881 T882 T887 I888 F889S881-A885 WeakPolarHBondContact O-CB 3.28Å; S881-A885 PolarHBondContact O-N 2.79Å; T882-A885 PolarHBondContact O-N 2.94Å; A885-T887 VanDerWaalsContact C-N 3.32Å; A885-T887 PolarHBondContact O-N 3.42Å; A885-I888 PolarHBondContact O-N 2.98Å; A885-F889 WeakPolarHBondContact O-CB 3.2Å; A885-F889 PolarHBondContact O-N 3.42Å
886V72.7Confident67.9Low63 Ų6391.3 Ų91.338%0.38247%0.466SS..Hα-helixtrans-65.4-35.4175.5170.10000111.7T882 L884 F889 R890T882-V886 WeakPolarHBondContact O-CB 3.44Å; T882-V886 WeakPolarHBondContact O-CG2 3.41Å; T882-V886 PolarHBondContact O-N 3.31Å; L884-V886 PolarHBondContact O-N 2.9Å; V886-F889 PolarHBondContact O-N 3.48Å; V886-R890 PolarHBondContact O-N 2.9Å
887T73.6Confident66Low68 Ų6897.1 Ų97.142%0.41749%0.494SS..Hα-helixtrans-68.9-45.9177.4-58.30000111.4E883 L884 A885 F889 R890 Q891E883-T887 WeakPolarHBondContact O-CB 3.3Å; E883-T887 PolarHBondContact O-N 3.13Å; E883-T887 PolarHBondContact O-OG1 3.16Å; L884-T887 PolarHBondContact O-N 3.17Å; A885-T887 VanDerWaalsContact C-N 3.32Å; A885-T887 PolarHBondContact O-N 3.42Å; T887-F889 VanDerWaalsContact C-N 3.31Å; T887-F889 PolarHBondContact O-N 3.36Å; T887-R890 PolarHBondContact O-N 3.04Å; T887-Q891 PolarHBondContact O-N 3.41Å
888I72.4Confident63.9Low98 Ų98100.4 Ų100.450%0.50351%0.511SS..Hα-helixtrans-60.7-40.9174.1-67.7168000110.8L884 A885 R890 Q891 S892L884-I888 HydrophobicContact CD1-CD1 4.01Å; L884-I888 HydrophobicContact CD1-CG1 4.31Å; L884-I888 HydrophobicContact CG-CD1 3.92Å; L884-I888 WeakPolarHBondContact O-CG1 3.3Å; L884-I888 PolarHBondContact O-N 3.27Å; A885-I888 PolarHBondContact O-N 2.98Å; I888-R890 PolarHBondContact O-N 2.87Å; I888-Q891 PolarHBondContact O-N 3.19Å; I888-Q891 VanDerWaalsContact O-N 3.14Å; I888-S892 PolarHBondContact O-N 3.41Å
889F69.7Low61.6Low127 Ų127103 Ų10356%0.55752%0.52SS*.Hα-helixtrans-63.8-38.4176-174.8-97000112.9A885 V886 T887 Q891 S892 Q893A885-F889 WeakPolarHBondContact O-CB 3.2Å; A885-F889 PolarHBondContact O-N 3.42Å; V886-F889 PolarHBondContact O-N 3.48Å; T887-F889 VanDerWaalsContact C-N 3.31Å; T887-F889 PolarHBondContact O-N 3.36Å; F889-Q891 VanDerWaalsContact C-N 3.34Å; F889-S892 PolarHBondContact O-OG 3.45Å; F889-S892 VanDerWaalsContact O-OG 3.06Å; F889-Q893 HydrophobicContact CD1-CG 4.33Å; F889-Q893 HydrophobicContact CE1-CG 4.13Å; F889-Q893 WeakPolarHBondContact O-CG 3.42Å; F889-Q893 PolarHBondContact O-N 2.89Å; F889-Q893 VanDerWaalsContact O-N 3.12Å
890R67.2Low59.6Low165 Ų165110.3 Ų110.362%0.62355%0.554SS**Hα-helixtrans-66.4-35.6170.8-80.1-170.8172.9-129.8-0.1112.6V886 T887 I888 Q893 N894V886-R890 PolarHBondContact O-N 2.9Å; T887-R890 PolarHBondContact O-N 3.04Å; I888-R890 PolarHBondContact O-N 2.87Å; R890-Q893 PolarHBondContact O-N 3.49Å; R890-N894 PolarHBondContact O-N 3.09Å
891Q63.5Low57.8Low122 Ų122108.6 Ų108.657%0.5756%0.559SS**Hα-helixtrans-71.3-36.6179.4-162.9166.14.100112T887 I888 F889 N895T887-Q891 PolarHBondContact O-N 3.41Å; I888-Q891 PolarHBondContact O-N 3.19Å; I888-Q891 VanDerWaalsContact O-N 3.14Å; F889-Q891 VanDerWaalsContact C-N 3.34Å; Q891-N895 VanDerWaalsContact O-CG 3.27Å; Q891-N895 PolarHBondContact O-N 2.98Å; Q891-N895 VanDerWaalsContact O-N 3.15Å; Q891-N895 PolarHBondContact O-ND2 3.31Å
892S54.8Low55.5Low57 Ų57114.6 Ų114.640%0.39958%0.577SS.*Hα-helixtrans-70.4-33.8173.568.80000113.1I888 F889I888-S892 PolarHBondContact O-N 3.41Å; F889-S892 PolarHBondContact O-OG 3.45Å; F889-S892 VanDerWaalsContact O-OG 3.06Å
893Q50.1Low53.1Low108 Ų108116.2 Ų116.251%0.50559%0.591SS.*Hα-helixtrans-60.9-51.8170.2-71.4-90.5-9.600111.5F889 R890 N895 Q896F889-Q893 HydrophobicContact CD1-CG 4.33Å; F889-Q893 HydrophobicContact CE1-CG 4.13Å; F889-Q893 WeakPolarHBondContact O-CG 3.42Å; F889-Q893 PolarHBondContact O-N 2.89Å; F889-Q893 VanDerWaalsContact O-N 3.12Å; R890-Q893 PolarHBondContact O-N 3.49Å; Q893-N895 VanDerWaalsContact C-N 3.26Å; Q893-N895 PolarHBondContact O-N 2.9Å; Q893-Q896 PolarHBondContact O-N 3.38Å; Q893-Q896 VanDerWaalsContact O-N 3.11Å
894N47.7Very low50.9Low123 Ų123120.8 Ų120.866%0.65862%0.621SS**Hα-helixtrans-60.2-34.8179.6-78.3-7.9000112.8R890 Q896 M897R890-N894 PolarHBondContact O-N 3.09Å; N894-Q896 PolarHBondContact O-N 2.93Å; N894-M897 PolarHBondContact O-N 3.19Å
895N44.5Very low48.8Very low122 Ų122123.6 Ų123.665%0.65263%0.634SS**THydrogen-bonded Turntrans-68-10.6178.6-75.2-10.7000114.4Q891 Q893Q891-N895 VanDerWaalsContact O-CG 3.27Å; Q891-N895 PolarHBondContact O-N 2.98Å; Q891-N895 VanDerWaalsContact O-N 3.15Å; Q891-N895 PolarHBondContact O-ND2 3.31Å; Q893-N895 VanDerWaalsContact C-N 3.26Å; Q893-N895 PolarHBondContact O-N 2.9Å
896Q42.1Very low46.6Very low155 Ų155125.8 Ų125.872%0.72465%0.646SS**THydrogen-bonded Turntrans-84.1-10.7175.3-62.4-165.52000114.1Q893 N894Q893-Q896 PolarHBondContact O-N 3.38Å; Q893-Q896 VanDerWaalsContact O-N 3.11Å; N894-Q896 PolarHBondContact O-N 2.93Å
897M37.2Very low44.6Very low162 Ų162127.7 Ų127.780%0.79866%0.662SS**SBendtrans-90.91.3-175.5-79-93.562.400115.4N894N894-M897 PolarHBondContact O-N 3.19Å
898L34.8Very low42.5Very low162 Ų162130.3 Ų130.385%0.84868%0.683SS**  trans-129.277.1-178.6-15175.8000113.2
899K34Very low40.5Very low182 Ų182132 Ų13279%0.79170%0.698SS**  trans-82.3110.8165.9-73.9-177.7178177.60110.2
900H33.1Very low38.5Very low179 Ų179131.4 Ų131.483%0.82971%0.71SS**  172.2157127.6-87.9-61.1000109.8
901P37.2Very low36.7Very low97 Ų97128.7 Ų128.763%0.6372%0.717SS**  trans-117.7-179-147.132.8-16.2000116
902F27.8Very low35.1Very low189 Ų189127.8 Ų127.883%0.82972%0.724SS**  trans90.6101.4164.3-67-66.3000119.8
903S28.1Very low34Very low88 Ų88130 Ų13062%0.61574%0.739SS**  115.8120.9110.5-70.90000120.8
904T29Very low32.9Very low122 Ų122133.9 Ų133.975%0.74876%0.755SS**  trans76.9135.1133.350.90000123.7
905I29.6Very low32Very low147 Ų147137.1 Ų137.175%0.75477%0.765SS**  trans88.896.6139.6-71.8162.3000119.1
906S29.3Very low31.3Very low105 Ų105134.8 Ų134.873%0.73477%0.77SS**  78.8134.2124.4-570000123.7
907S30.4Very low30.6Very low104 Ų104136.1 Ų136.173%0.72778%0.776SS**  trans-38.2152.5156.152.30000117.9
908S30.5Very low30.2Very low122 Ų122133.3 Ų133.385%0.85377%0.772SS**  -166.3153.5116.6-78.70000112.4
909T29.6Very low30Very low134 Ų134134.4 Ų134.482%0.82277%0.77SS**  trans-99.8151172.345.40000111.1
910S28.5Very low30.1Very low115 Ų115131.5 Ų131.580%0.80477%0.77SS**  trans-175.1114.1153.6-85.50000115.1
911S28.6Very low30.1Very low108 Ų108127.8 Ų127.876%0.75576%0.764SS**  50105.8121.2-46.90000123.4
912S30.6Very low29.9Very low103 Ų103131.5 Ų131.572%0.7277%0.773SS**  55.3111.7120.968.40000124.1
913S31.8Very low29.9Very low102 Ų102129.2 Ų129.271%0.71377%0.769SS**  64.9121.2125.865.10000125
914F27.6Very low30Very low191 Ų191135.1 Ų135.184%0.83878%0.777SS**  trans55.6108.6137.5-81-82.6000122.6
915H28.9Very low30.2Very low191 Ų191136.2 Ų136.288%0.88477%0.774SS**  -176.7161.9110.8-106.179.2000113.5
916G27.8Very low30.2Very low73 Ų73137.7 Ų137.775%0.75378%0.777SS**  trans127120.8159.500000116.4
917H27.7Very low30.5Very low182 Ų182138.5 Ų138.584%0.84378%0.78SS**  trans-114.7154.9-178.9-77.1-91.5000114
918S28.6Very low30.2Very low103 Ų103139.5 Ų139.572%0.7278%0.777SS**  trans73160.115279.40000116.8
919K31.3Very low30.2Very low185 Ų185141.9 Ų141.980%0.80477%0.772SS**  cis-147.8-178.515.1-56.8171.2-178.6170.30109.2
920P35.3Very low30.2Very low122 Ų122142.4 Ų142.479%0.79276%0.762SS**  cis-104.1-157.9-29.233.4-15.5000108.3
921S34.8Very low30.2Very low101 Ų101147.2 Ų147.271%0.70677%0.765SS**  cis-145.5166.8-1.1-30.90000106.6
922Q32.9Very low30Very low175 Ų175148.9 Ų148.982%0.81876%0.76SS**  cis69.7127.221.8-70.3-149.915.100117.7
923L27.3Very low30Very low140 Ų140150.7 Ų150.773%0.73376%0.762SS**  cis-167.9117.1-14.3-160170000109.4
924R30.4Very low30.2Very low212 Ų212150.4 Ų150.480%0.876%0.76SS**  trans-174148.5149.8-112171.1-174.2-146.22.5115.7
925H33.4Very low30Very low146 Ų146148.5 Ų148.568%0.67675%0.754SS**  trans54.692.5158.6-56.7-54.6000120.5
926Q28.3Very low29.8Very low177 Ų177148 Ų14883%0.82775%0.752SS**  -59151.2121.3-72.9-17116.500109
927P35.8Very low29.9Very low122 Ų122151.2 Ų151.279%0.79275%0.751SS**  cis-143.9-172.847.542.6-22.9000117.6
928L25.7Very low29.9Very low125 Ų125147.8 Ų147.865%0.65475%0.747SS**  trans-43.8135.1178.5-92.654.5000117.5
929K30Very low30Very low173 Ų173148.2 Ų148.275%0.75275%0.745SS**  77.9132.4129-69.6171.4-176170.70120.9
930K29.3Very low29.8Very low144 Ų144144.8 Ų144.863%0.62674%0.74SS**  trans77.2111.3147.3-75.3-173.3175.9-161.90119.8
931Y28.3Very low29.5Very low217 Ų217145 Ų14585%0.85174%0.739SS**  -68.2124.1103.6-97.2-96.6000106.9
932E25.1Very low29Very low142 Ų142145.5 Ų145.566%0.66474%0.743SS**  61.1101.960.8-57.2-163.4145.200109.2
933N30.6Very low29.4Very low141 Ų141141.9 Ų141.975%0.75473%0.734SS**  cis-107.4167.944.6-87-63.3000118.9
934S35.8Very low29.3Very low97 Ų97145.3 Ų145.368%0.67874%0.739SS**  trans-5.9128.4149-430000116
935Q22.5Very low29.1Very low151 Ų151142.8 Ų142.871%0.70674%0.736SS**  cis63143.539-46.9-170.124.300114.1
936Q25Very low28.7Very low179 Ų179142.1 Ų142.184%0.83674%0.737SS**  trans65.4132.3176.6-73.2178.3-11.500113.9
937I28.9Very low28.5Very low142 Ų142143.4 Ų143.473%0.72874%0.735SS**  cis-146.8133.410-97.1140.4000108.9
938S29.1Very low28.2Very low109 Ų109142.1 Ų142.176%0.76273%0.729SS**  trans62.9167.2155.8-68.30000118.2
939V29.3Very low28.3Very low113 Ų113141.7 Ų141.769%0.68574%0.737SS**  cis-159.9145.6-20.8125.40000109.7
940T28.3Very low28.3Very low113 Ų113142.1 Ų142.169%0.69375%0.745SS**  trans53.7131.3159.757.30000124.5
941T29.5Very low28.3Very low125 Ų125138.7 Ų138.777%0.76775%0.751SS**  trans63.4119131.661.80000124.4
942S24.4Very low28.4Very low113 Ų113133.7 Ų133.779%0.7975%0.747SS**  72.4179.9128.3-131.30000117.9
943P40.3Very low28.7Very low98 Ų98131.6 Ų131.664%0.63675%0.749SS**  -128.9-175.1-102.738.8-19.8000116.5
944Y26.2Very low28.8Very low213 Ų213132.8 Ų132.884%0.83575%0.749SS**  trans96.4125169.8-72.1-83.2000120.4
945Q26Very low28.5Very low159 Ų159135.8 Ų135.874%0.74375%0.753SS**  trans46.2132.8144.9-77-168.82.500125.3
946L24.4Very low28.8Very low132 Ų132136.3 Ų136.369%0.69176%0.755SS**  trans62.6114.9133.7-65.1174.8000122.7
947Y25.1Very low29.1Very low204 Ų204134.1 Ų134.180%0.875%0.749SS**  trans66.3111.2130-90-120.9000122.1
948S27.4Very low29.2Very low95 Ų95134 Ų13466%0.66475%0.749SS**  92.6151.5120.1-67.20000124.1
949S28.6Very low29Very low116 Ų116135.3 Ų135.381%0.81175%0.747SS**  trans84.1136.2146.9-650000122.1
950I29.9Very low29Very low182 Ų182136 Ų13693%0.93375%0.747SS**  trans-178.9136.7144.3-91.9151.4000105.5
951G29.2Very low28.9Very low71 Ų71136.5 Ų136.573%0.73275%0.745SS**  cis-136.7-160.9-11.100000109.5
952S31Very low28.8Very low112 Ų112136.9 Ų136.978%0.78374%0.741SS**  cis-161.6144.912.351.90000111.2
953S30.7Very low29.1Very low99 Ų99137.2 Ų137.269%0.69274%0.738SS**  trans61.7153.4164.2-68.10000117.3
954E32.3Very low28.6Very low165 Ų165138.7 Ų138.777%0.77174%0.741SS**  cis-147.9-178.7-5.2-132.9134.8-115.700111.5
955E30Very low28.8Very low161 Ų161133.3 Ų133.375%0.75273%0.73SS**  trans-53166.1-174.2-57.7178.2131.900118.5
956H29Very low29.1Very low162 Ų162132 Ų13275%0.7573%0.729SS**  37.6150.6127.6-70.7-103.9000121.1
957D31Very low29.5Very low132 Ų132131.2 Ų131.271%0.70673%0.725SS**  cis-157.6-174.828.9-139.8-6.5000116.2
958L30.6Very low29.9Very low140 Ų140127.2 Ų127.273%0.73372%0.717SS**  trans-60.8137.2-175.8-74.1156.9000118.9
959L25.8Very low30Very low137 Ų137128.8 Ų128.872%0.71772%0.718SS**  57.1152122.5-128.475.4000123.4
960N29.3Very low29.9Very low128 Ų128129 Ų12968%0.68472%0.715SS**  trans71.4133.8151.4-80.1-3.5000119.6
961N26Very low29.9Very low122 Ų122126.4 Ų126.465%0.65271%0.708SS**  cis172168.80.7-130.3-17.7000108
962I28Very low29.8Very low134 Ų134128 Ų12869%0.68771%0.714SS**  trans59.9113.8145.6-65.5164.6000116.7
963T31.3Very low29.8Very low119 Ų119126.3 Ų126.373%0.7372%0.715SS**  177.6161.469.52.90000107.7
964N28.8Very low29.7Very low130 Ų130129.2 Ų129.270%0.69573%0.728SS**  cis-163.6161.8-8.9-14210000111
965T30.1Very low29.7Very low99 Ų99124.8 Ų124.861%0.60773%0.726SS**  trans35.8121.6147.854.40000119.4
966N32.6Very low29.7Very low133 Ų133125 Ų12571%0.71173%0.728SS**  cis178.1179.249.4-104-2.8000109.2
967N32.8Very low29.6Very low115 Ų115124.3 Ų124.362%0.61573%0.725SS**  cis-158.1150.93.5-129.1-5.3000113.3
968N32.6Very low29.5Very low119 Ų119125.2 Ų125.264%0.63673%0.725SS**  trans35.6114.4138.5-62.7-4.5000124.9
969N29.5Very low29.3Very low128 Ų128125.8 Ų125.868%0.68472%0.723SS**  93118.1113.4-661.7000124.7
970T27.8Very low29.5Very low121 Ų121127.2 Ų127.274%0.74273%0.726SS**  76.9125.1129.752.90000124.4
971T29.1Very low29.3Very low128 Ų128130.2 Ų130.279%0.78574%0.736SS**  trans85.2113130-620000121
972A27.7Very low29.3Very low104 Ų104131.2 Ų131.286%0.8674%0.74SS**  trans49.4137.214400000121.6
973G31.4Very low29.4Very low77 Ų77133.4 Ų133.479%0.79475%0.745SS**  trans168114.3164.800000112.8
974V28.4Very low29.4Very low160 Ų160133.1 Ų133.197%0.9775%0.748SS**  trans-71.5127.6169.3175.80000108.6
975G32.8Very low29.4Very low72 Ų72134.6 Ų134.674%0.74275%0.752SS**  trans-160127.4178.700000111.4
976Q29.2Very low29.5Very low166 Ų166136.8 Ų136.878%0.77676%0.761SS**  trans-80.1164-168.3-63.4-174.8-9.600115
977Q27.7Very low29.7Very low147 Ų147138.6 Ų138.669%0.68776%0.764SS**  trans85.8133.9144.4-84.2175.46300121.1
978Q27.3Very low30.1Very low151 Ų151140.8 Ų140.871%0.70677%0.769SS**  trans65.597.4146.9-67.9-17025.700119.8
979Q27.5Very low31.1Very low152 Ų152139 Ų13971%0.7176%0.759SS**  129.7131.895.7-170158.881.200115
980Q28.8Very low32.4Very low166 Ų166135.7 Ų135.778%0.77674%0.741SS**  trans58.188.8170-6717140.700117.9
981Q25.7Very low33.9Very low191 Ų191136.3 Ų136.389%0.89374%0.735SS**  -178173.5117.8-99.8176.133.400112
982I27Very low35.5Very low144 Ų144135 Ų13574%0.73872%0.724SS**  trans67.1101172.8-44.9-179.2000116.2
983F29.5Very low37Very low179 Ų179130.8 Ų130.879%0.78569%0.686SS**  -142.4102.1122.4-121.3-70.7000110.3M985F983-M985 HydrophobicContact CD1-CE 4.3Å; F983-M985 HydrophobicContact CD1-CG 4.03Å; F983-M985 HydrophobicContact CE1-CE 4.08Å; F983-M985 PolarHBondContact O-N 3.04Å
984S30.1Very low38.7Very low113 Ų113132 Ų13279%0.7967%0.67SS**  trans-75.8101.7165.4-63.20000108.1
985M29.5Very low40.7Very low161 Ų161126.4 Ų126.479%0.79364%0.638SS**  trans-108136.9165.8-85.1-161.8172.700111.2F983F983-M985 HydrophobicContact CD1-CE 4.3Å; F983-M985 HydrophobicContact CD1-CG 4.03Å; F983-M985 HydrophobicContact CE1-CE 4.08Å; F983-M985 PolarHBondContact O-N 3.04Å
986N33.2Very low42.3Very low146 Ų146126.9 Ų126.978%0.78162%0.623SS**  trans-52.9134.3-165.5-65.7-43.4000113.7F988N986-F988 VanDerWaalsContact C-N 3.31Å; N986-F988 PolarHBondContact O-N 2.77Å
987H36.1Very low44.1Very low170 Ų170121.6 Ų121.679%0.78760%0.596SS**  trans-69.486.2174.6-139.9-58.7000109.5N989H987-N989 PolarHBondContact O-N 2.81Å
988F41.9Very low46.3Very low162 Ų162120.3 Ų120.371%0.71159%0.59SS**  trans-6583.1168.1-100.6-85000109N986 L993N986-F988 VanDerWaalsContact C-N 3.31Å; N986-F988 PolarHBondContact O-N 2.77Å; F988-L993 HydrophobicContact CD1-CD1 4.49Å
989N53.4Low48.3Very low82 Ų82118.8 Ų118.844%0.43958%0.583SS.*  trans-67.2132.8173.4-170.1-20.8000108.2H987 H991 N992 L993H987-N989 PolarHBondContact O-N 2.81Å; N989-H991 PolarHBondContact O-N 3.12Å; N989-H991 PolarHBondContact OD1-N 3.39Å; N989-N992 WeakPolarHBondContact O-CB 3.35Å; N989-N992 PolarHBondContact O-N 2.91Å; N989-L993 PolarHBondContact O-N 3.2Å
990L56.7Low50.2Low57 Ų57113 Ų11330%0.29856%0.558SS.*Hα-helixtrans-54.4-28.6175.2-172.367.1000111.3E883 L993 K994E883-L990 HydrophobicContact CG-CD1 4.12Å; L990-L993 PolarHBondContact O-N 2.88Å; L990-K994 HydrophobicContact CG-CD 4.21Å; L990-K994 HydrophobicContact CG-CG 4.46Å; L990-K994 WeakPolarHBondContact O-CB 3.47Å; L990-K994 WeakPolarHBondContact O-CG 3.27Å; L990-K994 PolarHBondContact O-N 3.47Å
991H59.4Low52.1Low134 Ų134108.1 Ų108.162%0.6254%0.535SS*.Hα-helixtrans-63.8-36.4173.3-161.2-24000113.3N989 S995N989-H991 PolarHBondContact O-N 3.12Å; N989-H991 PolarHBondContact OD1-N 3.39Å; H991-S995 VanDerWaalsContact O-CB 3.26Å; H991-S995 WeakPolarHBondContact O-CB 3.38Å; H991-S995 PolarHBondContact O-N 2.88Å
992N62.5Low54.3Low101 Ų101103.9 Ų103.954%0.5452%0.518SS..Hα-helixtrans-72.7-40176.6-684.7000110.7N989 S995 L996N989-N992 WeakPolarHBondContact O-CB 3.35Å; N989-N992 PolarHBondContact O-N 2.91Å; N992-S995 PolarHBondContact O-N 3.23Å; N992-L996 WeakPolarHBondContact O-CB 3.43Å; N992-L996 PolarHBondContact O-N 3.42Å
993L59.8Low56.3Low15 Ų15101.4 Ų101.48%0.07951%0.506CS..Hα-helixtrans-67.1-37.9177.8-151159.6000110.9L879 E883 F988 N989 L990 L996 R997L879-L993 HydrophobicContact CD1-CD2 3.59Å; L879-L993 HydrophobicContact CD1-CG 4.11Å; L879-L993 HydrophobicContact CD2-CD2 4.36Å; L879-L993 HydrophobicContact CG-CD2 3.73Å; E883-L993 HydrophobicContact CB-CD2 4.26Å; F988-L993 HydrophobicContact CD1-CD1 4.49Å; N989-L993 PolarHBondContact O-N 3.2Å; L990-L993 PolarHBondContact O-N 2.88Å; L993-L996 PolarHBondContact O-N 2.8Å; L993-R997 PolarHBondContact O-N 2.79Å
994K66.8Low58Low102 Ų10294 Ų9444%0.44348%0.478SS..Hα-helixtrans-70.6-34.4171.1-72.8-176.3176.2-168.90113.9E883 L990 R997 Q998E883-K994 WeakPolarHBondContact OE1-CE 3.29Å; E883-K994 IonicContact OE1-NZ 3.61Å; L990-K994 HydrophobicContact CG-CD 4.21Å; L990-K994 HydrophobicContact CG-CG 4.46Å; L990-K994 WeakPolarHBondContact O-CB 3.47Å; L990-K994 WeakPolarHBondContact O-CG 3.27Å; L990-K994 PolarHBondContact O-N 3.47Å; K994-R997 PolarHBondContact O-N 2.8Å; K994-Q998 WeakPolarHBondContact O-CB 3.43Å; K994-Q998 PolarHBondContact O-N 3.29Å
995S69.3Low59.6Low44 Ų4496.2 Ų96.231%0.30847%0.47SS..Hα-helixtrans-64.8-41.5171.1-171.80000111H991 N992 Q998 Q999H991-S995 VanDerWaalsContact O-CB 3.26Å; H991-S995 WeakPolarHBondContact O-CB 3.38Å; H991-S995 PolarHBondContact O-N 2.88Å; N992-S995 PolarHBondContact O-N 3.23Å; S995-Q998 PolarHBondContact O-N 2.89Å; S995-Q999 WeakPolarHBondContact O-CB 3.42Å; S995-Q999 VanDerWaalsContact O-CG 3.29Å; S995-Q999 WeakPolarHBondContact O-CG 3.41Å; S995-Q999 PolarHBondContact O-N 3.21Å
996L65.9Low61.4Low82 Ų8291.3 Ų91.343%0.42945%0.449SS..Hα-helixtrans-67.4-41.9175.6-169.766.2000111.7L879 N992 L993 Q998 Q999 V1000L879-L996 HydrophobicContact CD1-CD2 4.36Å; N992-L996 WeakPolarHBondContact O-CB 3.43Å; N992-L996 PolarHBondContact O-N 3.42Å; L993-L996 PolarHBondContact O-N 2.8Å; L996-Q998 VanDerWaalsContact C-N 3.34Å; L996-Q998 PolarHBondContact O-N 3.02Å; L996-Q999 PolarHBondContact O-N 3.22Å; L996-V1000 WeakPolarHBondContact O-CG2 3.32Å; L996-V1000 PolarHBondContact O-N 3.24Å
997R68.5Low62.9Low55 Ų5587.1 Ų87.121%0.20843%0.426CS..Hα-helixtrans-52.4-53.3167.8168.1177.9-83.5-75.6-2110.4L879 E883 L993 K994 Q999 V1000 E1001L879-R997 HydrophobicContact CD2-CB 3.7Å; E883-R997 IonicContact OE2-NE 3.62Å; L993-R997 PolarHBondContact O-N 2.79Å; K994-R997 PolarHBondContact O-N 2.8Å; R997-Q999 VanDerWaalsContact C-N 3.27Å; R997-Q999 PolarHBondContact O-N 3.48Å; R997-V1000 PolarHBondContact O-N 3.5Å; R997-E1001 VanDerWaalsContact CD-OE1 3.25Å; R997-E1001 WeakPolarHBondContact CD-OE1 3.33Å; R997-E1001 VanDerWaalsContact CG-CD 3.45Å; R997-E1001 HydrophobicContact CG-CG 4.22Å; R997-E1001 WeakPolarHBondContact CG-OE1 3.35Å; R997-E1001 IonicContact CZ-OE1 3.58Å; R997-E1001 IonicContact NE-OE1 2.69Å; R997-E1001 IonicContact NH1-OE1 3.56Å; R997-E1001 PolarHBondContact NH1-OE1 2.87Å; R997-E1001 WeakPolarHBondContact O-CB 3.39Å; R997-E1001 WeakPolarHBondContact O-CG 3.43Å; R997-E1001 PolarHBondContact O-N 2.9Å
998Q73.6Confident63.9Low120 Ų12083.8 Ų83.856%0.56141%0.414SS*.Hα-helixtrans-62.6-33.5-178.4-171.5172.318.600112.2K994 S995 L996 L1002K994-Q998 WeakPolarHBondContact O-CB 3.43Å; K994-Q998 PolarHBondContact O-N 3.29Å; S995-Q998 PolarHBondContact O-N 2.89Å; L996-Q998 VanDerWaalsContact C-N 3.34Å; L996-Q998 PolarHBondContact O-N 3.02Å; Q998-L1002 HydrophobicContact CG-CD1 4.13Å; Q998-L1002 WeakPolarHBondContact O-CB 3.49Å; Q998-L1002 WeakPolarHBondContact O-CD1 3.28Å; Q998-L1002 PolarHBondContact O-N 3.09Å
999Q70.1Confident64.5Low118 Ų11879.7 Ų79.755%0.55140%0.399SS*.Hα-helixtrans-71.2-40.1174-74.3172.24.900112.9S995 L996 R997 L1002 L1003S995-Q999 WeakPolarHBondContact O-CB 3.42Å; S995-Q999 VanDerWaalsContact O-CG 3.29Å; S995-Q999 WeakPolarHBondContact O-CG 3.41Å; S995-Q999 PolarHBondContact O-N 3.21Å; L996-Q999 PolarHBondContact O-N 3.22Å; R997-Q999 VanDerWaalsContact C-N 3.27Å; R997-Q999 PolarHBondContact O-N 3.48Å; Q999-L1002 PolarHBondContact O-N 3.26Å; Q999-L1003 WeakPolarHBondContact O-CB 3.36Å; Q999-L1003 PolarHBondContact O-N 2.74Å
1000V66.8Low64.6Low31 Ų3183.1 Ų83.119%0.18841%0.41CS..Hα-helixtrans-70.8-36.9175.2175.70000110.9V872 L876 L996 R997 L1003 A1004V872-V1000 HydrophobicContact CG1-CG1 4.11Å; L876-V1000 HydrophobicContact CD1-CG1 4.41Å; L876-V1000 HydrophobicContact CD2-CB 4.29Å; L876-V1000 HydrophobicContact CD2-CG1 3.75Å; L876-V1000 HydrophobicContact CG-CG1 3.84Å; L996-V1000 WeakPolarHBondContact O-CG2 3.32Å; L996-V1000 PolarHBondContact O-N 3.24Å; R997-V1000 PolarHBondContact O-N 3.5Å; V1000-L1003 WeakPolarHBondContact O-CB 3.38Å; V1000-L1003 PolarHBondContact O-N 3.11Å; V1000-A1004 WeakPolarHBondContact O-CB 3.43Å; V1000-A1004 PolarHBondContact O-N 3.04Å
1001E69.4Low64.2Low64 Ų6488.8 Ų88.830%0.29943%0.429SS..Hα-helixtrans-62.7-46.3170.2-73.8168-178.300110.8L876 R997 L1003 A1004 Y1005L876-E1001 HydrophobicContact CD2-CG 4.39Å; R997-E1001 VanDerWaalsContact CD-OE1 3.25Å; R997-E1001 WeakPolarHBondContact CD-OE1 3.33Å; R997-E1001 VanDerWaalsContact CG-CD 3.45Å; R997-E1001 HydrophobicContact CG-CG 4.22Å; R997-E1001 WeakPolarHBondContact CG-OE1 3.35Å; R997-E1001 IonicContact CZ-OE1 3.58Å; R997-E1001 IonicContact NE-OE1 2.69Å; R997-E1001 IonicContact NH1-OE1 3.56Å; R997-E1001 PolarHBondContact NH1-OE1 2.87Å; R997-E1001 WeakPolarHBondContact O-CB 3.39Å; R997-E1001 WeakPolarHBondContact O-CG 3.43Å; R997-E1001 PolarHBondContact O-N 2.9Å; E1001-L1003 VanDerWaalsContact C-N 3.28Å; E1001-L1003 PolarHBondContact O-N 2.88Å; E1001-A1004 WeakPolarHBondContact O-CB 3.46Å; E1001-A1004 PolarHBondContact O-N 3.26Å; E1001-Y1005 HydrophobicContact CB-CE2 4.46Å; E1001-Y1005 WeakPolarHBondContact O-CB 3.18Å; E1001-Y1005 WeakPolarHBondContact O-CD2 3.39Å; E1001-Y1005 PolarHBondContact O-N 2.9Å
1002L71.6Confident63.6Low101 Ų10189.3 Ų89.353%0.52943%0.431SS..Hα-helixtrans-63.6-29.7172.7-100135.7000113.3Q998 Q999 T1006Q998-L1002 HydrophobicContact CG-CD1 4.13Å; Q998-L1002 WeakPolarHBondContact O-CB 3.49Å; Q998-L1002 WeakPolarHBondContact O-CD1 3.28Å; Q998-L1002 PolarHBondContact O-N 3.09Å; Q999-L1002 PolarHBondContact O-N 3.26Å; L1002-T1006 WeakPolarHBondContact O-CB 3.37Å; L1002-T1006 PolarHBondContact O-N 3.12Å; L1002-T1006 PolarHBondContact O-OG1 3.39Å
1003L67.3Low62.8Low92 Ų9289.2 Ų89.248%0.48244%0.435SS..Hα-helixtrans-71.2-44.1172.9-171.866.9000111Q999 V1000 E1001 T1006 I1007Q999-L1003 WeakPolarHBondContact O-CB 3.36Å; Q999-L1003 PolarHBondContact O-N 2.74Å; V1000-L1003 WeakPolarHBondContact O-CB 3.38Å; V1000-L1003 PolarHBondContact O-N 3.11Å; E1001-L1003 VanDerWaalsContact C-N 3.28Å; E1001-L1003 PolarHBondContact O-N 2.88Å; L1003-T1006 WeakPolarHBondContact CA-OG1 3.44Å; L1003-T1006 CarbonylContact O-C 3.52Å; L1003-T1006 PolarHBondContact O-N 2.92Å; L1003-T1006 VanDerWaalsContact O-N 3.16Å; L1003-T1006 PolarHBondContact O-OG1 2.98Å; L1003-I1007 HydrophobicContact CG-CD1 4.21Å; L1003-I1007 VanDerWaalsContact O-CG1 3.3Å; L1003-I1007 WeakPolarHBondContact O-CG1 3.38Å; L1003-I1007 PolarHBondContact O-N 3.2Å
1004A66.5Low62Low24 Ų2491.9 Ų91.920%0.19845%0.454CS..Hα-helixtrans-59.3-46.6172.200000111V872 V1000 E1001 T1006 I1007 L1008V872-A1004 HydrophobicContact CG1-CB 4.03Å; V1000-A1004 WeakPolarHBondContact O-CB 3.43Å; V1000-A1004 PolarHBondContact O-N 3.04Å; E1001-A1004 WeakPolarHBondContact O-CB 3.46Å; E1001-A1004 PolarHBondContact O-N 3.26Å; A1004-T1006 VanDerWaalsContact C-N 3.33Å; A1004-T1006 PolarHBondContact O-N 3.22Å; A1004-I1007 PolarHBondContact O-N 3.22Å; A1004-I1007 VanDerWaalsContact O-N 3.16Å; A1004-L1008 WeakPolarHBondContact O-CG 3.45Å; A1004-L1008 PolarHBondContact O-N 3.44Å
1005Y63.7Low60.4Low160 Ų16093.4 Ų93.463%0.62747%0.467SS*.Hα-helixtrans-62.2-34.5173.6-74.6-60.5000112.7E1001 L1008 D1009E1001-Y1005 HydrophobicContact CB-CE2 4.46Å; E1001-Y1005 WeakPolarHBondContact O-CB 3.18Å; E1001-Y1005 WeakPolarHBondContact O-CD2 3.39Å; E1001-Y1005 PolarHBondContact O-N 2.9Å; Y1005-L1008 HydrophobicContact CD1-CD1 4.45Å; Y1005-L1008 PolarHBondContact O-N 2.83Å; Y1005-D1009 WeakPolarHBondContact O-CB 3.47Å; Y1005-D1009 PolarHBondContact O-N 3.21Å
1006T67.7Low58.7Low57 Ų5794.7 Ų94.735%0.3549%0.488SS..Hα-helixtrans-83.7-7.6174.845.50000114.9L1002 L1003 A1004 K1010L1002-T1006 WeakPolarHBondContact O-CB 3.37Å; L1002-T1006 PolarHBondContact O-N 3.12Å; L1002-T1006 PolarHBondContact O-OG1 3.39Å; L1003-T1006 WeakPolarHBondContact CA-OG1 3.44Å; L1003-T1006 CarbonylContact O-C 3.52Å; L1003-T1006 PolarHBondContact O-N 2.92Å; L1003-T1006 VanDerWaalsContact O-N 3.16Å; L1003-T1006 PolarHBondContact O-OG1 2.98Å; A1004-T1006 VanDerWaalsContact C-N 3.33Å; A1004-T1006 PolarHBondContact O-N 3.22Å; T1006-K1010 WeakPolarHBondContact O-CB 3.17Å; T1006-K1010 WeakPolarHBondContact O-CD 3.33Å; T1006-K1010 VanDerWaalsContact O-CG 3.23Å; T1006-K1010 WeakPolarHBondContact O-CG 3.3Å; T1006-K1010 PolarHBondContact O-N 3.1Å
1007I63.6Low57.1Low58 Ų5893.5 Ų93.530%0.29750%0.495SS..Hα-helixtrans-83.1-41.3164.2-69.3163.6000109.4V872 L1003 A1004 K1010 Y1011V872-I1007 HydrophobicContact CG2-CD1 4.33Å; L1003-I1007 HydrophobicContact CG-CD1 4.21Å; L1003-I1007 VanDerWaalsContact O-CG1 3.3Å; L1003-I1007 WeakPolarHBondContact O-CG1 3.38Å; L1003-I1007 PolarHBondContact O-N 3.2Å; A1004-I1007 PolarHBondContact O-N 3.22Å; A1004-I1007 VanDerWaalsContact O-N 3.16Å; I1007-K1010 PolarHBondContact O-N 2.77Å; I1007-Y1011 PolarHBondContact O-N 3.17Å
1008L57.9Low55.1Low101 Ų101100.6 Ų100.653%0.52952%0.523SS..Hα-helixtrans-66.4-45.2172.4-70.4164.1000112.5A1004 Y1005 K1010 Y1011 E1012A1004-L1008 WeakPolarHBondContact O-CG 3.45Å; A1004-L1008 PolarHBondContact O-N 3.44Å; Y1005-L1008 HydrophobicContact CD1-CD1 4.45Å; Y1005-L1008 PolarHBondContact O-N 2.83Å; L1008-K1010 PolarHBondContact O-N 2.78Å; L1008-Y1011 VanDerWaalsContact O-CA 3.31Å; L1008-Y1011 WeakPolarHBondContact O-CA 3.37Å; L1008-Y1011 WeakPolarHBondContact O-CB 3.38Å; L1008-Y1011 PolarHBondContact O-N 2.8Å; L1008-E1012 PolarHBondContact O-N 2.82Å
1009D55.2Low52.8Low76 Ų76103.8 Ų103.841%0.40654%0.538SS..Hα-helixtrans-66.4-20175.8-174.846.9000111.5Y1005 T1013Y1005-D1009 WeakPolarHBondContact O-CB 3.47Å; Y1005-D1009 PolarHBondContact O-N 3.21Å; D1009-T1013 VanDerWaalsContact O-CB 3.24Å; D1009-T1013 WeakPolarHBondContact O-CB 3.4Å; D1009-T1013 VanDerWaalsContact O-CG2 3.31Å; D1009-T1013 WeakPolarHBondContact O-CG2 3.46Å; D1009-T1013 PolarHBondContact O-N 2.85Å; D1009-T1013 PolarHBondContact O-OG1 2.73Å; D1009-T1013 WeakPolarHBondContact OD1-CG2 3.31Å
1010K54Low50.9Low154 Ų154106.8 Ų106.867%0.6755%0.549SS*.Hα-helixtrans-80-14.6167.2-83175.4-175.9171.40114.1T1006 I1007 L1008 S1014T1006-K1010 WeakPolarHBondContact O-CB 3.17Å; T1006-K1010 WeakPolarHBondContact O-CD 3.33Å; T1006-K1010 VanDerWaalsContact O-CG 3.23Å; T1006-K1010 WeakPolarHBondContact O-CG 3.3Å; T1006-K1010 PolarHBondContact O-N 3.1Å; I1007-K1010 PolarHBondContact O-N 2.77Å; L1008-K1010 PolarHBondContact O-N 2.78Å; K1010-S1014 WeakPolarHBondContact O-CB 3.49Å
1011Y48.4Very low49.1Very low175 Ų175112.1 Ų112.169%0.68658%0.575SS**Hα-helixtrans-78.3-51.1165.8-159.5-102.8000108.6I1007 L1008 S1014I1007-Y1011 PolarHBondContact O-N 3.17Å; L1008-Y1011 VanDerWaalsContact O-CA 3.31Å; L1008-Y1011 WeakPolarHBondContact O-CA 3.37Å; L1008-Y1011 WeakPolarHBondContact O-CB 3.38Å; L1008-Y1011 PolarHBondContact O-N 2.8Å; Y1011-S1014 WeakPolarHBondContact O-CB 3.2Å; Y1011-S1014 PolarHBondContact O-N 3.32Å; Y1011-S1014 PolarHBondContact O-OG 3.49Å
1012E47.3Very low47Very low145 Ų145116.8 Ų116.868%0.67860%0.602SS**Hα-helixtrans-66.2-48179.1-69.2-179.210200113.6L1008 S1014 D1015L1008-E1012 PolarHBondContact O-N 2.82Å; E1012-S1014 PolarHBondContact O-N 2.84Å; E1012-D1015 PolarHBondContact O-N 3.15Å
1013T45.6Very low44.9Very low100 Ų100116.8 Ų116.861%0.61361%0.608SS**THydrogen-bonded Turntrans-73.85.5176.962.90000114.1D1009D1009-T1013 VanDerWaalsContact O-CB 3.24Å; D1009-T1013 WeakPolarHBondContact O-CB 3.4Å; D1009-T1013 VanDerWaalsContact O-CG2 3.31Å; D1009-T1013 WeakPolarHBondContact O-CG2 3.46Å; D1009-T1013 PolarHBondContact O-N 2.85Å; D1009-T1013 PolarHBondContact O-OG1 2.73Å; D1009-T1013 WeakPolarHBondContact OD1-CG2 3.31Å
1014S42.8Very low43.1Very low70 Ų70119.6 Ų119.649%0.4963%0.629SS.*THydrogen-bonded Turntrans-86.113.9165.4800000113.6K1010 Y1011 E1012 G1016K1010-S1014 WeakPolarHBondContact O-CB 3.49Å; Y1011-S1014 WeakPolarHBondContact O-CB 3.2Å; Y1011-S1014 PolarHBondContact O-N 3.32Å; Y1011-S1014 PolarHBondContact O-OG 3.49Å; E1012-S1014 PolarHBondContact O-N 2.84Å; S1014-G1016 PolarHBondContact O-N 2.89Å
1015D34.4Very low41.3Very low134 Ų134123.5 Ų123.572%0.71766%0.655SS**  trans-6665168.2-171.123.1000113.3E1012E1012-D1015 PolarHBondContact O-N 3.15Å
1016G32.5Very low39.4Very low72 Ų72122.9 Ų122.974%0.74266%0.662SS**SBendtrans-112.637.3158.800000110.3S1014S1014-G1016 PolarHBondContact O-N 2.89Å
1017G31.6Very low37.7Very low56 Ų56124.9 Ų124.958%0.57768%0.676SS**SBendtrans9653.5167.300000117.9
1018Y26.8Very low36.1Very low204 Ų204124.7 Ų124.780%0.868%0.675SS**  trans-133.820.7172.2-76.8-73.8000116.8K1020Y1018-K1020 PolarHBondContact O-N 3.49Å; Y1018-K1020 VanDerWaalsContact O-N 3.07Å
1019E25.7Very low34.7Very low187 Ų187125.8 Ų125.887%0.87468%0.681SS**  trans-73.992.2167.6-80.3-148.1128.400112.7
1020K30.9Very low33.4Very low181 Ų181125.4 Ų125.479%0.78768%0.681SS**  trans-163.230.9149.1-123.3-178.9-176.8-172.60120.2Y1018Y1018-K1020 PolarHBondContact O-N 3.49Å; Y1018-K1020 VanDerWaalsContact O-N 3.07Å
1021I28.4Very low32Very low143 Ų143123.8 Ų123.873%0.73368%0.68SS**SBendtrans-142.5121167.2-46.8176.4000106.3
1022L26.1Very low31.2Very low162 Ų162123.3 Ų123.385%0.84869%0.688SS**  cis-124.6160.917.5-62.378.3000112.6
1023P27Very low30.1Very low102 Ų102123 Ų12366%0.66269%0.691SS**  trans-117.9136166.836.8-25.3000114.9
1024T29.3Very low29.1Very low150 Ų150126.5 Ų126.592%0.9270%0.702SS**  trans-100172.2149.5460000110.1
1025S27.5Very low28.2Very low107 Ų107129.1 Ų129.175%0.74872%0.715SS**  trans-102.1127.4-143.456.80000118.2
1026L25.9Very low27.8Very low146 Ų146129.4 Ų129.476%0.76472%0.722SS**  trans65.4161.6144.2-99.866.7000119.3
1027P31.5Very low27.6Very low99 Ų99132.1 Ų132.164%0.64372%0.724SS**  cis-134.5158.6-8.340.2-23.6000116.8
1028N28.9Very low27.3Very low54 Ų54135.5 Ų135.529%0.28973%0.734SS.*  trans61.8106.4135.4-75.6-15000123.7N1098 H1099N1028-N1098 HydrophobicContact CB-CB 3.63Å; N1028-N1098 PolarHBondContact ND2-O 2.97Å; N1028-N1098 PolarHBondContact OD1-ND2 3.38Å; N1028-H1099 PolarHBondContact ND2-CD2 2.83Å; N1028-H1099 PolarHBondContact ND2-CE1 2.84Å; N1028-H1099 VanDerWaalsContact ND2-CE1 3.27Å; N1028-H1099 PolarHBondContact ND2-NE2 3.34Å; N1028-H1099 VanDerWaalsContact ND2-NE2 3.1Å
1029L28.9Very low27.3Very low125 Ų125131.6 Ų131.665%0.65474%0.737SS**  -153.7172.2110.3-134.285.6000112.1N1098L1029-N1098 VanDerWaalsContact CA-CG 3.43Å; L1029-N1098 WeakPolarHBondContact CA-OD1 3.36Å; L1029-N1098 HydrophobicContact CD1-CB 3.9Å; L1029-N1098 HydrophobicContact CG-CB 4.18Å
1030T27.4Very low27.5Very low67 Ų67129.8 Ų129.841%0.41174%0.738SS.*  trans-99.5155.7-15914.60000118N1098T1030-N1098 WeakPolarHBondContact CA-OD1 3.45Å; T1030-N1098 WeakPolarHBondContact CB-OD1 3.49Å; T1030-N1098 WeakPolarHBondContact CG2-OD1 3.2Å; T1030-N1098 PolarHBondContact N-OD1 3.27Å; T1030-N1098 PolarHBondContact OG1-OD1 3.4Å
1031N25.9Very low27.3Very low120 Ų120124.8 Ų124.864%0.64274%0.738SS**  trans48.8124.1142.2-66.4-19.3000119.8
1032I29.9Very low27.4Very low166 Ų166121.8 Ų121.885%0.85174%0.742SS**  -153.914299.7-99.2153000109.5
1033N25.7Very low27.6Very low138 Ų138120.1 Ų120.174%0.73874%0.739SS**  trans-79.5145.4174.8-64.9-41.2000110.6
1034M23.9Very low27.6Very low174 Ų174122.5 Ų122.586%0.85774%0.744SS**  -173.4159.9100.5-102.7-165.1-69.100115.5
1035T24.6Very low27.7Very low124 Ų124120.1 Ų120.176%0.76173%0.731SS**  trans-54143.8168.248.30000114.7
1036T25.7Very low27.6Very low140 Ų140120.5 Ų120.586%0.85973%0.73SS**  trans-149.4118.5144.232.60000111.3
1037T27.4Very low27.6Very low129 Ų129120.4 Ų120.479%0.79173%0.728SS**  trans-91.2133.1147.143.60000108.3
1038T25.4Very low27.3Very low127 Ų127124.7 Ų124.778%0.77974%0.739SS**  trans41.8104.8158.256.60000118.6
1039S28.5Very low27.2Very low123 Ų123125.1 Ų125.186%0.8676%0.757SS**  173.1170.3104.449.80000113.6
1040V28.5Very low27Very low148 Ų148125.1 Ų125.190%0.89776%0.762SS**  trans-62.4140.4-175.7-176.70000111.7
1041G27.9Very low26.9Very low77 Ų77129 Ų12979%0.79478%0.78SS**  trans-83.1166.6-16900000117.3
1042G30.5Very low26.9Very low79 Ų79131.7 Ų131.781%0.81479%0.794SS**  trans-169.9146.2172.900000110.2
1043T29.7Very low26.6Very low127 Ų127129.3 Ų129.378%0.77979%0.791SS**  trans-117.6138-156.439.30000116.2
1044I26.4Very low27.2Very low152 Ų152127.9 Ų127.978%0.77979%0.789SS**  trans72.1141.2135.3-70.7171.7000118.2
1045P32.7Very low27.2Very low100 Ų100126.3 Ų126.365%0.64978%0.783SS**  cis-148.8-163.8-25.542.3-20.4000116.5
1046T24.4Very low27.2Very low116 Ų116128 Ų12871%0.71278%0.782SS**  trans84.3127.2144.442.70000126.2
1047I26Very low27.1Very low143 Ų143126 Ų12673%0.73377%0.774SS**  trans97.7112.9133.2-73.5165.2000122.4
1048H25.5Very low27.1Very low189 Ų189126.6 Ų126.688%0.87577%0.771SS**  trans54.3139.6148.1-80.6-112.8000124.7
1049G25.6Very low27.1Very low64 Ų64128.2 Ų128.266%0.6677%0.77SS**  135.565.212500000123.3
1050T25.5Very low27.1Very low125 Ų125130.3 Ų130.377%0.76777%0.765SS**  trans40124.7143.355.10000124.1
1051N24.4Very low27.1Very low147 Ų147128.6 Ų128.679%0.78676%0.755SS**  trans60.1117.2136.6-55.8-19.6000122.6
1052L27.6Very low26.9Very low177 Ų177134 Ų13493%0.92776%0.76SS**  170.4172.5116.4-91.8162.3000114.1
1053C22.7Very low26.6Very low116 Ų116138.3 Ų138.378%0.78476%0.758SS**  trans-114.9-177.7-177.4-81.10000111.2
1054P37.8Very low26.4Very low108 Ų108138.3 Ų138.370%0.70176%0.763SS**  cis-135.9-160.3-39.333.8-12.1000113.1
1055L24.2Very low26.4Very low142 Ų142136.4 Ų136.474%0.74376%0.764SS**  trans95117.9151.7-72.9161.8000123.4
1056Q24.5Very low26.2Very low158 Ų158140.8 Ų140.874%0.73878%0.775SS**  trans81.2129.8131.1-90177-33.800125.5
1057C24.3Very low26Very low100 Ų100139.8 Ų139.868%0.67677%0.773SS**  trans73.2139.3144-670000120.7
1058L26.4Very low26Very low141 Ų141138.8 Ų138.874%0.73878%0.776SS**  cis-164.4157.6-18.5-153.271000111.2
1059Q26.4Very low25.9Very low161 Ų161136.1 Ų136.175%0.75277%0.767SS**  trans69.5102.2143.9-153.8163.511.100121.3
1060H27.3Very low25.8Very low166 Ų166138.4 Ų138.477%0.76977%0.773SS**  -164.7162.8101.2-147.3-97.3000112.4
1061V28.8Very low25.9Very low112 Ų112138.6 Ų138.668%0.67978%0.776SS**  trans64.9109.6179.2-170.90000115.1
1062Q24.3Very low25.8Very low190 Ų190135 Ų13589%0.88877%0.774SS**  trans-97.7103.1177.8-68.2172.7-89.900111.9
1063H25.3Very low25.6Very low170 Ų170132.2 Ų132.279%0.78776%0.76SS**  trans-142.5155.2155.8-74.5-73.6000109.5
1064S24.3Very low25.7Very low127 Ų127130.7 Ų130.789%0.88875%0.749SS**  trans77.1115.7179.577.70000118.8
1065S26.2Very low25.1Very low112 Ų112127.9 Ų127.978%0.78373%0.732SS**  trans-168.2126.9155.454.80000107
1066Q28Very low25.1Very low192 Ų192128.5 Ų128.590%0.89773%0.734SS**  cis-146.5153.7-2.3-97.1165.9-2400109.8
1067S21.9Very low25.1Very low96 Ų96126.2 Ų126.267%0.67172%0.724SS**  trans-75.7177.1171.6-20.50000111.6
1068P25.4Very low25.1Very low121 Ų121125.9 Ų125.979%0.78672%0.723SS**  cis-110.8162.723.640.1-30.6000114.1
1069I23.5Very low25Very low134 Ų134123.7 Ų123.769%0.68773%0.725SS**  cis7982.134.3-53.8170.8000114
1070S23Very low24.9Very low111 Ų111123.8 Ų123.878%0.77673%0.729SS**  trans63.9168.4140.4-61.80000120.3
1071P26.9Very low24.7Very low129 Ų129120.2 Ų120.284%0.83872%0.719SS**  cis-128.8-178.5-13.134.6-16.4000114.5
1072G23.3Very low24.5Very low73 Ų73118.8 Ų118.875%0.75371%0.714SS**  trans133123.8133.900000119.7
1073L23.4Very low24.5Very low118 Ų118113.1 Ų113.162%0.61870%0.695SS**  trans-108.3171.6158.3-58.6179.2000106.9I1104L1073-I1104 HydrophobicContact CB-CD1 3.96Å; L1073-I1104 HydrophobicContact CB-CG1 4.28Å; L1073-I1104 WeakPolarHBondContact O-CD1 3.4Å
1074C24.4Very low24.4Very low84 Ų84109.7 Ų109.757%0.56869%0.69SS**  cis-163.1-157.3-26.6-93.40000103.3I1104C1074-I1104 HydrophobicContact CB-CG1 4.3Å; C1074-I1104 VanDerWaalsContact N-CG1 3.29Å
1075S24.6Very low24.5Very low48 Ų48108.8 Ų108.834%0.33668%0.684SS.*  cis-170.6178.613.9-171.80000107.5Y1105S1075-Y1105 WeakPolarHBondContact CB-O 3.2Å; S1075-Y1105 VanDerWaalsContact OG-C 3.23Å; S1075-Y1105 PolarHBondContact OG-O 3.44Å
1076I25Very low24.5Very low155 Ų155110.9 Ų110.980%0.79569%0.686SS**  trans165.2144.5141.7-88.9154.6000112.4
1077Q24.7Very low24.4Very low110 Ų110109.2 Ų109.251%0.51468%0.682SS.*  trans-157115.3164.6168.853.448.300111
1078S24.8Very low24.7Very low94 Ų94112.5 Ų112.566%0.65769%0.692SS**  trans57.2153.8168.744.60000119.9
1079A23.5Very low24.8Very low95 Ų95112.7 Ų112.779%0.78569%0.687SS**  cis-129.2-114.6-13.900000111.4
1080I24.2Very low24.8Very low162 Ų162112 Ų11283%0.83168%0.684SS**  cis-142.6166.24-72.3174000108.4
1081T23.4Very low25.1Very low92 Ų92113.3 Ų113.356%0.56468%0.683SS**  trans-70.7141.2-178.4470000117.4
1082S24.2Very low25Very low81 Ų81113.1 Ų113.157%0.56668%0.675SS**  trans60.8110.7135.1-56.50000123.3
1083S23.6Very low25.1Very low71 Ų71115.6 Ų115.650%0.49767%0.67SS.*  45.2129128.6670000120.8
1084S24Very low25.1Very low98 Ų98116.1 Ų116.169%0.68567%0.674SS**  -178179.271.1-940000114.8
1085S26.8Very low25.2Very low109 Ų109115.8 Ų115.876%0.76267%0.67SS**  trans77.189.1162.974.30000122.1
1086L26Very low25.2Very low156 Ų156118.1 Ų118.182%0.81768%0.682SS**  48.6120.3120.1-63.4167.2000123.1
1087L25.9Very low25.2Very low157 Ų157116.3 Ų116.382%0.82268%0.678SS**  trans49.3122.9131.4-60173.6000121.7
1088D28.2Very low25.1Very low164 Ų164112.3 Ų112.388%0.87766%0.66SS**  -155-174.6104.5-142.5-26.1000112.1
1089N26.7Very low25.2Very low126 Ų126114.9 Ų114.967%0.67466%0.662SS**  trans-113.5156.2-144.5-136.7-23.9000117.7
1090N24.7Very low25.2Very low119 Ų119115.6 Ų115.664%0.63665%0.652SS**  trans47.9113.9154.6-67.7-44.9000121.7
1091N28.1Very low25.3Very low139 Ų139115.7 Ų115.774%0.74365%0.654SS**  -174.1115.798-103.9-69.9000116
1092N25.5Very low25.4Very low125 Ų125116.1 Ų116.167%0.66866%0.661SS**  43125.4129.4-72.5-40.9000123.6
1093N24.8Very low25.4Very low124 Ų124115.7 Ų115.766%0.66366%0.658SS**  trans90.7111.7136.6-65.8-24.4000121.6
1094N24.1Very low25.5Very low129 Ų129114.9 Ų114.969%0.6965%0.648SS**  trans71.5140.8149.8-59.8-45.2000116.9
1095T26.8Very low25.6Very low78 Ų78117.4 Ų117.448%0.47964%0.644SS.*  cis-153.1143.411.7-17.10000112.4
1096T24.2Very low25.5Very low96 Ų96114.5 Ų114.559%0.58963%0.626SS**  trans39.9123.6147.448.30000121.6
1097T24.9Very low25.5Very low118 Ų118113.5 Ų113.572%0.72462%0.621SS**  trans61.8105.4140.259.10000118.3
1098N22.5Very low25.5Very low26 Ų26110.3 Ų110.314%0.13961%0.612CS.*  trans-153.1144.2151.8-158.868.7000110N1028 L1029 T1030N1028-N1098 HydrophobicContact CB-CB 3.63Å; N1028-N1098 PolarHBondContact ND2-O 2.97Å; N1028-N1098 PolarHBondContact OD1-ND2 3.38Å; L1029-N1098 VanDerWaalsContact CA-CG 3.43Å; L1029-N1098 WeakPolarHBondContact CA-OD1 3.36Å; L1029-N1098 HydrophobicContact CD1-CB 3.9Å; L1029-N1098 HydrophobicContact CG-CB 4.18Å; T1030-N1098 WeakPolarHBondContact CA-OD1 3.45Å; T1030-N1098 WeakPolarHBondContact CB-OD1 3.49Å; T1030-N1098 WeakPolarHBondContact CG2-OD1 3.2Å; T1030-N1098 PolarHBondContact N-OD1 3.27Å; T1030-N1098 PolarHBondContact OG1-OD1 3.4Å
1099H26.4Very low25.4Very low147 Ų147112.3 Ų112.368%0.68161%0.607SS**  trans-159.4105.3140.9-105.3-71.7000108.7N1028N1028-H1099 PolarHBondContact ND2-CD2 2.83Å; N1028-H1099 PolarHBondContact ND2-CE1 2.84Å; N1028-H1099 VanDerWaalsContact ND2-CE1 3.27Å; N1028-H1099 PolarHBondContact ND2-NE2 3.34Å; N1028-H1099 VanDerWaalsContact ND2-NE2 3.1Å
1100N24.2Very low25.3Very low111 Ų111115.4 Ų115.459%0.59461%0.611SS**  trans-154.8118.8161.3-108.1-10.3000105.8
1101N25.5Very low25.3Very low163 Ų163114.4 Ų114.487%0.87261%0.609SS**  trans-177.6140.5151.4-98.6-17.6000111
1102S26Very low25.3Very low102 Ų102113.7 Ų113.771%0.71362%0.615SS**  trans-136.2130177.554.60000110
1103S24.9Very low25.3Very low72 Ų72113 Ų11350%0.50361%0.611SS.*  trans-163.8113.8171.7-168.50000108.6
1104I25.9Very low25.4Very low54 Ų54112.6 Ų112.628%0.27761%0.609SS.*  52.4125.878.8-54.5173.1000111.2L1073 C1074L1073-I1104 HydrophobicContact CB-CD1 3.96Å; L1073-I1104 HydrophobicContact CB-CG1 4.28Å; L1073-I1104 WeakPolarHBondContact O-CD1 3.4Å; C1074-I1104 HydrophobicContact CB-CG1 4.3Å; C1074-I1104 VanDerWaalsContact N-CG1 3.29Å
1105Y26.4Very low25.4Very low151 Ų151117.7 Ų117.759%0.59262%0.618SS**  cis-130.7-149.328.8-138.6-79.9000114.3S1075S1075-Y1105 WeakPolarHBondContact CB-O 3.2Å; S1075-Y1105 VanDerWaalsContact OG-C 3.23Å; S1075-Y1105 PolarHBondContact OG-O 3.44Å
1106A23.9Very low25.5Very low47 Ų47121.4 Ų121.439%0.38864%0.635SS.*  trans-103.8170.4-165.400000113.4
1107N26.4Very low25.6Very low135 Ų135126.4 Ų126.472%0.72265%0.648SS**  -156.5129.582.4-85.2-29.9000114.4
1108S26.4Very low25.8Very low90 Ų90126.8 Ų126.863%0.62964%0.64SS**  trans-168.8134.7136.9-174.10000109.8
1109W24.1Very low26Very low206 Ų206132.7 Ų132.778%0.7867%0.672SS**  trans-144.2112.9169.3-90.378.2000109.5V1111W1109-V1111 HydrophobicContact CE3-CG2 4.5Å
1110Y25Very low26.1Very low192 Ų192131.8 Ų131.875%0.75368%0.679SS**  trans-142.1138.3151.4-126.9-86.4000108.8S1112Y1110-S1112 PolarHBondContact O-N 3.01Å
1111V26Very low26.3Very low98 Ų98130.9 Ų130.959%0.59469%0.687SS**  trans-87.5110.4-165.5177.40000110.9W1109 L1113W1109-V1111 HydrophobicContact CE3-CG2 4.5Å; V1111-L1113 HydrophobicContact CG1-CD1 4.06Å; V1111-L1113 HydrophobicContact CG1-CG 3.78Å
1112S26.9Very low26.4Very low123 Ų123131.8 Ų131.886%0.8669%0.686SS**  trans-106.9101163.6-64.20000109.4Y1110Y1110-S1112 PolarHBondContact O-N 3.01Å
1113L26.8Very low26.4Very low112 Ų112133.4 Ų133.459%0.58670%0.696SS**  trans-89.1149.6174.4-78.8168.4000111.2V1111V1111-L1113 HydrophobicContact CG1-CD1 4.06Å; V1111-L1113 HydrophobicContact CG1-CG 3.78Å
1114N26Very low26.5Very low115 Ų115138 Ų13862%0.61571%0.714SS**SBendtrans65.462.9170.1-75.74.5000118.9
1115R25Very low26.5Very low236 Ų236141.1 Ų141.189%0.89174%0.738SS**  -142.789.3123.1-90.6-161.3-179.3-155.22.9110.9
1116N27.4Very low26.5Very low156 Ų156142.4 Ų142.483%0.83475%0.751SS**  trans-160.4102.8157.6-113.5-27.9000113.2
1117K27.8Very low26.5Very low200 Ų200148.6 Ų148.687%0.8777%0.772SS**  trans-142.686.3149.8-83.6-168178-1790107.2
1118F28Very low26.5Very low127 Ų127150.4 Ų150.456%0.55778%0.778SS**  trans-150.5139.8137.8-115.8-72000111.9L1286F1118-L1286 HydrophobicContact CE2-CB 3.6Å; F1118-L1286 HydrophobicContact CE2-CD1 3.93Å; F1118-L1286 HydrophobicContact CE2-CD2 4.22Å; F1118-L1286 HydrophobicContact CE2-CG 4.1Å; F1118-L1286 HydrophobicContact CZ-CB 3.56Å; F1118-L1286 HydrophobicContact CZ-CD1 3.93Å; F1118-L1286 HydrophobicContact CZ-CG 4.29Å
1119N26.5Very low26.5Very low150 Ų150152.5 Ų152.580%0.80278%0.783SS**  trans-90125.1178.8-73.5-34000110.7A1121N1119-A1121 PolarHBondContact O-N 3.48Å
1120P28.6Very low26.4Very low127 Ų127151.2 Ų151.283%0.82579%0.785SS**  trans-81.5106.5152.631.5-28000108.8Q1122P1120-Q1122 PolarHBondContact O-N 3.43Å
1121A28.2Very low26.6Very low93 Ų93150.5 Ų150.577%0.76979%0.788SS**  trans-81.8107.5176.300000111.1N1119N1119-A1121 PolarHBondContact O-N 3.48Å
1122Q27.8Very low26.5Very low182 Ų182150.4 Ų150.485%0.8579%0.792SS**  trans41.8114.5149.6-60.4177.2-4.800119P1120P1120-Q1122 PolarHBondContact O-N 3.43Å
1123C26.4Very low26.5Very low136 Ų136150.9 Ų150.992%0.91979%0.785SS**  -140.3141.8121.5-96.80000110
1124L26.8Very low26.6Very low167 Ų167153.1 Ų153.187%0.87479%0.793SS**  trans-91.9145.5177.5-71.2163.5000109.7
1125P26.2Very low26.6Very low120 Ų120152.3 Ų152.378%0.77980%0.796SS**  trans-74.3150.9167.833.1-34.2000110.4
1126M27Very low26.6Very low178 Ų178149.4 Ų149.488%0.87779%0.792SS**  trans-145.2110.1157.6-164.3171.6-167.300109
1127E23.1Very low26.6Very low177 Ų177151 Ų15183%0.82780%0.795SS**  trans-70147.6168-59.1175.912000109.9
1128M25.7Very low26.5Very low173 Ų173149.4 Ų149.485%0.85280%0.795SS**  -151.3110.2129.6-85.1-144.5-174.600110.7
1129N27.6Very low26.6Very low135 Ų135148.8 Ų148.872%0.72280%0.804SS**  53.8125.7125.6-156.355.6000119.5
1130E22.3Very low26.5Very low178 Ų178147.1 Ų147.183%0.83280%0.803SS**  trans-61.2147.7166.2-58.5-177.1121.800111.9
1131H28.5Very low26.2Very low177 Ų177149.1 Ų149.182%0.81980%0.804SS**  trans-145.2128.8141.7-105.3-62000110.4
1132S23.3Very low26.1Very low97 Ų97149.1 Ų149.168%0.67880%0.798SS**  trans-73.9143.2-179.347.10000112.5
1133N27.8Very low25.9Very low133 Ų133148.2 Ų148.271%0.71180%0.799SS**  -173.7141.9128.3-104.9-72.1000113.6
1134Q29Very low25.9Very low159 Ų159150.4 Ų150.474%0.74380%0.795SS**  trans61.193.2145-69.7167.147.300120.8
1135S25.3Very low25.8Very low97 Ų97146.8 Ų146.868%0.67878%0.783SS**  51.5124116.763.20000122.1
1136Q24.9Very low25.8Very low176 Ų176147.3 Ų147.382%0.82278%0.784SS**  trans40.6112.2135.5-54.7-178.16.800119.4
1137Q27.5Very low25.8Very low190 Ų190144.1 Ų144.189%0.88878%0.78SS**  -174.9173.597.3-99.2-171.4300113.3
1138L24.9Very low26Very low166 Ų166140.9 Ų140.987%0.86978%0.777SS**  trans-82.7163.5-173.1-81147000113.4
1139P30.3Very low26.1Very low114 Ų114137.4 Ų137.474%0.7477%0.769SS**  trans-93153.4-162.135.6-37000115.6
1140S24.5Very low26.1Very low114 Ų114138.6 Ų138.680%0.79777%0.774SS**  trans-162.911515035.50000116
1141M24Very low26.6Very low169 Ų169135.3 Ų135.383%0.83377%0.768SS**  66.5133.6129.9-60.4-93.259.900124.8
1142S24.8Very low26.5Very low93 Ų93132.3 Ų132.365%0.6577%0.767SS**  trans68.898.3140.155.90000122.9
1143L23.3Very low26.8Very low164 Ų164133.9 Ų133.986%0.85977%0.773SS**  39125.3120.9-62.1168.6000121.1
1144H27Very low26.7Very low182 Ų182133.3 Ų133.384%0.84377%0.774SS**  -171.4115.5121.7-110.4-141.1000115.4
1145S25.5Very low26.6Very low90 Ų90135.8 Ų135.863%0.62978%0.777SS**  trans57.6109.5131.4-51.20000125.6
1146T25Very low26.6Very low131 Ų131138.4 Ų138.480%0.80478%0.779SS**  76.5126.7124.957.80000125.5
1147S28Very low26.5Very low112 Ų112137.7 Ų137.778%0.78378%0.776SS**  120.4103.7129.371.70000122.7
1148S26.1Very low26.4Very low108 Ų108138.2 Ų138.276%0.75578%0.778SS**  trans54.9108.7136.356.20000126.2
1149S28.7Very low26.3Very low100 Ų100140.8 Ų140.870%0.69978%0.776SS**  82.9110.9119.567.50000126.1
1150I28.1Very low26Very low160 Ų160141.5 Ų141.582%0.82177%0.77SS**  71.9146125.3-66.2172.2000118.6
1151P32.5Very low25.9Very low109 Ų109144.8 Ų144.871%0.70877%0.766SS**  cis-131166.49.627.1-3.7000119.5
1152S25.7Very low25.9Very low114 Ų114142.4 Ų142.480%0.79776%0.757SS**  trans58119.2145.4-61.20000123.5
1153V30.3Very low25.8Very low131 Ų131144.2 Ų144.279%0.79476%0.759SS**  -179.8118.396.7154.80000111.6
1154V25Very low26Very low121 Ų121142.4 Ų142.473%0.73375%0.754SS**  trans65.6144.9153.6170.40000121.4
1155Y26.4Very low25.9Very low210 Ų210144.2 Ų144.282%0.82475%0.754SS**  trans76.1117.7173.2-85.7-64.6000121.6
1156Q25.8Very low25.9Very low153 Ų153146.3 Ų146.372%0.71576%0.757SS**  trans71.3102.2138.5-149.7143.2-19.100122.1
1157Q23.7Very low26.1Very low161 Ų161146.3 Ų146.375%0.75275%0.753SS**  65.191.1127.2-169.3177.721.900119.9
1158Q24.8Very low26.2Very low201 Ų201147.6 Ų147.694%0.93975%0.746SS**  trans-153.4-178.8138.2-119.3-179.329.400113.3
1159R23.9Very low26.3Very low219 Ų219148.3 Ų148.383%0.82674%0.741SS**  trans-102.3156.9-161.4-64.4-164.6-75.2-159.5-5.6115
1160Q22.9Very low26.2Very low130 Ų130149.3 Ų149.361%0.60774%0.738SS**  trans96130.8132.6-109.4170.5-9.300121.5
1161Y22.7Very low26.4Very low182 Ų182149.3 Ų149.371%0.71474%0.735SS**  trans69141.8162.6-56.1-58.8000117.3
1162N22.9Very low26.1Very low119 Ų119150.4 Ų150.464%0.63673%0.734SS**  cis-158.5161.2-2-132.6-14.3000114.2
1163N23.3Very low26.1Very low131 Ų131150.5 Ų150.570%0.70172%0.724SS**  trans57.1127.1154-56.4-37.8000121.5
1164V27.5Very low25.8Very low126 Ų126147.3 Ų147.376%0.76470%0.703SS**  163.7128.4102.6163.70000111.5
1165R26Very low26Very low220 Ų220145.7 Ų145.783%0.8370%0.695SS**  trans59.7121.6167.4-74.7171.7168.6158.2-2117.9
1166L25.4Very low25.9Very low134 Ų134141.4 Ų141.470%0.70268%0.682SS**  cis81.8109.743.1-65.3166.4000114.6
1167N27.9Very low25.8Very low132 Ų132141.3 Ų141.371%0.70669%0.686SS**  -168.4121.2103.2-90.4-5.9000109
1168H30.7Very low25.8Very low139 Ų139144.4 Ų144.464%0.64469%0.69SS**  76.4129.897.4-69.218.7000112.8
1169N28.2Very low25.8Very low122 Ų122139.3 Ų139.365%0.65268%0.677SS**  cis-140.2144.47.5-88.1-25.8000109.2
1170L27.4Very low25.8Very low122 Ų122137.2 Ų137.264%0.63967%0.674SS**  59.1126.275-74.1159.1000111.2
1171Q30.5Very low25.8Very low159 Ų159136.6 Ų136.674%0.74368%0.679SS**  cis-157.9176.627.7-102.3148.8-18.500110.6
1172L27.7Very low25.9Very low132 Ų132137.3 Ų137.369%0.69169%0.686SS**  cis-144.9106.2-1.7-139131.4000106.3
1173I26.1Very low25.9Very low117 Ų117135.6 Ų135.660%0.668%0.683SS**  67.5119.4104-66.7172.7000116
1174N23.5Very low25.9Very low64 Ų64137 Ų13734%0.34269%0.69SS.*  -152130.7123.9-136.9-60.1000110.2L1279 L1280N1174-L1279 VanDerWaalsContact ND2-C 3.27Å; N1174-L1279 PolarHBondContact ND2-O 2.88Å; N1174-L1279 PolarHBondContact OD1-O 2.85Å; N1174-L1280 HydrophobicContact CB-CB 3.53Å; N1174-L1280 HydrophobicContact CB-CD1 4.19Å; N1174-L1280 HydrophobicContact CB-CD2 4.17Å; N1174-L1280 HydrophobicContact CB-CG 4.16Å; N1174-L1280 WeakPolarHBondContact OD1-CB 3.24Å; N1174-L1280 PolarHBondContact OD1-N 3.09Å
1175P28.8Very low25.9Very low87 Ų87135 Ų13557%0.56568%0.682SS**  trans-116.8159.5-161.740.7-30.8000116.3V1281P1175-V1281 VanDerWaalsContact O-CG2 3.29Å; P1175-V1281 WeakPolarHBondContact O-CG2 3.49Å
1176H23.8Very low26Very low120 Ų120132.4 Ų132.456%0.55668%0.679SS**  trans-91.8147.9165.5-98.3-78.9000112.6V1281H1176-V1281 WeakPolarHBondContact CE1-CG1 3.37Å
1177L24.8Very low26.1Very low151 Ų151132 Ų13279%0.79168%0.678SS**  trans38.7115.3143.5-63.6169.2000120.2
1178R23.3Very low26Very low225 Ų225132.1 Ų132.185%0.84968%0.679SS**  -167148.5114.8-113.6175.8-173.8-107.3-2.5113.8
1179S24.7Very low26Very low94 Ų94131.5 Ų131.566%0.65769%0.685SS**  trans-80.3152.8158.852.10000110.8
1180F23.1Very low25.9Very low176 Ų176132.3 Ų132.377%0.77269%0.689SS**  -175.7135.9127.6-107-70.6000113.7
1181V23.2Very low26.1Very low116 Ų116134.4 Ų134.470%0.70370%0.696SS**  trans-18127165.8-179.80000118.9
1182K24.5Very low25.8Very low198 Ų198132.7 Ų132.786%0.86170%0.696SS**  trans-163.4110.9136.4-129.1164.4-177169.40108.6
1183S22.6Very low26Very low82 Ų82133.6 Ų133.657%0.57370%0.7SS**  cis72.4122.645.6840000115.4
1184N24.5Very low26.1Very low160 Ų160134.2 Ų134.286%0.85671%0.705SS**  trans74.6137.3171.5-67.41.3000117.9
1185S27.1Very low26.2Very low85 Ų85138.7 Ų138.759%0.59472%0.724SS**  cis-160.6172.33.554.40000114.5
1186Q28.9Very low26Very low165 Ų165140.3 Ų140.377%0.77174%0.737SS**  trans80.5135161.2-64.5158.7-24.100116
1187N27.9Very low26.2Very low126 Ų126144.4 Ų144.467%0.67475%0.747SS**  cis-156.1130.14-111.1-16.7000115
1188N25Very low26.3Very low135 Ų135142.3 Ų142.372%0.72274%0.735SS**  trans58.9153.6137.4-69-9.9000125.6
1189T30.8Very low26.4Very low125 Ų125136.2 Ų136.277%0.76772%0.719SS**  trans76140.3162.760.20000119.4
1190N26Very low26.7Very low139 Ų139135.5 Ų135.574%0.74373%0.727SS**  cis-169.4164.3-26.5-113.9-2.5000110.8
1191Q31.7Very low26.8Very low167 Ų167132.9 Ų132.978%0.7873%0.73SS**  trans68.5136.6171.9-63.8164.8-2.100115.2
1192T24.3Very low27.2Very low123 Ų123134.9 Ų134.976%0.75574%0.735SS**  cis75.411315.579.30000118.3
1193I31Very low27.3Very low150 Ų150133 Ų13377%0.76974%0.735SS**  trans-173.9131.4137.2-96.3152.6000109.9
1194N29.1Very low27.6Very low130 Ų130132.8 Ų132.870%0.69575%0.745SS**  trans21.3159147.1-58.341.5000122.3
1195E24.6Very low27.6Very low159 Ų159132.1 Ų132.174%0.74375%0.752SS**  cis170.9139.5-30.1-111.7177.2-178.900107.8
1196S24.6Very low27.7Very low120 Ų120131.4 Ų131.484%0.83976%0.757SS**  trans66.2157.9170800000117
1197R27.7Very low27.5Very low207 Ų207136.1 Ų136.178%0.78177%0.768SS**  cis-164.413226.3-173.9-179.9175.2-173.1-1.2115
1198M28.7Very low27.5Very low106 Ų106138.8 Ų138.852%0.52278%0.776SS.*  trans54.6132.4148.4-65170.416100124.6
1199N24.8Very low27.7Very low98 Ų98138.7 Ų138.752%0.52478%0.781SS.*  trans32.4129.9132.9-77.8-11.5000123I153I153-N1199 WeakPolarHBondContact CG2-OD1 3.09Å
1200G30.2Very low27.7Very low79 Ų79138.6 Ų138.681%0.81478%0.782SS**  trans-162.6120.1145.100000110.9
1201S26.4Very low27.6Very low121 Ų121139.7 Ų139.785%0.84679%0.788SS**  trans-92.7137.1168.7-173.40000109.2
1202I31.7Very low27.6Very low158 Ų158136.9 Ų136.981%0.8179%0.787SS**  trans-162.9147.6162.2-105.1152.1000108.6
1203D25.8Very low27.8Very low159 Ų159134.5 Ų134.585%0.8579%0.787SS**  trans-72154.7-175.8-43.7-96.5000113.2
1204G28.7Very low27.6Very low77 Ų77132 Ų13279%0.79479%0.789SS**  trans-179119172.700000113.5
1205C23.9Very low27.5Very low146 Ų146129.9 Ų129.999%0.98680%0.798SS**  trans-72.5141.5175.8-57.50000111.5
1206G30.4Very low27.6Very low69 Ų69127.6 Ų127.671%0.71180%0.799SS**  trans-178.287.617400000113.6E1208G1206-E1208 PolarHBondContact O-N 3.34Å
1207W24Very low27.8Very low264 Ų264127.4 Ų127.4100%180%0.798SS**  trans-88.294.7166.9-80.994.1000109.3
1208E28.4Very low27.8Very low182 Ų182122.1 Ų122.185%0.8579%0.792SS**  trans-109.5127.6171.7-70.6-165.5134.500111.9G1206G1206-E1208 PolarHBondContact O-N 3.34Å
1209T28.2Very low27.8Very low134 Ų134123.4 Ų123.482%0.82280%0.8SS**  trans-69.3125171.527.10000111.4D1211T1209-D1211 VanDerWaalsContact C-N 3.32Å; T1209-D1211 PolarHBondContact O-N 3.28Å
1210P31.8Very low28Very low122 Ų122125.3 Ų125.379%0.79281%0.81SS**  trans-82.873.1173.834.4-35000111.3S1212P1210-S1212 PolarHBondContact O-N 2.84Å
1211D23.8Very low27.8Very low162 Ų162128.4 Ų128.487%0.86680%0.803SS**  trans-87.883.3165.7-157.33.8000109.3T1209T1209-D1211 VanDerWaalsContact C-N 3.32Å; T1209-D1211 PolarHBondContact O-N 3.28Å
1212S32.2Very low27.9Very low109 Ų109129.4 Ų129.476%0.76280%0.799SS**  trans-92.7103.8-173.5-73.30000112P1210P1210-S1212 PolarHBondContact O-N 2.84Å
1213G26.8Very low27.8Very low72 Ų72126.5 Ų126.574%0.74279%0.792SS**PPolyproline II helixtrans-62.9163.2173.600000114.5
1214A28.7Very low28Very low99 Ų99123.3 Ų123.382%0.81878%0.783SS**PPolyproline II helixtrans-75.6126.5-173.700000114
1215G26.6Very low28Very low85 Ų85127.7 Ų127.788%0.87678%0.782SS**PPolyproline II helixtrans-83.6117.1166.600000112
1216S25.4Very low28.2Very low110 Ų110127.8 Ų127.877%0.76977%0.768SS**  trans-113.6141177.6-62.30000112
1217S28.8Very low28.1Very low116 Ų116131.2 Ų131.281%0.81177%0.765SS**  trans-169.8149.4164.729.20000112.9
1218S27.6Very low28.1Very low96 Ų96125.8 Ų125.867%0.67175%0.751SS**  cis-171168.2-16.553.30000112.9
1219I29.1Very low28Very low134 Ų134124.2 Ų124.269%0.68774%0.743SS**  trans67.6107.4139.2-76.6161.7000120.2
1220N29.1Very low27.9Very low138 Ų138124 Ų12474%0.73873%0.733SS**  177.9144.8106.5-103.5-13.2000110.8
1221E26.7Very low27.6Very low143 Ų143125.1 Ų125.167%0.66873%0.727SS**  cis-168.1165.2-29-137.5-170-172.700109.7
1222L29Very low27.7Very low142 Ų142126.5 Ų126.574%0.74372%0.721SS**  trans64.8142.8157.6-61162.7000119.8
1223S28.7Very low27.3Very low97 Ų97128.2 Ų128.268%0.67872%0.716SS**  cis-165.4160.7-26.3-139.80000113.9
1224S30.2Very low27.2Very low93 Ų93132.7 Ų132.765%0.6572%0.718SS**  trans57.6108.814965.20000123.8
1225H29.3Very low27.2Very low168 Ų168133.7 Ų133.778%0.77872%0.719SS**  91.9105115.8-76.835.7000123.5
1226Q27.8Very low27.2Very low149 Ų149132.5 Ų132.570%0.69671%0.707SS**  95.9110.4103.9-154.6172.76.300122.5
1227H27.7Very low27.4Very low140 Ų140137.3 Ų137.365%0.64871%0.709SS**  trans80.3109.3142.9-82.746.7000124.5
1228Q24.6Very low27.2Very low150 Ų150138.6 Ų138.670%0.70171%0.707SS**  65.9124.5119.5-68.2-170.9-9.800124.1
1229H26Very low27.3Very low149 Ų149141.4 Ų141.469%0.6971%0.713SS**  trans90.4107.3131.1-89.5-135.6000123.4
1230H27.2Very low27.2Very low130 Ų130141.8 Ų141.860%0.60272%0.717SS**  94.7103.9123.2-91.666.3000122.9
1231Q25Very low27.2Very low145 Ų145141.2 Ų141.268%0.67872%0.72SS**  80.1114.7124-86-16537.300123.6
1232R24.8Very low27.2Very low192 Ų192139.5 Ų139.573%0.72572%0.724SS**  85.1111.3120.3-142.6-163.3-148.8-123.48.1119.3
1233Q25.2Very low27.1Very low144 Ų144140 Ų14067%0.67373%0.727SS**  170.6121.4100.7-88.4-171.98300116.8
1234Q24.3Very low27Very low166 Ų166144.3 Ų144.378%0.77673%0.734SS**  trans62.4154.3131.6-60.7-167.70.500125.6
1235S28.2Very low26.7Very low120 Ų120148 Ų14884%0.83975%0.746SS**  trans81.5131169.5-151.90000117.5
1236G26Very low26.6Very low60 Ų60145.2 Ų145.262%0.61975%0.745SS**  cis177170.2-5.900000114.6
1237Y29.4Very low26.4Very low211 Ų211143.5 Ų143.583%0.82775%0.749SS**  trans87.8103.1168.1-60.7-76.6000122.6
1238L26.1Very low26.3Very low144 Ų144142.8 Ų142.875%0.75476%0.76SS**  56.6113.1126.7-64.9175.4000122.7
1239L29.9Very low26.2Very low154 Ų154142.3 Ų142.381%0.80677%0.767SS**  -172.6169.690.5-108.1158.8000113.4
1240N26Very low26Very low142 Ų142140.2 Ų140.276%0.75977%0.769SS**  trans-73.4149.2-160.4-60.9-30.2000116.8
1241P28.2Very low26Very low126 Ų126140.1 Ų140.182%0.81878%0.784SS**  trans-90.3157.715537.3-32.4000112.2
1242S28.4Very low26Very low107 Ų107140.1 Ų140.175%0.74879%0.788SS**  trans-143.2121.1176.260.10000114
1243L25.9Very low26Very low153 Ų153138.7 Ų138.780%0.80179%0.793SS**  trans45.8112.9146.3-52.6173.3000118.6
1244F27.9Very low26Very low187 Ų187141.1 Ų141.182%0.8280%0.802SS**  -166.513682.9-112.5-80.8000113
1245L23.1Very low26Very low172 Ų172136.7 Ų136.790%0.90180%0.801SS**  trans-111.9130.9159-92.6160.8000106.9
1246S27.7Very low25.8Very low109 Ų109136.1 Ų136.176%0.76279%0.785SS**  trans-144.5109.6162.563.60000110.6
1247S22Very low25.7Very low112 Ų112142 Ų14278%0.78379%0.789SS**  trans-78.7149.9167.850.90000110.8
1248S26.7Very low25.7Very low125 Ų125140.9 Ų140.987%0.87479%0.785SS**  trans-154.9106.3160.7-83.90000110.9
1249T22.7Very low25.6Very low140 Ų140142 Ų14286%0.85979%0.786SS**  trans-98.5107.517337.10000110.4
1250S22.2Very low25.4Very low105 Ų105139.4 Ų139.473%0.73478%0.777SS**  trans173.6120.2145.951.50000112.8
1251S26.5Very low25.5Very low129 Ų129143.3 Ų143.390%0.90278%0.783SS**  trans-169.7139135.1-95.60000109.8
1252L25.1Very low25.5Very low145 Ų145140.3 Ų140.376%0.75978%0.775SS**  trans-105.9109.6173.4-78.7161.9000108L1639L1252-L1639 HydrophobicContact CD1-CD1 3.83Å
1253L25.2Very low25.5Very low161 Ų161139.7 Ų139.784%0.84376%0.76SS**  trans-171.8144.7146.9-126.763.8000111.6
1254F25.3Very low25.5Very low195 Ų195139 Ų13986%0.85576%0.756SS**  trans14.1136.5158.2-87.4-101.3000121.9
1255G23.3Very low25.5Very low73 Ų73134.5 Ų134.575%0.75374%0.739SS**  trans130.8130138.200000116.2
1256H23.7Very low25.7Very low108 Ų108131.4 Ų131.450%0.572%0.72SS.*  trans-68.5138154.8-71.3-126.6000108.6
1257Y25.5Very low25.7Very low183 Ų183131.3 Ų131.372%0.71871%0.711SS**  172.7157.1116.4-108.5-85.6000112.4
1258Y27.9Very low26Very low188 Ų188132.1 Ų132.174%0.73771%0.706SS**  trans63.6124.2167.7-66.8-67.8000121.2
1259Q25Very low26Very low167 Ų167131.6 Ų131.678%0.7870%0.698SS**  trans-126.8153.6155.1179.967.217.900106.7
1260T25.6Very low26.3Very low100 Ų100130.1 Ų130.161%0.61369%0.689SS**  trans64.1139.5177.8360000116.8
1261Y27.7Very low26.6Very low225 Ų225132.5 Ų132.588%0.88269%0.689SS**  cis-124.6177.35.8-78.4-93.8000110.8
1262G27.4Very low26.7Very low62 Ų62135.5 Ų135.564%0.63969%0.685SS**  cis-149.8-139.91.700000110.6
1263E28.4Very low26.8Very low95 Ų95132 Ų13244%0.44469%0.685SS.*  cis-159.4103.7-11-150.7-68.8137.600111.2
1264I26.8Very low27Very low139 Ų139131.5 Ų131.571%0.71368%0.683SS**  trans36176.2134-29.5-177.3000121.6
1265I28Very low27.1Very low91 Ų91129.4 Ų129.447%0.46768%0.68SS.*  trans86.9125.6157.1-68.5-174.3000116
1266Q28Very low27.6Very low108 Ų108131.3 Ų131.351%0.50568%0.679SS.*  cis-161.3175.63.5-124.9-172.82300110.4R816R816-Q1266 VanDerWaalsContact CZ-OE1 3.25Å
1267N27.5Very low27.8Very low106 Ų106133.2 Ų133.257%0.56769%0.692SS**  cis-154.7-167.43.8-162.646.3000110.6
1268N27.4Very low28Very low129 Ų129129.9 Ų129.969%0.6969%0.687SS**  trans88.1138.5158.4-57.9-17.7000115.9
1269T27.4Very low27.8Very low115 Ų115127.4 Ų127.471%0.70669%0.686SS**  cis-163162.2-16.120.70000107.4
1270T28.7Very low27.8Very low109 Ų109124.6 Ų124.667%0.66968%0.675SS**  cis-152.4159.715.2-17.40000111.7
1271H27.9Very low28Very low155 Ų155122.7 Ų122.772%0.71866%0.664SS**  trans54.1118.1149.4-82.2-38.5000123.6
1272K28.4Very low27.9Very low192 Ų192116.4 Ų116.484%0.83565%0.648SS**  trans73.8123.2140.2-60.4174.2-177.3179.70117.7
1273G28Very low27.7Very low72 Ų72120.2 Ų120.274%0.74265%0.654SS**  cis169.3174.1-8.100000115.4
1274N29.2Very low27.5Very low150 Ų150122.4 Ų122.480%0.80267%0.674SS**  trans74.886.9162.2-62.17000120.9
1275N28.3Very low27.5Very low151 Ų151123.3 Ų123.381%0.80768%0.68SS**  88.1143.4123.5-60.7-3.2000122.2
1276P33.6Very low27.3Very low113 Ų113125 Ų12573%0.73469%0.689SS**  trans-119.6-176.4-179.345-34000114.3
1277L27.8Very low27Very low147 Ų147126.2 Ų126.277%0.7770%0.699SS**  177.6150.1127.5-96.2162.4000113.5
1278D28.7Very low26.9Very low114 Ų114128.1 Ų128.161%0.6171%0.709SS**  trans48.4131.3159.9-56.1-23.6000121
1279L24.4Very low26.8Very low135 Ų135129.8 Ų129.871%0.70772%0.717SS**  54.6134.171.1-89.567.7000112.7N1174N1174-L1279 VanDerWaalsContact ND2-C 3.27Å; N1174-L1279 PolarHBondContact ND2-O 2.88Å; N1174-L1279 PolarHBondContact OD1-O 2.85Å
1280L25Very low26.8Very low108 Ų108128.7 Ų128.757%0.56571%0.712SS**  cis-147.3-15219.1-166.8113.8000111.1N1174N1174-L1280 HydrophobicContact CB-CB 3.53Å; N1174-L1280 HydrophobicContact CB-CD1 4.19Å; N1174-L1280 HydrophobicContact CB-CD2 4.17Å; N1174-L1280 HydrophobicContact CB-CG 4.16Å; N1174-L1280 WeakPolarHBondContact OD1-CB 3.24Å; N1174-L1280 PolarHBondContact OD1-N 3.09Å
1281V30.4Very low26.7Very low61 Ų61129.3 Ų129.337%0.3772%0.718SS.*  trans9177.7170.7-169.20000117.1P1175 H1176P1175-V1281 VanDerWaalsContact O-CG2 3.29Å; P1175-V1281 WeakPolarHBondContact O-CG2 3.49Å; H1176-V1281 WeakPolarHBondContact CE1-CG1 3.37Å
1282V24.1Very low26.7Very low92 Ų92128.7 Ų128.756%0.55872%0.719SS**  -0.2130.1129.2176.80000117.2
1283N23.5Very low26.5Very low143 Ų143131.8 Ų131.877%0.76573%0.726SS**  trans58.584.8160.4-61.5-12.5000118
1284T23.9Very low26.4Very low141 Ų141133.6 Ų133.687%0.86572%0.722SS**  trans-175.862.1136.519.20000113.2
1285L27Very low26.2Very low157 Ų157134 Ų13482%0.82272%0.724SS**  trans-162.7101.5156-143.280.8000110.2
1286L24.4Very low26.1Very low127 Ų127136.6 Ų136.667%0.66573%0.728SS**  trans-161.923.9179-124.7174.1000114.1F1118F1118-L1286 HydrophobicContact CE2-CB 3.6Å; F1118-L1286 HydrophobicContact CE2-CD1 3.93Å; F1118-L1286 HydrophobicContact CE2-CD2 4.22Å; F1118-L1286 HydrophobicContact CE2-CG 4.1Å; F1118-L1286 HydrophobicContact CZ-CB 3.56Å; F1118-L1286 HydrophobicContact CZ-CD1 3.93Å; F1118-L1286 HydrophobicContact CZ-CG 4.29Å
1287D21.8Very low25.7Very low133 Ų133137.9 Ų137.971%0.71173%0.734SS**SBendtrans-117.1141.7150.2-87.4-55.6000106.5
1288N24Very low25.6Very low147 Ų147140.2 Ų140.279%0.78674%0.738SS**  trans69.299.4-170.7-44.6-76.9000115.7
1289L26.6Very low25.6Very low163 Ų163141.1 Ų141.185%0.85375%0.748SS**  -162.8157.8125.7-121.478.8000109.1
1290P27.3Very low25.7Very low92 Ų92139.4 Ų139.460%0.59775%0.747SS**  trans-90168.6-163.436.2-36.5000114.8L1292P1290-L1292 PolarHBondContact O-N 3.01Å
1291P26.6Very low25.8Very low123 Ų123140.4 Ų140.480%0.79976%0.758SS**  trans-69.696.1177.129-36.3000112.8W1293P1291-W1293 PolarHBondContact O-N 3.41Å
1292L28.6Very low25.6Very low141 Ų141141.8 Ų141.874%0.73877%0.77SS**  trans-7883.5174.6-83.4168.3000112.7P1290P1290-L1292 PolarHBondContact O-N 3.01Å
1293W23.5Very low25.9Very low258 Ų258145.8 Ų145.898%0.97778%0.78SS**  trans-106.663.1155.4-95.268.7000109.3P1291P1291-W1293 PolarHBondContact O-N 3.41Å
1294T24.7Very low26Very low109 Ų109148 Ų14867%0.66978%0.779SS**  trans-15152.2-172.7-29.50000114.7
1295L26Very low26.3Very low158 Ų158149.7 Ų149.783%0.82778%0.778SS**  trans-15463.3160.9-14780.7000115.2
1296F25.7Very low26.3Very low207 Ų207145.9 Ų145.991%0.90876%0.764SS**SBendtrans-138.923.5164.5-125-77.3000115.7
1297T25.7Very low26.5Very low140 Ų140146.6 Ų146.686%0.85977%0.768SS**  trans-139.295.8174.339.30000110.8
1298K25.9Very low26.7Very low196 Ų196147.7 Ų147.785%0.85277%0.774SS**  trans-147.351.8172.6-138.5171.7-171.7175.60116.9
1299T27.5Very low27Very low132 Ų132148.6 Ų148.681%0.8178%0.778SS**  trans-143.5120.9148.447.70000106.1
1300S27.5Very low27Very low100 Ų100145.4 Ų145.470%0.69977%0.77SS**  cis-150.1145.915.1-58.50000112.7
1301T26.7Very low27Very low128 Ų128146.4 Ų146.479%0.78578%0.779SS**  trans11.1148.8134.163.70000119.4
1302S26.5Very low27.2Very low90 Ų90147.3 Ų147.363%0.62978%0.777SS**  cis-179.3151.31.839.60000106.1
1303F29.8Very low27.3Very low176 Ų176145.2 Ų145.277%0.77277%0.774SS**  -155.6162.561.9-92.5-105.5000107.9
1304Y27.2Very low27.5Very low189 Ų189138 Ų13874%0.74176%0.763SS**  32.2140.189.8-70.8-89.6000114.9
1305E30Very low27.8Very low178 Ų178140 Ų14083%0.83277%0.77SS**  cis-99.7173.321.7-124.973.717000115.9
1306S26.8Very low27.7Very low76 Ų76139.9 Ų139.953%0.53177%0.769SS.*  trans-118.2173.8170.3-59.10000110.4
1307D27.6Very low28.1Very low142 Ų142136 Ų13676%0.75976%0.764SS**  trans78121.1150.6-56.9-29.2000120.7
1308L27.3Very low28.3Very low157 Ų157132.7 Ų132.782%0.82276%0.759SS**  trans62.3109.3138.4-56.2169.6000119.1
1309D29.2Very low28.4Very low165 Ų165131.4 Ų131.488%0.88276%0.761SS**  -152.2164.391.3-119-24.2000112.1
1310S27.8Very low28.4Very low96 Ų96135 Ų13567%0.67177%0.766SS**  trans-107.8147.6-170.557.80000114.4
1311S27.3Very low28.4Very low114 Ų114137.5 Ų137.580%0.79777%0.769SS**  trans69.4160169-50.40000114.8
1312D30.3Very low28.4Very low142 Ų142139 Ų13976%0.75976%0.764SS**  cis-147.1168.113.4-155.7-4.9000112.7
1313S30.6Very low28.4Very low97 Ų97140.5 Ų140.568%0.67877%0.77SS**  trans39.4120.9156.6680000120.6
1314S27.7Very low28.4Very low107 Ų107137.1 Ų137.175%0.74876%0.764SS**  trans-60.3141.9151.549.20000112.2
1315D30.1Very low28.4Very low151 Ų151134.5 Ų134.581%0.80776%0.763SS**  -165.4176105.2-123.1-40000115.6
1316L25.7Very low28.5Very low155 Ų155134.1 Ų134.181%0.81277%0.765SS**  trans-81.8171.6-169.1-81.4165.2000115.4
1317P34.2Very low28.7Very low124 Ų124134.8 Ų134.881%0.80577%0.77SS**  trans-104.3163.4-14239.7-38.7000117.1
1318G28.6Very low29.1Very low72 Ų72136.9 Ų136.974%0.74277%0.772SS**  trans-158.8125.1164.300000112.8
1319N27.5Very low29.4Very low168 Ų168137.4 Ų137.490%0.89877%0.77SS**  trans-67.1138178-86.4-45.7000112.2
1320F27.6Very low29.5Very low207 Ų207135 Ų13591%0.90876%0.761SS**  trans-128.7131.5156.2-102.8-82.1000113.3
1321M28.1Very low29.7Very low154 Ų154137 Ų13776%0.75977%0.77SS**  trans-59.1160.4158.5-69-165.8-173.500110.7
1322K27Very low29.8Very low159 Ų159140.3 Ų140.369%0.69177%0.773SS**  cis-176.3164.2-7.6-109.3179.1176.8177.50107.1
1323T26.9Very low29.8Very low121 Ų121138.1 Ų138.174%0.74277%0.768SS**  trans64160.5147.748.30000118.8
1324T29.8Very low29.8Very low106 Ų106142.2 Ų142.265%0.6578%0.776SS**  cis-157.5148.2-1.17.60000112.4
1325D27.4Very low30.4Very low134 Ų134141.6 Ų141.672%0.71777%0.769SS**  trans47139.1131.7-56.41.4000126.2
1326L31.6Very low30.4Very low169 Ų169142.8 Ų142.889%0.88577%0.77SS**  -139.4102.1128.8-86.2108000108.6
1327S30.4Very low30.6Very low91 Ų91143.1 Ų143.164%0.63677%0.767SS**  90.4128.859.876.10000115.1
1328K36.9Very low30.5Very low186 Ų186145.2 Ų145.281%0.80977%0.766SS**  trans179.6113.8146.7-103.5173.6-176.5175.60112.8
1329H32.2Very low30.3Very low168 Ų168148.5 Ų148.578%0.77876%0.762SS**  trans54.3142.6149.6-60.3-63.5000120.3
1330T32.2Very low30.3Very low113 Ų113145.9 Ų145.969%0.69374%0.744SS**  cis-158.1168.18-10.10000112.9
1331T31.8Very low30.4Very low139 Ų139142.7 Ų142.785%0.85373%0.732SS**  trans73.6150.7157.345.60000119.7
1332H30.1Very low30.4Very low184 Ų184144.1 Ų144.185%0.85274%0.737SS**  trans-131.7162.9-163.1-103.2-83000112.2
1333S30Very low30.5Very low95 Ų95140.7 Ų140.766%0.66472%0.723SS**  trans67.4124.6145.266.30000121
1334H30.7Very low30.4Very low183 Ų183141.1 Ų141.185%0.84772%0.717SS**  -149.4158.9106.6-112.455.3000112.4
1335P39.5Very low30.5Very low94 Ų94144.2 Ų144.261%0.6172%0.723SS**  trans-131.6177.8-16043.2-27000116.6
1336H29.9Very low30.3Very low177 Ų177146.1 Ų146.182%0.81973%0.728SS**  trans57.5126.4153.2-89-76.9000122.6
1337H30.3Very low30.7Very low161 Ų161142.9 Ų142.975%0.74572%0.717SS**  trans-30.4139162.7-71.1-84.6000119.1
1338H31.8Very low30.5Very low168 Ų168146.3 Ų146.378%0.77872%0.723SS**  -142.1145.7106.7-89-34000108
1339Q25.5Very low30.1Very low141 Ų141144.5 Ų144.566%0.65972%0.717SS**  5714263.9-82.1-169.78.500112.6
1340Q27.2Very low29.9Very low114 Ų114143.8 Ų143.853%0.53371%0.714SS.*  cis-134.2-1770.6-103.915677.600107.5
1341Q29.4Very low29.6Very low140 Ų140146.1 Ų146.165%0.65472%0.717SS**  cis-155.3176.412.2-130.8141.8-12.800106.6Q1343Q1341-Q1343 HydrophobicContact CG-CB 4.26Å; Q1341-Q1343 HydrophobicContact CG-CG 3.9Å
1342E28.1Very low29.4Very low184 Ų184147.1 Ų147.186%0.8671%0.712SS**  cis-107.4149-4.7-56.1168.5110.300108.3
1343Q28.4Very low29.3Very low87 Ų87143 Ų14341%0.40770%0.703SS.*  cis71.9145.130.4-60.5-168-14.900114.8Q1341Q1341-Q1343 HydrophobicContact CG-CB 4.26Å; Q1341-Q1343 HydrophobicContact CG-CG 3.9Å
1344Q25.8Very low29.2Very low129 Ų129145.6 Ų145.660%0.60371%0.71SS**  cis-155.1157.9-17.1-109.3166.311.500105.7
1345H30.6Very low29.2Very low171 Ų171141.3 Ų141.379%0.79270%0.7SS**  -178.1160.480-101.9-78.7000113.5
1346H24.8Very low28.8Very low175 Ų175141.7 Ų141.781%0.8171%0.705SS**  trans-93.8178.1163.1-102.6-18.7000110.2
1347P39.3Very low28.9Very low100 Ų100139.8 Ų139.865%0.64970%0.699SS**  cis-141.8-162.2-20.136.9-15000114.3
1348Q26.5Very low28.8Very low163 Ų163141 Ų14176%0.76271%0.705SS**  trans90.2129.8144.4-87.9-178.2-11.900123.9
1349Q27.7Very low28.8Very low149 Ų149136.1 Ų136.170%0.69670%0.701SS**  trans75.9123.2144.4-70-171.88.300124.1
1350Q27.8Very low28.9Very low152 Ų152137.9 Ų137.971%0.7171%0.709SS**  trans64.8131.3139-67.1-178.8-11.400122
1351Q27.2Very low29Very low162 Ų162138.9 Ų138.976%0.75772%0.717SS**  trans48.5135.1138.6-62.9172.7-7.900118.8
1352Q27.2Very low28.7Very low161 Ų161135.6 Ų135.675%0.75270%0.704SS**  cis-164.2165.420.8-137.8171.7-6.600111
1353C27.6Very low28.9Very low96 Ų96132.2 Ų132.265%0.64970%0.697SS**  trans65.7118.6158.2-59.50000121.4
1354N28.8Very low28.7Very low151 Ų151132.2 Ų132.281%0.80770%0.697SS**  58.9144126.7-58.52.3000121.7
1355S30.3Very low28.8Very low93 Ų93133.1 Ų133.165%0.6571%0.706SS**  cis-175.5155.8-11.2490000112.2
1356S30.4Very low28.7Very low102 Ų102130.8 Ų130.871%0.71371%0.706SS**  trans72.7152.8148.1-64.90000119.8
1357I31.5Very low29Very low137 Ų137127.4 Ų127.470%0.70370%0.699SS**  cis-158.1148.1-13.1-115.2165.7000110.6
1358H29.5Very low28.3Very low185 Ų185130 Ų13086%0.85671%0.706SS**  trans43160.7161-70-41.1000122.3
1359G31.1Very low28.2Very low67 Ų67126.8 Ų126.869%0.69170%0.702SS**  cis-162.8169.82.600000112.5
1360Q27.9Very low28Very low178 Ų178125.2 Ų125.283%0.83271%0.707SS**  trans-154.8144.6-159.2-172-175.834.100111.4
1361L29.6Very low27.8Very low135 Ų135125.7 Ų125.771%0.70771%0.709SS**  160.1145.2129.3-86.2162.1000116.2
1362L23.5Very low27.7Very low71 Ų71124.8 Ų124.837%0.37271%0.705SS.*  trans-138150.8148.2-170.186.3000106.1
1363P32.4Very low27.5Very low112 Ų112124.3 Ų124.373%0.72770%0.703SS**  -146.7-151.5116.537-18.4000114.1
1364Q24.5Very low27.4Very low87 Ų87126.6 Ų126.641%0.40770%0.704SS.*  trans-129.2179.7-151.5-70.415327.200115.9S587 H588S587-Q1364 PolarHBondContact O-NE2 3.39Å; H588-Q1364 PolarHBondContact CE1-OE1 3.23Å; H588-Q1364 VanDerWaalsContact N-NE2 3.17Å; H588-Q1364 VanDerWaalsContact ND1-CD 3.31Å; H588-Q1364 PolarHBondContact ND1-OE1 2.75Å
1365L27.3Very low27.2Very low148 Ų148124.1 Ų124.178%0.77569%0.688SS**  trans-43.5158.1169.3-78.964.6000115.6
1366P27.5Very low27Very low123 Ų123127.4 Ų127.480%0.79969%0.693SS**  -140.6176.6107.636.7-22.7000115.5
1367P31.4Very low26.7Very low103 Ų103131 Ų13167%0.66970%0.698SS**  trans-123.1162.6-170.242-29.9000117.7
1368I24.3Very low26.6Very low155 Ų155129.7 Ų129.780%0.79570%0.699SS**  trans48112.4146.5-55.9159.4000117.7
1369S24.3Very low26.5Very low96 Ų96128 Ų12867%0.67170%0.696SS**  178.5152.186.3-57.50000113.6
1370S24.2Very low26.2Very low115 Ų115130.2 Ų130.280%0.80470%0.701SS**  trans59.4160.7153.546.60000119
1371Q24.3Very low26.2Very low162 Ų162130.2 Ų130.276%0.75770%0.7SS**  cis-151.1151.7-0.5-139.6177-15.500111.8
1372Q24.1Very low26Very low143 Ų143128.8 Ų128.867%0.66870%0.702SS**  trans31147.7145.7-84.1-17010.400126.2
1373Q23.9Very low26.4Very low151 Ų151132.2 Ų132.271%0.70672%0.719SS**  trans72.7149.9146.4-75.9-171.772.600119.1
1374Q24.1Very low26.1Very low145 Ų145133.7 Ų133.768%0.67872%0.716SS**  cis-163166.6-26.9-152.4-172.687.300110.8
1375Q25.5Very low26.2Very low99 Ų99137.7 Ų137.746%0.46374%0.74SS.*  trans86.4118163.4-54.5-171.915.300120.5
1376Q25.4Very low26.3Very low162 Ų162133.9 Ų133.976%0.75773%0.725SS**  39.7128.2124.5-52175.330.700118.4
1377Q25.2Very low26.8Very low178 Ų178136.1 Ų136.183%0.83273%0.73SS**  -140.2173.651.5-100.1-151.945.200114.7
1378P28.5Very low27.2Very low109 Ų109139.9 Ų139.971%0.70873%0.731SS**  trans-87.5135.4-156.933.3-34.6000114.7
1379N26.9Very low29Very low149 Ų149134.7 Ų134.780%0.79771%0.709SS**  trans-124.1160.8160.6-95.4-41.8000111H1381N1379-H1381 PolarHBondContact O-N 3.31Å; N1379-H1381 VanDerWaalsContact O-N 3.15Å
1380S25.5Very low30Very low114 Ų114137.6 Ų137.680%0.79771%0.705SS**  trans-68.3102.4-171.937.80000113.2S1382S1380-S1382 PolarHBondContact O-N 2.76Å
1381H28.6Very low31.4Very low177 Ų177137.6 Ų137.682%0.81970%0.695SS**  trans-89.3103168-79.7-55.5000112N1379N1379-H1381 PolarHBondContact O-N 3.31Å; N1379-H1381 VanDerWaalsContact O-N 3.15Å
1382S24.8Very low33.1Very low106 Ų106133.7 Ų133.774%0.74168%0.677SS**  trans-58128.4148.344.90000108.9S1380 Q1384S1380-S1382 PolarHBondContact O-N 2.76Å; S1382-Q1384 PolarHBondContact O-N 2.93Å
1383I32.1Very low34.5Very low143 Ų143130.4 Ų130.473%0.73366%0.662SS**  trans-81.190-176.6-60.9179.6000109L1385I1383-L1385 PolarHBondContact O-N 3.44Å
1384Q26.4Very low36.2Very low143 Ų143130.6 Ų130.667%0.66866%0.656SS**  trans-71.4116.3173-128.1178.98.300110S1382 S1386S1382-Q1384 PolarHBondContact O-N 2.93Å; Q1384-S1386 PolarHBondContact O-N 3.44Å
1385L26.4Very low38.2Very low171 Ų171127.7 Ų127.790%0.89564%0.641SS**  trans-7557.6177.8-79.4165.8000112.1I1383I1383-L1385 PolarHBondContact O-N 3.44Å
1386S30Very low39.9Very low67 Ų67127.1 Ų127.147%0.46964%0.641SS.*  trans-153.183.1-172.853.90000113.4Q1384Q1384-S1386 PolarHBondContact O-N 3.44Å
1387N36.6Very low41.8Very low170 Ų170123.8 Ų123.891%0.90962%0.621SS**  trans-147.264.3159.9-98.8-36.2000110.8
1388W40.6Very low44.1Very low183 Ų183120 Ų12069%0.69361%0.605SS**  trans-102.2134.3153.2-7184000106.5E1392 L1396W1388-E1392 HydrophobicContact CE3-CB 4.01Å; W1388-L1396 HydrophobicContact CE3-CD1 3.87Å; W1388-L1396 HydrophobicContact CH2-CD1 3.87Å; W1388-L1396 HydrophobicContact CZ3-CD1 3.44Å; W1388-L1396 VanDerWaalsContact CZ3-CD1 3.44Å
1389S60.9Low46.1Very low45 Ų45117.9 Ų117.932%0.31559%0.588SS.*  trans-68.2150.8176.382.90000110.9L1391 E1392 E1393S1389-L1391 PolarHBondContact O-N 2.79Å; S1389-L1391 PolarHBondContact OG-N 3Å; S1389-E1392 WeakPolarHBondContact CB-OE1 3.45Å; S1389-E1392 PolarHBondContact N-OE2 3.48Å; S1389-E1392 PolarHBondContact O-N 2.93Å; S1389-E1392 PolarHBondContact OG-N 2.87Å; S1389-E1392 PolarHBondContact OG-OE1 2.77Å; S1389-E1393 PolarHBondContact O-N 3.29Å
1390R46Very low47.9Very low157 Ų157118.2 Ų118.259%0.59258%0.579SS**THydrogen-bonded Turntrans-62.6-8.2175.3-154.1174.6-171167.24.8112.7
1391L54.5Low49.5Very low116 Ų116120.2 Ų120.261%0.60757%0.57SS**THydrogen-bonded Turntrans-91.2-45.1171-176.562.4000111.9S1389 E1393 R1394 K1395S1389-L1391 PolarHBondContact O-N 2.79Å; S1389-L1391 PolarHBondContact OG-N 3Å; L1391-E1393 VanDerWaalsContact C-N 3.34Å; L1391-E1393 PolarHBondContact O-N 3.29Å; L1391-R1394 CarbonylContact O-C 3.59Å; L1391-R1394 WeakPolarHBondContact O-CB 3.44Å; L1391-R1394 PolarHBondContact O-N 3.03Å; L1391-K1395 PolarHBondContact O-N 3.45Å
1392E58.3Low51Low80 Ų80116 Ų11637%0.37455%0.551SS.*Hα-helixtrans-60.5-42.6172.3-73.5127.8-12300111.8W1388 S1389 R1394 K1395 L1396W1388-E1392 HydrophobicContact CE3-CB 4.01Å; S1389-E1392 WeakPolarHBondContact CB-OE1 3.45Å; S1389-E1392 PolarHBondContact N-OE2 3.48Å; S1389-E1392 PolarHBondContact O-N 2.93Å; S1389-E1392 PolarHBondContact OG-N 2.87Å; S1389-E1392 PolarHBondContact OG-OE1 2.77Å; E1392-R1394 PolarHBondContact O-N 2.88Å; E1392-K1395 WeakPolarHBondContact O-CB 3.27Å; E1392-K1395 PolarHBondContact O-N 2.94Å; E1392-L1396 WeakPolarHBondContact O-CB 3.36Å; E1392-L1396 PolarHBondContact O-N 2.93Å
1393E53.4Low52.9Low74 Ų74115.8 Ų115.835%0.34654%0.541SS..Hα-helixtrans-60.3-37176.5-159.2-150143.600111.1S1389 L1391 R1397S1389-E1393 PolarHBondContact O-N 3.29Å; L1391-E1393 VanDerWaalsContact C-N 3.34Å; L1391-E1393 PolarHBondContact O-N 3.29Å; E1393-R1397 WeakPolarHBondContact O-CB 3.38Å; E1393-R1397 VanDerWaalsContact O-CG 3.26Å; E1393-R1397 WeakPolarHBondContact O-CG 3.33Å; E1393-R1397 PolarHBondContact O-N 3.05Å; E1393-R1397 IonicContact OE1-CZ 3.85Å; E1393-R1397 IonicContact OE1-NE 3.35Å; E1393-R1397 PolarHBondContact OE1-NE 3.44Å; E1393-R1397 IonicContact OE1-NH2 2.78Å; E1393-R1397 PolarHBondContact OE1-NH2 3.34Å
1394R61.6Low54.9Low155 Ų155111.7 Ų111.759%0.58552%0.52SS*.Hα-helixtrans-69.8-44.5173.1-86-178.1156.8119.2-6.7112.4L1391 E1392 L1396 R1397 I1398L1391-R1394 CarbonylContact O-C 3.59Å; L1391-R1394 WeakPolarHBondContact O-CB 3.44Å; L1391-R1394 PolarHBondContact O-N 3.03Å; E1392-R1394 PolarHBondContact O-N 2.88Å; R1394-L1396 VanDerWaalsContact C-N 3.34Å; R1394-L1396 PolarHBondContact O-N 2.82Å; R1394-R1397 PolarHBondContact O-N 3.35Å; R1394-I1398 VanDerWaalsContact O-CG1 3.28Å; R1394-I1398 WeakPolarHBondContact O-CG1 2.96Å; R1394-I1398 PolarHBondContact O-N 2.88Å
1395K64.2Low56.6Low84 Ų84110.4 Ų110.437%0.36551%0.514SS..Hα-helixtrans-54.8-50.2172.7-75.2-176177.1-172.20110.3E346 L1391 E1392 R1397 I1398 I1399E346-K1395 VanDerWaalsContact CD-NZ 3.33Å; E346-K1395 IonicContact OE1-NZ 2.71Å; E346-K1395 PolarHBondContact OE1-NZ 3.41Å; E346-K1395 IonicContact OE2-NZ 3.35Å; E346-K1395 PolarHBondContact OE2-NZ 3.3Å; L1391-K1395 PolarHBondContact O-N 3.45Å; E1392-K1395 WeakPolarHBondContact O-CB 3.27Å; E1392-K1395 PolarHBondContact O-N 2.94Å; K1395-R1397 PolarHBondContact O-N 2.86Å; K1395-I1398 PolarHBondContact O-N 3.5Å; K1395-I1399 VanDerWaalsContact O-CG1 3.32Å; K1395-I1399 WeakPolarHBondContact O-CG1 3.3Å; K1395-I1399 PolarHBondContact O-N 2.78Å
1396L63Low58.4Low86 Ų86107.7 Ų107.745%0.4550%0.496SS..Hα-helixtrans-61.3-44177.9-91.8167.4000112.8W1388 E1392 R1394 I1398 I1399 Y1400W1388-L1396 HydrophobicContact CE3-CD1 3.87Å; W1388-L1396 HydrophobicContact CH2-CD1 3.87Å; W1388-L1396 HydrophobicContact CZ3-CD1 3.44Å; W1388-L1396 VanDerWaalsContact CZ3-CD1 3.44Å; E1392-L1396 WeakPolarHBondContact O-CB 3.36Å; E1392-L1396 PolarHBondContact O-N 2.93Å; R1394-L1396 VanDerWaalsContact C-N 3.34Å; R1394-L1396 PolarHBondContact O-N 2.82Å; L1396-I1398 PolarHBondContact O-N 3.45Å; L1396-I1399 PolarHBondContact O-N 3.04Å; L1396-Y1400 WeakPolarHBondContact O-CB 3.41Å; L1396-Y1400 PolarHBondContact O-N 2.9Å
1397R65Low59.7Low93 Ų93112 Ų11235%0.35150%0.503SS..Hα-helixtrans-61.1-42.5174.5-75.8174.2-175.1-100.96.1111.6E1393 R1394 K1395 Y1400 Y1401E1393-R1397 WeakPolarHBondContact O-CB 3.38Å; E1393-R1397 VanDerWaalsContact O-CG 3.26Å; E1393-R1397 WeakPolarHBondContact O-CG 3.33Å; E1393-R1397 PolarHBondContact O-N 3.05Å; E1393-R1397 IonicContact OE1-CZ 3.85Å; E1393-R1397 IonicContact OE1-NE 3.35Å; E1393-R1397 PolarHBondContact OE1-NE 3.44Å; E1393-R1397 IonicContact OE1-NH2 2.78Å; E1393-R1397 PolarHBondContact OE1-NH2 3.34Å; R1394-R1397 PolarHBondContact O-N 3.35Å; K1395-R1397 PolarHBondContact O-N 2.86Å; R1397-Y1400 PolarHBondContact O-N 3.45Å; R1397-Y1401 WeakPolarHBondContact O-CD2 3.46Å; R1397-Y1401 PolarHBondContact O-N 3Å
1398I72.3Confident60.8Low97 Ų97110.3 Ų110.350%0.49749%0.488SS..Hα-helixtrans-63.2-49.1177.1-69.2163.6000110.8R1394 K1395 L1396 Y1400 Y1401 Q1402R1394-I1398 VanDerWaalsContact O-CG1 3.28Å; R1394-I1398 WeakPolarHBondContact O-CG1 2.96Å; R1394-I1398 PolarHBondContact O-N 2.88Å; K1395-I1398 PolarHBondContact O-N 3.5Å; L1396-I1398 PolarHBondContact O-N 3.45Å; I1398-Y1400 VanDerWaalsContact C-N 3.31Å; I1398-Y1400 PolarHBondContact O-N 3.39Å; I1398-Y1401 PolarHBondContact O-N 3Å; I1398-Q1402 HydrophobicContact CG2-CG 4.47Å; I1398-Q1402 WeakPolarHBondContact O-CB 3.48Å; I1398-Q1402 WeakPolarHBondContact O-CG 3.31Å; I1398-Q1402 PolarHBondContact O-N 2.92Å
1399I71.2Confident61.7Low65 Ų65108.7 Ų108.733%0.33348%0.482SS..Hα-helixtrans-60.1-41.6177.1-68.3164.6000110.8L349 K1395 L1396 Q1402 L1403L349-I1399 HydrophobicContact CD2-CD1 4.46Å; K1395-I1399 VanDerWaalsContact O-CG1 3.32Å; K1395-I1399 WeakPolarHBondContact O-CG1 3.3Å; K1395-I1399 PolarHBondContact O-N 2.78Å; L1396-I1399 PolarHBondContact O-N 3.04Å; I1399-Q1402 PolarHBondContact O-N 3.01Å; I1399-L1403 HydrophobicContact CG2-CD1 3.85Å; I1399-L1403 WeakPolarHBondContact O-CD1 3.44Å; I1399-L1403 PolarHBondContact O-N 2.86Å
1400Y65.1Low61Low157 Ų157111.7 Ų111.762%0.61649%0.493SS*.Hα-helixtrans-64.7-41.9176.9-174.6-109.7000112.5L1396 R1397 I1398 L1403 I1404L1396-Y1400 WeakPolarHBondContact O-CB 3.41Å; L1396-Y1400 PolarHBondContact O-N 2.9Å; R1397-Y1400 PolarHBondContact O-N 3.45Å; I1398-Y1400 VanDerWaalsContact C-N 3.31Å; I1398-Y1400 PolarHBondContact O-N 3.39Å; Y1400-L1403 PolarHBondContact O-N 3.47Å; Y1400-I1404 HydrophobicContact CD1-CD1 3.8Å; Y1400-I1404 HydrophobicContact CE1-CD1 3.4Å; Y1400-I1404 HydrophobicContact CE2-CD1 4.29Å; Y1400-I1404 HydrophobicContact CG-CD1 4.41Å; Y1400-I1404 WeakPolarHBondContact O-CB 3.35Å; Y1400-I1404 WeakPolarHBondContact O-CG1 3.28Å; Y1400-I1404 PolarHBondContact O-N 3.29Å
1401Y58.4Low61Low155 Ų155108.9 Ų108.961%0.60849%0.487SS*.Hα-helixtrans-65.8-39.2172.6-78-58.4000112.4R1397 I1398 I1404 H1405R1397-Y1401 WeakPolarHBondContact O-CD2 3.46Å; R1397-Y1401 PolarHBondContact O-N 3Å; I1398-Y1401 PolarHBondContact O-N 3Å; Y1401-I1404 PolarHBondContact O-N 3.19Å; Y1401-H1405 WeakPolarHBondContact O-CB 3.29Å; Y1401-H1405 PolarHBondContact O-N 2.7Å
1402Q61.1Low60.6Low89 Ų89106.2 Ų106.242%0.41648%0.478SS..Hα-helixtrans-64.2-42.3174.7-73.9175.3-12.400111.9I1398 I1399 H1405 H1406I1398-Q1402 HydrophobicContact CG2-CG 4.47Å; I1398-Q1402 WeakPolarHBondContact O-CB 3.48Å; I1398-Q1402 WeakPolarHBondContact O-CG 3.31Å; I1398-Q1402 PolarHBondContact O-N 2.92Å; I1399-Q1402 PolarHBondContact O-N 3.01Å; Q1402-H1405 PolarHBondContact O-N 3.13Å; Q1402-H1406 PolarHBondContact O-N 3.3Å
1403L64Low60Low101 Ų101108.4 Ų108.453%0.52949%0.49SS..Hα-helixtrans-64.4-41.2173.1-99.787.2000112.2I1399 Y1400 H1405 H1406 Y1407I1399-L1403 HydrophobicContact CG2-CD1 3.85Å; I1399-L1403 WeakPolarHBondContact O-CD1 3.44Å; I1399-L1403 PolarHBondContact O-N 2.86Å; Y1400-L1403 PolarHBondContact O-N 3.47Å; L1403-H1405 VanDerWaalsContact C-N 3.31Å; L1403-H1405 PolarHBondContact O-N 3.2Å; L1403-H1406 PolarHBondContact O-N 2.97Å; L1403-Y1407 VanDerWaalsContact O-CB 3.25Å; L1403-Y1407 WeakPolarHBondContact O-CB 3.5Å; L1403-Y1407 PolarHBondContact O-N 3.42Å
1404I73.8Confident59.4Low58 Ų58111.4 Ų111.430%0.29751%0.507SS..Hα-helixtrans-63.8-38.9174.7-74.7171.8000110.9Y1400 Y1401 Y1407 K1408Y1400-I1404 HydrophobicContact CD1-CD1 3.8Å; Y1400-I1404 HydrophobicContact CE1-CD1 3.4Å; Y1400-I1404 HydrophobicContact CE2-CD1 4.29Å; Y1400-I1404 HydrophobicContact CG-CD1 4.41Å; Y1400-I1404 WeakPolarHBondContact O-CB 3.35Å; Y1400-I1404 WeakPolarHBondContact O-CG1 3.28Å; Y1400-I1404 PolarHBondContact O-N 3.29Å; Y1401-I1404 PolarHBondContact O-N 3.19Å; I1404-Y1407 PolarHBondContact O-N 2.94Å; I1404-K1408 HydrophobicContact CG2-CD 4.26Å; I1404-K1408 WeakPolarHBondContact O-CB 3.48Å; I1404-K1408 WeakPolarHBondContact O-CG 3.49Å; I1404-K1408 PolarHBondContact O-N 2.61Å
1405H63Low58.4Low116 Ų116109.7 Ų109.754%0.53751%0.509SS..Hα-helixtrans-66.7-44.7176-173.5-96.5000111.7Y1401 Q1402 L1403 K1408 R1409Y1401-H1405 WeakPolarHBondContact O-CB 3.29Å; Y1401-H1405 PolarHBondContact O-N 2.7Å; Q1402-H1405 PolarHBondContact O-N 3.13Å; L1403-H1405 VanDerWaalsContact C-N 3.31Å; L1403-H1405 PolarHBondContact O-N 3.2Å; H1405-K1408 PolarHBondContact O-N 3.14Å; H1405-R1409 VanDerWaalsContact O-CB 3.3Å; H1405-R1409 WeakPolarHBondContact O-CB 3.41Å; H1405-R1409 PolarHBondContact O-N 2.98Å
1406H62.6Low57.1Low114 Ų114112.2 Ų112.253%0.52853%0.526SS..Hα-helixtrans-62.9-42.8173.2-99.8-95.9000112.4Q1402 L1403 R1409 L1410Q1402-H1406 PolarHBondContact O-N 3.3Å; L1403-H1406 PolarHBondContact O-N 2.97Å; H1406-R1409 PolarHBondContact O-N 3.46Å; H1406-L1410 WeakPolarHBondContact O-CB 3.49Å; H1406-L1410 VanDerWaalsContact O-CG 3.3Å; H1406-L1410 WeakPolarHBondContact O-CG 3.31Å; H1406-L1410 PolarHBondContact O-N 2.89Å
1407Y57.4Low55.6Low156 Ų156114.2 Ų114.261%0.61254%0.535SS*.Hα-helixtrans-63.1-44.3175.9-179-88.7000111.6L1403 I1404 L1410 Q1411L1403-Y1407 VanDerWaalsContact O-CB 3.25Å; L1403-Y1407 WeakPolarHBondContact O-CB 3.5Å; L1403-Y1407 PolarHBondContact O-N 3.42Å; I1404-Y1407 PolarHBondContact O-N 2.94Å; Y1407-L1410 PolarHBondContact O-N 2.86Å; Y1407-Q1411 WeakPolarHBondContact O-CB 3.37Å; Y1407-Q1411 PolarHBondContact O-N 3.41Å
1408K60.8Low54Low136 Ų136115.3 Ų115.359%0.59155%0.554SS**Hα-helixtrans-63-40.1174.4-80.3-178.3171.2-174.10112.2I1404 H1405 Q1411 S1412I1404-K1408 HydrophobicContact CG2-CD 4.26Å; I1404-K1408 WeakPolarHBondContact O-CB 3.48Å; I1404-K1408 WeakPolarHBondContact O-CG 3.49Å; I1404-K1408 PolarHBondContact O-N 2.61Å; H1405-K1408 PolarHBondContact O-N 3.14Å; K1408-Q1411 PolarHBondContact O-N 2.97Å; K1408-S1412 PolarHBondContact O-N 3.35Å; K1408-S1412 PolarHBondContact O-OG 2.81Å
1409R59.3Low52Low149 Ų149114.6 Ų114.656%0.56255%0.551SS**Hα-helixtrans-69.2-39.8177.8-170.6177.2-174.6178.54.5112.4H1405 H1406 S1412 M1413H1405-R1409 VanDerWaalsContact O-CB 3.3Å; H1405-R1409 WeakPolarHBondContact O-CB 3.41Å; H1405-R1409 PolarHBondContact O-N 2.98Å; H1406-R1409 PolarHBondContact O-N 3.46Å; R1409-S1412 WeakPolarHBondContact CA-OG 3.37Å; R1409-S1412 PolarHBondContact O-N 2.91Å; R1409-S1412 PolarHBondContact O-OG 3.33Å; R1409-M1413 HydrophobicContact CG-SD 4.41Å; R1409-M1413 WeakPolarHBondContact O-CB 3.32Å; R1409-M1413 VanDerWaalsContact O-CG 3.27Å; R1409-M1413 WeakPolarHBondContact O-CG 3.49Å; R1409-M1413 PolarHBondContact O-N 2.95Å
1410L46.9Very low50.1Low107 Ų107116.9 Ų116.956%0.5657%0.57SS**Hα-helixtrans-64.2-42.2170.2-74.1167.9000110.6H1406 Y1407 S1412 M1413 L1414H1406-L1410 WeakPolarHBondContact O-CB 3.49Å; H1406-L1410 VanDerWaalsContact O-CG 3.3Å; H1406-L1410 WeakPolarHBondContact O-CG 3.31Å; H1406-L1410 PolarHBondContact O-N 2.89Å; Y1407-L1410 PolarHBondContact O-N 2.86Å; L1410-S1412 PolarHBondContact O-N 3.21Å; L1410-M1413 PolarHBondContact O-N 3.47Å; L1410-L1414 WeakPolarHBondContact O-CB 3.28Å; L1410-L1414 PolarHBondContact O-N 3.1Å
1411Q44.4Very low48.2Very low98 Ų98118.5 Ų118.546%0.45858%0.577SS.*Hα-helixtrans-63.6-39.7177-174.2176.8-6.400112.2Y1407 K1408 L1414 I1415Y1407-Q1411 WeakPolarHBondContact O-CB 3.37Å; Y1407-Q1411 PolarHBondContact O-N 3.41Å; K1408-Q1411 PolarHBondContact O-N 2.97Å; Q1411-L1414 PolarHBondContact O-N 3.01Å; Q1411-I1415 HydrophobicContact CG-CD1 4.32Å; Q1411-I1415 WeakPolarHBondContact O-CD1 3.49Å; Q1411-I1415 VanDerWaalsContact O-CG1 3.28Å; Q1411-I1415 WeakPolarHBondContact O-CG1 3.4Å; Q1411-I1415 PolarHBondContact O-N 3.1Å
1412S47.7Very low46.7Very low61 Ų61118.6 Ų118.643%0.42758%0.582SS.*Hα-helixtrans-67.9-41.9173.459.50000112K1408 R1409 L1410 L1414 I1415K1408-S1412 PolarHBondContact O-N 3.35Å; K1408-S1412 PolarHBondContact O-OG 2.81Å; R1409-S1412 WeakPolarHBondContact CA-OG 3.37Å; R1409-S1412 PolarHBondContact O-N 2.91Å; R1409-S1412 PolarHBondContact O-OG 3.33Å; L1410-S1412 PolarHBondContact O-N 3.21Å; S1412-L1414 PolarHBondContact O-N 3.35Å; S1412-I1415 PolarHBondContact O-N 3.41Å
1413M44.4Very low45.1Very low126 Ų126122.5 Ų122.562%0.62161%0.606SS**Hα-helixtrans-65-19.7174.3-70.5175.367.100113.5R1409 L1410R1409-M1413 HydrophobicContact CG-SD 4.41Å; R1409-M1413 WeakPolarHBondContact O-CB 3.32Å; R1409-M1413 VanDerWaalsContact O-CG 3.27Å; R1409-M1413 WeakPolarHBondContact O-CG 3.49Å; R1409-M1413 PolarHBondContact O-N 2.95Å; L1410-M1413 PolarHBondContact O-N 3.47Å
1414L40.5Very low43.5Very low136 Ų136123.8 Ų123.871%0.71262%0.617SS**THydrogen-bonded Turntrans-91.7-5.7175-144.274.4000113.4L1410 Q1411 S1412L1410-L1414 WeakPolarHBondContact O-CB 3.28Å; L1410-L1414 PolarHBondContact O-N 3.1Å; Q1411-L1414 PolarHBondContact O-N 3.01Å; S1412-L1414 PolarHBondContact O-N 3.35Å
1415I41.8Very low41.1Very low119 Ų119127.6 Ų127.661%0.6164%0.637SS**THydrogen-bonded Turntrans-86.5-27.6178.4-79.2164.2000111.8Q1411 S1412 M1417Q1411-I1415 HydrophobicContact CG-CD1 4.32Å; Q1411-I1415 WeakPolarHBondContact O-CD1 3.49Å; Q1411-I1415 VanDerWaalsContact O-CG1 3.28Å; Q1411-I1415 WeakPolarHBondContact O-CG1 3.4Å; Q1411-I1415 PolarHBondContact O-N 3.1Å; S1412-I1415 PolarHBondContact O-N 3.41Å; I1415-M1417 PolarHBondContact O-N 2.92Å
1416D36.6Very low39.5Very low138 Ų138128 Ų12874%0.73865%0.649SS**SBendtrans-79.816.3175.3-65.5-34.5000114
1417M31.7Very low37.8Very low128 Ų128129 Ų12963%0.63166%0.659SS**SBendtrans-104.9124.9173.2-77.3-85.281.200111.1I1415 N1419I1415-M1417 PolarHBondContact O-N 2.92Å; M1417-N1419 PolarHBondContact O-N 2.87Å
1418P31.9Very low36.3Very low115 Ų115128.9 Ų128.975%0.74767%0.669SS**  trans-56.7130.4175-26.635.7000112.5
1419N29.9Very low34.7Very low83 Ų83128 Ų12844%0.44468%0.675SS.*  trans-27.7108.3178.8175.628.8000115.6M1417 Y1421M1417-N1419 PolarHBondContact O-N 2.87Å; N1419-Y1421 PolarHBondContact O-N 2.96Å; N1419-Y1421 VanDerWaalsContact O-N 3.14Å; N1419-Y1421 WeakPolarHBondContact OD1-CB 3.41Å; N1419-Y1421 PolarHBondContact OD1-N 3.5Å
1420P30.2Very low33.2Very low113 Ų113127.8 Ų127.873%0.73469%0.691SS**THydrogen-bonded Turntrans-74.11.2177.530.2-35.4000114.3
1421Y26.6Very low32.3Very low191 Ų191127.9 Ų127.975%0.74970%0.696SS**THydrogen-bonded Turntrans-99.433.8177.5-67.1-85.4000113.3N1419N1419-Y1421 PolarHBondContact O-N 2.96Å; N1419-Y1421 VanDerWaalsContact O-N 3.14Å; N1419-Y1421 WeakPolarHBondContact OD1-CB 3.41Å; N1419-Y1421 PolarHBondContact OD1-N 3.5Å
1422Q26.2Very low31.5Very low156 Ų156129.5 Ų129.573%0.72971%0.707SS**  trans-132.641.9177.5-156.7160.12.600114.2
1423L27.8Very low30.6Very low172 Ų172133.1 Ų133.190%0.90172%0.722SS**  trans-115.790.5156-84.5170.5000109.3
1424V29.2Very low29.9Very low128 Ų128134.4 Ų134.478%0.77673%0.732SS**  trans-78.1141.8167.1175.70000108.6P1426V1424-P1426 WeakPolarHBondContact O-CD 3.38Å
1425I25.1Very low29.5Very low137 Ų137133.2 Ų133.270%0.70373%0.734SS**  trans-54.8136.4177.5-63.3158000111.6
1426P29Very low28.9Very low124 Ų124132.6 Ų132.681%0.80574%0.74SS**  trans-117107.3143.312.39000109.3V1424 N1428V1424-P1426 WeakPolarHBondContact O-CD 3.38Å; P1426-N1428 PolarHBondContact O-N 3.16Å
1427N25.8Very low28.5Very low136 Ų136133 Ų13373%0.72774%0.743SS**  trans-70.6122.8157.6-73-18000106.8
1428N27.3Very low28.3Very low153 Ų153133.7 Ų133.782%0.81875%0.749SS**  -171.5144.6112.8-93.1-16.2000113.9P1426P1426-N1428 PolarHBondContact O-N 3.16Å
1429T25.8Very low28.1Very low119 Ų119134.4 Ų134.473%0.7375%0.751SS**  trans-45.414116349.10000114.4
1430T28.5Very low28.1Very low144 Ų144138.2 Ų138.288%0.88377%0.771SS**  trans-144.2120.6131-35.20000110.4
1431T27.4Very low27.9Very low109 Ų109140.6 Ų140.667%0.66977%0.772SS**  trans-92156.9169.646.30000110.8
1432N28.7Very low28Very low131 Ų131137.1 Ų137.170%0.70177%0.771SS**  trans86.993.4159.6-55.2-20.1000119.6
1433N28.6Very low28.1Very low137 Ų137134.5 Ų134.573%0.73377%0.769SS**  71.4101.5117.4-55.2-10.9000120.9
1434N30.4Very low27.8Very low154 Ų154133.5 Ų133.582%0.82476%0.764SS**  trans54.699.1134.8-62.4-1.6000120.5
1435S30.3Very low27.6Very low110 Ų110134.6 Ų134.677%0.76976%0.763SS**  trans55.596.8139.3-61.10000120.3
1436S29.8Very low27.7Very low106 Ų106133.6 Ų133.674%0.74176%0.759SS**  58.9116.7122.7-51.60000120.4
1437N27.7Very low27.5Very low146 Ų146136.1 Ų136.178%0.78176%0.76SS**  -169.8136.8110-95.4-36000113.6
1438N28Very low27.5Very low144 Ų144136 Ų13677%0.7776%0.758SS**  trans60.7154.1153.4-59.7-18.5000120.9
1439V27.6Very low27.4Very low129 Ų129132.8 Ų132.878%0.78276%0.761SS**  cis176.6116-45.7140.50000106.2
1440L30.2Very low27.6Very low164 Ų164133.4 Ų133.486%0.85976%0.756SS**  trans173.6123.7170.1-97.4163.2000103.3
1441E26.4Very low27.9Very low162 Ų162134.6 Ų134.676%0.75775%0.748SS**  cis-126.8136.47-86178.5127.900109.3
1442T29.2Very low28.1Very low119 Ų119134.1 Ų134.173%0.7375%0.747SS**  34.8132.3105.465.20000116.3
1443S26.6Very low28.1Very low100 Ų100136.5 Ų136.570%0.69975%0.752SS**  cis-160.6149.4-3.9-87.50000108.2
1444L23Very low28Very low151 Ų151136 Ų13679%0.79175%0.754SS**  32.4104.196.2-90.5171.3000115.5
1445M24.8Very low27.9Very low151 Ų151133.9 Ų133.974%0.74475%0.746SS**  trans177.8123.6135.2-105.934173.100108
1446N26.6Very low27.7Very low117 Ų117135.4 Ų135.463%0.62675%0.746SS**  63.5117.392.2-57.713000110.8
1447E23.9Very low27.8Very low177 Ų177139 Ų13983%0.82775%0.75SS**  54.1148.652.4-151.1-179.6-13900113.3
1448I26.8Very low27.8Very low133 Ų133137.3 Ų137.368%0.68275%0.746SS**  trans6782.3178.9-46.3178.8000114.1E1450I1448-E1450 HydrophobicContact CG2-CB 4.32Å; I1448-E1450 PolarHBondContact O-N 2.99Å
1449G25.5Very low27.9Very low86 Ų86136.9 Ų136.989%0.88774%0.742SS**  trans-82.828.5159.500000114.4
1450E30.4Very low28.1Very low132 Ų132136.7 Ų136.762%0.61774%0.736SS**SBendtrans-115.976.4-179.5-101.2-6793.700112.8I1448I1448-E1450 HydrophobicContact CG2-CB 4.32Å; I1448-E1450 PolarHBondContact O-N 2.99Å
1451K35Very low28.2Very low168 Ų168136.8 Ų136.873%0.7373%0.732SS**  trans62.3162.5149.7-59.5-167.5-168.377.20120.5
1452P30.7Very low28.2Very low100 Ų100137.5 Ų137.565%0.64974%0.735SS**  trans-131.7166.7-162.242.9-26.2000116.7
1453K28.5Very low28.7Very low181 Ų181135.7 Ų135.779%0.78773%0.725SS**  trans67.3119.6146.5-73.1161.4-176.9176.80120.2
1454T27.5Very low28.7Very low127 Ų127137.4 Ų137.478%0.77973%0.726SS**  trans66.4142132.361.90000120
1455T26.9Very low29.1Very low109 Ų109137.3 Ų137.367%0.66973%0.725SS**  cis-169.2160.1-5.8-97.40000109.3
1456N26.6Very low29.2Very low142 Ų142136.7 Ų136.776%0.75972%0.724SS**  trans91.6145.1172.1-63.3-36.1000118.7
1457H31Very low29.2Very low180 Ų180136.9 Ų136.983%0.83373%0.73SS**  trans65.3144.7169.8-70.8-56.5000118.5
1458V28.9Very low29.3Very low112 Ų112133.1 Ų133.168%0.67972%0.723SS**  cis-166163.8-26.7790000109.9
1459I30.3Very low29.1Very low135 Ų135137.8 Ų137.869%0.69273%0.732SS**  trans73.7107.4159.7-74.3170.4000118.9
1460N31.1Very low29Very low124 Ų124137.9 Ų137.966%0.66372%0.719SS**  trans88.8136.2132.4-71.418.1000126.1
1461H32.1Very low28.7Very low167 Ų167138.5 Ų138.577%0.77373%0.725SS**  trans80.969.3147.3-58.7-39000123.4
1462H25.9Very low28.1Very low176 Ų176136.5 Ų136.582%0.81573%0.727SS**  -54.1174.7125.2-1178000112.7
1463P40.5Very low27.9Very low81 Ų81137.7 Ų137.753%0.52673%0.732SS.*  cis-143.7-160.6-32.233.9-10.4000114.3
1464N26.7Very low28Very low136 Ų136136.4 Ų136.473%0.72773%0.734SS**  trans84.7159.1162-45.8-40000116.7
1465I31.3Very low28.3Very low150 Ų150135.5 Ų135.577%0.76973%0.73SS**  cis-135.1119.717.8-69.7173.6000113
1466L26.1Very low28.3Very low138 Ų138137 Ų13772%0.72373%0.733SS**  29.6134.5129.9-61.7163.1000123.5
1467T27.5Very low28.5Very low121 Ų121138 Ų13874%0.74273%0.733SS**  74.6143.5123.3-66.60000121.3
1468S25.2Very low28.4Very low98 Ų98136.1 Ų136.169%0.68573%0.725SS**  cis-174152.3-21.9-85.70000111.2
1469R23Very low28.2Very low230 Ų230138.8 Ų138.887%0.86873%0.73SS**  trans69.4123.6137.3-176.1173.7-172.7173.64.9121.7
1470S23Very low28Very low88 Ų88140.8 Ų140.862%0.61574%0.736SS**  trans90.8126.2140.8-81.70000123.9
1471I24Very low28.1Very low145 Ų145142.3 Ų142.374%0.74474%0.743SS**  trans82.495.5130.5-63.4168.1000119.3
1472T23.9Very low27.9Very low126 Ų126142.3 Ų142.377%0.77374%0.743SS**  69.4150.1124.8-42.20000121.6
1473V25.2Very low27.8Very low125 Ų125140.1 Ų140.176%0.75874%0.736SS**  trans93.8112.5167.3-169.80000116.5
1474N31.7Very low27.2Very low155 Ų155142.5 Ų142.583%0.82975%0.745SS**  trans-81.1145.2159-69.2-8.6000108.9
1475P33.5Very low27.2Very low107 Ų107143.7 Ų143.770%0.69575%0.746SS**  -152142.892.437.5-19.4000117.6
1476I27.3Very low27.1Very low142 Ų142145.5 Ų145.573%0.72875%0.751SS**  trans53.7133.2130.2-56.9175.7000120.8
1477Q30Very low27.2Very low163 Ų163145.2 Ų145.276%0.76275%0.75SS**  trans74.2140.6160.8-84.5160.2-16.900117.9
1478Q28.3Very low27.1Very low139 Ų139144.3 Ų144.365%0.6575%0.749SS**  cis-161.3140.8-4.1-156.5162.2-3.400112.4
1479Q25.1Very low27.4Very low169 Ų169148.2 Ų148.279%0.7976%0.76SS**  trans61.1155.2165.8-74.3160.3-20.900116.8
1480Q27.6Very low27.7Very low177 Ų177140.8 Ų140.883%0.82774%0.743SS**  cis-148.3170.620.5-160.7166.7-12.200112.2
1481I31.4Very low28Very low155 Ų155145.4 Ų145.480%0.79576%0.758SS**  trans81.480.2171.4-43.8-176.8000117.6
1482H27.7Very low28.2Very low167 Ų167142.4 Ų142.477%0.77374%0.743SS**  74.6163126.2-138.870.8000122.6
1483L24.5Very low28.8Very low131 Ų131141.7 Ų141.769%0.68674%0.743SS**  trans-85.3168.4-164.7-76.363.9000111.9
1484D28.2Very low29.2Very low131 Ų131143.8 Ų143.870%0.70175%0.749SS**  cis-148168.119-156.54.7000114.3
1485Q25.7Very low29.2Very low161 Ų161145.7 Ų145.775%0.75275%0.745SS**  trans-124.1115.9168.7-72.8-171.65.300111.8
1486Q29.6Very low29.5Very low187 Ų187149.8 Ų149.887%0.87475%0.751SS**  trans-122.1116.6155.3-69.7-157.29.500111.7
1487N28.3Very low30Very low133 Ų133148.7 Ų148.771%0.71175%0.747SS**  trans-96.5146.5-179-100.7-52.2000111.5
1488S26.2Very low30.7Very low102 Ų102144.6 Ų144.671%0.71373%0.734SS**  trans30.296.4151.463.70000117.6S1490S1488-S1490 PolarHBondContact O-N 3.46Å
1489I31.4Very low31.5Very low180 Ų180145.2 Ų145.292%0.92374%0.741SS**  trans-62.1107167.6-63.7177.1000109
1490S28.4Very low32.7Very low73 Ų73140.2 Ų140.251%0.5173%0.728SS.*  trans-81.9141.7-173.4-167.50000112.2S1488 N1492S1488-S1490 PolarHBondContact O-N 3.46Å; S1490-N1492 PolarHBondContact O-N 2.78Å; S1490-N1492 PolarHBondContact OG-ND2 3.08Å
1491M29.2Very low34.1Very low186 Ų186134.6 Ų134.692%0.91671%0.706SS**THydrogen-bonded Turntrans-7050.9175-76.8-79.7-7800113.2
1492N29.1Very low34.9Very low81 Ų81133.4 Ų133.443%0.43370%0.696SS.*THydrogen-bonded Turntrans-130.2-17.3-174-79.8-61000115.2S1490 L1494 R1495S1490-N1492 PolarHBondContact O-N 2.78Å; S1490-N1492 PolarHBondContact OG-ND2 3.08Å; N1492-L1494 VanDerWaalsContact C-N 3.27Å; N1492-L1494 PolarHBondContact O-N 3.45Å; N1492-R1495 PolarHBondContact O-N 2.81Å; N1492-R1495 PolarHBondContact OD1-NH2 3.31Å
1493S36.1Very low36.6Very low111 Ų111130.9 Ų130.978%0.77669%0.687SS**THydrogen-bonded Turntrans-69.9-16.4-177.4-59.50000115R1495S1493-R1495 VanDerWaalsContact C-N 3.31Å; S1493-R1495 PolarHBondContact O-N 3.44Å
1494L34.4Very low38.6Very low169 Ų169130.2 Ų130.289%0.88568%0.681SS**THydrogen-bonded Turntrans-80-3.8176.3-84.4163.9000114.5N1492 K1496N1492-L1494 VanDerWaalsContact C-N 3.27Å; N1492-L1494 PolarHBondContact O-N 3.45Å; L1494-K1496 PolarHBondContact O-N 3.32Å
1495R31.9Very low40.2Very low196 Ų196128.5 Ų128.574%0.7467%0.671SS**THydrogen-bonded Turntrans-9532179-69.5-164.3-79.7-176.7-6.2114.2N1492 S1493N1492-R1495 PolarHBondContact O-N 2.81Å; N1492-R1495 PolarHBondContact OD1-NH2 3.31Å; S1493-R1495 VanDerWaalsContact C-N 3.31Å; S1493-R1495 PolarHBondContact O-N 3.44Å
1496K39.3Very low42.2Very low192 Ų192124.3 Ų124.384%0.83566%0.66SS**THydrogen-bonded Turntrans-128.512.2-178.7-80.9-169.1175.2-177.10116.8L1494L1494-K1496 PolarHBondContact O-N 3.32Å
1497L37.2Very low44.1Very low120 Ų120119.3 Ų119.363%0.62864%0.638SS**SBendtrans-83.3135.8146.5-123.872.6000107.7L1499 F1502L1497-L1499 PolarHBondContact O-N 2.85Å; L1497-F1502 HydrophobicContact CD2-CE2 3.95Å
1498P44.2Very low46.3Very low76 Ų76117 Ų11749%0.49463%0.625SS.*  trans-63.8125.3-176.1-20.631.8000110.9A1500 V1501P1498-A1500 HydrophobicContact CB-CB 4.47Å; P1498-A1500 PolarHBondContact O-N 3.28Å; P1498-A1500 VanDerWaalsContact O-N 3.1Å; P1498-V1501 HydrophobicContact CB-CG2 4.14Å; P1498-V1501 HydrophobicContact CG-CG2 4.28Å; P1498-V1501 PolarHBondContact O-N 2.92Å
1499L45.6Very low48.5Very low152 Ų152117.4 Ų117.480%0.79662%0.619SS**Hα-helixtrans-56.8-28.9176.1-158.275000111.5L1497 V1501 F1502 L1503L1497-L1499 PolarHBondContact O-N 2.85Å; L1499-V1501 PolarHBondContact O-N 2.98Å; L1499-F1502 PolarHBondContact O-N 2.88Å; L1499-L1503 WeakPolarHBondContact O-CB 3.48Å; L1499-L1503 PolarHBondContact O-N 3.27Å
1500A49.6Very low50.6Low64 Ų64115.5 Ų115.553%0.52961%0.606SS.*Hα-helixtrans-54.6-43.5170.800000113.2P1498 F1502 L1503 E1504P1498-A1500 HydrophobicContact CB-CB 4.47Å; P1498-A1500 PolarHBondContact O-N 3.28Å; P1498-A1500 VanDerWaalsContact O-N 3.1Å; A1500-F1502 PolarHBondContact O-N 2.86Å; A1500-L1503 PolarHBondContact O-N 3.42Å; A1500-E1504 WeakPolarHBondContact O-CB 3.47Å; A1500-E1504 PolarHBondContact O-N 2.91Å
1501V57.9Low52.9Low59 Ų59116.9 Ų116.936%0.35860%0.604SS.*Hα-helixtrans-69.4-34.7-179174.70000111.2P1498 L1499 N1505P1498-V1501 HydrophobicContact CB-CG2 4.14Å; P1498-V1501 HydrophobicContact CG-CG2 4.28Å; P1498-V1501 PolarHBondContact O-N 2.92Å; L1499-V1501 PolarHBondContact O-N 2.98Å; V1501-N1505 WeakPolarHBondContact CG1-ND2 3.05Å; V1501-N1505 VanDerWaalsContact O-CB 3.22Å; V1501-N1505 WeakPolarHBondContact O-CB 3.31Å; V1501-N1505 PolarHBondContact O-N 3.15Å; V1501-N1505 PolarHBondContact O-ND2 3.23Å
1502F48.1Very low54.7Low131 Ų131112.5 Ų112.558%0.57558%0.584SS**Hα-helixtrans-69.8-36.8171.5-91.4-80.2000112.1L1497 L1499 A1500 S1506L1497-F1502 HydrophobicContact CD2-CE2 3.95Å; L1499-F1502 PolarHBondContact O-N 2.88Å; A1500-F1502 PolarHBondContact O-N 2.86Å; F1502-S1506 WeakPolarHBondContact O-CB 3.45Å; F1502-S1506 PolarHBondContact O-N 2.78Å; F1502-S1506 VanDerWaalsContact O-N 3.08Å; F1502-S1506 PolarHBondContact O-OG 2.94Å
1503L62.7Low56.6Low114 Ų114112 Ų11260%0.59759%0.586SS**Hα-helixtrans-69-47.8177.3-165.777.1000111.3L1499 A1500 S1506 I1507L1499-L1503 WeakPolarHBondContact O-CB 3.48Å; L1499-L1503 PolarHBondContact O-N 3.27Å; A1500-L1503 PolarHBondContact O-N 3.42Å; L1503-S1506 CarbonylContact O-C 3.6Å; L1503-S1506 WeakPolarHBondContact O-CA 3.36Å; L1503-S1506 WeakPolarHBondContact O-CB 3.38Å; L1503-S1506 PolarHBondContact O-N 3.32Å; L1503-I1507 HydrophobicContact CD2-CD1 4.4Å; L1503-I1507 HydrophobicContact CG-CD1 4.04Å; L1503-I1507 WeakPolarHBondContact O-CG1 3.47Å; L1503-I1507 PolarHBondContact O-N 3.11Å
1504E67.7Low58.4Low117 Ų117109.5 Ų109.555%0.54757%0.568SS.*Hα-helixtrans-60.3-48.4177.7-176.3172.9-161.200111.4A1500 S1506 I1507 L1508A1500-E1504 WeakPolarHBondContact O-CB 3.47Å; A1500-E1504 PolarHBondContact O-N 2.91Å; E1504-S1506 PolarHBondContact O-N 2.8Å; E1504-I1507 PolarHBondContact O-N 3.22Å; E1504-L1508 HydrophobicContact CG-CD1 4.18Å; E1504-L1508 WeakPolarHBondContact O-CB 3.42Å; E1504-L1508 VanDerWaalsContact O-CG 3.29Å; E1504-L1508 WeakPolarHBondContact O-CG 3.15Å; E1504-L1508 PolarHBondContact O-N 3.37Å
1505N61.6Low60.3Low95 Ų95104.6 Ų104.651%0.50854%0.542SS..Hα-helixtrans-61.8-30.3172.7-75.6-41.5000112.7V1501 L1509V1501-N1505 WeakPolarHBondContact CG1-ND2 3.05Å; V1501-N1505 VanDerWaalsContact O-CB 3.22Å; V1501-N1505 WeakPolarHBondContact O-CB 3.31Å; V1501-N1505 PolarHBondContact O-N 3.15Å; V1501-N1505 PolarHBondContact O-ND2 3.23Å; N1505-L1509 WeakPolarHBondContact O-CB 3.32Å; N1505-L1509 PolarHBondContact O-N 2.74Å; N1505-L1509 VanDerWaalsContact O-N 3.11Å
1506S68.7Low62.4Low72 Ų72102.6 Ų102.650%0.50354%0.539SS..Hα-helixtrans-75.4-38.4176.9-56.90000112F1502 L1503 E1504 L1509 Q1510F1502-S1506 WeakPolarHBondContact O-CB 3.45Å; F1502-S1506 PolarHBondContact O-N 2.78Å; F1502-S1506 VanDerWaalsContact O-N 3.08Å; F1502-S1506 PolarHBondContact O-OG 2.94Å; L1503-S1506 CarbonylContact O-C 3.6Å; L1503-S1506 WeakPolarHBondContact O-CA 3.36Å; L1503-S1506 WeakPolarHBondContact O-CB 3.38Å; L1503-S1506 PolarHBondContact O-N 3.32Å; E1504-S1506 PolarHBondContact O-N 2.8Å; S1506-L1509 PolarHBondContact O-N 2.7Å; S1506-Q1510 PolarHBondContact O-N 3.17Å
1507I67.5Low64Low83 Ų8399.9 Ų99.943%0.42653%0.529SS..Hα-helixtrans-65.4-48.9174.4-69.1162.6000109.7L1503 E1504 L1509 Q1510 E1511L1503-I1507 HydrophobicContact CD2-CD1 4.4Å; L1503-I1507 HydrophobicContact CG-CD1 4.04Å; L1503-I1507 WeakPolarHBondContact O-CG1 3.47Å; L1503-I1507 PolarHBondContact O-N 3.11Å; E1504-I1507 PolarHBondContact O-N 3.22Å; I1507-L1509 PolarHBondContact O-N 2.99Å; I1507-Q1510 CarbonylContact O-C 3.1Å; I1507-Q1510 WeakPolarHBondContact O-CA 3.38Å; I1507-Q1510 WeakPolarHBondContact O-CB 3.47Å; I1507-Q1510 PolarHBondContact O-N 3.03Å; I1507-E1511 HydrophobicContact CG2-CG 4.35Å; I1507-E1511 WeakPolarHBondContact CG2-OE1 3.47Å; I1507-E1511 WeakPolarHBondContact O-CG 3.45Å; I1507-E1511 PolarHBondContact O-N 3.17Å
1508L75.7Confident65.9Low84 Ų8499.2 Ų99.244%0.4452%0.523SS..Hα-helixtrans-59.3-33.7175.6-70.8170.3000112.4E1504 L1512E1504-L1508 HydrophobicContact CG-CD1 4.18Å; E1504-L1508 WeakPolarHBondContact O-CB 3.42Å; E1504-L1508 VanDerWaalsContact O-CG 3.29Å; E1504-L1508 WeakPolarHBondContact O-CG 3.15Å; E1504-L1508 PolarHBondContact O-N 3.37Å; L1508-L1512 WeakPolarHBondContact O-CB 3.43Å; L1508-L1512 PolarHBondContact O-N 3.23Å
1509L72.1Confident67.1Low110 Ų11098.5 Ų98.558%0.57652%0.519SS*.Hα-helixtrans-72.5-34.3174.4-147.975.8000112.5N1505 S1506 I1507 C1513N1505-L1509 WeakPolarHBondContact O-CB 3.32Å; N1505-L1509 PolarHBondContact O-N 2.74Å; N1505-L1509 VanDerWaalsContact O-N 3.11Å; S1506-L1509 PolarHBondContact O-N 2.7Å; I1507-L1509 PolarHBondContact O-N 2.99Å; L1509-C1513 WeakPolarHBondContact O-CB 3.38Å; L1509-C1513 PolarHBondContact O-N 2.98Å; L1509-C1513 PolarHBondContact O-SG 3.12Å
1510Q76.5Confident68.3Low140 Ų14093.5 Ų93.565%0.65450%0.499SS*.Hα-helixtrans-69.5-44.9174.6-175.96434.700111.4S1506 I1507 C1513 C1514S1506-Q1510 PolarHBondContact O-N 3.17Å; I1507-Q1510 CarbonylContact O-C 3.1Å; I1507-Q1510 WeakPolarHBondContact O-CA 3.38Å; I1507-Q1510 WeakPolarHBondContact O-CB 3.47Å; I1507-Q1510 PolarHBondContact O-N 3.03Å; Q1510-C1513 WeakPolarHBondContact O-CB 3.25Å; Q1510-C1513 PolarHBondContact O-N 2.97Å; Q1510-C1514 PolarHBondContact O-N 2.88Å
1511E74.9Confident69.4Low102 Ų10295.4 Ų95.448%0.47750%0.501SS..Hα-helixtrans-61.7-45.4173.7-71175-179.900111.2I1507 C1513 C1514 I1515I1507-E1511 HydrophobicContact CG2-CG 4.35Å; I1507-E1511 WeakPolarHBondContact CG2-OE1 3.47Å; I1507-E1511 WeakPolarHBondContact O-CG 3.45Å; I1507-E1511 PolarHBondContact O-N 3.17Å; E1511-C1513 VanDerWaalsContact C-N 3.28Å; E1511-C1513 PolarHBondContact O-N 3.17Å; E1511-C1514 WeakPolarHBondContact O-CB 3.39Å; E1511-C1514 PolarHBondContact O-N 3.14Å; E1511-C1514 VanDerWaalsContact O-N 3.14Å; E1511-I1515 WeakPolarHBondContact O-CG1 3.33Å; E1511-I1515 PolarHBondContact O-N 3.12Å
1512L68.7Low70.7Confident94 Ų9496.6 Ų96.649%0.49251%0.505SS..Hα-helixtrans-62.8-32.7175.5-17863.4000112.6L1508 K1516L1508-L1512 WeakPolarHBondContact O-CB 3.43Å; L1508-L1512 PolarHBondContact O-N 3.23Å; L1512-K1516 WeakPolarHBondContact O-CB 3.31Å; L1512-K1516 PolarHBondContact O-N 2.87Å; L1512-K1516 VanDerWaalsContact O-N 3.17Å
1513C68.8Low72.3Confident71 Ų7197.9 Ų97.948%0.4851%0.51SS..Hα-helixtrans-68.1-45.6171.2-79.20000111.7L1509 Q1510 E1511 K1516 E1517L1509-C1513 WeakPolarHBondContact O-CB 3.38Å; L1509-C1513 PolarHBondContact O-N 2.98Å; L1509-C1513 PolarHBondContact O-SG 3.12Å; Q1510-C1513 WeakPolarHBondContact O-CB 3.25Å; Q1510-C1513 PolarHBondContact O-N 2.97Å; E1511-C1513 VanDerWaalsContact C-N 3.28Å; E1511-C1513 PolarHBondContact O-N 3.17Å; C1513-K1516 PolarHBondContact O-N 2.86Å; C1513-E1517 PolarHBondContact O-N 2.78Å
1514C72.8Confident73.2Confident59 Ų5997 Ų9740%0.39951%0.505SS..Hα-helixtrans-59.7-53.3177.8-1580000111.6Q1510 E1511 K1516 E1517 E1518Q1510-C1514 PolarHBondContact O-N 2.88Å; E1511-C1514 WeakPolarHBondContact O-CB 3.39Å; E1511-C1514 PolarHBondContact O-N 3.14Å; E1511-C1514 VanDerWaalsContact O-N 3.14Å; C1514-K1516 PolarHBondContact O-N 3.39Å; C1514-K1516 VanDerWaalsContact O-N 3.17Å; C1514-E1517 WeakPolarHBondContact O-CB 3.45Å; C1514-E1517 PolarHBondContact O-N 3.3Å; C1514-E1518 WeakPolarHBondContact O-CG 3.33Å; C1514-E1518 PolarHBondContact O-N 2.76Å; C1514-E1518 PolarHBondContact SG-OE1 2.97Å
1515I75.5Confident73.9Confident66 Ų6698.3 Ų98.334%0.33851%0.505SS..Hα-helixtrans-58-34.1177.3-66.7166.2000111.3E1511 C1519E1511-I1515 WeakPolarHBondContact O-CG1 3.33Å; E1511-I1515 PolarHBondContact O-N 3.12Å; I1515-C1519 WeakPolarHBondContact O-CB 3.22Å; I1515-C1519 PolarHBondContact O-N 2.88Å; I1515-C1519 PolarHBondContact O-SG 3.2Å
1516K75.2Confident74.7Confident153 Ų15397.3 Ų97.367%0.66550%0.502SS*.Hα-helixtrans-75.8-29.6178.6-177175.3179.3178.80113.4L1512 C1513 C1514 A1520L1512-K1516 WeakPolarHBondContact O-CB 3.31Å; L1512-K1516 PolarHBondContact O-N 2.87Å; L1512-K1516 VanDerWaalsContact O-N 3.17Å; C1513-K1516 PolarHBondContact O-N 2.86Å; C1514-K1516 PolarHBondContact O-N 3.39Å; C1514-K1516 VanDerWaalsContact O-N 3.17Å; K1516-A1520 PolarHBondContact O-N 3.21Å
1517E73Confident75.5Confident136 Ų13699.5 Ų99.564%0.63650%0.5SS*.Hα-helixtrans-73.5-49.5172.8-166.9153.9-14800109.8C1513 C1514 C1519 A1520 D1521C1513-E1517 PolarHBondContact O-N 2.78Å; C1514-E1517 WeakPolarHBondContact O-CB 3.45Å; C1514-E1517 PolarHBondContact O-N 3.3Å; E1517-C1519 VanDerWaalsContact C-N 3.33Å; E1517-C1519 PolarHBondContact O-N 2.94Å; E1517-A1520 WeakPolarHBondContact O-CA 3.39Å; E1517-A1520 WeakPolarHBondContact O-CB 3.3Å; E1517-A1520 PolarHBondContact O-N 3.41Å; E1517-D1521 PolarHBondContact O-N 2.92Å
1518E76.6Confident76.3Confident106 Ų106100.4 Ų100.450%0.49551%0.505SS..Hα-helixtrans-55.8-43.2171.4-69.2168-147.300112.5C1514 A1520 D1521 L1522C1514-E1518 WeakPolarHBondContact O-CG 3.33Å; C1514-E1518 PolarHBondContact O-N 2.76Å; C1514-E1518 PolarHBondContact SG-OE1 2.97Å; E1518-A1520 VanDerWaalsContact C-N 3.26Å; E1518-A1520 PolarHBondContact O-N 3.41Å; E1518-D1521 PolarHBondContact O-N 3.1Å; E1518-L1522 VanDerWaalsContact O-CB 3.3Å; E1518-L1522 WeakPolarHBondContact O-CB 3.45Å; E1518-L1522 VanDerWaalsContact O-CG 3.31Å; E1518-L1522 WeakPolarHBondContact O-CG 3.25Å; E1518-L1522 PolarHBondContact O-N 2.85Å
1519C69.1Low76.7Confident60 Ų60100.8 Ų100.841%0.40551%0.507SS..Hα-helixtrans-69-18.3174.7-76.50000114.1I1515 E1517 K1523I1515-C1519 WeakPolarHBondContact O-CB 3.22Å; I1515-C1519 PolarHBondContact O-N 2.88Å; I1515-C1519 PolarHBondContact O-SG 3.2Å; E1517-C1519 VanDerWaalsContact C-N 3.33Å; E1517-C1519 PolarHBondContact O-N 2.94Å; C1519-K1523 WeakPolarHBondContact O-CD 3.31Å; C1519-K1523 VanDerWaalsContact O-CG 3.28Å; C1519-K1523 WeakPolarHBondContact O-CG 3.47Å
1520A70.9Confident77.2Confident47 Ų47100.1 Ų100.139%0.38850%0.501SS..Hα-helixtrans-81.5-48171.900000110.2K1516 E1517 E1518 L1522 K1523 I1524K1516-A1520 PolarHBondContact O-N 3.21Å; E1517-A1520 WeakPolarHBondContact O-CA 3.39Å; E1517-A1520 WeakPolarHBondContact O-CB 3.3Å; E1517-A1520 PolarHBondContact O-N 3.41Å; E1518-A1520 VanDerWaalsContact C-N 3.26Å; E1518-A1520 PolarHBondContact O-N 3.41Å; A1520-L1522 PolarHBondContact O-N 3.41Å; A1520-K1523 WeakPolarHBondContact O-CB 3.35Å; A1520-K1523 PolarHBondContact O-N 3.43Å; A1520-K1523 VanDerWaalsContact O-N 3.1Å; A1520-I1524 WeakPolarHBondContact O-CG1 3.38Å; A1520-I1524 PolarHBondContact O-N 3.44Å
1521D74.1Confident77.4Confident104 Ų10498.2 Ų98.256%0.55649%0.491SS*.Hα-helixtrans-63.3-40.4178-78.61000112.2E1517 E1518 K1523 I1524 R1525E1517-D1521 PolarHBondContact O-N 2.92Å; E1518-D1521 PolarHBondContact O-N 3.1Å; D1521-K1523 VanDerWaalsContact C-N 3.3Å; D1521-K1523 PolarHBondContact O-N 3.02Å; D1521-I1524 PolarHBondContact O-N 3.4Å; D1521-R1525 WeakPolarHBondContact O-CB 3.44Å; D1521-R1525 PolarHBondContact O-N 3.43Å
1522L85Confident77.8Confident84 Ų8498.8 Ų98.844%0.4449%0.494SS..Hα-helixtrans-60.7-38.1172.4-77.8167.4000112.1E1518 A1520 R1525 V1526E1518-L1522 VanDerWaalsContact O-CB 3.3Å; E1518-L1522 WeakPolarHBondContact O-CB 3.45Å; E1518-L1522 VanDerWaalsContact O-CG 3.31Å; E1518-L1522 WeakPolarHBondContact O-CG 3.25Å; E1518-L1522 PolarHBondContact O-N 2.85Å; A1520-L1522 PolarHBondContact O-N 3.41Å; L1522-R1525 PolarHBondContact O-N 3.23Å; L1522-V1526 WeakPolarHBondContact O-CB 3.4Å; L1522-V1526 VanDerWaalsContact O-CG2 3.29Å; L1522-V1526 WeakPolarHBondContact O-CG2 3.36Å; L1522-V1526 PolarHBondContact O-N 2.99Å
1523K81.3Confident78.4Confident158 Ų15899 Ų9969%0.68749%0.494SS*.Hα-helixtrans-70.3-38.1176.1-77.1175.1-177.6177.30112.5C1519 A1520 D1521 V1526 Y1527C1519-K1523 WeakPolarHBondContact O-CD 3.31Å; C1519-K1523 VanDerWaalsContact O-CG 3.28Å; C1519-K1523 WeakPolarHBondContact O-CG 3.47Å; A1520-K1523 WeakPolarHBondContact O-CB 3.35Å; A1520-K1523 PolarHBondContact O-N 3.43Å; A1520-K1523 VanDerWaalsContact O-N 3.1Å; D1521-K1523 VanDerWaalsContact C-N 3.3Å; D1521-K1523 PolarHBondContact O-N 3.02Å; K1523-V1526 PolarHBondContact O-N 3.15Å; K1523-Y1527 WeakPolarHBondContact O-CB 3.49Å; K1523-Y1527 PolarHBondContact O-N 3.22Å
1524I81.7Confident79Confident97 Ų9799.8 Ų99.850%0.49749%0.491SS..Hα-helixtrans-63.6-44.5173.4-66.7164.6000109.8A1520 D1521 Y1527 L1528A1520-I1524 WeakPolarHBondContact O-CG1 3.38Å; A1520-I1524 PolarHBondContact O-N 3.44Å; D1521-I1524 PolarHBondContact O-N 3.4Å; I1524-Y1527 PolarHBondContact O-N 2.81Å; I1524-L1528 HydrophobicContact CG2-CD1 3.99Å; I1524-L1528 WeakPolarHBondContact O-CG 3.5Å; I1524-L1528 PolarHBondContact O-N 2.71Å
1525R81.7Confident79.3Confident144 Ų144100.2 Ų100.254%0.54350%0.495SS..Hα-helixtrans-65.4-39.3177.9-169.6165.868.8126.2-1.8112.7D1521 L1522 L1528 L1529D1521-R1525 WeakPolarHBondContact O-CB 3.44Å; D1521-R1525 PolarHBondContact O-N 3.43Å; L1522-R1525 PolarHBondContact O-N 3.23Å; R1525-L1528 PolarHBondContact O-N 2.96Å; R1525-L1529 HydrophobicContact CG-CD1 4.06Å; R1525-L1529 WeakPolarHBondContact O-CB 3.45Å; R1525-L1529 VanDerWaalsContact O-CG 3.29Å; R1525-L1529 WeakPolarHBondContact O-CG 3.34Å; R1525-L1529 PolarHBondContact O-N 3.47Å
1526V79Confident79.7Confident74 Ų74101.4 Ų101.445%0.44850%0.502SS..Hα-helixtrans-63.1-49.1173168.10000111L1522 K1523 L1528 L1529 E1530L1522-V1526 WeakPolarHBondContact O-CB 3.4Å; L1522-V1526 VanDerWaalsContact O-CG2 3.29Å; L1522-V1526 WeakPolarHBondContact O-CG2 3.36Å; L1522-V1526 PolarHBondContact O-N 2.99Å; K1523-V1526 PolarHBondContact O-N 3.15Å; V1526-L1528 VanDerWaalsContact C-N 3.31Å; V1526-L1528 PolarHBondContact O-N 2.86Å; V1526-L1529 PolarHBondContact O-N 2.93Å; V1526-E1530 HydrophobicContact CG1-CG 4.2Å; V1526-E1530 WeakPolarHBondContact O-CB 3.33Å; V1526-E1530 WeakPolarHBondContact O-CG 3.37Å; V1526-E1530 PolarHBondContact O-N 3.35Å
1527Y84.8Confident80.2Confident118 Ų118101.6 Ų101.646%0.46350%0.498SS..Hα-helixtrans-59.7-39.2177.8170.4-100.5000112.6K1523 I1524 K1531 D1631K1523-Y1527 WeakPolarHBondContact O-CB 3.49Å; K1523-Y1527 PolarHBondContact O-N 3.22Å; I1524-Y1527 PolarHBondContact O-N 2.81Å; Y1527-K1531 WeakPolarHBondContact O-CB 3.47Å; Y1527-K1531 PolarHBondContact O-N 2.99Å; Y1527-D1631 PolarHBondContact OH-OD2 3.07Å
1528L84.8Confident80.3Confident101 Ų10196.8 Ų96.853%0.52948%0.477SS..Hα-helixtrans-64.3-47174.3-74.1167.5000112.3I1524 R1525 V1526 K1531 E1532I1524-L1528 HydrophobicContact CG2-CD1 3.99Å; I1524-L1528 WeakPolarHBondContact O-CG 3.5Å; I1524-L1528 PolarHBondContact O-N 2.71Å; R1525-L1528 PolarHBondContact O-N 2.96Å; V1526-L1528 VanDerWaalsContact C-N 3.31Å; V1526-L1528 PolarHBondContact O-N 2.86Å; L1528-K1531 PolarHBondContact O-N 2.84Å; L1528-E1532 WeakPolarHBondContact O-CB 3.34Å; L1528-E1532 PolarHBondContact O-N 3.22Å
1529L85Confident80.7Confident92 Ų9295.4 Ų95.448%0.48248%0.476SS..Hα-helixtrans-67.5-34.8178.8-72.6169.7000112.7R1525 V1526 E1532 L1533R1525-L1529 HydrophobicContact CG-CD1 4.06Å; R1525-L1529 WeakPolarHBondContact O-CB 3.45Å; R1525-L1529 VanDerWaalsContact O-CG 3.29Å; R1525-L1529 WeakPolarHBondContact O-CG 3.34Å; R1525-L1529 PolarHBondContact O-N 3.47Å; V1526-L1529 PolarHBondContact O-N 2.93Å; L1529-E1532 PolarHBondContact O-N 2.75Å; L1529-L1533 WeakPolarHBondContact O-CB 3.4Å; L1529-L1533 PolarHBondContact O-N 3.27Å
1530E81.7Confident81.3Confident97 Ų9797.2 Ų97.245%0.45348%0.481SS..Hα-helixtrans-68.8-37.3174.6-72.4-177.8149.900111.4K331 V1526 H1534K331-E1530 IonicContact NZ-OE1 3.67Å; V1526-E1530 HydrophobicContact CG1-CG 4.2Å; V1526-E1530 WeakPolarHBondContact O-CB 3.33Å; V1526-E1530 WeakPolarHBondContact O-CG 3.37Å; V1526-E1530 PolarHBondContact O-N 3.35Å; E1530-H1534 WeakPolarHBondContact O-CB 3.46Å; E1530-H1534 PolarHBondContact O-N 3.06Å
1531K81.1Confident81.9Confident99 Ų9998.9 Ų98.943%0.4348%0.483SS..Hα-helixtrans-66.8-42.4172.4-175.9166.4-174.6158.80112.7Y1527 L1528 H1534 S1535Y1527-K1531 WeakPolarHBondContact O-CB 3.47Å; Y1527-K1531 PolarHBondContact O-N 2.99Å; L1528-K1531 PolarHBondContact O-N 2.84Å; K1531-H1534 PolarHBondContact O-N 3.27Å; K1531-S1535 PolarHBondContact O-N 2.76Å
1532E83.6Confident82Confident115 Ų11596.6 Ų96.654%0.53748%0.475SS..Hα-helixtrans-64.1-45.2175.2-174.6178.3175.200111.3L1528 L1529 H1534 S1535 N1536L1528-E1532 WeakPolarHBondContact O-CB 3.34Å; L1528-E1532 PolarHBondContact O-N 3.22Å; L1529-E1532 PolarHBondContact O-N 2.75Å; E1532-H1534 VanDerWaalsContact C-N 3.32Å; E1532-H1534 PolarHBondContact O-N 2.92Å; E1532-S1535 PolarHBondContact O-N 3.2Å; E1532-N1536 WeakPolarHBondContact O-CB 3.47Å; E1532-N1536 PolarHBondContact O-N 2.91Å; E1532-N1536 PolarHBondContact O-ND2 3.44Å
1533L80.9Confident81.6Confident97 Ų9796.9 Ų96.951%0.50847%0.47SS..Hα-helixtrans-60.9-39.7174.8-176.9151.2000111.9L1529 R1537L1529-L1533 WeakPolarHBondContact O-CB 3.4Å; L1529-L1533 PolarHBondContact O-N 3.27Å; L1533-R1537 WeakPolarHBondContact O-CB 3.45Å; L1533-R1537 PolarHBondContact O-N 3.4Å
1534H81.7Confident81.5Confident88 Ų8890.5 Ų90.541%0.40745%0.448SS..Hα-helixtrans-66.1-44.4176.6-169.660.1000112.1E1530 K1531 E1532 R1537 L1538E1530-H1534 WeakPolarHBondContact O-CB 3.46Å; E1530-H1534 PolarHBondContact O-N 3.06Å; K1531-H1534 PolarHBondContact O-N 3.27Å; E1532-H1534 VanDerWaalsContact C-N 3.32Å; E1532-H1534 PolarHBondContact O-N 2.92Å; H1534-R1537 PolarHBondContact O-N 2.89Å; H1534-L1538 WeakPolarHBondContact NE2-CD1 3.13Å; H1534-L1538 WeakPolarHBondContact O-CG 3.11Å; H1534-L1538 PolarHBondContact O-N 3.36Å
1535S78.6Confident81.3Confident69 Ų6988.4 Ų88.448%0.48344%0.439SS..Hα-helixtrans-63.5-41.8175.7-171.60000112.6K1531 E1532 R1537 L1538 T1539K1531-S1535 PolarHBondContact O-N 2.76Å; E1532-S1535 PolarHBondContact O-N 3.2Å; S1535-R1537 VanDerWaalsContact C-N 3.33Å; S1535-R1537 PolarHBondContact O-N 3.22Å; S1535-L1538 PolarHBondContact O-N 3.37Å; S1535-T1539 PolarHBondContact O-N 2.94Å; S1535-T1539 PolarHBondContact O-OG1 3.39Å
1536N83.1Confident81.1Confident90 Ų9084 Ų8448%0.48143%0.433SS..Hα-helixtrans-64.8-34.3173.7-77.8-40.3000112.5E1532 T1539 L1540E1532-N1536 WeakPolarHBondContact O-CB 3.47Å; E1532-N1536 PolarHBondContact O-N 2.91Å; E1532-N1536 PolarHBondContact O-ND2 3.44Å; N1536-T1539 WeakPolarHBondContact CA-OG1 3.5Å; N1536-T1539 PolarHBondContact O-OG1 2.96Å; N1536-T1539 VanDerWaalsContact O-OG1 3.14Å; N1536-L1540 WeakPolarHBondContact O-CB 3.47Å; N1536-L1540 PolarHBondContact O-N 2.83Å; N1536-L1540 VanDerWaalsContact O-N 3.08Å
1537R85.8Confident80.8Confident157 Ų15783.1 Ų83.159%0.59242%0.424SS*.Hα-helixtrans-68.1-47.5174.4-170.1170.6-174.4157.52111.9L1533 H1534 S1535 T1539 L1540 D1541L1533-R1537 WeakPolarHBondContact O-CB 3.45Å; L1533-R1537 PolarHBondContact O-N 3.4Å; H1534-R1537 PolarHBondContact O-N 2.89Å; S1535-R1537 VanDerWaalsContact C-N 3.33Å; S1535-R1537 PolarHBondContact O-N 3.22Å; R1537-T1539 VanDerWaalsContact C-N 3.33Å; R1537-T1539 PolarHBondContact O-N 2.95Å; R1537-L1540 WeakPolarHBondContact O-CB 3.49Å; R1537-L1540 PolarHBondContact O-N 3.25Å; R1537-L1540 VanDerWaalsContact O-N 3.13Å; R1537-D1541 PolarHBondContact O-N 3.02Å
1538L75.4Confident80.4Confident36 Ų3685.1 Ų85.119%0.18843%0.431CS..Hα-helixtrans-61.8-36.9178.4-75.8161.5000113.2H1534 S1535 S1542 I1620 Q1624H1534-L1538 WeakPolarHBondContact NE2-CD1 3.13Å; H1534-L1538 WeakPolarHBondContact O-CG 3.11Å; H1534-L1538 PolarHBondContact O-N 3.36Å; S1535-L1538 PolarHBondContact O-N 3.37Å; L1538-S1542 PolarHBondContact O-N 3.31Å; L1538-S1542 PolarHBondContact O-OG 3.25Å; L1538-I1620 HydrophobicContact CD2-CG2 3.84Å; L1538-Q1624 HydrophobicContact CD1-CG 4.17Å
1539T85.8Confident79.9Confident76 Ų7682.5 Ų82.547%0.46642%0.424SS..Hα-helixtrans-75.5-27.1174.648.70000113.4S1535 N1536 R1537 S1542 R1543S1535-T1539 PolarHBondContact O-N 2.94Å; S1535-T1539 PolarHBondContact O-OG1 3.39Å; N1536-T1539 WeakPolarHBondContact CA-OG1 3.5Å; N1536-T1539 PolarHBondContact O-OG1 2.96Å; N1536-T1539 VanDerWaalsContact O-OG1 3.14Å; R1537-T1539 VanDerWaalsContact C-N 3.33Å; R1537-T1539 PolarHBondContact O-N 2.95Å; T1539-S1542 PolarHBondContact O-OG 3.24Å; T1539-R1543 VanDerWaalsContact O-CB 3.26Å; T1539-R1543 WeakPolarHBondContact O-CB 3.35Å; T1539-R1543 PolarHBondContact O-N 3.35Å; T1539-R1543 VanDerWaalsContact O-N 3.16Å
1540L82Confident79.6Confident98 Ų9884 Ų8451%0.51343%0.431SS..Hα-helixtrans-70.7-44.1169.6-166.5156.9000110.8N1536 R1537 R1543 A1544N1536-L1540 WeakPolarHBondContact O-CB 3.47Å; N1536-L1540 PolarHBondContact O-N 2.83Å; N1536-L1540 VanDerWaalsContact O-N 3.08Å; R1537-L1540 WeakPolarHBondContact O-CB 3.49Å; R1537-L1540 PolarHBondContact O-N 3.25Å; R1537-L1540 VanDerWaalsContact O-N 3.13Å; L1540-R1543 PolarHBondContact O-N 2.93Å; L1540-A1544 WeakPolarHBondContact O-CB 3.3Å; L1540-A1544 PolarHBondContact O-N 3Å
1541D83.2Confident79.7Confident82 Ų8285.3 Ų85.344%0.43943%0.432SS..Hα-helixtrans-64.1-43.4177.7-72.4-37.4000111.8R1537 R1543 A1544 V1545R1537-D1541 PolarHBondContact O-N 3.02Å; D1541-R1543 PolarHBondContact O-N 3.38Å; D1541-A1544 PolarHBondContact O-N 3.2Å; D1541-V1545 WeakPolarHBondContact O-CG2 3.23Å; D1541-V1545 PolarHBondContact O-N 2.94Å
1542S75.4Confident79.4Confident56 Ų5682.5 Ų82.539%0.39243%0.427SS..Hα-helixtrans-66.3-36.8175.574.10000112.8L1538 T1539 A1544 V1545 A1546L1538-S1542 PolarHBondContact O-N 3.31Å; L1538-S1542 PolarHBondContact O-OG 3.25Å; T1539-S1542 PolarHBondContact O-OG 3.24Å; S1542-A1544 VanDerWaalsContact C-N 3.34Å; S1542-V1545 PolarHBondContact O-N 3.03Å; S1542-A1546 PolarHBondContact O-N 3.44Å
1543R77.2Confident79Confident90 Ų9081.1 Ų81.134%0.3442%0.421SS..Hα-helixtrans-64.8-36.7171.6179168.3161.9-177.9-10111.9L313 S316 T1539 L1540 D1541 A1546 E1547L313-R1543 PolarHBondContact O-NH2 3.46Å; S316-R1543 PolarHBondContact OG-NH1 3.47Å; S316-R1543 PolarHBondContact OG-NH2 3.43Å; T1539-R1543 VanDerWaalsContact O-CB 3.26Å; T1539-R1543 WeakPolarHBondContact O-CB 3.35Å; T1539-R1543 PolarHBondContact O-N 3.35Å; T1539-R1543 VanDerWaalsContact O-N 3.16Å; L1540-R1543 PolarHBondContact O-N 2.93Å; D1541-R1543 PolarHBondContact O-N 3.38Å; R1543-A1546 PolarHBondContact O-N 3.35Å; R1543-E1547 WeakPolarHBondContact O-CB 3.35Å; R1543-E1547 PolarHBondContact O-N 2.93Å
1544A79.5Confident78.8Confident25 Ų2581.3 Ų81.321%0.20742%0.422CS..Hα-helixtrans-71.3-27.3174.300000112.9L1540 D1541 S1542 R1548L1540-A1544 WeakPolarHBondContact O-CB 3.3Å; L1540-A1544 PolarHBondContact O-N 3Å; D1541-A1544 PolarHBondContact O-N 3.2Å; S1542-A1544 VanDerWaalsContact C-N 3.34Å; A1544-R1548 VanDerWaalsContact C-NH1 3.31Å; A1544-R1548 WeakPolarHBondContact O-CG 3.44Å; A1544-R1548 PolarHBondContact O-N 2.8Å; A1544-R1548 PolarHBondContact O-NH1 3.07Å
1545V77.4Confident78.5Confident52 Ų5281.3 Ų81.332%0.31543%0.425SS..Hα-helixtrans-70.5-45.81691720000110.4D1541 S1542 E1547 R1548 A1549 A1613D1541-V1545 WeakPolarHBondContact O-CG2 3.23Å; D1541-V1545 PolarHBondContact O-N 2.94Å; S1542-V1545 PolarHBondContact O-N 3.03Å; V1545-E1547 VanDerWaalsContact C-N 3.33Å; V1545-E1547 PolarHBondContact O-N 3.27Å; V1545-R1548 PolarHBondContact O-N 3.47Å; V1545-A1549 PolarHBondContact O-N 2.82Å; V1545-A1613 HydrophobicContact CG1-CB 3.9Å
1546A77.3Confident78.2Confident51 Ų5179.7 Ų79.742%0.42142%0.415SS..Hα-helixtrans-61.2-38.617500000112.7S1542 R1543 A1549 L1550S1542-A1546 PolarHBondContact O-N 3.44Å; R1543-A1546 PolarHBondContact O-N 3.35Å; A1546-A1549 PolarHBondContact O-N 3.38Å; A1546-L1550 WeakPolarHBondContact O-CG 3.28Å; A1546-L1550 PolarHBondContact O-N 2.8Å
1547E72.4Confident77.9Confident57 Ų5779.8 Ų79.827%0.26642%0.415SS..Hα-helixtrans-61.8-41.9174.6-170.9-177.8137.900112R1543 V1545 L1550 R1551R1543-E1547 WeakPolarHBondContact O-CB 3.35Å; R1543-E1547 PolarHBondContact O-N 2.93Å; V1545-E1547 VanDerWaalsContact C-N 3.33Å; V1545-E1547 PolarHBondContact O-N 3.27Å; E1547-L1550 PolarHBondContact O-N 3.24Å; E1547-R1551 PolarHBondContact O-N 2.95Å; E1547-R1551 IonicContact OE1-CZ 3.68Å; E1547-R1551 IonicContact OE1-NH1 3.58Å; E1547-R1551 PolarHBondContact OE1-NH1 2.8Å; E1547-R1551 IonicContact OE1-NH2 2.72Å; E1547-R1551 PolarHBondContact OE1-NH2 3.42Å
1548R77Confident77.3Confident160 Ų16075.1 Ų75.160%0.60440%0.402SS*.Hα-helixtrans-65.3-41.9174.3-72177.9-170.197.5-13.7112.2A1544 V1545 L1550 R1551 A1552A1544-R1548 VanDerWaalsContact C-NH1 3.31Å; A1544-R1548 WeakPolarHBondContact O-CG 3.44Å; A1544-R1548 PolarHBondContact O-N 2.8Å; A1544-R1548 PolarHBondContact O-NH1 3.07Å; V1545-R1548 PolarHBondContact O-N 3.47Å; R1548-L1550 VanDerWaalsContact C-N 3.33Å; R1548-L1550 PolarHBondContact O-N 2.98Å; R1548-R1551 PolarHBondContact O-N 3.37Å; R1548-A1552 PolarHBondContact O-N 2.8Å
1549A73.8Confident77.4Confident45 Ų4577.9 Ų77.937%0.37242%0.416SS..Hα-helixtrans-62.6-40.3176.900000111.9V1545 A1546 H1553V1545-A1549 PolarHBondContact O-N 2.82Å; A1546-A1549 PolarHBondContact O-N 3.38Å; A1549-H1553 WeakPolarHBondContact O-CB 3.37Å; A1549-H1553 PolarHBondContact O-N 2.96Å; A1549-H1553 VanDerWaalsContact O-N 3.14Å
1550L79.2Confident76.5Confident123 Ų12378.1 Ų78.164%0.64441%0.411SS*.Hα-helixtrans-67.3-40.2174.5-71.7171.6000112.6A1546 E1547 R1548 H1553 L1554A1546-L1550 WeakPolarHBondContact O-CG 3.28Å; A1546-L1550 PolarHBondContact O-N 2.8Å; E1547-L1550 PolarHBondContact O-N 3.24Å; R1548-L1550 VanDerWaalsContact C-N 3.33Å; R1548-L1550 PolarHBondContact O-N 2.98Å; L1550-H1553 PolarHBondContact O-N 3.35Å; L1550-L1554 WeakPolarHBondContact O-CB 3.35Å; L1550-L1554 PolarHBondContact O-N 3.48Å
1551R82.7Confident75.7Confident126 Ų12679 Ų7948%0.47541%0.413SS..Hα-helixtrans-58.9-52.8172.9-77.7-166.3179.598.913.4111.7E1547 R1548 H1553 L1554 D1555E1547-R1551 PolarHBondContact O-N 2.95Å; E1547-R1551 IonicContact OE1-CZ 3.68Å; E1547-R1551 IonicContact OE1-NH1 3.58Å; E1547-R1551 PolarHBondContact OE1-NH1 2.8Å; E1547-R1551 IonicContact OE1-NH2 2.72Å; E1547-R1551 PolarHBondContact OE1-NH2 3.42Å; R1548-R1551 PolarHBondContact O-N 3.37Å; R1551-H1553 PolarHBondContact O-N 2.81Å; R1551-H1553 VanDerWaalsContact O-N 3.12Å; R1551-L1554 CarbonylContact O-C 3.54Å; R1551-L1554 WeakPolarHBondContact O-CA 3.42Å; R1551-L1554 WeakPolarHBondContact O-CB 3.34Å; R1551-L1554 PolarHBondContact O-N 2.8Å; R1551-D1555 VanDerWaalsContact O-CG 3.27Å; R1551-D1555 PolarHBondContact O-N 3.4Å; R1551-D1555 VanDerWaalsContact O-OD2 3.13Å
1552A74.8Confident75Confident39 Ų3979.4 Ų79.432%0.32242%0.415SS..Hα-helixtrans-58.2-30.4178.900000113.3R1548 A1556R1548-A1552 PolarHBondContact O-N 2.8Å; A1552-A1556 WeakPolarHBondContact O-CB 3.32Å; A1552-A1556 PolarHBondContact O-N 2.65Å; A1552-A1556 VanDerWaalsContact O-N 3.13Å
1553H76.4Confident74.2Confident87 Ų8779.8 Ų79.840%0.40341%0.413SS..Hα-helixtrans-75.2-30.4175-148.3-49.3000113.2A1549 L1550 R1551 L1557A1549-H1553 WeakPolarHBondContact O-CB 3.37Å; A1549-H1553 PolarHBondContact O-N 2.96Å; A1549-H1553 VanDerWaalsContact O-N 3.14Å; L1550-H1553 PolarHBondContact O-N 3.35Å; R1551-H1553 PolarHBondContact O-N 2.81Å; R1551-H1553 VanDerWaalsContact O-N 3.12Å; H1553-L1557 VanDerWaalsContact CE1-CD1 3.42Å; H1553-L1557 WeakPolarHBondContact CE1-CD1 3.49Å; H1553-L1557 WeakPolarHBondContact O-CG 3.44Å; H1553-L1557 PolarHBondContact O-N 3.48Å
1554L75.7Confident73.2Confident100 Ų10081 Ų8152%0.52442%0.422SS..Hα-helixtrans-77.4-42175.9-160159.4000110.5L1550 R1551 A1556 L1557 I1558L1550-L1554 WeakPolarHBondContact O-CB 3.35Å; L1550-L1554 PolarHBondContact O-N 3.48Å; R1551-L1554 CarbonylContact O-C 3.54Å; R1551-L1554 WeakPolarHBondContact O-CA 3.42Å; R1551-L1554 WeakPolarHBondContact O-CB 3.34Å; R1551-L1554 PolarHBondContact O-N 2.8Å; L1554-A1556 VanDerWaalsContact C-N 3.32Å; L1554-A1556 PolarHBondContact O-N 3.13Å; L1554-L1557 PolarHBondContact O-N 3.12Å; L1554-L1557 VanDerWaalsContact O-N 3.14Å; L1554-I1558 HydrophobicContact CD2-CD1 3.54Å; L1554-I1558 HydrophobicContact CD2-CG1 4.11Å; L1554-I1558 WeakPolarHBondContact O-CG1 3.04Å; L1554-I1558 PolarHBondContact O-N 3.28Å
1555D76Confident72.1Confident89 Ų8984.4 Ų84.448%0.47643%0.434SS..Hα-helixtrans-58.7-43.2172.4-60.5-37.2000111.1R1551 L1557 I1558 I1559R1551-D1555 VanDerWaalsContact O-CG 3.27Å; R1551-D1555 PolarHBondContact O-N 3.4Å; R1551-D1555 VanDerWaalsContact O-OD2 3.13Å; D1555-L1557 VanDerWaalsContact C-N 3.34Å; D1555-L1557 PolarHBondContact O-N 3.28Å; D1555-I1558 PolarHBondContact O-N 3.27Å; D1555-I1559 VanDerWaalsContact O-CG1 3.32Å; D1555-I1559 WeakPolarHBondContact O-CG1 3.34Å; D1555-I1559 PolarHBondContact O-N 3.24Å
1556A72.3Confident71Confident34 Ų3484.6 Ų84.628%0.28144%0.437SS..Hα-helixtrans-60.9-40.2174.700000112.7A1552 L1554 I1559 E1560A1552-A1556 WeakPolarHBondContact O-CB 3.32Å; A1552-A1556 PolarHBondContact O-N 2.65Å; A1552-A1556 VanDerWaalsContact O-N 3.13Å; L1554-A1556 VanDerWaalsContact C-N 3.32Å; L1554-A1556 PolarHBondContact O-N 3.13Å; A1556-I1559 PolarHBondContact O-N 3.21Å; A1556-E1560 PolarHBondContact O-N 3.05Å
1557L75.5Confident70Confident92 Ų9287 Ų8748%0.48244%0.442SS..Hα-helixtrans-68.5-37175.8-74.7166.4000112.3H1553 L1554 D1555 E1560 Q1561H1553-L1557 VanDerWaalsContact CE1-CD1 3.42Å; H1553-L1557 WeakPolarHBondContact CE1-CD1 3.49Å; H1553-L1557 WeakPolarHBondContact O-CG 3.44Å; H1553-L1557 PolarHBondContact O-N 3.48Å; L1554-L1557 PolarHBondContact O-N 3.12Å; L1554-L1557 VanDerWaalsContact O-N 3.14Å; D1555-L1557 VanDerWaalsContact C-N 3.34Å; D1555-L1557 PolarHBondContact O-N 3.28Å; L1557-E1560 PolarHBondContact O-N 3.42Å; L1557-Q1561 WeakPolarHBondContact O-CB 3.11Å; L1557-Q1561 PolarHBondContact O-N 3.41Å
1558I75Confident68.9Low59 Ų5989.2 Ų89.230%0.30345%0.451SS..Hα-helixtrans-63.6-43.4173.1-71.3172.3000110.6L1554 D1555 Q1561 N1562L1554-I1558 HydrophobicContact CD2-CD1 3.54Å; L1554-I1558 HydrophobicContact CD2-CG1 4.11Å; L1554-I1558 WeakPolarHBondContact O-CG1 3.04Å; L1554-I1558 PolarHBondContact O-N 3.28Å; D1555-I1558 PolarHBondContact O-N 3.27Å; I1558-Q1561 PolarHBondContact O-N 3.38Å; I1558-N1562 WeakPolarHBondContact O-CB 3.41Å; I1558-N1562 PolarHBondContact O-N 2.85Å; I1558-N1562 PolarHBondContact O-ND2 2.97Å
1559I75.6Confident67.5Low95 Ų9587.2 Ų87.249%0.48745%0.453SS..Hα-helixtrans-63.7-40.3176.4-68.7163.8000111D1555 A1556 N1563D1555-I1559 VanDerWaalsContact O-CG1 3.32Å; D1555-I1559 WeakPolarHBondContact O-CG1 3.34Å; D1555-I1559 PolarHBondContact O-N 3.24Å; A1556-I1559 PolarHBondContact O-N 3.21Å; I1559-N1563 PolarHBondContact O-N 3.28Å; I1559-N1563 VanDerWaalsContact O-N 3.14Å; I1559-N1563 PolarHBondContact O-ND2 3.11Å
1560E68.1Low66.2Low80 Ų8091.9 Ų91.937%0.37447%0.466SS..Hα-helixtrans-65.5-47.2175.2-164.5-177.1149.400111.5A1556 L1557 N1562 N1563 Q1564A1556-E1560 PolarHBondContact O-N 3.05Å; L1557-E1560 PolarHBondContact O-N 3.42Å; E1560-N1562 PolarHBondContact O-N 3.39Å; E1560-N1563 PolarHBondContact O-N 3.06Å; E1560-N1563 VanDerWaalsContact O-N 3.14Å; E1560-Q1564 WeakPolarHBondContact O-CG 3.29Å; E1560-Q1564 PolarHBondContact O-N 2.82Å; E1560-Q1564 PolarHBondContact OE1-NE2 3.17Å; E1560-Q1564 VanDerWaalsContact OE1-NE2 3.13Å
1561Q64.6Low64.6Low118 Ų11890.7 Ų90.755%0.55146%0.461SS*.Hα-helixtrans-63.1-40.2-179.8-168.8-179.89.700112.4L1557 I1558 N1563 Q1564 Q1565L1557-Q1561 WeakPolarHBondContact O-CB 3.11Å; L1557-Q1561 PolarHBondContact O-N 3.41Å; I1558-Q1561 PolarHBondContact O-N 3.38Å; Q1561-N1563 VanDerWaalsContact C-N 3.33Å; Q1561-N1563 PolarHBondContact O-N 2.9Å; Q1561-Q1564 PolarHBondContact O-N 2.54Å; Q1561-Q1565 WeakPolarHBondContact O-CG 3.37Å; Q1561-Q1565 PolarHBondContact O-N 3.24Å; Q1561-Q1565 VanDerWaalsContact O-N 3.14Å
1562N68Low62.6Low89 Ų8988.9 Ų88.948%0.47646%0.457SS..Hα-helixtrans-65.5-34.9174.7-77.4-28.9000112.2I1558 E1560 Q1565 S1566I1558-N1562 WeakPolarHBondContact O-CB 3.41Å; I1558-N1562 PolarHBondContact O-N 2.85Å; I1558-N1562 PolarHBondContact O-ND2 2.97Å; E1560-N1562 PolarHBondContact O-N 3.39Å; N1562-Q1565 PolarHBondContact O-N 3.31Å; N1562-S1566 PolarHBondContact O-N 3.37Å
1563N58.8Low60.8Low64 Ų6491.1 Ų91.134%0.34247%0.47SS..Hα-helixtrans-74.5-33.3174.9-81.3-64.6000113.3I1559 E1560 Q1561 Q1565 S1566 I1567I1559-N1563 PolarHBondContact O-N 3.28Å; I1559-N1563 VanDerWaalsContact O-N 3.14Å; I1559-N1563 PolarHBondContact O-ND2 3.11Å; E1560-N1563 PolarHBondContact O-N 3.06Å; E1560-N1563 VanDerWaalsContact O-N 3.14Å; Q1561-N1563 VanDerWaalsContact C-N 3.33Å; Q1561-N1563 PolarHBondContact O-N 2.9Å; N1563-Q1565 VanDerWaalsContact C-N 3.27Å; N1563-Q1565 PolarHBondContact O-N 2.82Å; N1563-S1566 PolarHBondContact O-N 3.04Å; N1563-S1566 PolarHBondContact O-OG 3.08Å; N1563-I1567 VanDerWaalsContact O-CG1 3.31Å; N1563-I1567 WeakPolarHBondContact O-CG1 3.4Å; N1563-I1567 PolarHBondContact O-N 2.85Å
1564Q57.4Low59.2Low115 Ų11592 Ų9254%0.53748%0.477SS..Hα-helixtrans-62.2-37.1170.4-68.2-179.22100111.1E1560 Q1561 F1568E1560-Q1564 WeakPolarHBondContact O-CG 3.29Å; E1560-Q1564 PolarHBondContact O-N 2.82Å; E1560-Q1564 PolarHBondContact OE1-NE2 3.17Å; E1560-Q1564 VanDerWaalsContact OE1-NE2 3.13Å; Q1561-Q1564 PolarHBondContact O-N 2.54Å; Q1564-F1568 PolarHBondContact O-N 2.95Å; Q1564-F1568 VanDerWaalsContact O-N 3.17Å
1565Q54.9Low57.5Low97 Ų9792.8 Ų92.845%0.45349%0.486SS..Hα-helixtrans-68.8-37.7171.9-67.8177.941.100113.1Q1561 N1562 N1563 F1568 N1569Q1561-Q1565 WeakPolarHBondContact O-CG 3.37Å; Q1561-Q1565 PolarHBondContact O-N 3.24Å; Q1561-Q1565 VanDerWaalsContact O-N 3.14Å; N1562-Q1565 PolarHBondContact O-N 3.31Å; N1563-Q1565 VanDerWaalsContact C-N 3.27Å; N1563-Q1565 PolarHBondContact O-N 2.82Å; Q1565-F1568 PolarHBondContact O-N 3.05Å; Q1565-N1569 PolarHBondContact O-N 2.68Å; Q1565-N1569 PolarHBondContact O-ND2 2.8Å
1566S54.5Low55.5Low56 Ų5694.3 Ų94.339%0.39250%0.499SS..Hα-helixtrans-66.4-39.8177.780.80000111.9N1562 N1563 F1568 N1569 H1570N1562-S1566 PolarHBondContact O-N 3.37Å; N1563-S1566 PolarHBondContact O-N 3.04Å; N1563-S1566 PolarHBondContact O-OG 3.08Å; S1566-F1568 VanDerWaalsContact C-N 3.35Å; S1566-F1568 PolarHBondContact O-N 2.85Å; S1566-N1569 PolarHBondContact O-N 2.75Å; S1566-H1570 PolarHBondContact O-N 3.3Å
1567I56.4Low53.5Low101 Ų101101.3 Ų101.352%0.51853%0.525SS..Hα-helixtrans-62.4-40.9173.6-68.1164.8000111.1N1563 H1570 N1571N1563-I1567 VanDerWaalsContact O-CG1 3.31Å; N1563-I1567 WeakPolarHBondContact O-CG1 3.4Å; N1563-I1567 PolarHBondContact O-N 2.85Å; I1567-H1570 PolarHBondContact O-N 3.14Å; I1567-N1571 PolarHBondContact O-N 2.97Å; I1567-N1571 VanDerWaalsContact O-N 3.16Å; I1567-N1571 PolarHBondContact O-ND2 3.02Å
1568F50.2Low51.4Low105 Ų105105.7 Ų105.746%0.46154%0.541SS..Hα-helixtrans-63.3-44.9176.4-143-93000111.7Q1564 Q1565 S1566 H1570 N1571 H1572Q1564-F1568 PolarHBondContact O-N 2.95Å; Q1564-F1568 VanDerWaalsContact O-N 3.17Å; Q1565-F1568 PolarHBondContact O-N 3.05Å; S1566-F1568 VanDerWaalsContact C-N 3.35Å; S1566-F1568 PolarHBondContact O-N 2.85Å; F1568-H1570 PolarHBondContact O-N 3.43Å; F1568-N1571 PolarHBondContact O-N 3.49Å; F1568-H1572 PolarHBondContact O-N 2.94Å
1569N47.2Very low49.3Very low118 Ų118110.1 Ų110.163%0.63157%0.565SS**Hα-helixtrans-64.8-36.5176.3-75-33.6000113Q1565 S1566 H1572Q1565-N1569 PolarHBondContact O-N 2.68Å; Q1565-N1569 PolarHBondContact O-ND2 2.8Å; S1566-N1569 PolarHBondContact O-N 2.75Å; N1569-H1572 PolarHBondContact O-N 3.17Å
1570H47.7Very low47.2Very low142 Ų142114.7 Ų114.766%0.65758%0.581SS**Hα-helixtrans-68.8-40179.6-139.265000112.1S1566 I1567 F1568 H1572 S1573S1566-H1570 PolarHBondContact O-N 3.3Å; I1567-H1570 PolarHBondContact O-N 3.14Å; F1568-H1570 PolarHBondContact O-N 3.43Å; H1570-H1572 VanDerWaalsContact C-N 3.27Å; H1570-H1572 PolarHBondContact O-N 2.97Å; H1570-S1573 PolarHBondContact O-N 3.4Å
1571N44.3Very low45.4Very low99 Ų99117.1 Ų117.153%0.52960%0.602SS.*Hα-helixtrans-63.7-31.2175.7-75.1-45.2000112.9I1567 F1568 S1573I1567-N1571 PolarHBondContact O-N 2.97Å; I1567-N1571 VanDerWaalsContact O-N 3.16Å; I1567-N1571 PolarHBondContact O-ND2 3.02Å; F1568-N1571 PolarHBondContact O-N 3.49Å; N1571-S1573 VanDerWaalsContact C-N 3.26Å; N1571-S1573 PolarHBondContact O-N 2.8Å
1572H41.3Very low43.7Very low88 Ų88117.8 Ų117.841%0.40761%0.614SS.*Hα-helixtrans-72.6-16.9-180-143.3-44.4000113.9F1568 N1569 H1570F1568-H1572 PolarHBondContact O-N 2.94Å; N1569-H1572 PolarHBondContact O-N 3.17Å; H1570-H1572 VanDerWaalsContact C-N 3.27Å; H1570-H1572 PolarHBondContact O-N 2.97Å
1573S36.3Very low42.2Very low85 Ų85118.7 Ų118.759%0.59463%0.625SS**Hα-helixtrans-86-22.7-179.7-1610000113.8H1570 N1571 V1575H1570-S1573 PolarHBondContact O-N 3.4Å; N1571-S1573 VanDerWaalsContact C-N 3.26Å; N1571-S1573 PolarHBondContact O-N 2.8Å; S1573-V1575 VanDerWaalsContact C-N 3.3Å; S1573-V1575 PolarHBondContact O-N 3.32Å
1574I43.7Very low40.9Very low107 Ų107121 Ų12155%0.54964%0.642SS.*G310 helixtrans-74.4-17.9-171.8-66.7172.3000113T1576I1574-T1576 VanDerWaalsContact C-N 3.31Å; I1574-T1576 PolarHBondContact O-N 2.91Å
1575V40.3Very low39.9Very low116 Ų116121.6 Ų121.670%0.70365%0.647SS**G310 helixtrans-76.4-16.2-175.1-176.30000113.1S1573S1573-V1575 VanDerWaalsContact C-N 3.3Å; S1573-V1575 PolarHBondContact O-N 3.32Å
1576T34.3Very low39.2Very low121 Ų121123.4 Ų123.474%0.74266%0.66SS**G310 helixtrans-99.4-4.7-163.7-17.90000116I1574I1574-T1576 VanDerWaalsContact C-N 3.31Å; I1574-T1576 PolarHBondContact O-N 2.91Å
1577E30Very low38.6Very low180 Ų180127.5 Ų127.584%0.84167%0.673SS**  trans-13347-168.4-150.6167.6-141.300115.9N1579E1577-N1579 PolarHBondContact O-N 2.91Å
1578F31.2Very low37.9Very low184 Ų184126.5 Ų126.581%0.80768%0.675SS**  trans-92.770.9169-96.4-82.6000112.9
1579N30.1Very low37.6Very low152 Ų152126.7 Ų126.781%0.81368%0.68SS**  trans-163.559.8164.7-112.7-42.7000117.7E1577E1577-N1579 PolarHBondContact O-N 2.91Å
1580K31.3Very low37.5Very low191 Ų191128 Ų12883%0.8368%0.682SS**SBendtrans174.6140.5132.3-95.7153.4-171.5172.30114.9
1581T30.6Very low37.4Very low132 Ų132126.7 Ų126.781%0.8168%0.68SS**  trans52.1107.1154.350.80000120.5
1582T29.7Very low37.7Very low131 Ų131126.6 Ų126.680%0.80468%0.682SS**  trans-47166.4153.743.20000116.2
1583P36.1Very low38.1Very low109 Ų109126.7 Ų126.771%0.70869%0.686SS**  cis-141.2133.6-1330.6-8.9000116.5
1584T32.5Very low38.9Very low113 Ų113128.2 Ų128.269%0.69368%0.683SS**  trans-145.1116.8155.2-59.60000109.8
1585I34.9Very low39.5Very low127 Ų127128 Ų12865%0.65168%0.683SS**  trans-118.2-9-176.7-71.7176.9000113.1Q1587I1585-Q1587 PolarHBondContact O-N 3.45Å
1586N40.6Very low40.3Very low135 Ų135128 Ų12872%0.72268%0.676SS**SBendtrans-86.7-2.9-171-69.75.4000115.8
1587Q42.1Very low41.7Very low142 Ų142126.4 Ų126.466%0.66466%0.662SS**SBendtrans-99-25.2-176.3-77.3177.9-43.300114.5I1585 I1589I1585-Q1587 PolarHBondContact O-N 3.45Å; Q1587-I1589 PolarHBondContact O-N 2.87Å
1588S42.3Very low43.4Very low80 Ų80121.8 Ų121.856%0.55965%0.646SS**Hα-helixtrans-70.2-30.8179.548.60000113.4Q1590S1588-Q1590 PolarHBondContact O-N 3.11Å
1589I43.6Very low44.9Very low109 Ų109116.3 Ų116.356%0.55962%0.624SS**Hα-helixtrans-72-27.7-175.9-59.7175.8000112.2Q1587Q1587-I1589 PolarHBondContact O-N 2.87Å
1590Q44.3Very low46.6Very low146 Ų146113.4 Ų113.468%0.68261%0.609SS**Hα-helixtrans-75.4-35179.9-70.5-169.8-54.800113.2S1588 V1592 N1593 H1594S1588-Q1590 PolarHBondContact O-N 3.11Å; Q1590-V1592 PolarHBondContact O-N 2.91Å; Q1590-N1593 PolarHBondContact O-N 3.28Å; Q1590-H1594 PolarHBondContact O-N 2.87Å
1591N46.1Very low48.4Very low113 Ų113113.4 Ų113.460%0.60460%0.603SS**Hα-helixtrans-69.7-33.6-177.3-74.93.4000113H1594 N1595N1591-H1594 PolarHBondContact O-N 3.33Å; N1591-N1595 PolarHBondContact O-N 3.08Å; N1591-N1595 VanDerWaalsContact O-N 3.17Å
1592V50.6Low50.4Low97 Ų97108.7 Ų108.759%0.58858%0.581SS**Hα-helixtrans-62-51.8176-179.10000110.3Q1590 H1594 N1595 E1596Q1590-V1592 PolarHBondContact O-N 2.91Å; V1592-H1594 VanDerWaalsContact C-N 3.29Å; V1592-H1594 PolarHBondContact O-N 3.49Å; V1592-N1595 PolarHBondContact O-N 3.33Å; V1592-E1596 PolarHBondContact O-N 2.91Å
1593N49.6Very low52.1Low90 Ų90107.1 Ų107.148%0.48157%0.565SS.*Hα-helixtrans-64.2-32178.7-6915.8000112.6Q1590 I1597Q1590-N1593 PolarHBondContact O-N 3.28Å; N1593-I1597 WeakPolarHBondContact O-CB 3.41Å; N1593-I1597 WeakPolarHBondContact O-CD1 3.49Å; N1593-I1597 VanDerWaalsContact O-CG1 3.22Å; N1593-I1597 WeakPolarHBondContact O-CG1 3.39Å; N1593-I1597 PolarHBondContact O-N 3.48Å
1594H53.5Low53.8Low117 Ų117106 Ų10654%0.54256%0.555SS.*Hα-helixtrans-68.3-42.9178.9-155.975.8000111.8Q1590 N1591 V1592 E1596 I1597 V1598Q1590-H1594 PolarHBondContact O-N 2.87Å; N1591-H1594 PolarHBondContact O-N 3.33Å; V1592-H1594 VanDerWaalsContact C-N 3.29Å; V1592-H1594 PolarHBondContact O-N 3.49Å; H1594-E1596 PolarHBondContact O-N 3.02Å; H1594-I1597 PolarHBondContact O-N 3.04Å; H1594-V1598 WeakPolarHBondContact O-CG2 3.47Å; H1594-V1598 PolarHBondContact O-N 2.97Å
1595N55.8Low55.8Low102 Ų102105.4 Ų105.455%0.54554%0.543SS..Hα-helixtrans-63.5-41.3177.2-68.5-3.6000111.8N1591 V1592 V1598 L1599N1591-N1595 PolarHBondContact O-N 3.08Å; N1591-N1595 VanDerWaalsContact O-N 3.17Å; V1592-N1595 PolarHBondContact O-N 3.33Å; N1595-V1598 PolarHBondContact O-N 3.18Å; N1595-L1599 PolarHBondContact O-N 2.86Å
1596E56.2Low57.5Low118 Ų118102.4 Ų102.455%0.55153%0.529SS*.Hα-helixtrans-64.5-40.8175.6-169.4172.7-147.100111.9V1592 H1594 V1598 L1599 L1600V1592-E1596 PolarHBondContact O-N 2.91Å; H1594-E1596 PolarHBondContact O-N 3.02Å; E1596-V1598 PolarHBondContact O-N 3.38Å; E1596-L1599 PolarHBondContact O-N 3.35Å; E1596-L1600 HydrophobicContact CG-CD1 4.18Å; E1596-L1600 WeakPolarHBondContact O-CB 3.44Å; E1596-L1600 VanDerWaalsContact O-CG 3.29Å; E1596-L1600 WeakPolarHBondContact O-CG 3.26Å; E1596-L1600 PolarHBondContact O-N 3.13Å
1597I63.7Low59.2Low87 Ų87100.2 Ų100.245%0.44652%0.516SS..Hα-helixtrans-65.4-35.8174.5-72.6167.1000112.1N1593 H1594 R1601N1593-I1597 WeakPolarHBondContact O-CB 3.41Å; N1593-I1597 WeakPolarHBondContact O-CD1 3.49Å; N1593-I1597 VanDerWaalsContact O-CG1 3.22Å; N1593-I1597 WeakPolarHBondContact O-CG1 3.39Å; N1593-I1597 PolarHBondContact O-N 3.48Å; H1594-I1597 PolarHBondContact O-N 3.04Å; I1597-R1601 WeakPolarHBondContact O-CB 3.38Å; I1597-R1601 WeakPolarHBondContact O-CG 3.29Å; I1597-R1601 PolarHBondContact O-N 3.08Å
1598V66.9Low60.7Low82 Ų8298.7 Ų98.750%0.49751%0.512SS..Hα-helixtrans-69.1-43.7175.11700000111H1594 N1595 E1596 R1601 G1602H1594-V1598 WeakPolarHBondContact O-CG2 3.47Å; H1594-V1598 PolarHBondContact O-N 2.97Å; N1595-V1598 PolarHBondContact O-N 3.18Å; E1596-V1598 PolarHBondContact O-N 3.38Å; V1598-R1601 PolarHBondContact O-N 2.59Å; V1598-G1602 PolarHBondContact O-N 2.83Å
1599L61.4Low62.3Low69 Ų69101.5 Ų101.536%0.36152%0.516SS..Hα-helixtrans-58.2-49.1172.9-96.6153.2000112N1595 E1596 R1601 G1602 Q1603N1595-L1599 PolarHBondContact O-N 2.86Å; E1596-L1599 PolarHBondContact O-N 3.35Å; L1599-R1601 VanDerWaalsContact C-N 3.34Å; L1599-R1601 PolarHBondContact O-N 3.47Å; L1599-G1602 PolarHBondContact O-N 2.66Å; L1599-Q1603 WeakPolarHBondContact O-CG 3.5Å; L1599-Q1603 PolarHBondContact O-N 3.5Å
1600L67.1Low63.6Low92 Ų9298.6 Ų98.648%0.48251%0.509SS..Hα-helixtrans-63.1-38.3177.3-72.1168.1000112.1E1596 V1604E1596-L1600 HydrophobicContact CG-CD1 4.18Å; E1596-L1600 WeakPolarHBondContact O-CB 3.44Å; E1596-L1600 VanDerWaalsContact O-CG 3.29Å; E1596-L1600 WeakPolarHBondContact O-CG 3.26Å; E1596-L1600 PolarHBondContact O-N 3.13Å; L1600-V1604 WeakPolarHBondContact O-CB 3.2Å; L1600-V1604 VanDerWaalsContact O-CG2 3.26Å; L1600-V1604 WeakPolarHBondContact O-CG2 3.42Å; L1600-V1604 PolarHBondContact O-N 2.9Å
1601R68.9Low64.9Low190 Ų19096.1 Ų96.172%0.71750%0.5SS*.Hα-helixtrans-64.8-42.2172.8-84.2-178.7165-167.9-4.6112.6I1597 V1598 L1599 V1604 K1605I1597-R1601 WeakPolarHBondContact O-CB 3.38Å; I1597-R1601 WeakPolarHBondContact O-CG 3.29Å; I1597-R1601 PolarHBondContact O-N 3.08Å; V1598-R1601 PolarHBondContact O-N 2.59Å; L1599-R1601 VanDerWaalsContact C-N 3.34Å; L1599-R1601 PolarHBondContact O-N 3.47Å; R1601-V1604 PolarHBondContact O-N 3.43Å; R1601-K1605 WeakPolarHBondContact O-CB 3.28Å; R1601-K1605 PolarHBondContact O-N 2.89Å
1602G73Confident66.3Low33 Ų3395.5 Ų95.534%0.3449%0.493SS..Hα-helixtrans-61.8-48.4175.900000111.9V1598 L1599 V1604 K1605 N1606V1598-G1602 PolarHBondContact O-N 2.83Å; L1599-G1602 PolarHBondContact O-N 2.66Å; G1602-V1604 PolarHBondContact O-N 2.96Å; G1602-K1605 PolarHBondContact O-N 3.18Å; G1602-N1606 PolarHBondContact O-N 2.82Å
1603Q64.2Low67.5Low99 Ų9992.1 Ų92.146%0.46348%0.476SS..Hα-helixtrans-58.9-48.1174.8-73.8-177.6-13.600111.7L1599 K1605 N1606 L1607L1599-Q1603 WeakPolarHBondContact O-CG 3.5Å; L1599-Q1603 PolarHBondContact O-N 3.5Å; Q1603-K1605 PolarHBondContact O-N 2.65Å; Q1603-N1606 PolarHBondContact O-N 3.02Å; Q1603-L1607 VanDerWaalsContact O-CB 3.3Å; Q1603-L1607 WeakPolarHBondContact O-CB 3.46Å; Q1603-L1607 PolarHBondContact O-N 3.18Å
1604V73.3Confident68.4Low84 Ų8492.1 Ų92.151%0.50948%0.475SS..Hα-helixtrans-62.6-40.3177.9168.10000112.1L1600 R1601 G1602 L1607 L1608L1600-V1604 WeakPolarHBondContact O-CB 3.2Å; L1600-V1604 VanDerWaalsContact O-CG2 3.26Å; L1600-V1604 WeakPolarHBondContact O-CG2 3.42Å; L1600-V1604 PolarHBondContact O-N 2.9Å; R1601-V1604 PolarHBondContact O-N 3.43Å; G1602-V1604 PolarHBondContact O-N 2.96Å; V1604-L1607 PolarHBondContact O-N 3.1Å; V1604-L1608 HydrophobicContact CG1-CD1 3.9Å; V1604-L1608 HydrophobicContact CG1-CG 4.39Å; V1604-L1608 WeakPolarHBondContact O-CB 3.22Å; V1604-L1608 VanDerWaalsContact O-CG 3.3Å; V1604-L1608 WeakPolarHBondContact O-CG 3.49Å; V1604-L1608 PolarHBondContact O-N 2.76Å
1605K74Confident69.5Low101 Ų10193.2 Ų93.244%0.43947%0.474SS..Hα-helixtrans-64.2-44.7178-164.8173.9-171.1170.60111.4E63 R1601 G1602 Q1603 L1608 Q1609E63-K1605 IonicContact OE1-NZ 3.73Å; E63-K1605 PolarHBondContact OE1-NZ 2.95Å; E63-K1605 IonicContact OE2-NZ 2.93Å; E63-K1605 PolarHBondContact OE2-NZ 2.86Å; R1601-K1605 WeakPolarHBondContact O-CB 3.28Å; R1601-K1605 PolarHBondContact O-N 2.89Å; G1602-K1605 PolarHBondContact O-N 3.18Å; Q1603-K1605 PolarHBondContact O-N 2.65Å; K1605-L1608 PolarHBondContact O-N 3.29Å; K1605-Q1609 WeakPolarHBondContact O-CB 3.4Å; K1605-Q1609 PolarHBondContact O-N 3.3Å
1606N70.7Confident70.4Confident65 Ų6590.5 Ų90.535%0.34846%0.464SS..Hα-helixtrans-66.3-38.3176.3-70.71.8000112.2G1602 Q1603 Q1609 A1610G1602-N1606 PolarHBondContact O-N 2.82Å; Q1603-N1606 PolarHBondContact O-N 3.02Å; N1606-Q1609 PolarHBondContact O-N 2.89Å; N1606-A1610 WeakPolarHBondContact O-CB 3.37Å; N1606-A1610 PolarHBondContact O-N 2.77Å
1607L75.3Confident71.2Confident89 Ų8986.7 Ų86.747%0.46645%0.45SS..Hα-helixtrans-70-38.6178.9-147.9160.4000111.2Q1603 V1604 A1610 L1611Q1603-L1607 VanDerWaalsContact O-CB 3.3Å; Q1603-L1607 WeakPolarHBondContact O-CB 3.46Å; Q1603-L1607 PolarHBondContact O-N 3.18Å; V1604-L1607 PolarHBondContact O-N 3.1Å; L1607-A1610 PolarHBondContact O-N 2.65Å; L1607-L1611 HydrophobicContact CD2-CD1 3.69Å; L1607-L1611 HydrophobicContact CD2-CG 4.09Å; L1607-L1611 WeakPolarHBondContact O-CB 3.5Å; L1607-L1611 VanDerWaalsContact O-CG 3.29Å; L1607-L1611 WeakPolarHBondContact O-CG 3.2Å; L1607-L1611 PolarHBondContact O-N 3.45Å
1608L73.7Confident71.9Confident109 Ų10986 Ų8657%0.57145%0.45SS*.Hα-helixtrans-62.5-43.4170-74.7168.5000112.1V1604 K1605 L1611 E1612V1604-L1608 HydrophobicContact CG1-CD1 3.9Å; V1604-L1608 HydrophobicContact CG1-CG 4.39Å; V1604-L1608 WeakPolarHBondContact O-CB 3.22Å; V1604-L1608 VanDerWaalsContact O-CG 3.3Å; V1604-L1608 WeakPolarHBondContact O-CG 3.49Å; V1604-L1608 PolarHBondContact O-N 2.76Å; K1605-L1608 PolarHBondContact O-N 3.29Å; L1608-L1611 PolarHBondContact O-N 3.49Å; L1608-E1612 PolarHBondContact O-N 2.83Å
1609Q77.2Confident72.5Confident139 Ų13987.2 Ų87.265%0.6545%0.45SS*.Hα-helixtrans-68.1-35.1178.4-167.2166.98.300112.3K1605 N1606 A1613K1605-Q1609 WeakPolarHBondContact O-CB 3.4Å; K1605-Q1609 PolarHBondContact O-N 3.3Å; N1606-Q1609 PolarHBondContact O-N 2.89Å; Q1609-A1613 WeakPolarHBondContact O-CB 3.33Å; Q1609-A1613 PolarHBondContact O-N 3.02Å
1610A70.9Confident73.3Confident48 Ų4887.7 Ų87.740%0.39745%0.452SS..Hα-helixtrans-66.8-39.1171.200000112.3N1606 L1607 A1613 L1614N1606-A1610 WeakPolarHBondContact O-CB 3.37Å; N1606-A1610 PolarHBondContact O-N 2.77Å; L1607-A1610 PolarHBondContact O-N 2.65Å; A1610-A1613 PolarHBondContact O-N 3.47Å; A1610-L1614 WeakPolarHBondContact O-CB 3.17Å; A1610-L1614 PolarHBondContact O-N 3.18Å
1611L70.6Confident73.7Confident95 Ų9589 Ų8950%0.49746%0.456SS..Hα-helixtrans-66.9-40.4175.4-76.3168.5000112.4L1607 L1608 L1614 R1615L1607-L1611 HydrophobicContact CD2-CD1 3.69Å; L1607-L1611 HydrophobicContact CD2-CG 4.09Å; L1607-L1611 WeakPolarHBondContact O-CB 3.5Å; L1607-L1611 VanDerWaalsContact O-CG 3.29Å; L1607-L1611 WeakPolarHBondContact O-CG 3.2Å; L1607-L1611 PolarHBondContact O-N 3.45Å; L1608-L1611 PolarHBondContact O-N 3.49Å; L1611-L1614 PolarHBondContact O-N 3.4Å; L1611-R1615 VanDerWaalsContact O-CB 3.26Å; L1611-R1615 WeakPolarHBondContact O-CB 3.39Å; L1611-R1615 PolarHBondContact O-N 3.24Å
1612E76.6Confident74.2Confident99 Ų9986.2 Ų86.246%0.46345%0.451SS..Hα-helixtrans-69.7-33.9176.1-16667.9179.400111.9L1608 R1615 S1616L1608-E1612 PolarHBondContact O-N 2.83Å; E1612-R1615 PolarHBondContact O-N 3.23Å; E1612-R1615 IonicContact OE1-CZ 3.46Å; E1612-R1615 IonicContact OE1-NH1 3.98Å; E1612-R1615 PolarHBondContact OE1-NH1 3.45Å; E1612-R1615 WeakPolarHBondContact OE2-CD 3.39Å; E1612-R1615 IonicContact OE2-CZ 2.77Å; E1612-R1615 IonicContact OE2-NH1 3.28Å; E1612-R1615 PolarHBondContact OE2-NH1 2.85Å; E1612-S1616 WeakPolarHBondContact O-CB 3.32Å; E1612-S1616 PolarHBondContact O-N 2.92Å; E1612-S1616 PolarHBondContact O-OG 3.47Å
1613A75.3Confident74.7Confident27 Ų2789.4 Ų89.422%0.22346%0.459CS..Hα-helixtrans-65.7-38.4169.800000112.6V1545 Q1609 A1610 S1616 S1617V1545-A1613 HydrophobicContact CG1-CB 3.9Å; Q1609-A1613 WeakPolarHBondContact O-CB 3.33Å; Q1609-A1613 PolarHBondContact O-N 3.02Å; A1610-A1613 PolarHBondContact O-N 3.47Å; A1613-S1616 WeakPolarHBondContact CA-OG 3.47Å; A1613-S1616 PolarHBondContact O-OG 3.4Å; A1613-S1617 WeakPolarHBondContact O-CB 3.22Å; A1613-S1617 PolarHBondContact O-N 3.46Å; A1613-S1617 VanDerWaalsContact O-N 3.08Å
1614L68.2Low75.1Confident89 Ų8988.3 Ų88.347%0.46645%0.454SS..Hα-helixtrans-69.5-42.2175.2-155.8103.5000111.2A1610 L1611 S1617 T1618A1610-L1614 WeakPolarHBondContact O-CB 3.17Å; A1610-L1614 PolarHBondContact O-N 3.18Å; L1611-L1614 PolarHBondContact O-N 3.4Å; L1614-S1617 CarbonylContact O-C 3.53Å; L1614-S1617 WeakPolarHBondContact O-CB 3.42Å; L1614-S1617 PolarHBondContact O-N 3.3Å; L1614-T1618 PolarHBondContact O-N 2.9Å; L1614-T1618 PolarHBondContact O-OG1 2.86Å
1615R76.1Confident75.2Confident140 Ų14087.4 Ų87.453%0.52845%0.451SS..Hα-helixtrans-60.9-49.8177.6176.5176.1162.8-129-11.5111.8L1611 E1612 S1617 T1618 E1619L1611-R1615 VanDerWaalsContact O-CB 3.26Å; L1611-R1615 WeakPolarHBondContact O-CB 3.39Å; L1611-R1615 PolarHBondContact O-N 3.24Å; E1612-R1615 PolarHBondContact O-N 3.23Å; E1612-R1615 IonicContact OE1-CZ 3.46Å; E1612-R1615 IonicContact OE1-NH1 3.98Å; E1612-R1615 PolarHBondContact OE1-NH1 3.45Å; E1612-R1615 WeakPolarHBondContact OE2-CD 3.39Å; E1612-R1615 IonicContact OE2-CZ 2.77Å; E1612-R1615 IonicContact OE2-NH1 3.28Å; E1612-R1615 PolarHBondContact OE2-NH1 2.85Å; R1615-S1617 VanDerWaalsContact C-N 3.3Å; R1615-S1617 PolarHBondContact O-N 2.82Å; R1615-T1618 WeakPolarHBondContact CA-OG1 3.39Å; R1615-T1618 PolarHBondContact O-N 3.49Å; R1615-T1618 VanDerWaalsContact O-N 3.1Å; R1615-T1618 PolarHBondContact O-OG1 2.79Å; R1615-E1619 WeakPolarHBondContact O-CB 3.36Å; R1615-E1619 PolarHBondContact O-N 3.31Å
1616S74.2Confident75.6Confident46 Ų4688 Ų8832%0.32246%0.455SS..Hα-helixtrans-63.3-34.8174.349.70000112.2E1612 A1613 E1619 I1620E1612-S1616 WeakPolarHBondContact O-CB 3.32Å; E1612-S1616 PolarHBondContact O-N 2.92Å; E1612-S1616 PolarHBondContact O-OG 3.47Å; A1613-S1616 WeakPolarHBondContact CA-OG 3.47Å; A1613-S1616 PolarHBondContact O-OG 3.4Å; S1616-E1619 PolarHBondContact O-N 3.5Å; S1616-I1620 WeakPolarHBondContact O-CB 3.02Å; S1616-I1620 VanDerWaalsContact O-CG1 3.28Å; S1616-I1620 WeakPolarHBondContact O-CG1 3.21Å; S1616-I1620 PolarHBondContact O-N 3.31Å
1617S74.5Confident76.2Confident37 Ų3789.9 Ų89.926%0.25946%0.462SS..Hα-helixtrans-64.3-36.8170.5-171.90000113.1A1613 L1614 R1615 Q1621A1613-S1617 WeakPolarHBondContact O-CB 3.22Å; A1613-S1617 PolarHBondContact O-N 3.46Å; A1613-S1617 VanDerWaalsContact O-N 3.08Å; L1614-S1617 CarbonylContact O-C 3.53Å; L1614-S1617 WeakPolarHBondContact O-CB 3.42Å; L1614-S1617 PolarHBondContact O-N 3.3Å; R1615-S1617 VanDerWaalsContact C-N 3.3Å; R1615-S1617 PolarHBondContact O-N 2.82Å; S1617-Q1621 WeakPolarHBondContact O-CG 3.16Å; S1617-Q1621 PolarHBondContact O-N 3.48Å
1618T77.1Confident76.4Confident73 Ų7389.1 Ų89.145%0.44846%0.458SS..Hα-helixtrans-73.1-35.3174.849.90000112.6L1614 R1615 Q1621 Q1622L1614-T1618 PolarHBondContact O-N 2.9Å; L1614-T1618 PolarHBondContact O-OG1 2.86Å; R1615-T1618 WeakPolarHBondContact CA-OG1 3.39Å; R1615-T1618 PolarHBondContact O-N 3.49Å; R1615-T1618 VanDerWaalsContact O-N 3.1Å; R1615-T1618 PolarHBondContact O-OG1 2.79Å; T1618-Q1621 PolarHBondContact O-N 3.3Å; T1618-Q1622 PolarHBondContact O-N 2.92Å
1619E79.7Confident77Confident107 Ų10787.2 Ų87.250%0.545%0.451SS..Hα-helixtrans-63.9-43.5174.8-175168.6-151.400111.1R1615 S1616 Q1621 Q1622 I1623R1615-E1619 WeakPolarHBondContact O-CB 3.36Å; R1615-E1619 PolarHBondContact O-N 3.31Å; S1616-E1619 PolarHBondContact O-N 3.5Å; E1619-Q1621 VanDerWaalsContact C-N 3.35Å; E1619-Q1621 PolarHBondContact O-N 2.85Å; E1619-Q1622 PolarHBondContact O-N 3.07Å; E1619-I1623 HydrophobicContact CG-CD1 4.24Å; E1619-I1623 VanDerWaalsContact O-CG1 3.31Å; E1619-I1623 WeakPolarHBondContact O-CG1 3.15Å; E1619-I1623 PolarHBondContact O-N 3.32Å
1620I78.9Confident77.5Confident80 Ų8083.3 Ų83.341%0.4144%0.435SS..Hα-helixtrans-61.6-40.3172.9-69.9165.7000111.6L1538 S1616 I1623 Q1624L1538-I1620 HydrophobicContact CD2-CG2 3.84Å; S1616-I1620 WeakPolarHBondContact O-CB 3.02Å; S1616-I1620 VanDerWaalsContact O-CG1 3.28Å; S1616-I1620 WeakPolarHBondContact O-CG1 3.21Å; S1616-I1620 PolarHBondContact O-N 3.31Å; I1620-I1623 PolarHBondContact O-N 3.4Å; I1620-Q1624 VanDerWaalsContact O-CG 3.31Å; I1620-Q1624 WeakPolarHBondContact O-CG 3.37Å; I1620-Q1624 PolarHBondContact O-N 2.85Å
1621Q74.5Confident78.1Confident118 Ų11882.5 Ų82.555%0.55142%0.424SS*.Hα-helixtrans-66.2-37.5174.2-76.5-178.9-11.100112.5S1617 T1618 E1619 Q1624 S1625S1617-Q1621 WeakPolarHBondContact O-CG 3.16Å; S1617-Q1621 PolarHBondContact O-N 3.48Å; T1618-Q1621 PolarHBondContact O-N 3.3Å; E1619-Q1621 VanDerWaalsContact C-N 3.35Å; E1619-Q1621 PolarHBondContact O-N 2.85Å; Q1621-Q1624 PolarHBondContact O-N 3.35Å; Q1621-S1625 PolarHBondContact O-N 2.93Å
1622Q79.9Confident78.9Confident133 Ų13383 Ų8362%0.62143%0.426SS*.Hα-helixtrans-64.5-44.8175.3-172.8169.9-11.700110.9T1618 E1619 Q1624 S1625 E1626T1618-Q1622 PolarHBondContact O-N 2.92Å; E1619-Q1622 PolarHBondContact O-N 3.07Å; Q1622-Q1624 PolarHBondContact O-N 3.49Å; Q1622-S1625 PolarHBondContact O-N 2.86Å; Q1622-S1625 VanDerWaalsContact O-N 3.12Å; Q1622-S1625 PolarHBondContact O-OG 3.26Å; Q1622-E1626 PolarHBondContact O-N 3.22Å
1623I83.8Confident79.5Confident100 Ų10084 Ų8451%0.51343%0.429SS..Hα-helixtrans-59.5-44.8174.5-67.9163.6000111.2E1619 I1620 S1625 E1626 E1627E1619-I1623 HydrophobicContact CG-CD1 4.24Å; E1619-I1623 VanDerWaalsContact O-CG1 3.31Å; E1619-I1623 WeakPolarHBondContact O-CG1 3.15Å; E1619-I1623 PolarHBondContact O-N 3.32Å; I1620-I1623 PolarHBondContact O-N 3.4Å; I1623-S1625 VanDerWaalsContact C-N 3.31Å; I1623-S1625 PolarHBondContact O-N 3.32Å; I1623-E1626 PolarHBondContact O-N 2.92Å; I1623-E1627 WeakPolarHBondContact O-CB 2.8Å; I1623-E1627 PolarHBondContact O-N 3.5Å
1624Q71.7Confident80.2Confident76 Ų7690.6 Ų90.636%0.35545%0.448SS..Hα-helixtrans-59.1-40.5174-73170.722.600112.4L1538 I1620 Q1621 Q1622 L1628L1538-Q1624 HydrophobicContact CD1-CG 4.17Å; I1620-Q1624 VanDerWaalsContact O-CG 3.31Å; I1620-Q1624 WeakPolarHBondContact O-CG 3.37Å; I1620-Q1624 PolarHBondContact O-N 2.85Å; Q1621-Q1624 PolarHBondContact O-N 3.35Å; Q1622-Q1624 PolarHBondContact O-N 3.49Å; Q1624-L1628 VanDerWaalsContact O-CB 3.31Å; Q1624-L1628 WeakPolarHBondContact O-CB 3.23Å; Q1624-L1628 PolarHBondContact O-N 2.85Å
1625S75.9Confident81.1Confident64 Ų6489.1 Ų89.145%0.44845%0.449SS..Hα-helixtrans-68-39.1178.580.20000112.1Q1621 Q1622 I1623 V1629Q1621-S1625 PolarHBondContact O-N 2.93Å; Q1622-S1625 PolarHBondContact O-N 2.86Å; Q1622-S1625 VanDerWaalsContact O-N 3.12Å; Q1622-S1625 PolarHBondContact O-OG 3.26Å; I1623-S1625 VanDerWaalsContact C-N 3.31Å; I1623-S1625 PolarHBondContact O-N 3.32Å; S1625-V1629 WeakPolarHBondContact O-CB 3.18Å; S1625-V1629 VanDerWaalsContact O-CG2 3.3Å; S1625-V1629 WeakPolarHBondContact O-CG2 3.28Å; S1625-V1629 PolarHBondContact O-N 3.17Å
1626E83.6Confident81.4Confident113 Ų11386 Ų8653%0.52844%0.442SS..Hα-helixtrans-70.1-42.1176.4175.9163.7-166.300111.7Q1622 I1623 V1629 N1630Q1622-E1626 PolarHBondContact O-N 3.22Å; I1623-E1626 PolarHBondContact O-N 2.92Å; E1626-V1629 PolarHBondContact O-N 3.39Å; E1626-N1630 VanDerWaalsContact CG-ND2 3.3Å; E1626-N1630 WeakPolarHBondContact CG-ND2 3.43Å; E1626-N1630 VanDerWaalsContact O-CB 3.3Å; E1626-N1630 WeakPolarHBondContact O-CB 3.41Å; E1626-N1630 VanDerWaalsContact O-CG 3.22Å; E1626-N1630 PolarHBondContact O-N 2.85Å; E1626-N1630 PolarHBondContact O-ND2 3.46Å; E1626-N1630 PolarHBondContact OE1-ND2 3.26Å
1627E81.6Confident82.2Confident105 Ų10586 Ų8649%0.49144%0.442SS..Hα-helixtrans-62-45175-173.4174.9-148.700111I1623 V1629 N1630 D1631I1623-E1627 WeakPolarHBondContact O-CB 2.8Å; I1623-E1627 PolarHBondContact O-N 3.5Å; E1627-V1629 VanDerWaalsContact C-N 3.32Å; E1627-V1629 PolarHBondContact O-N 2.81Å; E1627-N1630 PolarHBondContact O-N 3.3Å; E1627-N1630 VanDerWaalsContact O-N 3.12Å; E1627-D1631 PolarHBondContact O-N 3.37Å
1628L80.9Confident82.7Confident73 Ų7386.9 Ų86.938%0.38245%0.452SS..Hα-helixtrans-58.5-43.1174.9179.864.7000111.8Q1624 L1632Q1624-L1628 VanDerWaalsContact O-CB 3.31Å; Q1624-L1628 WeakPolarHBondContact O-CB 3.23Å; Q1624-L1628 PolarHBondContact O-N 2.85Å; L1628-L1632 VanDerWaalsContact O-CB 3.3Å; L1628-L1632 WeakPolarHBondContact O-CB 3.42Å; L1628-L1632 PolarHBondContact O-N 3.33Å
1629V86Confident83.1Confident70 Ų7087.8 Ų87.842%0.42445%0.453SS..Hα-helixtrans-66-38.7175.6162.80000111.4S1625 E1626 E1627 L1632 K1633S1625-V1629 WeakPolarHBondContact O-CB 3.18Å; S1625-V1629 VanDerWaalsContact O-CG2 3.3Å; S1625-V1629 WeakPolarHBondContact O-CG2 3.28Å; S1625-V1629 PolarHBondContact O-N 3.17Å; E1626-V1629 PolarHBondContact O-N 3.39Å; E1627-V1629 VanDerWaalsContact C-N 3.32Å; E1627-V1629 PolarHBondContact O-N 2.81Å; V1629-L1632 PolarHBondContact O-N 2.86Å; V1629-K1633 HydrophobicContact CG1-CD 4.32Å; V1629-K1633 VanDerWaalsContact CG1-CE 3.44Å; V1629-K1633 VanDerWaalsContact O-CG 3.25Å; V1629-K1633 WeakPolarHBondContact O-CG 3.14Å; V1629-K1633 PolarHBondContact O-N 3.38Å
1630N86.4Confident83.7Confident57 Ų5787.4 Ų87.431%0.30545%0.454SS..Hα-helixtrans-73.2-35.2179.7-72.9-25.5000112.4E1626 E1627 K1633 R1634E1626-N1630 VanDerWaalsContact CG-ND2 3.3Å; E1626-N1630 WeakPolarHBondContact CG-ND2 3.43Å; E1626-N1630 VanDerWaalsContact O-CB 3.3Å; E1626-N1630 WeakPolarHBondContact O-CB 3.41Å; E1626-N1630 VanDerWaalsContact O-CG 3.22Å; E1626-N1630 PolarHBondContact O-N 2.85Å; E1626-N1630 PolarHBondContact O-ND2 3.46Å; E1626-N1630 PolarHBondContact OE1-ND2 3.26Å; E1627-N1630 PolarHBondContact O-N 3.3Å; E1627-N1630 VanDerWaalsContact O-N 3.12Å; N1630-K1633 PolarHBondContact O-N 3.06Å; N1630-K1633 PolarHBondContact OD1-NZ 3.18Å; N1630-R1634 WeakPolarHBondContact O-CB 3.49Å; N1630-R1634 PolarHBondContact O-N 3.07Å
1631D84.9Confident84.2Confident31 Ų3190.6 Ų90.617%0.16647%0.465CS..Hα-helixtrans-71.4-35.2169.9-105.513.2000112.3Y1527 E1627 R1634 A1635Y1527-D1631 PolarHBondContact OH-OD2 3.07Å; E1627-D1631 PolarHBondContact O-N 3.37Å; D1631-R1634 WeakPolarHBondContact O-CB 3.22Å; D1631-R1634 PolarHBondContact O-N 3.33Å; D1631-R1634 IonicContact OD1-CZ 2.75Å; D1631-R1634 IonicContact OD1-NE 2.73Å; D1631-R1634 PolarHBondContact OD1-NE 2.97Å; D1631-R1634 IonicContact OD1-NH2 3.72Å; D1631-R1634 PolarHBondContact OD1-NH2 2.73Å; D1631-A1635 VanDerWaalsContact O-CB 3.32Å; D1631-A1635 WeakPolarHBondContact O-CB 3.49Å; D1631-A1635 PolarHBondContact O-N 2.85Å
1632L86.9Confident84.6Confident104 Ų10487.4 Ų87.455%0.54546%0.459SS..Hα-helixtrans-64.4-42171.2-176.460.4000111.6L1628 V1629 N1636L1628-L1632 VanDerWaalsContact O-CB 3.3Å; L1628-L1632 WeakPolarHBondContact O-CB 3.42Å; L1628-L1632 PolarHBondContact O-N 3.33Å; V1629-L1632 PolarHBondContact O-N 2.86Å; L1632-N1636 VanDerWaalsContact O-CB 3.28Å; L1632-N1636 WeakPolarHBondContact O-CB 3.32Å; L1632-N1636 VanDerWaalsContact O-CG 3.3Å; L1632-N1636 PolarHBondContact O-N 2.86Å; L1632-N1636 PolarHBondContact O-ND2 2.92Å
1633K88.6Confident84.9Confident121 Ų12187.5 Ų87.553%0.52646%0.457SS..Hα-helixtrans-58.7-45169.4-71.1167.3-166.3159.50111V1629 N1630 S1637V1629-K1633 HydrophobicContact CG1-CD 4.32Å; V1629-K1633 VanDerWaalsContact CG1-CE 3.44Å; V1629-K1633 VanDerWaalsContact O-CG 3.25Å; V1629-K1633 WeakPolarHBondContact O-CG 3.14Å; V1629-K1633 PolarHBondContact O-N 3.38Å; N1630-K1633 PolarHBondContact O-N 3.06Å; N1630-K1633 PolarHBondContact OD1-NZ 3.18Å; K1633-S1637 WeakPolarHBondContact O-CB 3.47Å; K1633-S1637 PolarHBondContact O-N 3.39Å
1634R89.9Confident85.1Confident166 Ų16686.6 Ų86.663%0.62645%0.454SS*.Hα-helixtrans-60.9-50.4179.5-161.3-166.7-53.6-1021.8111.2N1630 D1631 S1637 A1638N1630-R1634 WeakPolarHBondContact O-CB 3.49Å; N1630-R1634 PolarHBondContact O-N 3.07Å; D1631-R1634 WeakPolarHBondContact O-CB 3.22Å; D1631-R1634 PolarHBondContact O-N 3.33Å; D1631-R1634 IonicContact OD1-CZ 2.75Å; D1631-R1634 IonicContact OD1-NE 2.73Å; D1631-R1634 PolarHBondContact OD1-NE 2.97Å; D1631-R1634 IonicContact OD1-NH2 3.72Å; D1631-R1634 PolarHBondContact OD1-NH2 2.73Å; R1634-S1637 WeakPolarHBondContact O-CB 3.35Å; R1634-S1637 PolarHBondContact O-N 3.32Å; R1634-S1637 PolarHBondContact O-OG 3.23Å; R1634-A1638 PolarHBondContact O-N 3.06Å
1635A86.9Confident85.9Confident57 Ų5791 Ų9147%0.47147%0.471SS..Hα-helixtrans-62-46.7177.800000112D1631 S1637 A1638 L1639D1631-A1635 VanDerWaalsContact O-CB 3.32Å; D1631-A1635 WeakPolarHBondContact O-CB 3.49Å; D1631-A1635 PolarHBondContact O-N 2.85Å; A1635-S1637 VanDerWaalsContact C-N 3.31Å; A1635-S1637 PolarHBondContact O-N 2.8Å; A1635-A1638 WeakPolarHBondContact O-CB 3.36Å; A1635-A1638 PolarHBondContact O-N 3.41Å; A1635-A1638 VanDerWaalsContact O-N 3.09Å; A1635-L1639 PolarHBondContact O-N 3.38Å
1636N84.3Confident86.5Confident75 Ų7591.4 Ų91.440%0.40147%0.471SS..Hα-helixtrans-60.8-39.2174.1-76.4-29.9000111.7L1632 A1638 L1639 I1640L1632-N1636 VanDerWaalsContact O-CB 3.28Å; L1632-N1636 WeakPolarHBondContact O-CB 3.32Å; L1632-N1636 VanDerWaalsContact O-CG 3.3Å; L1632-N1636 PolarHBondContact O-N 2.86Å; L1632-N1636 PolarHBondContact O-ND2 2.92Å; N1636-A1638 VanDerWaalsContact C-N 3.31Å; N1636-A1638 PolarHBondContact O-N 3.39Å; N1636-L1639 PolarHBondContact O-N 3.48Å; N1636-I1640 WeakPolarHBondContact O-CB 3.25Å; N1636-I1640 WeakPolarHBondContact O-CD1 3.08Å; N1636-I1640 WeakPolarHBondContact O-CG1 3.35Å; N1636-I1640 PolarHBondContact O-N 2.88Å
1637S89.2Confident86.8Confident46 Ų4691.5 Ų91.532%0.32247%0.47SS..Hα-helixtrans-63-36.6174.390.70000112.5K1633 R1634 A1635 K1641K1633-S1637 WeakPolarHBondContact O-CB 3.47Å; K1633-S1637 PolarHBondContact O-N 3.39Å; R1634-S1637 WeakPolarHBondContact O-CB 3.35Å; R1634-S1637 PolarHBondContact O-N 3.32Å; R1634-S1637 PolarHBondContact O-OG 3.23Å; A1635-S1637 VanDerWaalsContact C-N 3.31Å; A1635-S1637 PolarHBondContact O-N 2.8Å; S1637-K1641 WeakPolarHBondContact O-CB 3.35Å; S1637-K1641 WeakPolarHBondContact O-CD 3.3Å; S1637-K1641 WeakPolarHBondContact O-CG 3.28Å; S1637-K1641 PolarHBondContact O-N 3Å
1638A86.5Confident87.2Confident55 Ų5592.6 Ų92.646%0.45548%0.475SS..Hα-helixtrans-70.8-42.8176.500000111.3R1634 A1635 N1636 K1641 A1642R1634-A1638 PolarHBondContact O-N 3.06Å; A1635-A1638 WeakPolarHBondContact O-CB 3.36Å; A1635-A1638 PolarHBondContact O-N 3.41Å; A1635-A1638 VanDerWaalsContact O-N 3.09Å; N1636-A1638 VanDerWaalsContact C-N 3.31Å; N1636-A1638 PolarHBondContact O-N 3.39Å; A1638-K1641 PolarHBondContact O-N 3.31Å; A1638-A1642 WeakPolarHBondContact O-CB 3.37Å; A1638-A1642 PolarHBondContact O-N 2.99Å
1639L85.5Confident87.6Confident92 Ų9296.6 Ų96.648%0.48249%0.489SS..Hα-helixtrans-60.2-45.5174.4-168.375.5000111.3L1252 A1635 N1636 A1642 F1643L1252-L1639 HydrophobicContact CD1-CD1 3.83Å; A1635-L1639 PolarHBondContact O-N 3.38Å; N1636-L1639 PolarHBondContact O-N 3.48Å; L1639-A1642 PolarHBondContact O-N 2.85Å; L1639-F1643 VanDerWaalsContact O-CB 3.3Å; L1639-F1643 WeakPolarHBondContact O-CB 3.42Å; L1639-F1643 PolarHBondContact O-N 2.78Å
1640I90.8Very high87.7Confident100 Ų10099.9 Ų99.951%0.51350%0.495SS..Hα-helixtrans-64.1-40.4176.4-70.1164.7000111.2N1636 N1644N1636-I1640 WeakPolarHBondContact O-CB 3.25Å; N1636-I1640 WeakPolarHBondContact O-CD1 3.08Å; N1636-I1640 WeakPolarHBondContact O-CG1 3.35Å; N1636-I1640 PolarHBondContact O-N 2.88Å; I1640-N1644 WeakPolarHBondContact CG2-ND2 3.22Å; I1640-N1644 WeakPolarHBondContact O-CB 3.5Å; I1640-N1644 PolarHBondContact O-N 3.44Å; I1640-N1644 PolarHBondContact O-ND2 3.05Å
1641K89.3Confident87.8Confident146 Ų146100 Ų10064%0.63550%0.498SS*.Hα-helixtrans-64.5-43.4174-75.5164.2-176.6166.90111.6S1637 A1638 K1645S1637-K1641 WeakPolarHBondContact O-CB 3.35Å; S1637-K1641 WeakPolarHBondContact O-CD 3.3Å; S1637-K1641 WeakPolarHBondContact O-CG 3.28Å; S1637-K1641 PolarHBondContact O-N 3Å; A1638-K1641 PolarHBondContact O-N 3.31Å; K1641-K1645 WeakPolarHBondContact O-CB 3.38Å; K1641-K1645 PolarHBondContact O-N 3.41Å
1642A83.3Confident88Confident52 Ų52101 Ų10143%0.4351%0.505SS..Hα-helixtrans-64.1-49176.600000111.6A1638 L1639 N1644 K1645 V1646A1638-A1642 WeakPolarHBondContact O-CB 3.37Å; A1638-A1642 PolarHBondContact O-N 2.99Å; L1639-A1642 PolarHBondContact O-N 2.85Å; A1642-N1644 PolarHBondContact O-N 2.87Å; A1642-K1645 WeakPolarHBondContact O-CB 3.34Å; A1642-K1645 PolarHBondContact O-N 2.99Å; A1642-K1645 VanDerWaalsContact O-N 3.16Å; A1642-V1646 WeakPolarHBondContact O-CG2 3.46Å; A1642-V1646 PolarHBondContact O-N 3.2Å
1643F86.8Confident87.9Confident134 Ų134104 Ų10459%0.58851%0.509SS*.Hα-helixtrans-58.3-45.9176.3-178.9-98.8000111.7L1639 K1645 V1646 K1647L1639-F1643 VanDerWaalsContact O-CB 3.3Å; L1639-F1643 WeakPolarHBondContact O-CB 3.42Å; L1639-F1643 PolarHBondContact O-N 2.78Å; F1643-K1645 VanDerWaalsContact C-N 3.35Å; F1643-K1645 PolarHBondContact O-N 2.9Å; F1643-V1646 PolarHBondContact O-N 3.23Å; F1643-K1647 HydrophobicContact CE1-CD 4.11Å; F1643-K1647 WeakPolarHBondContact O-CB 3.28Å; F1643-K1647 PolarHBondContact O-N 2.77Å
1644N89Confident87.8Confident81 Ų81102.5 Ų102.543%0.43351%0.506SS..Hα-helixtrans-65.2-35.3176.4-79.4-53.3000112.9I1640 A1642 H1648I1640-N1644 WeakPolarHBondContact CG2-ND2 3.22Å; I1640-N1644 WeakPolarHBondContact O-CB 3.5Å; I1640-N1644 PolarHBondContact O-N 3.44Å; I1640-N1644 PolarHBondContact O-ND2 3.05Å; A1642-N1644 PolarHBondContact O-N 2.87Å; N1644-H1648 VanDerWaalsContact O-CB 3.28Å; N1644-H1648 WeakPolarHBondContact O-CB 3.44Å; N1644-H1648 PolarHBondContact O-N 2.86Å
1645K88.2Confident87.6Confident168 Ų168100.3 Ų100.373%0.7350%0.501SS*.Hα-helixtrans-67.2-40.8174.2-170.1175.5-176.7177.90112.1K1641 A1642 F1643 H1648 K1649K1641-K1645 WeakPolarHBondContact O-CB 3.38Å; K1641-K1645 PolarHBondContact O-N 3.41Å; A1642-K1645 WeakPolarHBondContact O-CB 3.34Å; A1642-K1645 PolarHBondContact O-N 2.99Å; A1642-K1645 VanDerWaalsContact O-N 3.16Å; F1643-K1645 VanDerWaalsContact C-N 3.35Å; F1643-K1645 PolarHBondContact O-N 2.9Å; K1645-H1648 PolarHBondContact O-N 2.93Å; K1645-K1649 PolarHBondContact O-N 3.07Å
1646V87.5Confident87.5Confident73 Ų73104.2 Ų104.244%0.44251%0.508SS..Hα-helixtrans-68.7-46.6175.5171.10000111.1A1642 F1643 H1648 K1649 Y1650A1642-V1646 WeakPolarHBondContact O-CG2 3.46Å; A1642-V1646 PolarHBondContact O-N 3.2Å; F1643-V1646 PolarHBondContact O-N 3.23Å; V1646-H1648 VanDerWaalsContact C-N 3.32Å; V1646-H1648 PolarHBondContact O-N 2.9Å; V1646-K1649 WeakPolarHBondContact O-CB 3.25Å; V1646-K1649 PolarHBondContact O-N 3.39Å; V1646-K1649 VanDerWaalsContact O-N 3.1Å; V1646-Y1650 HydrophobicContact CG1-CD2 3.68Å; V1646-Y1650 HydrophobicContact CG1-CE2 3.5Å; V1646-Y1650 VanDerWaalsContact O-CD2 3.31Å; V1646-Y1650 WeakPolarHBondContact O-CD2 3.47Å; V1646-Y1650 PolarHBondContact O-N 3.48Å
1647K90.9Very high87.3Confident115 Ų115105 Ų10550%0.551%0.511SS..Hα-helixtrans-54.6-46.7171.6-178.4177.9179.5178.90111F1643 Y1650 T1651F1643-K1647 HydrophobicContact CE1-CD 4.11Å; F1643-K1647 WeakPolarHBondContact O-CB 3.28Å; F1643-K1647 PolarHBondContact O-N 2.77Å; K1647-Y1650 PolarHBondContact O-N 3.36Å; K1647-T1651 WeakPolarHBondContact O-CB 3.38Å; K1647-T1651 PolarHBondContact O-N 2.93Å; K1647-T1651 PolarHBondContact O-OG1 3.43Å
1648H90.2Very high86.9Confident128 Ų128107.3 Ų107.359%0.59352%0.517SS*.Hα-helixtrans-63.1-41.6175.4-173.990.8000112.3N1644 K1645 V1646 Y1650 T1651 T1652N1644-H1648 VanDerWaalsContact O-CB 3.28Å; N1644-H1648 WeakPolarHBondContact O-CB 3.44Å; N1644-H1648 PolarHBondContact O-N 2.86Å; K1645-H1648 PolarHBondContact O-N 2.93Å; V1646-H1648 VanDerWaalsContact C-N 3.32Å; V1646-H1648 PolarHBondContact O-N 2.9Å; H1648-Y1650 VanDerWaalsContact C-N 3.34Å; H1648-Y1650 PolarHBondContact O-N 3.26Å; H1648-T1651 PolarHBondContact O-N 3.26Å; H1648-T1652 PolarHBondContact NE2-OG1 3.24Å; H1648-T1652 VanDerWaalsContact O-CB 3.25Å; H1648-T1652 WeakPolarHBondContact O-CB 3.3Å; H1648-T1652 PolarHBondContact O-N 3.46Å; H1648-T1652 PolarHBondContact O-OG1 2.88Å
1649K89.1Confident86.4Confident157 Ų157110.3 Ų110.368%0.68353%0.525SS*.Hα-helixtrans-58.7-44.1174.8-172.1-176.5179.8-173.90111.6K1645 V1646 R1653K1645-K1649 PolarHBondContact O-N 3.07Å; V1646-K1649 WeakPolarHBondContact O-CB 3.25Å; V1646-K1649 PolarHBondContact O-N 3.39Å; V1646-K1649 VanDerWaalsContact O-N 3.1Å; K1649-R1653 WeakPolarHBondContact O-CB 3.49Å; K1649-R1653 PolarHBondContact O-N 2.97Å
1650Y86.9Confident85.9Confident139 Ų139110.6 Ų110.655%0.54552%0.524SS..Hα-helixtrans-70.7-46.4176.4-74.8-62.1000112.8V1646 K1647 H1648 T1652 R1653 I1654V1646-Y1650 HydrophobicContact CG1-CD2 3.68Å; V1646-Y1650 HydrophobicContact CG1-CE2 3.5Å; V1646-Y1650 VanDerWaalsContact O-CD2 3.31Å; V1646-Y1650 WeakPolarHBondContact O-CD2 3.47Å; V1646-Y1650 PolarHBondContact O-N 3.48Å; K1647-Y1650 PolarHBondContact O-N 3.36Å; H1648-Y1650 VanDerWaalsContact C-N 3.34Å; H1648-Y1650 PolarHBondContact O-N 3.26Å; Y1650-T1652 VanDerWaalsContact C-N 3.28Å; Y1650-T1652 PolarHBondContact O-N 2.96Å; Y1650-R1653 CarbonylContact O-C 3.57Å; Y1650-R1653 PolarHBondContact O-N 2.94Å; Y1650-R1653 VanDerWaalsContact O-N 3.08Å; Y1650-I1654 WeakPolarHBondContact O-CB 3.47Å; Y1650-I1654 WeakPolarHBondContact O-CG1 3.39Å; Y1650-I1654 PolarHBondContact O-N 2.99Å
1651T88.6Confident84.7Confident61 Ų61112 Ų11237%0.37453%0.532SS..Hα-helixtrans-57.8-40.1175.1-59.30000111.8K1647 H1648 I1654 K1655K1647-T1651 WeakPolarHBondContact O-CB 3.38Å; K1647-T1651 PolarHBondContact O-N 2.93Å; K1647-T1651 PolarHBondContact O-OG1 3.43Å; H1648-T1651 PolarHBondContact O-N 3.26Å; T1651-I1654 PolarHBondContact O-N 3.03Å; T1651-K1655 WeakPolarHBondContact O-CB 3.49Å; T1651-K1655 WeakPolarHBondContact O-CG 3.45Å; T1651-K1655 PolarHBondContact O-N 3.32Å
1652T90.4Very high83.3Confident52 Ų52112.6 Ų112.632%0.31954%0.537SS..Hα-helixtrans-73.6-30.6176.9-66.40000112.2H1648 Y1650 K1656H1648-T1652 PolarHBondContact NE2-OG1 3.24Å; H1648-T1652 VanDerWaalsContact O-CB 3.25Å; H1648-T1652 WeakPolarHBondContact O-CB 3.3Å; H1648-T1652 PolarHBondContact O-N 3.46Å; H1648-T1652 PolarHBondContact O-OG1 2.88Å; Y1650-T1652 VanDerWaalsContact C-N 3.28Å; Y1650-T1652 PolarHBondContact O-N 2.96Å; T1652-K1656 WeakPolarHBondContact O-CG 3.16Å; T1652-K1656 PolarHBondContact O-N 2.77Å
1653R84.5Confident82.1Confident166 Ų166114.5 Ų114.563%0.62655%0.547SS*.Hα-helixtrans-69.5-41.4169.6-173.3170.7-178.3150.42111.8K1649 Y1650 K1656 L1657K1649-R1653 WeakPolarHBondContact O-CB 3.49Å; K1649-R1653 PolarHBondContact O-N 2.97Å; Y1650-R1653 CarbonylContact O-C 3.57Å; Y1650-R1653 PolarHBondContact O-N 2.94Å; Y1650-R1653 VanDerWaalsContact O-N 3.08Å; R1653-K1656 PolarHBondContact O-N 2.77Å; R1653-L1657 HydrophobicContact CG-CD1 4.27Å; R1653-L1657 WeakPolarHBondContact O-CG 3.3Å; R1653-L1657 PolarHBondContact O-N 2.77Å
1654I85.2Confident80.2Confident90 Ų90114 Ų11446%0.46255%0.549SS..Hα-helixtrans-59.2-51.9173.5-70.1164.5000109.3Y1650 T1651 K1656 L1657 E1658Y1650-I1654 WeakPolarHBondContact O-CB 3.47Å; Y1650-I1654 WeakPolarHBondContact O-CG1 3.39Å; Y1650-I1654 PolarHBondContact O-N 2.99Å; T1651-I1654 PolarHBondContact O-N 3.03Å; I1654-K1656 VanDerWaalsContact C-N 3.26Å; I1654-K1656 PolarHBondContact O-N 2.82Å; I1654-L1657 CarbonylContact O-C 3.57Å; I1654-L1657 WeakPolarHBondContact O-CA 3.47Å; I1654-L1657 WeakPolarHBondContact O-CB 3.45Å; I1654-L1657 PolarHBondContact O-N 3.42Å; I1654-E1658 HydrophobicContact CG2-CG 4.09Å; I1654-E1658 WeakPolarHBondContact O-CG 3.41Å; I1654-E1658 PolarHBondContact O-N 3.39Å
1655K87.3Confident77.9Confident120 Ų120118.7 Ų118.752%0.52257%0.568SS.*Hα-helixtrans-56.5-35.2174.9-76-177.9174.4-169.70114.2T1651 E1658 N1659T1651-K1655 WeakPolarHBondContact O-CB 3.49Å; T1651-K1655 WeakPolarHBondContact O-CG 3.45Å; T1651-K1655 PolarHBondContact O-N 3.32Å; K1655-E1658 WeakPolarHBondContact CA-OE2 3.37Å; K1655-N1659 WeakPolarHBondContact O-CB 3.19Å; K1655-N1659 PolarHBondContact O-N 2.97Å; K1655-N1659 PolarHBondContact O-OD1 2.75Å
1656K84.3Confident75.6Confident139 Ų139116.1 Ų116.160%0.60457%0.569SS**Hα-helixtrans-69.1-40.1173.8-77.1-174.4175.1-164.70112.3T1652 R1653 I1654 N1659 Q1660T1652-K1656 WeakPolarHBondContact O-CG 3.16Å; T1652-K1656 PolarHBondContact O-N 2.77Å; R1653-K1656 PolarHBondContact O-N 2.77Å; I1654-K1656 VanDerWaalsContact C-N 3.26Å; I1654-K1656 PolarHBondContact O-N 2.82Å; K1656-N1659 PolarHBondContact O-N 3.04Å; K1656-Q1660 WeakPolarHBondContact O-CB 3.39Å; K1656-Q1660 VanDerWaalsContact O-CG 3.31Å; K1656-Q1660 WeakPolarHBondContact O-CG 3.43Å; K1656-Q1660 PolarHBondContact O-N 3.04Å
1657L80.5Confident73.1Confident92 Ų92120.2 Ų120.248%0.48259%0.586SS.*Hα-helixtrans-69-39.1174.5-67.7167.9000112.1R1653 I1654 Q1660 L1661R1653-L1657 HydrophobicContact CG-CD1 4.27Å; R1653-L1657 WeakPolarHBondContact O-CG 3.3Å; R1653-L1657 PolarHBondContact O-N 2.77Å; I1654-L1657 CarbonylContact O-C 3.57Å; I1654-L1657 WeakPolarHBondContact O-CA 3.47Å; I1654-L1657 WeakPolarHBondContact O-CB 3.45Å; I1654-L1657 PolarHBondContact O-N 3.42Å; L1657-Q1660 PolarHBondContact O-N 3.04Å; L1657-L1661 WeakPolarHBondContact O-CB 3.27Å; L1657-L1661 PolarHBondContact O-N 2.79Å
1658E80.5Confident70.5Confident94 Ų94120.1 Ų120.144%0.43960%0.598SS.*Hα-helixtrans-59.6-48.4171.5-71.1171.5154.100110.3I1654 K1655 Q1660 L1661 H1662I1654-E1658 HydrophobicContact CG2-CG 4.09Å; I1654-E1658 WeakPolarHBondContact O-CG 3.41Å; I1654-E1658 PolarHBondContact O-N 3.39Å; K1655-E1658 WeakPolarHBondContact CA-OE2 3.37Å; E1658-Q1660 PolarHBondContact O-N 2.96Å; E1658-L1661 PolarHBondContact O-N 3.23Å; E1658-H1662 PolarHBondContact O-N 3.36Å; E1658-H1662 PolarHBondContact O-ND1 2.96Å
1659N76.1Confident67.8Low117 Ų117119.2 Ų119.263%0.62661%0.606SS**Hα-helixtrans-64.4-38.3177.1-72.12.9000112.4K1655 K1656 H1662 S1663K1655-N1659 WeakPolarHBondContact O-CB 3.19Å; K1655-N1659 PolarHBondContact O-N 2.97Å; K1655-N1659 PolarHBondContact O-OD1 2.75Å; K1656-N1659 PolarHBondContact O-N 3.04Å; N1659-H1662 PolarHBondContact O-N 3.03Å; N1659-S1663 PolarHBondContact O-N 3.03Å; N1659-S1663 VanDerWaalsContact O-N 3.12Å
1660Q75.1Confident65.1Low98 Ų98119.1 Ų119.146%0.45861%0.611SS.*Hα-helixtrans-64.8-40.1173.3-76.8175.2-42.800111.5K1656 L1657 E1658 S1663 I1664K1656-Q1660 WeakPolarHBondContact O-CB 3.39Å; K1656-Q1660 VanDerWaalsContact O-CG 3.31Å; K1656-Q1660 WeakPolarHBondContact O-CG 3.43Å; K1656-Q1660 PolarHBondContact O-N 3.04Å; L1657-Q1660 PolarHBondContact O-N 3.04Å; E1658-Q1660 PolarHBondContact O-N 2.96Å; Q1660-S1663 PolarHBondContact O-N 3.27Å; Q1660-S1663 VanDerWaalsContact O-N 3.13Å; Q1660-S1663 PolarHBondContact O-OG 3.41Å; Q1660-I1664 WeakPolarHBondContact O-CG1 3.49Å
1661L64.3Low62.4Low129 Ų129120.1 Ų120.168%0.67563%0.626SS**Hα-helixtrans-64.8-41.2175.4-173.463.2000112L1657 E1658 S1663 I1664L1657-L1661 WeakPolarHBondContact O-CB 3.27Å; L1657-L1661 PolarHBondContact O-N 2.79Å; E1658-L1661 PolarHBondContact O-N 3.23Å; L1661-S1663 PolarHBondContact O-N 3.43Å; L1661-I1664 PolarHBondContact O-N 2.7Å
1662H61.4Low59.7Low159 Ų159122 Ų12274%0.73664%0.641SS**Hα-helixtrans-67.7-16173.9-72.981000113.5E1658 N1659 I1664E1658-H1662 PolarHBondContact O-N 3.36Å; E1658-H1662 PolarHBondContact O-ND1 2.96Å; N1659-H1662 PolarHBondContact O-N 3.03Å; H1662-I1664 VanDerWaalsContact C-N 3.31Å
1663S57.3Low57Low92 Ų92127.6 Ų127.664%0.64367%0.67SS**THydrogen-bonded Turntrans-83.7-1.9171.173.20000114.1N1659 Q1660 L1661N1659-S1663 PolarHBondContact O-N 3.03Å; N1659-S1663 VanDerWaalsContact O-N 3.12Å; Q1660-S1663 PolarHBondContact O-N 3.27Å; Q1660-S1663 VanDerWaalsContact O-N 3.13Å; Q1660-S1663 PolarHBondContact O-OG 3.41Å; L1661-S1663 PolarHBondContact O-N 3.43Å
1664I47.4Very low54.6Low124 Ų124124.6 Ų124.664%0.63667%0.674SS**SBendtrans-130.263.9-175.3-49.2174000110.9Q1660 L1661 H1662Q1660-I1664 WeakPolarHBondContact O-CG1 3.49Å; L1661-I1664 PolarHBondContact O-N 2.7Å; H1662-I1664 VanDerWaalsContact C-N 3.31Å
1665Q40.5Very low52Low180 Ų180128 Ų12884%0.84169%0.692SS**  trans-174.4147.5153.1-109.617818.900111.7
1666P39Very low49.6Very low114 Ų114127.3 Ų127.374%0.7470%0.7SS**  cis-120.9171.8-30.737.9-25.1000112.5
1667I36.6Very low46.9Very low158 Ų158127.7 Ų127.781%0.8171%0.708SS**PPolyproline II helixtrans-63.7138166.7-63.5166.6000108.8S1669I1667-S1669 PolarHBondContact O-N 3.02Å
1668P36.1Very low44.6Very low114 Ų114130.4 Ų130.474%0.7472%0.723SS**PPolyproline II helixtrans-65.6121.6178.126.5-34.5000111.4I1670P1668-I1670 PolarHBondContact O-N 2.99Å
1669S32.7Very low42.3Very low108 Ų108135.3 Ų135.376%0.75574%0.743SS**PPolyproline II helixtrans-71.4119.6173.450.30000110.7I1667 D1671I1667-S1669 PolarHBondContact O-N 3.02Å; S1669-D1671 PolarHBondContact O-N 3.31Å
1670I32.8Very low40.5Very low155 Ų155134.5 Ų134.580%0.79574%0.744SS**  trans-78.8105175.7-59.9172.5000109P1668P1668-I1670 PolarHBondContact O-N 2.99Å
1671D30.6Very low38.4Very low160 Ų160139.5 Ų139.586%0.85676%0.764SS**  trans-79.8117.3167.9-92.3-31.9000110.7S1669S1669-D1671 PolarHBondContact O-N 3.31Å
1672S30.7Very low36.8Very low100 Ų100143.9 Ų143.970%0.69977%0.772SS**  trans-153.9105.9153.544.90000112
1673N34.1Very low35.6Very low171 Ų171141 Ų14191%0.91477%0.767SS**  trans-131.5125.4160.9-94.4-49000109.4
1674S34.3Very low34.1Very low103 Ų103144.5 Ų144.572%0.7277%0.773SS**  trans-72.2160.1175.157.70000111.9
1675L31Very low33.1Very low162 Ų162143.5 Ų143.585%0.84877%0.773SS**  cis-137.1173.714.3-100.5107.6000111.5
1676P35.9Very low32.4Very low104 Ų104141.6 Ų141.668%0.67577%0.769SS**  trans-111.3173-165.541.3-34000117.1
1677L27.3Very low31.8Very low148 Ų148141 Ų14178%0.77577%0.768SS**  trans97.2125.9145.3-119.571.5000121.6
1678N32.7Very low31.3Very low149 Ų149138.6 Ų138.680%0.79776%0.764SS**  trans91.5120.9150.5-67.9-26.6000123.3
1679K32.4Very low30.8Very low196 Ų196139.1 Ų139.185%0.85277%0.766SS**  trans-75.5-172.6169.7-50166.6175.6170.10110.5
1680P39.2Very low30.6Very low100 Ų100141 Ų14165%0.64977%0.766SS**  cis-135.3165.7-5.230.6-9000116.4
1681F29.7Very low30.5Very low203 Ų203140.3 Ų140.389%0.8976%0.762SS**  179.7172.5112.5-111.1-90000113.1
1682R30.5Very low30.3Very low222 Ų222139.8 Ų139.884%0.83876%0.755SS**  trans-126.8-177.7-177-133.3-170162.2-160.9-1.2107
1683P37.2Very low30Very low98 Ų98140 Ų14064%0.63675%0.752SS**  cis-144-170.6-3.329.6-2.6000117.1
1684Q25.2Very low29.7Very low165 Ų165137.5 Ų137.577%0.77174%0.743SS**  trans106.4111.2144-72.8-156.8-2.300123.2
1685T26.2Very low29.4Very low103 Ų103138.1 Ų138.163%0.63274%0.743SS**  86.4134.6121.758.40000125.2
1686N27.1Very low29.1Very low141 Ų141136 Ų13675%0.75474%0.736SS**  trans95.3101139.1-67.7-4.5000123.2
1687S25Very low28.7Very low102 Ų102137 Ų13771%0.71374%0.741SS**  87127.3108.6-56.90000124.1
1688S26.4Very low28.8Very low106 Ų106135.5 Ų135.574%0.74174%0.738SS**  trans85.9109136-620000123
1689T25.3Very low28.5Very low126 Ų126134.2 Ų134.277%0.77374%0.736SS**  47.5128.7110.4-44.20000121.1
1690I29.5Very low28.4Very low148 Ų148129.1 Ų129.176%0.75972%0.721SS**  -175.3122.2129.6-101161000114.4
1691I30.5Very low27.9Very low139 Ų139127.2 Ų127.271%0.71371%0.708SS**  trans58.4148.1138.7-63.2177.6000122.1
1692Q25.7Very low27.9Very low149 Ų149121.4 Ų121.470%0.69669%0.689SS**  cis179.9150.5-28.5-148.8171.3-16.100111.4
1693T25.7Very low27.8Very low104 Ų104115.2 Ų115.264%0.63868%0.676SS**  trans64.8107.114633.80000126.1
1694T27Very low27.4Very low120 Ų120114.7 Ų114.774%0.73668%0.675SS**  76.4144.2117.354.10000127.4
1695T27.1Very low27.5Very low115 Ų115112.6 Ų112.671%0.70667%0.674SS**  trans88.298139.535.70000124.2
1696T26.5Very low27.6Very low117 Ų117112.8 Ų112.872%0.71868%0.675SS**  66.1135.9123.453.20000125.1
1697T25.7Very low27.7Very low125 Ų125113.5 Ų113.577%0.76767%0.673SS**  trans84.9144143.134.90000123.1
1698T29.3Very low28Very low118 Ų118114.3 Ų114.372%0.72467%0.669SS**  trans62.494.1159430000120.2
1699T27.5Very low28.2Very low121 Ų121114.8 Ų114.874%0.74266%0.664SS**  53.2143.612248.80000122.1
1700T29.8Very low28.4Very low90 Ų90116 Ų11655%0.55266%0.661SS**  trans63.4104.5176.248.80000114.8L720L720-T1700 VanDerWaalsContact CD1-CB 3.48Å; L720-T1700 WeakPolarHBondContact CD1-O 3.44Å
1701T30.1Very low28.4Very low59 Ų59115.9 Ų115.936%0.36266%0.661SS.*  cis95.7126.545.170.10000110.3E719 L720E719-T1701 CarbonylContact C-O 3.53Å; E719-T1701 WeakPolarHBondContact CB-O 3.29Å; E719-T1701 HydrophobicContact CG-CG2 4.42Å; E719-T1701 CarbonylContact O-C 3.12Å; E719-T1701 WeakPolarHBondContact OE2-CB 3.39Å; E719-T1701 WeakPolarHBondContact OE2-CG2 3.48Å; E719-T1701 PolarHBondContact OE2-OG1 3.37Å; L720-T1701 WeakPolarHBondContact CB-O 3.32Å
1702T28.8Very low28.3Very low82 Ų82113.1 Ų113.150%0.50365%0.654SS.*  cis-152.7-26.4-6.5-4.10000119.7S717 G718 E719S717-T1702 WeakPolarHBondContact O-CB 3.45Å; S717-T1702 PolarHBondContact O-OG1 3.12Å; G718-T1702 WeakPolarHBondContact CA-OG1 3.45Å; E719-T1702 PolarHBondContact N-OG1 3.49Å; E719-T1702 PolarHBondContact O-N 2.8Å
1703T28.8Very low28.4Very low91 Ų91113 Ų11356%0.55866%0.658SS**  trans-64.6130.2-139.443.90000119.2S717S717-T1703 VanDerWaalsContact O-CG2 3.26Å; S717-T1703 WeakPolarHBondContact O-CG2 3.32Å
1704S28Very low28.5Very low88 Ų88113.8 Ų113.862%0.61566%0.663SS**  trans63.9107.9149.360.60000122.3
1705T27.4Very low28.6Very low121 Ų121117.1 Ų117.174%0.74267%0.667SS**  83.1100.9128.354.60000123.1
1706T28.1Very low28.6Very low107 Ų107120.7 Ų120.766%0.65667%0.673SS**  91.9118.1119.152.80000123.6
1707H30.4Very low28.6Very low156 Ų156118.5 Ų118.572%0.72267%0.673SS**  trans75.5139.4135.9-65.2-36.1000119.8
1708N29.5Very low28.6Very low118 Ų118118 Ų11863%0.63167%0.674SS**  cis-164.3166.8-9.1-122.93.7000112.9
1709N31.4Very low28.5Very low117 Ų117119.5 Ų119.563%0.62668%0.676SS**  trans68.6144.4159.8-59.4-13.9000116
1710H30.5Very low28.5Very low152 Ų152119.4 Ų119.470%0.70467%0.67SS**  cis-162.6173.41.1-104.6-7.8000107.8
1711L29.6Very low28.3Very low145 Ų145121.8 Ų121.876%0.75967%0.674SS**  cis-149.8-1668.1-129.4169000110.8
1712S27.5Very low28.2Very low81 Ų81125.3 Ų125.357%0.56669%0.687SS**  trans-85.4154.7-165.2-54.90000119.8
1713N27.6Very low28.1Very low146 Ų146128.1 Ų128.178%0.78169%0.694SS**  42.5147.6128.6-50.6-16.2000120.6
1714T28.4Very low28Very low121 Ų121129.4 Ų129.474%0.74270%0.697SS**  178.2125.576.4-66.70000114
1715F28.8Very low27.8Very low190 Ų190131.3 Ų131.383%0.83370%0.7SS**  trans80.7178149.8-90.6-124.8000124.4
1716K27.3Very low27.7Very low189 Ų189132 Ų13282%0.82270%0.699SS**  trans-126151.6-154.1-54.9161.7178.8163.60112.6
1717G26.6Very low27.6Very low71 Ų71133.9 Ų133.973%0.73271%0.705SS**  109.3130.9129.900000119.2
1718C26.4Very low27.5Very low116 Ų116132.1 Ų132.178%0.78471%0.705SS**  trans66.1131.2162.5-68.60000118.2
1719I26.6Very low27.3Very low149 Ų149131.6 Ų131.676%0.76471%0.71SS**  72.5116.459-70.7172.7000109.6
1720I27.6Very low27Very low118 Ų118132.5 Ų132.561%0.60571%0.714SS**  cis-163.5156.28.3-143.9172.6000113.6
1721E25.8Very low26.9Very low140 Ų140132.2 Ų132.265%0.65472%0.717SS**  trans59.3169.9155-76.2146.4-165.300119.2
1722H27.1Very low27Very low134 Ų134130.1 Ų130.162%0.6272%0.715SS**  cis-154.5155.426.5-121.7-59000114.9
1723H27.3Very low27Very low141 Ų141134.3 Ų134.365%0.65373%0.725SS**  trans67.4143.5152.4-63.2-52.6000119.7
1724D25.9Very low27.1Very low118 Ų118134.5 Ų134.563%0.63173%0.725SS**  cis-158164.2-10.1-119.1-3.9000115
1725L24.5Very low27.1Very low128 Ų128136.5 Ų136.567%0.6773%0.725SS**  trans26.8134147.1-64.7164.3000122.3
1726N25.5Very low26.9Very low136 Ų136132 Ų13273%0.72772%0.717SS**  trans20.9111.5137.8-51.6-22.9000116.9
1727N26.5Very low26.9Very low145 Ų145130.7 Ų130.778%0.77572%0.718SS**  179.1159.868.7-116.2-22.7000112.8
1728V26.8Very low26.8Very low119 Ų119137.8 Ų137.872%0.72172%0.724SS**  trans42.798.4146-177.80000117.7
1729S25.5Very low27.3Very low107 Ų107137 Ų13775%0.74872%0.717SS**  81.3160.298.9-141.20000113.9
1730I26.4Very low27.2Very low137 Ų137136.6 Ų136.670%0.70372%0.716SS**  cis-142.1157.819.2-46.5163.6000110.6
1731N27.6Very low27.1Very low145 Ų145139.8 Ų139.878%0.77573%0.725SS**  trans104114.5166.3-59.4-58.7000114.9
1732S30.8Very low27Very low102 Ų102137.9 Ų137.971%0.71373%0.727SS**  cis-157.2141.615.651.30000116.2
1733H29.2Very low27Very low168 Ų168136.1 Ų136.178%0.77873%0.73SS**  trans65.5118.6144.2-78.485.7000123.4
1734I29.4Very low27.1Very low150 Ų150137.5 Ų137.577%0.76973%0.734SS**  trans94.880.6145.7-56.7160.5000118.3
1735H27Very low27Very low163 Ų163140.3 Ų140.376%0.75574%0.744SS**  trans7.6125.8131.5-81.8-67.9000121.9
1736S25.1Very low27.2Very low95 Ų95140.5 Ų140.566%0.66474%0.741SS**  52.2154.4103.9-45.30000122.9
1737I27.2Very low27.2Very low163 Ų163139 Ų13984%0.83674%0.739SS**  trans113121.6153.6-60.6170000116.6
1738Y23.8Very low27.3Very low220 Ų220136 Ų13686%0.86373%0.726SS**  trans-86.2154.2157.9-91.9-98.9000109.3
1739P38.2Very low27.1Very low98 Ų98137.2 Ų137.264%0.63673%0.727SS**  cis-136.6-157.1-32.331.2-8.1000111.6
1740I24Very low27.3Very low142 Ų142139.6 Ų139.673%0.72873%0.729SS**  trans85.2118.7157.9-63.4164.8000118.4
1741K25.3Very low27.2Very low185 Ų185137.7 Ų137.780%0.80472%0.724SS**  trans49.699.6153.1-68.5171.2-174.81760118
1742S24.5Very low27Very low100 Ų100136.2 Ų136.270%0.69972%0.72SS**  91.2139.963.768.40000115.4
1743S27Very low26.7Very low96 Ų96136.9 Ų136.967%0.67172%0.72SS**  trans82.7149.8161.487.30000116.7
1744F28.1Very low26.6Very low170 Ų170134.8 Ų134.875%0.74672%0.72SS**  cis-133.4140.90.2-98.6-80.6000110.7P1747F1744-P1747 HydrophobicContact CE1-CG 4.42Å
1745Q25.3Very low26.4Very low178 Ų178133.1 Ų133.183%0.83272%0.717SS**SBendtrans-122.388.6137.7-166.1165.910.900109.6
1746Q27.6Very low26.8Very low131 Ų131131.5 Ų131.561%0.61272%0.718SS**  trans40.796.8148.1-52.1-171.9-76.700119.1T1748Q1746-T1748 WeakPolarHBondContact CB-OG1 3.27Å; Q1746-T1748 VanDerWaalsContact CG-OG1 3.25Å; Q1746-T1748 WeakPolarHBondContact CG-OG1 3.38Å; Q1746-T1748 PolarHBondContact NE2-OG1 2.85Å
1747P26.5Very low27Very low105 Ų105133.9 Ų133.968%0.68272%0.723SS**  -85.766.1122.134.9-29.4000108.5F1744 I1749F1744-P1747 HydrophobicContact CE1-CG 4.42Å; P1747-I1749 PolarHBondContact O-N 2.75Å; P1747-I1749 VanDerWaalsContact O-N 3.12Å
1748T28.7Very low27.1Very low82 Ų82131.4 Ų131.450%0.50371%0.711SS.*  trans-74107.1175.7-630000108.8Q1746 I1750Q1746-T1748 WeakPolarHBondContact CB-OG1 3.27Å; Q1746-T1748 VanDerWaalsContact CG-OG1 3.25Å; Q1746-T1748 WeakPolarHBondContact CG-OG1 3.38Å; Q1746-T1748 PolarHBondContact NE2-OG1 2.85Å; T1748-I1750 HydrophobicContact CG2-CG1 4.23Å; T1748-I1750 PolarHBondContact O-N 3.39Å; T1748-I1750 VanDerWaalsContact O-N 3.07Å
1749I22.9Very low27.4Very low145 Ų145128.7 Ų128.774%0.74471%0.706SS**  trans-62.8107.2171.8-61.5168.9000108.4P1747 T1751P1747-I1749 PolarHBondContact O-N 2.75Å; P1747-I1749 VanDerWaalsContact O-N 3.12Å; I1749-T1751 VanDerWaalsContact CG2-OG1 3.31Å; I1749-T1751 WeakPolarHBondContact CG2-OG1 3.47Å
1750I27.8Very low27Very low157 Ų157128.8 Ų128.881%0.80571%0.709SS**  trans-113.6103157.3-62.4-174.9000107T1748T1748-I1750 HydrophobicContact CG2-CG1 4.23Å; T1748-I1750 PolarHBondContact O-N 3.39Å; T1748-I1750 VanDerWaalsContact O-N 3.07Å
1751T24.7Very low27.4Very low97 Ų97129.4 Ų129.460%0.59571%0.713SS**  trans-79.3145.6-176.4-38.90000111I1749I1749-T1751 VanDerWaalsContact CG2-OG1 3.31Å; I1749-T1751 WeakPolarHBondContact CG2-OG1 3.47Å
1752T23.6Very low27.8Very low113 Ų113127.5 Ų127.569%0.69371%0.712SS**  trans68.3141151.332.70000122.2
1753T23.9Very low27.7Very low116 Ų116129.3 Ų129.371%0.71271%0.712SS**  trans67.1137.3149.855.10000117.9
1754T28.1Very low27.8Very low124 Ų124130.3 Ų130.376%0.76172%0.716SS**  cis-143.1119.536.328.50000111.5
1755T24.1Very low27.7Very low115 Ų115127 Ų12771%0.70671%0.71SS**  66.296.791.863.50000118.1
1756T35.4Very low27.7Very low129 Ų129125.7 Ų125.779%0.79171%0.706SS**  trans-139.4108.9140.137.70000108.7
1757L29.9Very low27.6Very low145 Ų145125.9 Ų125.976%0.75971%0.71SS**  74.4125.697.7-67.9175.4000115.5
1758N30Very low27.7Very low111 Ų111127.3 Ų127.359%0.59471%0.712SS**  cis-169.9161.4-20.7-12819.3000113.2
1759H30.3Very low27.6Very low163 Ų163127.5 Ų127.576%0.75572%0.716SS**  trans68.5145.1159.7-59.7-46.5000118.1
1760S30.2Very low27.8Very low101 Ų101127.8 Ų127.871%0.70672%0.719SS**  cis-154.8161.912.9-120.20000113.5
1761L32.4Very low27.9Very low154 Ų154130.2 Ų130.281%0.80672%0.718SS**  trans68.4132.2169.1-61.8164.9000117.4
1762N32.1Very low28.2Very low145 Ų145130.4 Ų130.478%0.77572%0.716SS**  cis-155.4153.8-11.8-147.512.3000111.7
1763I24.1Very low28.5Very low139 Ų139134 Ų13471%0.71372%0.722SS**  trans-136.4150.2179.6-33.8178.1000109.4T1765I1763-T1765 HydrophobicContact CG2-CG2 4.11Å
1764P29.1Very low28.7Very low116 Ų116135.6 Ų135.675%0.75373%0.725SS**  -137.9128.8116.824.9-7000112.1
1765T24.5Very low29.1Very low101 Ų101135.2 Ų135.262%0.6272%0.724SS**  69.7109.658.768.20000115.8I1763I1763-T1765 HydrophobicContact CG2-CG2 4.11Å
1766M26.4Very low29.3Very low151 Ų151135.5 Ų135.574%0.74473%0.731SS**  trans173.4115.1138.9-85.7-49.891.400105.7
1767I25.7Very low29.2Very low134 Ų134136.8 Ų136.869%0.68773%0.732SS**  93.8140.863.3-80-171.5000113.2
1768D26.9Very low29.3Very low136 Ų136135.8 Ų135.873%0.72773%0.734SS**  trans79.899.5165-83.9-43.9000122.7
1769S27.3Very low29.2Very low85 Ų85136.5 Ų136.559%0.59474%0.743SS**  73.1133.4104.4-67.20000123.4
1770N26.7Very low29.1Very low152 Ų152133.2 Ų133.281%0.81374%0.738SS**  trans68.8140.9152-61.4-35.9000116.5
1771R30.5Very low29.2Very low207 Ų207138.8 Ų138.878%0.78175%0.745SS**  cis-168160.925.5-140.6-179.2142.4162.5-1.2111
1772D30.4Very low29.3Very low102 Ų102139 Ų13955%0.54575%0.745SS.*  trans45.7137.2147.2-62.8-6000121.1
1773F30Very low29.2Very low187 Ų187137.5 Ų137.582%0.8274%0.744SS**  cis-152.5154.98.1-121.1-64.1000111.2
1774I27.7Very low29.5Very low151 Ų151136.1 Ų136.177%0.77475%0.746SS**  trans-119.6144.5171.1-83.4175.9000109.8
1775P38.3Very low29.7Very low115 Ų115138.4 Ų138.475%0.74775%0.75SS**  trans-79.1168-177.932.9-38.4000114.1
1776S26.8Very low30.1Very low122 Ų122138.6 Ų138.685%0.85375%0.753SS**  trans-158.6146.4163.8-80.20000113.9
1777I34.1Very low30.3Very low156 Ų156139 Ų13980%0.876%0.757SS**  trans-100.2155.6164.1-59.5163.1000107.3
1778P32.2Very low30.4Very low123 Ų123139.6 Ų139.680%0.79976%0.762SS**  trans-125.3139.2151.735.3-24.6000113.9
1779T27.7Very low30.8Very low127 Ų127138.3 Ų138.378%0.77976%0.761SS**  trans-94.7176.5168.351.60000111.1
1780S29Very low31Very low94 Ų94141.4 Ų141.466%0.65777%0.771SS**  170.5161.7118.751.20000116.8
1781Y30.6Very low31.3Very low217 Ų217140 Ų14085%0.85177%0.77SS**  trans86.4131.6156.5-73-67.8000123.6
1782I36.2Very low31.1Very low159 Ų159137.9 Ų137.982%0.81577%0.769SS**  trans-135.3138.5170.1-59.7166.9000106.1
1783P29.6Very low31.2Very low114 Ų114137.9 Ų137.974%0.7477%0.774SS**  trans-139.6158.1134.541.1-29.1000110.9
1784S30.1Very low31.3Very low109 Ų109136.2 Ų136.276%0.76277%0.769SS**  cis-155.5166.731.5-55.80000113
1785I33.7Very low31.2Very low165 Ų165135.7 Ų135.785%0.84676%0.763SS**  trans-131.2136.4168.2-70.6164.7000106.3
1786P31.6Very low30.8Very low104 Ų104137.8 Ų137.868%0.67576%0.762SS**  -161.1176.1110.642.5-22.5000118.9
1787L31.5Very low30.8Very low159 Ų159138.4 Ų138.483%0.83275%0.751SS**  trans81.3117.1164.6-54.2164.9000116.1
1788N26.8Very low30.5Very low147 Ų147137.2 Ų137.279%0.78675%0.746SS**  cis74.3136.322.4-145.931.6000113.3
1789P36.3Very low30.2Very low110 Ų110136.3 Ų136.371%0.71473%0.734SS**  cis-142-177.719.344.6-24.9000119.6
1790N30.4Very low30.3Very low150 Ų150136.8 Ų136.880%0.80273%0.728SS**  trans-24.5156.1159.7-96.7-14.3000118.9
1791P33.3Very low30.3Very low121 Ų121138.7 Ų138.779%0.78673%0.726SS**  -152.8-175.859.443.2-22.5000120.2
1792H26Very low30.2Very low163 Ų163135.3 Ų135.376%0.75572%0.718SS**  trans-45.3169.8163.7-83.6-58.4000116.4
1793P34.4Very low29.8Very low102 Ų102133.5 Ų133.566%0.66271%0.71SS**  cis-125.1177.521.123.92000114
1794H30.2Very low29.8Very low152 Ų152134.9 Ų134.970%0.70471%0.706SS**  -160.8171.451.1-104.8-84.5000109.3
1795H25.4Very low29.8Very low141 Ų141136.4 Ų136.465%0.65371%0.705SS**  cis69.4102.711.6-72.3-92.4000117.3
1796H30.4Very low29.4Very low158 Ų158138.6 Ų138.673%0.73170%0.704SS**  -145.4163.951-83.4-100.3000111.7
1797H27.7Very low29.9Very low136 Ų136137.8 Ų137.863%0.6370%0.698SS**  cis89.611819.9-171.192.1000115.4
1798L26.6Very low29.8Very low130 Ų130138.4 Ų138.468%0.68170%0.697SS**  trans69159.2162.2-99.759.4000117.8
1799D26.1Very low29.9Very low105 Ų105136.2 Ų136.256%0.56169%0.689SS**  cis-157.6169-11.9-146.3-16.8000111.6
1800H29.6Very low29.4Very low137 Ų137138.4 Ų138.463%0.63469%0.69SS**  trans54.4157.5148-74.2-0.1000120.1
1801H30.6Very low29.3Very low134 Ų134138 Ų13862%0.6268%0.683SS**  cis-154.8163.90.2-119.7-37.9000110.5
1802Q27.3Very low29Very low146 Ų146140.6 Ų140.668%0.68269%0.685SS**  9.5152.4129.5-95.175.89.600120.4
1803D28.5Very low29.2Very low120 Ų120140.2 Ų140.264%0.64269%0.688SS**  cis-175.7-170-8.5-137.9-20.5000107.5
1804H30.3Very low28.8Very low143 Ų143142.7 Ų142.766%0.66269%0.692SS**  cis-161.5175.60.5-148.527.8000110.5
1805L28.8Very low28.7Very low141 Ų141141.8 Ų141.874%0.73869%0.686SS**  trans65.2168.5166.2-86.962.6000118.8
1806Y26.6Very low28.8Very low212 Ų212138.3 Ų138.383%0.83168%0.678SS**  cis160.8166.2-37.8-129.5-129.9000108.9
1807P42.2Very low28.6Very low86 Ų86133.9 Ų133.956%0.55866%0.659SS**  -131.9-153.7-68.945.9-29.6000113.4
1808Q28Very low28.5Very low172 Ų172132.1 Ų132.180%0.80466%0.658SS**  trans76.5147.2152.4-91.3-178.2-36.900120
1809T28.5Very low28.8Very low101 Ų101128.6 Ų128.662%0.6265%0.645SS**  cis-158.1151.3-13.3-19.40000113.5
1810Q26.8Very low29Very low157 Ų157128.5 Ų128.573%0.73464%0.639SS**  trans58.6136.4140.8-93.9-179.731.900126.2
1811Q27.9Very low29.1Very low140 Ų140127.6 Ų127.665%0.65464%0.643SS**  trans100.2126.9130.6-85.7-168.16800125
1812Q27.5Very low29.1Very low177 Ų177128.3 Ų128.383%0.82764%0.644SS**  trans82.8168.2139.9-76.4-16048.900122.9
1813L29.6Very low29.3Very low155 Ų155128 Ų12881%0.81265%0.653SS**  trans-145.2124-153.4166.399.2000109.9
1814M26.4Very low29.3Very low154 Ų154128.3 Ų128.376%0.75966%0.659SS**  trans-175.3133.9143.7-92.3-116-174.400113.1
1815K28.3Very low29.3Very low133 Ų133125.7 Ų125.758%0.57866%0.662SS**  trans34.7124.3138-57.3-176.7178.1-173.20120.8Y470Y470-K1815 HydrophobicContact CE1-CB 4.31Å; Y470-K1815 HydrophobicContact CE1-CD 3.69Å
1816S26.4Very low29.3Very low68 Ų68123.4 Ų123.448%0.47666%0.658SS.*  111.3104.7117.972.30000123.5Y470Y470-S1816 VanDerWaalsContact CB-OG 3.3Å; Y470-S1816 WeakPolarHBondContact CB-OG 3.46Å; Y470-S1816 WeakPolarHBondContact CD1-OG 3.5Å; Y470-S1816 VanDerWaalsContact CG-OG 3.29Å
1817N26.8Very low29.4Very low64 Ų64121.9 Ų121.934%0.34266%0.659SS.*  87.2-156.4117.1-77.9-66000123.6K468 Q469 Y470K468-N1817 HydrophobicContact CB-CB 3.99Å; K468-N1817 HydrophobicContact CD-CB 3.99Å; K468-N1817 WeakPolarHBondContact CD-OD1 3.36Å; K468-N1817 HydrophobicContact CG-CB 4.33Å; K468-N1817 WeakPolarHBondContact CG-OD1 3.46Å; K468-N1817 PolarHBondContact NZ-O 3.18Å; Q469-N1817 HydrophobicContact CB-CB 4.25Å; Q469-N1817 WeakPolarHBondContact O-CB 3.35Å; Q469-N1817 PolarHBondContact OE1-ND2 3.06Å; Y470-N1817 HydrophobicContact CD2-CB 4.5Å; Y470-N1817 WeakPolarHBondContact CD2-ND2 3.3Å
1818T26.9Very low28.8Very low99 Ų99124.9 Ų124.961%0.60767%0.665SS**  trans52.1134-163.759.60000123.7K468K468-T1818 WeakPolarHBondContact CE-O 2.87Å; K468-T1818 VanDerWaalsContact NZ-C 3.28Å; K468-T1818 PolarHBondContact NZ-O 3.34Å
1819S32.4Very low28.8Very low57 Ų57123 Ų12340%0.39966%0.659SS.*  trans79.5152.1169.5970000122.7K468K468-S1819 WeakPolarHBondContact CE-O 3.16Å; K468-S1819 PolarHBondContact NZ-O 3.48Å
1820K29.6Very low28.8Very low103 Ų103122.9 Ų122.945%0.44866%0.659SS.*  trans-164.1124.3-163.8179.7-159.8-158.7-173.70108.5V464 G465 I466 I467V464-K1820 CarbonylContact C-O 3.56Å; V464-K1820 WeakPolarHBondContact CB-O 3.37Å; V464-K1820 WeakPolarHBondContact CG1-O 3.25Å; G465-K1820 PolarHBondContact N-O 3.32Å; I466-K1820 PolarHBondContact O-NZ 3.49Å; I467-K1820 HydrophobicContact CB-CD 4.16Å
1821V32Very low28.8Very low117 Ų117122.1 Ų122.171%0.70966%0.66SS**  trans-125.2144.3-178.1-173.80000112.9V464V464-V1821 HydrophobicContact CB-CG1 4.4Å; V464-V1821 HydrophobicContact CB-CG2 4.46Å; V464-V1821 HydrophobicContact CG2-CG1 4.37Å
1822K30.8Very low28.9Very low150 Ų150120.9 Ų120.965%0.65266%0.661SS**  trans-84.1156.5-176.3-71168.5-179.41800112.6V464V464-K1822 HydrophobicContact CG1-CD 4.34Å; V464-K1822 HydrophobicContact CG1-CG 3.84Å; V464-K1822 HydrophobicContact CG2-CB 4.44Å; V464-K1822 HydrophobicContact CG2-CD 4.08Å; V464-K1822 HydrophobicContact CG2-CG 4.17Å
1823T31.4Very low29.1Very low140 Ų140120.6 Ų120.686%0.85966%0.658SS**  -144.5150.7123.9-25.10000111.3
1824T28.5Very low29.2Very low125 Ų125120.1 Ų120.177%0.76765%0.651SS**  trans-152.7159.6-179.945.30000108.3
1825A30.9Very low29.4Very low88 Ų88120.9 Ų120.973%0.72765%0.65SS**  cis-127170.68.300000110.8
1826S27.7Very low29.7Very low94 Ų94121.5 Ų121.566%0.65766%0.66SS**  57121.479.1-154.70000116.5
1827Q29.7Very low30.1Very low180 Ų180124.1 Ų124.184%0.84167%0.673SS**  trans65.7150.3165.1-64.1161.49.400115.5
1828H29.9Very low30.3Very low148 Ų148133.2 Ų133.269%0.68571%0.713SS**  cis-144.2122.923.4179.1-89000114.3
1829L26.4Very low30.5Very low132 Ų132135 Ų13569%0.69172%0.718SS**  trans52.3149.6145.2-132.676.7000124.2
1830T29.3Very low30.4Very low100 Ų100139.1 Ų139.161%0.61374%0.735SS**  trans75.3110.7152.231.90000122.1
1831N26.9Very low30.4Very low140 Ų140141.1 Ų141.175%0.74975%0.751SS**  84.4115.4126.9-75.3-14.8000122.5
1832V29.3Very low30.3Very low114 Ų114142.5 Ų142.569%0.69175%0.753SS**  85.1112.8122.8173.80000118.7
1833K31.5Very low30.3Very low172 Ų172142 Ų14275%0.74876%0.759SS**  trans80.1122.3148-79.6170.3178-178.30121.4
1834Q31.4Very low30.2Very low144 Ų144142.1 Ų142.167%0.67375%0.753SS**  94.5117.1123.5-80.1-178.9-96.200121.3
1835F31.1Very low30.3Very low170 Ų170143.4 Ų143.475%0.74675%0.752SS**  trans64.7124.8155.2-71.9-102.6000116.7
1836L34.9Very low30.3Very low147 Ų147147.6 Ų147.677%0.7775%0.754SS**  55.1122.284.7-105.873.5000111.6
1837T35.4Very low30.5Very low122 Ų122152.1 Ų152.175%0.74876%0.762SS**  cis-145.6142.627.752.30000113.6
1838H30.2Very low30.6Very low256 Ų256149.5 Ų149.5100%1.18575%0.754SS**  -153.70125.4-144.9-48.7000111

Retrieved 1,838 of 1,838 residues in 1774.4 ms (Link to these results)