A0A5K4ELU2_SCHMA Loading...

histone acetyltransferase

Acetyltransferase enzyme. Acetylates histones, giving a specific tag for transcriptional activation.

AlphaFold DB , UniProt , Accession A0A5K4ELU2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,629 aa.

>A0A5K4ELU2_SCHMA|A0A5K4ELU2
MQGSTTDQITYTNDRPQGLSTEAKMVLMQQQLALLLHADHCERLERRGMATNCMDRNCGEIRNLLPHLQSCTREKECNVPHCISSKYIMRHYRSCGDMECKVCSAIRKPIGNSTPSSASSVSCPQNGLTSNHKSDISSLNGIKISDSPLPHQKTAFTTGPCESQPTLVLNGEFNRVPLHESRITDQQRELAMKKFVNDISLSIFPTANPTAYSDPRMKQFLDYVKRMEKDVFVKSRSTEEYFKTMALHYHNIHSELKEKRRLRESCPPLQNGDISDVTQPSELSNSVSSENSLKTNSYDQDQFSDALEIVSKREEQIQREIKVEVATESSSNSSDSAGVLEDKDNKEDSNSPEVKYHPVASVEPSESDTKTKIDEKTDLESDAPEPTGSDEKKTDAQASREPIRRRIWYSNELLQHFLPVVLKISKEKDAEPFLTPVDWKFLEIYDYPQIVSDPMDLSTIRRKLEDREYKDPWEIVDDFWLMLNNAWLYNKKTSKVYKTCTRLAETFETIIDPVMQSLGFCCGREYYYQPPTLTCLTPKFCTIYRDAVYYVYKSDGQTPGLLEQKYTVCERCYNEALDQIALDSDSSNPVNVQKSLMEKCKNDIKEKEPFVFCKHCGRKWHRVCAIYLEEIWPDGFICNHCIVNYGLKRVENRFTAKKLTTCKLSNFLEKRVNDFLKKKEADAGDVIIRVLAAADKTVEVKSGMKARFCDNGEMPESFPYRVKAIFAFQEIDGQEVCFFGLHVQEYGSECPLPNTRRVYVAYLDSVYFFRPKQFRTEIYHELLVGYIHYAKLLGFTMAHIWACPPSEGDDYIFHMHPPDQKIPKPKRLQEWYQKMLKKALIERIVVDYKDICQDANESHMISPSELAYFEGDFWPNTLEEIFKEMDEEDAKRKQEQEALARGDDDDEAKENVQTKETDENPGKKKAKRRKLKRSASITITGKRKRLGGIGSGDVANEVARRVYEIMEKHKENFFVIRLHPQNSVAALPPIKDPDPLINSELMECRGAFLEKAREKHLEFSSLRRAKYSTLVMLYELHNENRQPLMYTCNVCSAQLETPWHCKQCIEYDLCPRCYETENHPHPMVKIGIGLDDCNKGQEPSNDSTIQESGRDKLSRWVKALGHSCYCRDANCRVYACKTMKYQVQHFRVHSTDRNQCSVCRFIYYLCCYHSKTCHELKCLVPLCPKLKAKMKQQQKQQRLKQTQMLRRRMATMQRCNSMTPNHQPTPPPSQNYQQCSQSSTSDCISSPMSVPMQSSPFASTAVTTVSYNLTSPHSRSQSSIQSPQQSPFFHPPCPSSYQNSQQTVHSSKAYVSSPSIPRSPSISAMPVSTCVQNLPQSTGTHNQPAVTLESDQLINTHVDISRTGYAFQSQSKYSSSCTQPTTSFSTQQQLQRHHIQERPQTSLNNNWAPNYVVSQHSIQSHGSTSGHSVAHRPLLTNNPVPIDALSPKPFVHQPCVTPMDVDPSYPQQIMSSRFQGENEHNNYIFNKQSQQQSVTHHPSPAYSQVIEGHNPGTLLPPSQTSSGTISNSNWRQPGTAPPGSTMYPSGSSVSSTQPNTSIVRSGSMQPTSSQSIVSTTSPNIGVAVPCSISPEDVRIVQQAYTTMRQRGAPASEVNRFFIPFTFDKFSNIF
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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
1M26Very low25.1Very low245 Ų245136.5 Ų136.5100%1.20775%0.752SS**  0119.90-79.7-60.3173.800107.5
2Q24.5Very low25.1Very low193 Ų193133.8 Ų133.890%0.90274%0.742SS**  trans-95.1147.3-166.3-69.9166.1-30.800111.9
3G25.7Very low25.2Very low74 Ų74131.7 Ų131.776%0.76373%0.729SS**  trans-169.275.217900000110.8T5G3-T5 PolarHBondContact O-N 3.43Å
4S24.2Very low25.3Very low105 Ų105132 Ų13273%0.73473%0.729SS**  trans-72.7110.6-178.451.50000111.5T6S4-T6 PolarHBondContact O-N 3.29Å; S4-T6 VanDerWaalsContact O-N 3.15Å; S4-T6 PolarHBondContact O-OG1 3.19Å
5T24.9Very low25.3Very low137 Ų137137.5 Ų137.584%0.8473%0.734SS**  trans-57.1117.1170.443.40000110.1G3G3-T5 PolarHBondContact O-N 3.43Å
6T26Very low25.5Very low80 Ų80133.6 Ų133.649%0.49172%0.719SS.*  trans-114114.5175-57.70000107.7S4 Q8 R56S4-T6 PolarHBondContact O-N 3.29Å; S4-T6 VanDerWaalsContact O-N 3.15Å; S4-T6 PolarHBondContact O-OG1 3.19Å; T6-Q8 PolarHBondContact O-N 3.28Å; T6-Q8 VanDerWaalsContact O-N 3.13Å; T6-R56 VanDerWaalsContact CG2-NH1 3.27Å
7D23.8Very low25.6Very low149 Ų149133.7 Ų133.780%0.79771%0.714SS**  trans-60.4117-176.4-64.3-56.7000111.7
8Q24.8Very low25.9Very low161 Ų161130.4 Ų130.475%0.75272%0.717SS**  trans-104.1114.4173.1-72.8-172.4-13.200109.6T6 T10T6-Q8 PolarHBondContact O-N 3.28Å; T6-Q8 VanDerWaalsContact O-N 3.13Å; Q8-T10 VanDerWaalsContact C-N 3.28Å; Q8-T10 PolarHBondContact O-N 3Å; Q8-T10 PolarHBondContact O-OG1 2.93Å
9I24.6Very low26.2Very low121 Ų121125.8 Ų125.862%0.62169%0.691SS**  trans-7186.5175.5-55178.5000108.6Y11I9-Y11 HydrophobicContact CG2-CD2 3.95Å; I9-Y11 HydrophobicContact CG2-CE2 3.42Å; I9-Y11 VanDerWaalsContact CG2-CE2 3.42Å; I9-Y11 PolarHBondContact O-N 3.39Å; I9-Y11 VanDerWaalsContact O-N 3.13Å
10T24.2Very low27.2Very low107 Ų107123.1 Ų123.166%0.65668%0.681SS**  trans-84.889.3-168.4-53.90000111Q8 T12Q8-T10 VanDerWaalsContact C-N 3.28Å; Q8-T10 PolarHBondContact O-N 3Å; Q8-T10 PolarHBondContact O-OG1 2.93Å; T10-T12 PolarHBondContact O-N 3.04Å
11Y27.1Very low29Very low130 Ų130122.4 Ų122.451%0.5168%0.681SS.*  trans-78.1104.3170.6-76.6-70.3000110.7I9 L27 H81I9-Y11 HydrophobicContact CG2-CD2 3.95Å; I9-Y11 HydrophobicContact CG2-CE2 3.42Å; I9-Y11 VanDerWaalsContact CG2-CE2 3.42Å; I9-Y11 PolarHBondContact O-N 3.39Å; I9-Y11 VanDerWaalsContact O-N 3.13Å; Y11-L27 HydrophobicContact CE1-CD2 3.72Å; Y11-L27 VanDerWaalsContact OH-CD2 3.3Å; Y11-L27 WeakPolarHBondContact OH-CD2 3.36Å; Y11-H81 PolarHBondContact O-CE1 3.21Å; Y11-H81 VanDerWaalsContact O-CE1 3.31Å
12T25.9Very low30.9Very low103 Ų103115.2 Ų115.263%0.63264%0.644SS**  trans-67.6153.3171.356.20000111T10 D14T10-T12 PolarHBondContact O-N 3.04Å; T12-D14 PolarHBondContact O-N 3.22Å
13N26.4Very low32.4Very low107 Ų107107.6 Ų107.657%0.57261%0.614SS**SBendtrans-70.72.7-178.9-85.9-56.8000114.2P80 H81N13-P80 WeakPolarHBondContact OD1-CA 3.2Å; N13-H81 PolarHBondContact OD1-N 3.39Å; N13-H81 VanDerWaalsContact OD1-N 3.15Å
14D25.8Very low34.4Very low136 Ų136107.8 Ų107.873%0.72759%0.594SS**SBendtrans-86137.3-171.4-97.1-57.7000114.3T12 P16T12-D14 PolarHBondContact O-N 3.22Å; D14-P16 WeakPolarHBondContact O-CD 3.29Å
15R25.4Very low37Very low215 Ų215105 Ų10581%0.81157%0.57SS**  trans-72.7101.5-163.4-168.9-175.5-162.4172.77.6111.5Q17R15-Q17 PolarHBondContact O-N 3Å; R15-Q17 VanDerWaalsContact O-N 3.14Å
16P28.2Very low39.3Very low74 Ų74101.8 Ų101.848%0.48155%0.55SS.*  trans-70.7114.3-162.526.5-33.9000112.7D14 L19 K24D14-P16 WeakPolarHBondContact O-CD 3.29Å; P16-L19 HydrophobicContact CB-CD1 4.36Å; P16-K24 WeakPolarHBondContact O-CE 3.36Å; P16-K24 PolarHBondContact O-NZ 3.1Å
17Q27.3Very low41.7Very low136 Ų136100.4 Ų100.464%0.63654%0.539SS*.  trans-108.980.2174.3-68.5-179.465.700110.1R15 R1208R15-Q17 PolarHBondContact O-N 3Å; R15-Q17 VanDerWaalsContact O-N 3.14Å; Q17-R1208 VanDerWaalsContact OE1-CZ 3.28Å
18G32.2Very low44.6Very low75 Ų7595.6 Ų95.677%0.77351%0.512SS*.SBendtrans-173.6-49.8176.400000113
19L31.2Very low47.4Very low43 Ų4390.6 Ų90.623%0.22549%0.489CS..  trans-53.3139.7-178.1-66.1167.4000114.2P16 A23 K24 L27 Q557P16-L19 HydrophobicContact CB-CD1 4.36Å; L19-A23 HydrophobicContact CB-CB 4.41Å; L19-A23 HydrophobicContact CD2-CB 4.26Å; L19-K24 HydrophobicContact CB-CD 4.44Å; L19-K24 HydrophobicContact CB-CG 3.83Å; L19-K24 WeakPolarHBondContact O-CE 3.38Å; L19-L27 HydrophobicContact CD1-CD1 3.55Å; L19-Q557 HydrophobicContact CD2-CG 4.05Å
20S45.9Very low50.2Low71 Ų7190.6 Ų90.650%0.49749%0.486SS..  trans-62.5162.8175.375.80000112.6E22 A23 K24S20-E22 VanDerWaalsContact C-N 3.32Å; S20-E22 PolarHBondContact O-N 3.23Å; S20-A23 PolarHBondContact O-N 2.92Å; S20-A23 PolarHBondContact OG-N 3.02Å; S20-K24 WeakPolarHBondContact O-CG 3.44Å; S20-K24 PolarHBondContact O-N 3.03Å
21T65Low53.3Low109 Ų10987.9 Ų87.967%0.66947%0.467SS*.Hα-helixtrans-61.1-38.4177.932.50000112.9M25T21-M25 WeakPolarHBondContact O-CG 3.35Å; T21-M25 PolarHBondContact O-N 2.82Å; T21-M25 VanDerWaalsContact O-N 3.16Å
22E65.3Low56.4Low93 Ų9381.7 Ų81.744%0.43544%0.442SS..Hα-helixtrans-64.3-50.9175.7-116.260.7-14600111.3S20 K24 M25 V26 K101S20-E22 VanDerWaalsContact C-N 3.32Å; S20-E22 PolarHBondContact O-N 3.23Å; E22-K24 VanDerWaalsContact C-N 3.28Å; E22-K24 PolarHBondContact O-N 2.94Å; E22-M25 PolarHBondContact O-N 3.43Å; E22-M25 WeakPolarHBondContact OE1-CE 3.32Å; E22-V26 PolarHBondContact O-N 3.38Å; E22-K101 IonicContact OE1-NZ 2.66Å; E22-K101 PolarHBondContact OE1-NZ 2.89Å
23A57.5Low59.5Low33 Ų3379 Ų7927%0.27343%0.43SS..Hα-helixtrans-60.1-38.1-179.300000112.3L19 S20 M25 V26 L27L19-A23 HydrophobicContact CB-CB 4.41Å; L19-A23 HydrophobicContact CD2-CB 4.26Å; S20-A23 PolarHBondContact O-N 2.92Å; S20-A23 PolarHBondContact OG-N 3.02Å; A23-M25 VanDerWaalsContact C-N 3.34Å; A23-M25 PolarHBondContact O-N 3.35Å; A23-V26 PolarHBondContact O-N 3.27Å; A23-L27 PolarHBondContact O-N 2.87Å
24K67.4Low62.4Low79 Ų7975.2 Ų75.234%0.34341%0.41SS..Hα-helixtrans-66.3-33.1173.9-73.3-172.2175.2-168.60113.4P16 L19 S20 E22 M28P16-K24 WeakPolarHBondContact O-CE 3.36Å; P16-K24 PolarHBondContact O-NZ 3.1Å; L19-K24 HydrophobicContact CB-CD 4.44Å; L19-K24 HydrophobicContact CB-CG 3.83Å; L19-K24 WeakPolarHBondContact O-CE 3.38Å; S20-K24 WeakPolarHBondContact O-CG 3.44Å; S20-K24 PolarHBondContact O-N 3.03Å; E22-K24 VanDerWaalsContact C-N 3.28Å; E22-K24 PolarHBondContact O-N 2.94Å; K24-M28 VanDerWaalsContact O-CG 3.29Å; K24-M28 WeakPolarHBondContact O-CG 3.24Å; K24-M28 PolarHBondContact O-N 3.06Å
25M78.4Confident65.6Low46 Ų4668.8 Ų68.823%0.22738%0.375CS..Hα-helixtrans-73.2-37.6175.7-70.4-175.1-59.100111.8T21 E22 A23 M28 Q29 K101 V102T21-M25 WeakPolarHBondContact O-CG 3.35Å; T21-M25 PolarHBondContact O-N 2.82Å; T21-M25 VanDerWaalsContact O-N 3.16Å; E22-M25 PolarHBondContact O-N 3.43Å; E22-M25 WeakPolarHBondContact OE1-CE 3.32Å; A23-M25 VanDerWaalsContact C-N 3.34Å; A23-M25 PolarHBondContact O-N 3.35Å; M25-M28 PolarHBondContact O-N 2.72Å; M25-Q29 WeakPolarHBondContact O-CG 3.28Å; M25-Q29 PolarHBondContact O-N 2.85Å; M25-K101 HydrophobicContact CE-CB 4.11Å; M25-K101 HydrophobicContact CE-CD 3.87Å; M25-K101 HydrophobicContact CE-CG 4.1Å; M25-K101 HydrophobicContact SD-CB 3.42Å; M25-K101 WeakPolarHBondContact SD-CB 3.25Å; M25-K101 HydrophobicContact SD-CD 4.34Å; M25-K101 HydrophobicContact SD-CG 3.97Å; M25-V102 HydrophobicContact CB-CG2 4.33Å; M25-V102 HydrophobicContact CG-CG2 4.1Å
26V71.8Confident68.8Low70 Ų7060.3 Ų60.342%0.42435%0.346SS..Hα-helixtrans-61.7-44.8172.7177.30000111.3E22 A23 M28 Q29 Q30E22-V26 PolarHBondContact O-N 3.38Å; A23-V26 PolarHBondContact O-N 3.27Å; V26-M28 VanDerWaalsContact C-N 3.35Å; V26-M28 PolarHBondContact O-N 3Å; V26-Q29 WeakPolarHBondContact O-CB 3.44Å; V26-Q29 PolarHBondContact O-N 2.92Å; V26-Q30 PolarHBondContact O-N 2.87Å
27L76.7Confident71.7Confident50 Ų5060.2 Ų60.226%0.26234%0.339SS..Hα-helixtrans-58.5-43.6172.6-87.3158.4000112.7Y11 L19 A23 Q30 Q31Y11-L27 HydrophobicContact CE1-CD2 3.72Å; Y11-L27 VanDerWaalsContact OH-CD2 3.3Å; Y11-L27 WeakPolarHBondContact OH-CD2 3.36Å; L19-L27 HydrophobicContact CD1-CD1 3.55Å; A23-L27 PolarHBondContact O-N 2.87Å; L27-Q30 PolarHBondContact O-N 3.2Å; L27-Q31 PolarHBondContact O-N 3.34Å
28M85.1Confident74.8Confident48 Ų4853.7 Ų53.724%0.23631%0.309CS..Hα-helixtrans-67.8-33.7176.5-73.3178.16900112.7K24 M25 V26 L32 Y87 I88 V102K24-M28 VanDerWaalsContact O-CG 3.29Å; K24-M28 WeakPolarHBondContact O-CG 3.24Å; K24-M28 PolarHBondContact O-N 3.06Å; M25-M28 PolarHBondContact O-N 2.72Å; V26-M28 VanDerWaalsContact C-N 3.35Å; V26-M28 PolarHBondContact O-N 3Å; M28-L32 WeakPolarHBondContact O-CB 3.37Å; M28-L32 PolarHBondContact O-N 3.35Å; M28-Y87 HydrophobicContact CE-CD1 4.43Å; M28-Y87 HydrophobicContact CE-CE1 4.44Å; M28-I88 HydrophobicContact CB-CD1 4.49Å; M28-I88 HydrophobicContact CE-CG1 4.05Å; M28-I88 HydrophobicContact CG-CD1 4.23Å; M28-I88 HydrophobicContact CG-CG1 4.33Å; M28-V102 HydrophobicContact CB-CG1 3.88Å; M28-V102 HydrophobicContact CB-CG2 4.14Å; M28-V102 HydrophobicContact CE-CG1 4.37Å; M28-V102 HydrophobicContact CE-CG2 4.32Å
29Q84.5Confident77.4Confident56 Ų5650.7 Ų50.726%0.26228%0.275SS..Hα-helixtrans-64.9-50.2172.2-75.2175.8-14.700111.3M25 V26 L32 A33 K101M25-Q29 WeakPolarHBondContact O-CG 3.28Å; M25-Q29 PolarHBondContact O-N 2.85Å; V26-Q29 WeakPolarHBondContact O-CB 3.44Å; V26-Q29 PolarHBondContact O-N 2.92Å; Q29-L32 PolarHBondContact O-N 2.97Å; Q29-A33 WeakPolarHBondContact O-CB 3.47Å; Q29-A33 PolarHBondContact O-N 3.24Å; Q29-K101 PolarHBondContact NE2-O 3.37Å
30Q83.9Confident80.1Confident121 Ų12153.9 Ų53.957%0.56529%0.288SS*.Hα-helixtrans-60.3-47.7179.4-75.3-178-17.200111.6V26 L27 L32 A33 L34V26-Q30 PolarHBondContact O-N 2.87Å; L27-Q30 PolarHBondContact O-N 3.2Å; Q30-L32 VanDerWaalsContact C-N 3.34Å; Q30-L32 PolarHBondContact O-N 3.28Å; Q30-A33 PolarHBondContact O-N 3.22Å; Q30-L34 WeakPolarHBondContact O-CB 3.32Å; Q30-L34 PolarHBondContact O-N 2.9Å
31Q89Confident82Confident51 Ų5150.7 Ų50.724%0.23827%0.266CS..Hα-helixtrans-69.1-31.1178.7-171.1156.746.800112.3L27 L35 I88L27-Q31 PolarHBondContact O-N 3.34Å; Q31-L35 HydrophobicContact CG-CD1 3.99Å; Q31-L35 WeakPolarHBondContact O-CB 3.43Å; Q31-L35 VanDerWaalsContact O-CD1 3.28Å; Q31-L35 WeakPolarHBondContact O-CD1 3.4Å; Q31-L35 WeakPolarHBondContact O-CG 3.32Å; Q31-L35 PolarHBondContact O-N 2.62Å; Q31-I88 HydrophobicContact CB-CD1 4.05Å; Q31-I88 HydrophobicContact CG-CD1 4.1Å
32L92.2Very high83Confident0 Ų046.6 Ų46.60%024%0.239CC..Hα-helixtrans-66.4-43.9171.2178.857.5000112.2M28 Q29 Q30 L34 L35 L36 I88 M89 Y92 V102 I106M28-L32 WeakPolarHBondContact O-CB 3.37Å; M28-L32 PolarHBondContact O-N 3.35Å; Q29-L32 PolarHBondContact O-N 2.97Å; Q30-L32 VanDerWaalsContact C-N 3.34Å; Q30-L32 PolarHBondContact O-N 3.28Å; L32-L34 VanDerWaalsContact C-N 3.35Å; L32-L35 PolarHBondContact O-N 3Å; L32-L36 HydrophobicContact CD1-CD1 3.78Å; L32-L36 HydrophobicContact CD1-CG 4.05Å; L32-L36 HydrophobicContact CG-CD1 3.94Å; L32-L36 WeakPolarHBondContact O-CB 3.44Å; L32-L36 WeakPolarHBondContact O-CG 3.38Å; L32-L36 PolarHBondContact O-N 3.24Å; L32-I88 HydrophobicContact CB-CG2 3.59Å; L32-I88 HydrophobicContact CD1-CG2 3.73Å; L32-I88 HydrophobicContact CG-CG2 4.15Å; L32-M89 HydrophobicContact CD1-SD 4.12Å; L32-Y92 HydrophobicContact CD1-CD1 4.26Å; L32-Y92 HydrophobicContact CD1-CD2 4.15Å; L32-Y92 HydrophobicContact CD1-CG 3.75Å; L32-Y92 HydrophobicContact CD2-CD2 3.71Å; L32-Y92 HydrophobicContact CD2-CE2 4.47Å; L32-Y92 HydrophobicContact CD2-CG 4.1Å; L32-Y92 HydrophobicContact CG-CD2 4.41Å; L32-Y92 HydrophobicContact CG-CG 4.48Å; L32-V102 HydrophobicContact CD2-CG1 4.18Å; L32-I106 HydrophobicContact CB-CD1 4.11Å; L32-I106 HydrophobicContact CD2-CD1 3.89Å; L32-I106 HydrophobicContact CG-CD1 3.72Å
33A89.5Confident83.8Confident46 Ų4648.8 Ų48.838%0.3824%0.244SC..Hα-helixtrans-60.7-4517600000111Q29 Q30 L36 H37 I106Q29-A33 WeakPolarHBondContact O-CB 3.47Å; Q29-A33 PolarHBondContact O-N 3.24Å; Q30-A33 PolarHBondContact O-N 3.22Å; A33-L36 PolarHBondContact O-N 2.95Å; A33-H37 VanDerWaalsContact O-CB 3.27Å; A33-H37 WeakPolarHBondContact O-CB 3.48Å; A33-H37 PolarHBondContact O-N 3.27Å; A33-I106 HydrophobicContact CB-CD1 3.96Å
34L89.1Confident84.5Confident28 Ų2848.8 Ų48.815%0.14724%0.239CC..Hα-helixtrans-65.8-38.7177.6-168.369000112.5Q30 L32 H37 A38 D55 N57 I61Q30-L34 WeakPolarHBondContact O-CB 3.32Å; Q30-L34 PolarHBondContact O-N 2.9Å; L32-L34 VanDerWaalsContact C-N 3.35Å; L34-H37 PolarHBondContact O-N 2.96Å; L34-A38 VanDerWaalsContact O-CB 3.26Å; L34-A38 WeakPolarHBondContact O-CB 3.5Å; L34-A38 PolarHBondContact O-N 3.11Å; L34-D55 WeakPolarHBondContact CD1-OD2 3.25Å; L34-N57 HydrophobicContact CD1-CB 4.14Å; L34-N57 HydrophobicContact CD2-CB 3.7Å; L34-I61 HydrophobicContact CD2-CD1 4.34Å; L34-I61 HydrophobicContact CD2-CG1 3.65Å; L34-I61 HydrophobicContact CG-CG1 3.95Å
35L92.6Very high84.9Confident0 Ų049.1 Ų49.10%024%0.242CC..Hα-helixtrans-64.4-41.6174.1-79.2159.7000112.6Q31 L32 D39 I61 L68 I88 M89Q31-L35 HydrophobicContact CG-CD1 3.99Å; Q31-L35 WeakPolarHBondContact O-CB 3.43Å; Q31-L35 VanDerWaalsContact O-CD1 3.28Å; Q31-L35 WeakPolarHBondContact O-CD1 3.4Å; Q31-L35 WeakPolarHBondContact O-CG 3.32Å; Q31-L35 PolarHBondContact O-N 2.62Å; L32-L35 PolarHBondContact O-N 3Å; L35-D39 VanDerWaalsContact O-CB 3.32Å; L35-D39 WeakPolarHBondContact O-CB 3.37Å; L35-D39 PolarHBondContact O-N 3.37Å; L35-I61 HydrophobicContact CD2-CG2 3.6Å; L35-I61 HydrophobicContact CG-CG2 4.19Å; L35-L68 HydrophobicContact CD2-CD1 3.85Å; L35-I88 HydrophobicContact CD1-CB 4.41Å; L35-I88 HydrophobicContact CD1-CG2 4.09Å; L35-M89 HydrophobicContact CB-CG 4.34Å; L35-M89 HydrophobicContact CB-SD 4.02Å; L35-M89 HydrophobicContact CD1-CG 4.12Å
36L91.6Very high84.7Confident38 Ų3854.3 Ų54.320%0.19926%0.259CS..Hα-helixtrans-73.1-36.5177.3-69.2169.5000112L32 A33 H40 M89 Y92 I106L32-L36 HydrophobicContact CD1-CD1 3.78Å; L32-L36 HydrophobicContact CD1-CG 4.05Å; L32-L36 HydrophobicContact CG-CD1 3.94Å; L32-L36 WeakPolarHBondContact O-CB 3.44Å; L32-L36 WeakPolarHBondContact O-CG 3.38Å; L32-L36 PolarHBondContact O-N 3.24Å; A33-L36 PolarHBondContact O-N 2.95Å; L36-H40 WeakPolarHBondContact O-CB 3.34Å; L36-H40 PolarHBondContact O-N 3.14Å; L36-M89 HydrophobicContact CD2-CE 4.21Å; L36-M89 HydrophobicContact CD2-SD 4.24Å; L36-Y92 HydrophobicContact CD1-CD1 4.17Å; L36-Y92 HydrophobicContact CD1-CE1 3.77Å; L36-Y92 HydrophobicContact CD1-CE2 4.13Å; L36-Y92 HydrophobicContact CD2-CD1 4.01Å; L36-Y92 HydrophobicContact CD2-CE1 3.67Å; L36-Y92 HydrophobicContact CG-CE1 4.36Å; L36-I106 HydrophobicContact CD1-CD1 4.4Å; L36-I106 HydrophobicContact CD1-CG2 3.71Å
37H90.5Very high84.9Confident71 Ų7159.6 Ų59.633%0.32927%0.271SS..Hα-helixtrans-61.2-50.7171.3172.284.4000111A33 L34 D39 H40 C41 C53 C58A33-H37 VanDerWaalsContact O-CB 3.27Å; A33-H37 WeakPolarHBondContact O-CB 3.48Å; A33-H37 PolarHBondContact O-N 3.27Å; L34-H37 PolarHBondContact O-N 2.96Å; H37-D39 PolarHBondContact O-N 3.38Å; H37-H40 PolarHBondContact O-N 2.85Å; H37-C41 WeakPolarHBondContact O-CB 3.44Å; H37-C41 PolarHBondContact O-N 2.84Å; H37-C53 VanDerWaalsContact CE1-SG 3.6Å; H37-C53 PolarHBondContact NE2-SG 3.41Å; H37-C58 PolarHBondContact CD2-SG 3.1Å; H37-C58 PolarHBondContact NE2-SG 3.34Å; H37-C58 VanDerWaalsContact NE2-SG 3.41Å
38A91.1Very high83.8Confident0 Ų058.9 Ų58.90%028%0.276CS..Hα-helixtrans-62.4-40.5-179.500000112.3L34 C41 E42 I61 R62 L65L34-A38 VanDerWaalsContact O-CB 3.26Å; L34-A38 WeakPolarHBondContact O-CB 3.5Å; L34-A38 PolarHBondContact O-N 3.11Å; A38-C41 PolarHBondContact O-N 2.57Å; A38-E42 WeakPolarHBondContact O-CB 3.3Å; A38-E42 PolarHBondContact O-N 3.36Å; A38-I61 HydrophobicContact CB-CB 3.85Å; A38-I61 HydrophobicContact CB-CG2 3.48Å; A38-I61 VanDerWaalsContact CB-CG2 3.48Å; A38-R62 HydrophobicContact CB-CG 3.98Å; A38-L65 HydrophobicContact CB-CD1 3.84Å
39D88.3Confident82Confident12 Ų1257.5 Ų57.56%0.06427%0.269CS..Hα-helixtrans-69.7-33.5177.3178.4113.3000111.8L35 H37 R43 L65L35-D39 VanDerWaalsContact O-CB 3.32Å; L35-D39 WeakPolarHBondContact O-CB 3.37Å; L35-D39 PolarHBondContact O-N 3.37Å; H37-D39 PolarHBondContact O-N 3.38Å; D39-R43 VanDerWaalsContact O-CB 3.29Å; D39-R43 WeakPolarHBondContact O-CB 3.44Å; D39-R43 VanDerWaalsContact O-CG 3.28Å; D39-R43 WeakPolarHBondContact O-CG 3.46Å; D39-R43 PolarHBondContact O-N 3.42Å; D39-R43 VanDerWaalsContact O-N 3.1Å; D39-R43 IonicContact OD2-CZ 2.74Å; D39-R43 IonicContact OD2-NE 3.66Å; D39-R43 PolarHBondContact OD2-NE 2.86Å; D39-R43 IonicContact OD2-NH2 3.98Å; D39-R43 PolarHBondContact OD2-NH2 2.62Å; D39-L65 HydrophobicContact CB-CD1 3.89Å; D39-L65 HydrophobicContact CB-CD2 4.19Å
40H86.3Confident80.3Confident109 Ų10956.6 Ų56.651%0.50527%0.271SS..Hα-helixtrans-69.5-43.8170.2-174.956.6000112.2L36 H37 R43 L44L36-H40 WeakPolarHBondContact O-CB 3.34Å; L36-H40 PolarHBondContact O-N 3.14Å; H37-H40 PolarHBondContact O-N 2.85Å; H40-R43 CarbonylContact O-C 3.55Å; H40-R43 PolarHBondContact O-N 3.36Å; H40-L44 WeakPolarHBondContact O-CG 3.33Å; H40-L44 PolarHBondContact O-N 3.22Å
41C86.3Confident78.9Confident5 Ų552.3 Ų52.33%0.03425%0.253CS..Hα-helixtrans-60.3-48.4177.2-176.10000111.3H37 A38 R43 L44 E45 T51 C58H37-C41 WeakPolarHBondContact O-CB 3.44Å; H37-C41 PolarHBondContact O-N 2.84Å; A38-C41 PolarHBondContact O-N 2.57Å; C41-R43 VanDerWaalsContact C-N 3.3Å; C41-R43 PolarHBondContact O-N 3.47Å; C41-L44 PolarHBondContact O-N 2.84Å; C41-E45 PolarHBondContact O-N 3.38Å; C41-T51 WeakPolarHBondContact O-CG2 3.27Å; C41-T51 VanDerWaalsContact SG-CB 3.51Å; C41-T51 PolarHBondContact SG-OG1 3.37Å; C41-T51 VanDerWaalsContact SG-OG1 3.4Å; C41-C58 VanDerWaalsContact SG-SG 3.68Å
42E85.1Confident77.4Confident22 Ų2254.9 Ų54.910%0.10327%0.269CS..Hα-helixtrans-63.5-34.6174.9-153.2-148.8147.400112.1A38 R46 R62A38-E42 WeakPolarHBondContact O-CB 3.3Å; A38-E42 PolarHBondContact O-N 3.36Å; E42-R46 WeakPolarHBondContact O-CB 3.18Å; E42-R46 WeakPolarHBondContact O-CG 3.33Å; E42-R46 PolarHBondContact O-N 2.63Å; E42-R46 IonicContact OE1-CZ 2.68Å; E42-R46 IonicContact OE1-NE 3.56Å; E42-R46 PolarHBondContact OE1-NE 2.75Å; E42-R46 IonicContact OE1-NH2 3.77Å; E42-R46 PolarHBondContact OE1-NH2 3.22Å; E42-R46 IonicContact OE2-NH2 3.3Å; E42-R46 PolarHBondContact OE2-NH2 3.4Å; E42-R46 VanDerWaalsContact OE2-NH2 3.15Å; E42-R62 HydrophobicContact CB-CG 4.34Å
43R82Confident76.1Confident140 Ų14057.2 Ų57.253%0.52828%0.284SS..Hα-helixtrans-74.7-23.4174.6-78.6-165-85.5167.4-6.5114.3D39 H40 C41 R47D39-R43 VanDerWaalsContact O-CB 3.29Å; D39-R43 WeakPolarHBondContact O-CB 3.44Å; D39-R43 VanDerWaalsContact O-CG 3.28Å; D39-R43 WeakPolarHBondContact O-CG 3.46Å; D39-R43 PolarHBondContact O-N 3.42Å; D39-R43 VanDerWaalsContact O-N 3.1Å; D39-R43 IonicContact OD2-CZ 2.74Å; D39-R43 IonicContact OD2-NE 3.66Å; D39-R43 PolarHBondContact OD2-NE 2.86Å; D39-R43 IonicContact OD2-NH2 3.98Å; D39-R43 PolarHBondContact OD2-NH2 2.62Å; H40-R43 CarbonylContact O-C 3.55Å; H40-R43 PolarHBondContact O-N 3.36Å; C41-R43 VanDerWaalsContact C-N 3.3Å; C41-R43 PolarHBondContact O-N 3.47Å; R43-R47 WeakPolarHBondContact O-CD 3.34Å; R43-R47 VanDerWaalsContact O-CG 3.29Å; R43-R47 WeakPolarHBondContact O-CG 3.21Å; R43-R47 PolarHBondContact O-N 2.85Å
44L73.8Confident75.4Confident32 Ų3263.2 Ų63.217%0.16831%0.307CS..Hα-helixtrans-73.6-49168.3-73169.9000109.7H40 C41 R46 R47 G48 M49 T51 L190H40-L44 WeakPolarHBondContact O-CG 3.33Å; H40-L44 PolarHBondContact O-N 3.22Å; C41-L44 PolarHBondContact O-N 2.84Å; L44-R46 PolarHBondContact O-N 2.95Å; L44-R47 CarbonylContact O-C 3.41Å; L44-R47 WeakPolarHBondContact O-CA 3.26Å; L44-R47 WeakPolarHBondContact O-CB 3.21Å; L44-R47 PolarHBondContact O-N 3.45Å; L44-G48 PolarHBondContact O-N 3.42Å; L44-M49 CarbonylContact C-O 3.48Å; L44-M49 HydrophobicContact CB-CB 4.22Å; L44-M49 HydrophobicContact CD2-SD 3.61Å; L44-M49 WeakPolarHBondContact O-CB 3.49Å; L44-M49 PolarHBondContact O-N 3.35Å; L44-T51 HydrophobicContact CB-CG2 3.63Å; L44-T51 HydrophobicContact CD1-CG2 4.32Å; L44-L190 HydrophobicContact CD2-CD2 4.26Å
45E75.7Confident74.4Confident87 Ų8765.2 Ų65.241%0.40732%0.317SS..Hα-helixtrans-62.4-41.6179.2-163.4-172.1-83.500112.2C41 R47 G48 M49 T51 R62C41-E45 PolarHBondContact O-N 3.38Å; E45-R47 PolarHBondContact O-N 2.72Å; E45-G48 WeakPolarHBondContact O-CA 3.3Å; E45-G48 PolarHBondContact O-N 3.15Å; E45-M49 WeakPolarHBondContact CA-O 3.28Å; E45-M49 PolarHBondContact N-O 3.33Å; E45-T51 HydrophobicContact CB-CG2 4.36Å; E45-R62 IonicContact OE1-CZ 3.99Å; E45-R62 VanDerWaalsContact OE1-CZ 3.3Å; E45-R62 IonicContact OE1-NH1 2.9Å; E45-R62 PolarHBondContact OE1-NH1 2.87Å; E45-R62 IonicContact OE1-NH2 3.52Å; E45-R62 PolarHBondContact OE1-NH2 3.46Å; E45-R62 IonicContact OE2-CZ 3.41Å; E45-R62 IonicContact OE2-NH1 2.9Å; E45-R62 IonicContact OE2-NH2 3.67Å; E45-R62 PolarHBondContact OE2-NH2 2.89Å
46R74.6Confident73.7Confident154 Ų15474.3 Ų74.358%0.58135%0.352SS*.THydrogen-bonded Turntrans-68.3-7.3172.3-74.8-162.4-96.1128.5-10.8114.8E42 L44 G48E42-R46 WeakPolarHBondContact O-CB 3.18Å; E42-R46 WeakPolarHBondContact O-CG 3.33Å; E42-R46 PolarHBondContact O-N 2.63Å; E42-R46 IonicContact OE1-CZ 2.68Å; E42-R46 IonicContact OE1-NE 3.56Å; E42-R46 PolarHBondContact OE1-NE 2.75Å; E42-R46 IonicContact OE1-NH2 3.77Å; E42-R46 PolarHBondContact OE1-NH2 3.22Å; E42-R46 IonicContact OE2-NH2 3.3Å; E42-R46 PolarHBondContact OE2-NH2 3.4Å; E42-R46 VanDerWaalsContact OE2-NH2 3.15Å; L44-R46 PolarHBondContact O-N 2.95Å; R46-G48 VanDerWaalsContact C-N 3.35Å
47R75.8Confident73.1Confident182 Ų18275.7 Ų75.769%0.68736%0.359SS*.THydrogen-bonded Turntrans-94.58.8164.9-72.8174.4179.6-155.4-2.3112.6R43 L44 E45 M49R43-R47 WeakPolarHBondContact O-CD 3.34Å; R43-R47 VanDerWaalsContact O-CG 3.29Å; R43-R47 WeakPolarHBondContact O-CG 3.21Å; R43-R47 PolarHBondContact O-N 2.85Å; L44-R47 CarbonylContact O-C 3.41Å; L44-R47 WeakPolarHBondContact O-CA 3.26Å; L44-R47 WeakPolarHBondContact O-CB 3.21Å; L44-R47 PolarHBondContact O-N 3.45Å; E45-R47 PolarHBondContact O-N 2.72Å; R47-M49 VanDerWaalsContact C-N 3.31Å
48G53.2Low73Confident35 Ų3572.5 Ų72.536%0.36135%0.345SS..THydrogen-bonded Turntrans70.524.5-17400000113L44 E45 R46 Q187L44-G48 PolarHBondContact O-N 3.42Å; E45-G48 WeakPolarHBondContact O-CA 3.3Å; E45-G48 PolarHBondContact O-N 3.15Å; R46-G48 VanDerWaalsContact C-N 3.35Å; G48-Q187 VanDerWaalsContact O-CD 3.25Å; G48-Q187 WeakPolarHBondContact O-CG 3.46Å; G48-Q187 PolarHBondContact O-NE2 3.15Å
49M46.6Very low72.5Confident18 Ų1874.4 Ų74.49%0.08937%0.365CS..  trans-98.4105.9172-67170.6159.300109.6L44 E45 R47 T51 Q186 L190L44-M49 CarbonylContact C-O 3.48Å; L44-M49 HydrophobicContact CB-CB 4.22Å; L44-M49 HydrophobicContact CD2-SD 3.61Å; L44-M49 WeakPolarHBondContact O-CB 3.49Å; L44-M49 PolarHBondContact O-N 3.35Å; E45-M49 WeakPolarHBondContact CA-O 3.28Å; E45-M49 PolarHBondContact N-O 3.33Å; R47-M49 VanDerWaalsContact C-N 3.31Å; M49-T51 WeakPolarHBondContact O-CG2 3.48Å; M49-T51 PolarHBondContact O-N 2.96Å; M49-T51 VanDerWaalsContact O-N 3.12Å; M49-Q186 HydrophobicContact CE-CB 3.77Å; M49-Q186 HydrophobicContact CE-CG 3.56Å; M49-L190 HydrophobicContact CB-CD2 4.12Å; M49-L190 HydrophobicContact CE-CB 4.26Å; M49-L190 HydrophobicContact CE-CD1 4.21Å; M49-L190 HydrophobicContact CG-CD2 4.28Å; M49-L190 HydrophobicContact SD-CD1 4.17Å; M49-L190 HydrophobicContact SD-CD2 3.82Å; M49-L190 HydrophobicContact SD-CG 4.4Å
50A49Very low72.4Confident37 Ų3780.4 Ų80.431%0.30639%0.392SS..  trans-60.8114.6-175.600000111.8N52 F242A50-N52 PolarHBondContact O-N 2.94Å; A50-F242 HydrophobicContact CB-CD2 4.22Å; A50-F242 HydrophobicContact CB-CE2 3.63Å; A50-F242 HydrophobicContact CB-CZ 3.97Å
51T54.7Low72.5Confident32 Ų3275.6 Ų75.620%0.19637%0.37CS..  trans-94.485.3-175.955.70000111.9C41 L44 E45 M49 C53 R62C41-T51 WeakPolarHBondContact O-CG2 3.27Å; C41-T51 VanDerWaalsContact SG-CB 3.51Å; C41-T51 PolarHBondContact SG-OG1 3.37Å; C41-T51 VanDerWaalsContact SG-OG1 3.4Å; L44-T51 HydrophobicContact CB-CG2 3.63Å; L44-T51 HydrophobicContact CD1-CG2 4.32Å; E45-T51 HydrophobicContact CB-CG2 4.36Å; M49-T51 WeakPolarHBondContact O-CG2 3.48Å; M49-T51 PolarHBondContact O-N 2.96Å; M49-T51 VanDerWaalsContact O-N 3.12Å; T51-C53 PolarHBondContact O-N 3.41Å; T51-R62 PolarHBondContact OG1-NH1 3.07Å
52N58Low72.6Confident105 Ų10577.6 Ų77.656%0.56138%0.377SS*.  trans-68.872.7160.3-76.61.3000109.4A50A50-N52 PolarHBondContact O-N 2.94Å
53C64.9Low72.7Confident48 Ų4883 Ų8332%0.32441%0.407SS..  trans-77.7129.2176.3-175.30000110.1H37 T51 D55H37-C53 VanDerWaalsContact CE1-SG 3.6Å; H37-C53 PolarHBondContact NE2-SG 3.41Å; T51-C53 PolarHBondContact O-N 3.41Å; C53-D55 PolarHBondContact SG-N 2.96Å; C53-D55 VanDerWaalsContact SG-N 3.37Å
54M74.1Confident73.1Confident173 Ų17376.9 Ų76.985%0.85238%0.384SS*.  trans-94.4-3.6178.9-55-166.179.700113.3R56M54-R56 PolarHBondContact O-N 2.78Å
55D68.7Low73.8Confident70 Ų7075.6 Ų75.637%0.37438%0.378SS..  trans-74.5108.3171.1-171-40.3000109.2L34 C53 N57 C58L34-D55 WeakPolarHBondContact CD1-OD2 3.25Å; C53-D55 PolarHBondContact SG-N 2.96Å; C53-D55 VanDerWaalsContact SG-N 3.37Å; D55-N57 PolarHBondContact O-N 2.91Å; D55-N57 PolarHBondContact OD1-N 3.08Å; D55-C58 HydrophobicContact CB-CB 4.21Å; D55-C58 VanDerWaalsContact O-CB 3.27Å; D55-C58 WeakPolarHBondContact O-CB 3.32Å; D55-C58 PolarHBondContact O-N 3.41Å
56R77.2Confident74.4Confident191 Ų19174.7 Ų74.772%0.72138%0.38SS*.THydrogen-bonded Turntrans-53.5-29.3-176.4-74.7-178.1164.6-167.9-5.5113.6T6 M54T6-R56 VanDerWaalsContact CG2-NH1 3.27Å; M54-R56 PolarHBondContact O-N 2.78Å
57N80.1Confident75.2Confident66 Ų6669.7 Ų69.735%0.35336%0.363SS..THydrogen-bonded Turntrans-94.1-6-173.6-58.6-4000112.3L34 D55 G59 E60 I61L34-N57 HydrophobicContact CD1-CB 4.14Å; L34-N57 HydrophobicContact CD2-CB 3.7Å; D55-N57 PolarHBondContact O-N 2.91Å; D55-N57 PolarHBondContact OD1-N 3.08Å; N57-G59 VanDerWaalsContact C-N 3.32Å; N57-G59 PolarHBondContact O-N 3.44Å; N57-E60 PolarHBondContact O-N 3.06Å; N57-I61 PolarHBondContact O-N 3.02Å
58C86.5Confident75.8Confident4 Ų462 Ų623%0.02734%0.335CS..Hα-helixtrans-61.8-37.8-179.7-174.70000112.4H37 C41 D55 I61 R62H37-C58 PolarHBondContact CD2-SG 3.1Å; H37-C58 PolarHBondContact NE2-SG 3.34Å; H37-C58 VanDerWaalsContact NE2-SG 3.41Å; C41-C58 VanDerWaalsContact SG-SG 3.68Å; D55-C58 HydrophobicContact CB-CB 4.21Å; D55-C58 VanDerWaalsContact O-CB 3.27Å; D55-C58 WeakPolarHBondContact O-CB 3.32Å; D55-C58 PolarHBondContact O-N 3.41Å; C58-I61 PolarHBondContact O-N 2.91Å; C58-R62 WeakPolarHBondContact O-CB 3.37Å; C58-R62 WeakPolarHBondContact O-CG 3.49Å; C58-R62 PolarHBondContact O-N 3.01Å
59G82.6Confident77.3Confident41 Ų4166 Ų6642%0.42335%0.345SS..Hα-helixtrans-61.1-45.3-18000000113.7N57 R62 N63N57-G59 VanDerWaalsContact C-N 3.32Å; N57-G59 PolarHBondContact O-N 3.44Å; G59-R62 PolarHBondContact O-N 3.36Å; G59-N63 PolarHBondContact O-N 2.79Å; G59-N63 PolarHBondContact O-ND2 2.86Å
60E84.8Confident79.2Confident137 Ų13769.2 Ų69.264%0.6437%0.369SS*.Hα-helixtrans-64.8-44.9178-63.4-168142.500111.9N57 R62 N63 L64N57-E60 PolarHBondContact O-N 3.06Å; E60-R62 VanDerWaalsContact C-N 3.34Å; E60-R62 PolarHBondContact O-N 2.91Å; E60-N63 PolarHBondContact O-N 2.84Å; E60-L64 PolarHBondContact O-N 3.4Å
61I89.6Confident80.9Confident8 Ų868.3 Ų68.34%0.04136%0.36CS..Hα-helixtrans-68.9-34.6179.4-58.5-59.8000111.3L34 L35 A38 N57 C58 L64 L65L34-I61 HydrophobicContact CD2-CD1 4.34Å; L34-I61 HydrophobicContact CD2-CG1 3.65Å; L34-I61 HydrophobicContact CG-CG1 3.95Å; L35-I61 HydrophobicContact CD2-CG2 3.6Å; L35-I61 HydrophobicContact CG-CG2 4.19Å; A38-I61 HydrophobicContact CB-CB 3.85Å; A38-I61 HydrophobicContact CB-CG2 3.48Å; A38-I61 VanDerWaalsContact CB-CG2 3.48Å; N57-I61 PolarHBondContact O-N 3.02Å; C58-I61 PolarHBondContact O-N 2.91Å; I61-L64 HydrophobicContact CD1-CD2 4.37Å; I61-L64 CarbonylContact O-C 3.6Å; I61-L64 WeakPolarHBondContact O-CA 3.46Å; I61-L64 WeakPolarHBondContact O-CB 3.46Å; I61-L64 PolarHBondContact O-N 3.42Å; I61-L64 VanDerWaalsContact O-N 3.1Å; I61-L65 WeakPolarHBondContact O-CG 3.24Å; I61-L65 PolarHBondContact O-N 3.35Å
62R88.3Confident82.3Confident47 Ų4772.9 Ų72.918%0.17739%0.388CS..Hα-helixtrans-62.4-39.9171.4-81.2-171.353.9-169.1-16.7112.5A38 E42 E45 T51 C58 G59 E60 L64 L65 P66A38-R62 HydrophobicContact CB-CG 3.98Å; E42-R62 HydrophobicContact CB-CG 4.34Å; E45-R62 IonicContact OE1-CZ 3.99Å; E45-R62 VanDerWaalsContact OE1-CZ 3.3Å; E45-R62 IonicContact OE1-NH1 2.9Å; E45-R62 PolarHBondContact OE1-NH1 2.87Å; E45-R62 IonicContact OE1-NH2 3.52Å; E45-R62 PolarHBondContact OE1-NH2 3.46Å; E45-R62 IonicContact OE2-CZ 3.41Å; E45-R62 IonicContact OE2-NH1 2.9Å; E45-R62 IonicContact OE2-NH2 3.67Å; E45-R62 PolarHBondContact OE2-NH2 2.89Å; T51-R62 PolarHBondContact OG1-NH1 3.07Å; C58-R62 WeakPolarHBondContact O-CB 3.37Å; C58-R62 WeakPolarHBondContact O-CG 3.49Å; C58-R62 PolarHBondContact O-N 3.01Å; G59-R62 PolarHBondContact O-N 3.36Å; E60-R62 VanDerWaalsContact C-N 3.34Å; E60-R62 PolarHBondContact O-N 2.91Å; R62-L64 VanDerWaalsContact C-N 3.26Å; R62-L64 PolarHBondContact O-N 3.08Å; R62-L65 PolarHBondContact O-N 2.89Å; R62-P66 WeakPolarHBondContact O-CD 3.19Å
63N85.9Confident83.4Confident136 Ų13675.2 Ų75.273%0.72739%0.389SS*.Hα-helixtrans-66.5-28.1172.2-69.9-25.4000112.6G59 E60G59-N63 PolarHBondContact O-N 2.79Å; G59-N63 PolarHBondContact O-ND2 2.86Å; E60-N63 PolarHBondContact O-N 2.84Å
64L90.8Very high83.4Confident11 Ų1178 Ų786%0.05840%0.397CS..Hα-helixtrans-78.5-25.8176.6-173.261.8000113.7E60 I61 R62 H67 L68 V79 P80 H81 C82E60-L64 PolarHBondContact O-N 3.4Å; I61-L64 HydrophobicContact CD1-CD2 4.37Å; I61-L64 CarbonylContact O-C 3.6Å; I61-L64 WeakPolarHBondContact O-CA 3.46Å; I61-L64 WeakPolarHBondContact O-CB 3.46Å; I61-L64 PolarHBondContact O-N 3.42Å; I61-L64 VanDerWaalsContact O-N 3.1Å; R62-L64 VanDerWaalsContact C-N 3.26Å; R62-L64 PolarHBondContact O-N 3.08Å; L64-H67 WeakPolarHBondContact O-CB 3.47Å; L64-H67 PolarHBondContact O-N 3.44Å; L64-L68 HydrophobicContact CD2-CD1 4.11Å; L64-L68 HydrophobicContact CG-CD1 3.83Å; L64-L68 HydrophobicContact CG-CG 4.01Å; L64-L68 WeakPolarHBondContact O-CG 3.39Å; L64-L68 PolarHBondContact O-N 3.44Å; L64-V79 HydrophobicContact CD1-CG1 3.64Å; L64-P80 WeakPolarHBondContact CD1-O 3.47Å; L64-H81 HydrophobicContact CD2-CB 3.95Å; L64-C82 HydrophobicContact CD1-CB 4.22Å
65L89.3Confident83.3Confident5 Ų577.9 Ų77.93%0.02639%0.392CS..Hα-helixtrans-62.5-47.2-174.7-82.6168000114.7A38 D39 I61 R62 H67 L68 Q69A38-L65 HydrophobicContact CB-CD1 3.84Å; D39-L65 HydrophobicContact CB-CD1 3.89Å; D39-L65 HydrophobicContact CB-CD2 4.19Å; I61-L65 WeakPolarHBondContact O-CG 3.24Å; I61-L65 PolarHBondContact O-N 3.35Å; R62-L65 PolarHBondContact O-N 2.89Å; L65-H67 PolarHBondContact O-N 3.4Å; L65-L68 HydrophobicContact CD2-CD1 4.37Å; L65-L68 PolarHBondContact O-N 3.17Å; L65-L68 VanDerWaalsContact O-N 3.11Å; L65-Q69 WeakPolarHBondContact O-CG 3.25Å; L65-Q69 PolarHBondContact O-N 3.36Å; L65-Q69 VanDerWaalsContact O-N 3.09Å
66P87.4Confident83.9Confident69 Ų6981.9 Ų81.945%0.44841%0.408SS..Hα-helixtrans-57.8-37.4173.5-26.234.7000112.5R62 S70R62-P66 WeakPolarHBondContact O-CD 3.19Å; P66-S70 WeakPolarHBondContact O-CB 3.35Å; P66-S70 PolarHBondContact O-N 2.98Å; P66-S70 VanDerWaalsContact O-N 3.12Å; P66-S70 PolarHBondContact O-OG 2.89Å
67H91.7Very high84.1Confident48 Ų4873.7 Ų73.722%0.22238%0.38CS..Hα-helixtrans-69.3-40.4175-17775.5000112.1L64 L65 Q69 S70 C71 C77 C82L64-H67 WeakPolarHBondContact O-CB 3.47Å; L64-H67 PolarHBondContact O-N 3.44Å; L65-H67 PolarHBondContact O-N 3.4Å; H67-Q69 VanDerWaalsContact C-N 3.27Å; H67-Q69 PolarHBondContact O-N 2.87Å; H67-S70 PolarHBondContact O-N 2.64Å; H67-S70 PolarHBondContact O-OG 3.21Å; H67-C71 WeakPolarHBondContact NE2-CB 3.3Å; H67-C71 WeakPolarHBondContact O-CB 3.37Å; H67-C71 PolarHBondContact O-N 2.88Å; H67-C77 PolarHBondContact NE2-SG 3.14Å; H67-C82 PolarHBondContact CD2-SG 3.34Å; H67-C82 PolarHBondContact NE2-SG 2.91Å; H67-C82 VanDerWaalsContact NE2-SG 3.41Å
68L89.3Confident84.4Confident22 Ų2277.7 Ų77.712%0.11540%0.401CS..Hα-helixtrans-61.4-33.8176.4-80.4165.6000113.2L35 L64 L65 C82 K86L35-L68 HydrophobicContact CD2-CD1 3.85Å; L64-L68 HydrophobicContact CD2-CD1 4.11Å; L64-L68 HydrophobicContact CG-CD1 3.83Å; L64-L68 HydrophobicContact CG-CG 4.01Å; L64-L68 WeakPolarHBondContact O-CG 3.39Å; L64-L68 PolarHBondContact O-N 3.44Å; L65-L68 HydrophobicContact CD2-CD1 4.37Å; L65-L68 PolarHBondContact O-N 3.17Å; L65-L68 VanDerWaalsContact O-N 3.11Å; L68-C82 WeakPolarHBondContact CD2-O 3.36Å; L68-K86 HydrophobicContact CD2-CB 3.94Å; L68-K86 HydrophobicContact CD2-CD 4.48Å; L68-K86 HydrophobicContact CD2-CG 3.86Å
69Q82.9Confident84.1Confident119 Ų11980.2 Ų80.256%0.55642%0.417SS*.Hα-helixtrans-78.5-37.7177.9-64.6-174.220.400113.1L65 H67L65-Q69 WeakPolarHBondContact O-CG 3.25Å; L65-Q69 PolarHBondContact O-N 3.36Å; L65-Q69 VanDerWaalsContact O-N 3.09Å; H67-Q69 VanDerWaalsContact C-N 3.27Å; H67-Q69 PolarHBondContact O-N 2.87Å
70S86.6Confident83.8Confident85 Ų8581.3 Ų81.359%0.59442%0.416SS*.Hα-helixtrans-90.6-25.3-175.9560000114.7P66 H67 T72P66-S70 WeakPolarHBondContact O-CB 3.35Å; P66-S70 PolarHBondContact O-N 2.98Å; P66-S70 VanDerWaalsContact O-N 3.12Å; P66-S70 PolarHBondContact O-OG 2.89Å; H67-S70 PolarHBondContact O-N 2.64Å; H67-S70 PolarHBondContact O-OG 3.21Å; S70-T72 PolarHBondContact O-N 3.13Å
71C85.7Confident83.7Confident18 Ų1877.1 Ų77.112%0.12240%0.396CS..  trans-65.3127.3-176.71770000111.8H67 R73 K86H67-C71 WeakPolarHBondContact NE2-CB 3.3Å; H67-C71 WeakPolarHBondContact O-CB 3.37Å; H67-C71 PolarHBondContact O-N 2.88Å; C71-R73 PolarHBondContact SG-N 2.78Å; C71-R73 PolarHBondContact SG-O 2.88Å; C71-K86 WeakPolarHBondContact O-CE 3.44Å; C71-K86 PolarHBondContact O-NZ 3.4Å; C71-K86 PolarHBondContact SG-NZ 3.02Å
72T84.7Confident83.7Confident127 Ų12776.8 Ų76.878%0.77940%0.395SS*.  trans-94-17.6172.852.10000113.4S70 E74S70-T72 PolarHBondContact O-N 3.13Å; T72-E74 PolarHBondContact O-N 3.12Å
73R79.5Confident83.6Confident155 Ų15578 Ų7859%0.58540%0.404SS*.  trans-71.5115.9-178-50.9-171.7-170.7-172.31.9110.1C71 E76 C77 K86C71-R73 PolarHBondContact SG-N 2.78Å; C71-R73 PolarHBondContact SG-O 2.88Å; R73-E76 VanDerWaalsContact CB-O 3.32Å; R73-E76 WeakPolarHBondContact CB-O 3.38Å; R73-E76 WeakPolarHBondContact CD-O 3.43Å; R73-C77 HydrophobicContact CB-CB 4.26Å; R73-K86 PolarHBondContact O-NZ 3.1Å
74E64.9Low83.7Confident105 Ų10573.8 Ų73.849%0.49139%0.385SS..SBendtrans-88.4-26.3-177.2-66.5-147.1126.100114.5T72 R90T72-E74 PolarHBondContact O-N 3.12Å; E74-R90 IonicContact OE1-CZ 3.23Å; E74-R90 IonicContact OE1-NH1 2.69Å; E74-R90 PolarHBondContact OE1-NH1 3.45Å; E74-R90 IonicContact OE1-NH2 3.32Å; E74-R90 PolarHBondContact OE1-NH2 2.93Å; E74-R90 IonicContact OE2-NH1 3.25Å
75K73.2Confident83.7Confident171 Ų17173.3 Ų73.374%0.74338%0.383SS*.SBendtrans-126.2-21.4-168.3-64.8172.7-174166.40113.9
76E80.5Confident83.7Confident154 Ų15474.5 Ų74.572%0.7239%0.388SS*.  trans-139.784.5-172.4-72168.3-157.300109.2R73R73-E76 VanDerWaalsContact CB-O 3.32Å; R73-E76 WeakPolarHBondContact CB-O 3.38Å; R73-E76 WeakPolarHBondContact CD-O 3.43Å
77C82.9Confident83.8Confident19 Ų1979.1 Ų79.113%0.12840%0.397CS..  trans-126131.8169.3-165.90000109.5H67 R73 V79 C82 I83H67-C77 PolarHBondContact NE2-SG 3.14Å; R73-C77 HydrophobicContact CB-CB 4.26Å; C77-V79 VanDerWaalsContact C-N 3.32Å; C77-C82 HydrophobicContact CB-CB 4.36Å; C77-I83 HydrophobicContact CB-CG1 4.31Å
78N84.5Confident83.7Confident151 Ų15177.1 Ų77.181%0.80739%0.389SS*.  trans-85.5-5.3-176.2-60.315.4000112.7
79V80.2Confident83.6Confident57 Ų5777 Ų7735%0.34539%0.387SS..SBendtrans-73.4123.9174.8179.30000109L64 C77 C82L64-V79 HydrophobicContact CD1-CG1 3.64Å; C77-V79 VanDerWaalsContact C-N 3.32Å; V79-C82 HydrophobicContact CB-CB 4.22Å; V79-C82 VanDerWaalsContact O-CB 3.23Å; V79-C82 WeakPolarHBondContact O-CB 3.09Å; V79-C82 PolarHBondContact O-N 3.34Å
80P77.8Confident83.8Confident63 Ų6377.6 Ų77.641%0.40938%0.384SS..THydrogen-bonded Turntrans-50141-177.7-30.536.3000113.6N13 L64 C82N13-P80 WeakPolarHBondContact OD1-CA 3.2Å; L64-P80 WeakPolarHBondContact CD1-O 3.47Å; P80-C82 PolarHBondContact O-N 2.98Å
81H81.6Confident83.9Confident49 Ų4976.2 Ų76.223%0.22737%0.369CS..THydrogen-bonded Turntrans55.43.6178.6-40.2-68000116.7Y11 N13 L64 I83 S84 S85Y11-H81 PolarHBondContact O-CE1 3.21Å; Y11-H81 VanDerWaalsContact O-CE1 3.31Å; N13-H81 PolarHBondContact OD1-N 3.39Å; N13-H81 VanDerWaalsContact OD1-N 3.15Å; L64-H81 HydrophobicContact CD2-CB 3.95Å; H81-I83 PolarHBondContact O-N 3.05Å; H81-S84 PolarHBondContact O-OG 2.93Å; H81-S84 VanDerWaalsContact O-OG 3.09Å; H81-S85 WeakPolarHBondContact O-CB 3.45Å; H81-S85 PolarHBondContact O-N 2.67Å; H81-S85 PolarHBondContact O-OG 2.81Å
82C90.7Very high84.2Confident1 Ų177.7 Ų77.71%0.00737%0.372CS..Hα-helixtrans-57.9-53.4-180174.80000110.8L64 H67 L68 C77 V79 P80 S84 S85 K86L64-C82 HydrophobicContact CD1-CB 4.22Å; H67-C82 PolarHBondContact CD2-SG 3.34Å; H67-C82 PolarHBondContact NE2-SG 2.91Å; H67-C82 VanDerWaalsContact NE2-SG 3.41Å; L68-C82 WeakPolarHBondContact CD2-O 3.36Å; C77-C82 HydrophobicContact CB-CB 4.36Å; V79-C82 HydrophobicContact CB-CB 4.22Å; V79-C82 VanDerWaalsContact O-CB 3.23Å; V79-C82 WeakPolarHBondContact O-CB 3.09Å; V79-C82 PolarHBondContact O-N 3.34Å; P80-C82 PolarHBondContact O-N 2.98Å; C82-S84 PolarHBondContact O-N 3.1Å; C82-S85 PolarHBondContact O-N 2.9Å; C82-K86 WeakPolarHBondContact O-CB 3.27Å; C82-K86 PolarHBondContact O-N 3.46Å
83I86.6Confident84.5Confident72 Ų7280 Ų8037%0.36937%0.366SS..Hα-helixtrans-63.9-44.8-172.8-54.1171.9000111.4C77 H81 Y87C77-I83 HydrophobicContact CB-CG1 4.31Å; H81-I83 PolarHBondContact O-N 3.05Å; I83-Y87 PolarHBondContact O-N 3.1Å; I83-Y87 VanDerWaalsContact O-N 3.15Å
84S85.9Confident84.8Confident49 Ų4977 Ų7734%0.34337%0.369SS..Hα-helixtrans-65.6-48.1178.5510000111.7H81 C82 K86 Y87 I88H81-S84 PolarHBondContact O-OG 2.93Å; H81-S84 VanDerWaalsContact O-OG 3.09Å; C82-S84 PolarHBondContact O-N 3.1Å; S84-K86 VanDerWaalsContact C-N 3.32Å; S84-K86 PolarHBondContact O-N 3.46Å; S84-Y87 WeakPolarHBondContact O-CB 3.04Å; S84-Y87 PolarHBondContact O-N 2.69Å; S84-Y87 VanDerWaalsContact O-N 3.14Å; S84-I88 WeakPolarHBondContact O-CG1 3.38Å; S84-I88 PolarHBondContact O-N 2.69Å
85S92Very high85.7Confident0 Ų072.8 Ų72.80%035%0.351CS..Hα-helixtrans-63.3-37.6-179.7-57.80000112.2H81 C82 I88 M89H81-S85 WeakPolarHBondContact O-CB 3.45Å; H81-S85 PolarHBondContact O-N 2.67Å; H81-S85 PolarHBondContact O-OG 2.81Å; C82-S85 PolarHBondContact O-N 2.9Å; S85-I88 PolarHBondContact O-N 2.92Å; S85-M89 WeakPolarHBondContact O-CB 3.5Å; S85-M89 WeakPolarHBondContact O-CG 3.48Å; S85-M89 PolarHBondContact O-N 3.45Å
86K89.7Confident86.1Confident31 Ų3167.7 Ų67.714%0.13535%0.347CS..Hα-helixtrans-62.6-42.6173.1-126.1170.4179.51790112.1L68 C71 R73 C82 S84 R90L68-K86 HydrophobicContact CD2-CB 3.94Å; L68-K86 HydrophobicContact CD2-CD 4.48Å; L68-K86 HydrophobicContact CD2-CG 3.86Å; C71-K86 WeakPolarHBondContact O-CE 3.44Å; C71-K86 PolarHBondContact O-NZ 3.4Å; C71-K86 PolarHBondContact SG-NZ 3.02Å; R73-K86 PolarHBondContact O-NZ 3.1Å; C82-K86 WeakPolarHBondContact O-CB 3.27Å; C82-K86 PolarHBondContact O-N 3.46Å; S84-K86 VanDerWaalsContact C-N 3.32Å; S84-K86 PolarHBondContact O-N 3.46Å; K86-R90 WeakPolarHBondContact O-CB 3.42Å; K86-R90 PolarHBondContact O-N 2.8Å
87Y88.4Confident86.1Confident165 Ų16564.4 Ų64.465%0.64734%0.335SS*.Hα-helixtrans-65-44.6178.4-170.7-87.7000111.2M28 I83 S84 R90 H91M28-Y87 HydrophobicContact CE-CD1 4.43Å; M28-Y87 HydrophobicContact CE-CE1 4.44Å; I83-Y87 PolarHBondContact O-N 3.1Å; I83-Y87 VanDerWaalsContact O-N 3.15Å; S84-Y87 WeakPolarHBondContact O-CB 3.04Å; S84-Y87 PolarHBondContact O-N 2.69Å; S84-Y87 VanDerWaalsContact O-N 3.14Å; Y87-R90 PolarHBondContact O-N 2.82Å; Y87-H91 WeakPolarHBondContact O-CB 3.27Å; Y87-H91 PolarHBondContact O-N 3.12Å
88I89.7Confident85.7Confident7 Ų769 Ų694%0.03636%0.356CS..Hα-helixtrans-61.9-50.9176.6-71.4168.5000111.2M28 Q31 L32 L35 S84 S85 R90 H91 Y92M28-I88 HydrophobicContact CB-CD1 4.49Å; M28-I88 HydrophobicContact CE-CG1 4.05Å; M28-I88 HydrophobicContact CG-CD1 4.23Å; M28-I88 HydrophobicContact CG-CG1 4.33Å; Q31-I88 HydrophobicContact CB-CD1 4.05Å; Q31-I88 HydrophobicContact CG-CD1 4.1Å; L32-I88 HydrophobicContact CB-CG2 3.59Å; L32-I88 HydrophobicContact CD1-CG2 3.73Å; L32-I88 HydrophobicContact CG-CG2 4.15Å; L35-I88 HydrophobicContact CD1-CB 4.41Å; L35-I88 HydrophobicContact CD1-CG2 4.09Å; S84-I88 WeakPolarHBondContact O-CG1 3.38Å; S84-I88 PolarHBondContact O-N 2.69Å; S85-I88 PolarHBondContact O-N 2.92Å; I88-R90 PolarHBondContact O-N 3.17Å; I88-H91 PolarHBondContact O-N 2.7Å; I88-Y92 PolarHBondContact O-N 3.47Å
89M88.2Confident85.3Confident18 Ų1870.2 Ų70.29%0.08936%0.356CS..Hα-helixtrans-66.8-34.2178.9-75-63.9-77.500113L32 L35 L36 S85 R93L32-M89 HydrophobicContact CD1-SD 4.12Å; L35-M89 HydrophobicContact CB-CG 4.34Å; L35-M89 HydrophobicContact CB-SD 4.02Å; L35-M89 HydrophobicContact CD1-CG 4.12Å; L36-M89 HydrophobicContact CD2-CE 4.21Å; L36-M89 HydrophobicContact CD2-SD 4.24Å; S85-M89 WeakPolarHBondContact O-CB 3.5Å; S85-M89 WeakPolarHBondContact O-CG 3.48Å; S85-M89 PolarHBondContact O-N 3.45Å; M89-R93 WeakPolarHBondContact O-CB 3.47Å; M89-R93 VanDerWaalsContact O-CG 3.26Å; M89-R93 WeakPolarHBondContact O-CG 3.41Å; M89-R93 PolarHBondContact O-N 3.14Å
90R86.9Confident85.5Confident132 Ų13268.1 Ų68.150%0.49834%0.344SS..Hα-helixtrans-63.2-49.1172.7-178.3174.8-64.6-174.2-3.1110.7E74 K86 Y87 I88 R93 S94E74-R90 IonicContact OE1-CZ 3.23Å; E74-R90 IonicContact OE1-NH1 2.69Å; E74-R90 PolarHBondContact OE1-NH1 3.45Å; E74-R90 IonicContact OE1-NH2 3.32Å; E74-R90 PolarHBondContact OE1-NH2 2.93Å; E74-R90 IonicContact OE2-NH1 3.25Å; K86-R90 WeakPolarHBondContact O-CB 3.42Å; K86-R90 PolarHBondContact O-N 2.8Å; Y87-R90 PolarHBondContact O-N 2.82Å; I88-R90 PolarHBondContact O-N 3.17Å; R90-R93 PolarHBondContact O-N 2.95Å; R90-S94 WeakPolarHBondContact O-CB 3.24Å; R90-S94 PolarHBondContact O-N 3.33Å; R90-S94 PolarHBondContact O-OG 2.78Å; R90-S94 VanDerWaalsContact O-OG 3.13Å
91H89.3Confident85.5Confident56 Ų5670.6 Ų70.626%0.25935%0.349SS..Hα-helixtrans-58.8-48.2176.7176.855.7000111.7Y87 I88 R93 S94 C95 C100Y87-H91 WeakPolarHBondContact O-CB 3.27Å; Y87-H91 PolarHBondContact O-N 3.12Å; I88-H91 PolarHBondContact O-N 2.7Å; H91-R93 VanDerWaalsContact C-N 3.31Å; H91-R93 PolarHBondContact O-N 3.07Å; H91-S94 PolarHBondContact O-N 2.79Å; H91-S94 PolarHBondContact O-OG 2.75Å; H91-C95 WeakPolarHBondContact O-CB 3.35Å; H91-C95 PolarHBondContact O-N 2.94Å; H91-C100 PolarHBondContact NE2-SG 2.73Å; H91-C100 VanDerWaalsContact NE2-SG 3.4Å
92Y91.9Very high85.6Confident50 Ų5068.7 Ų68.720%0.19634%0.341CS..Hα-helixtrans-62.1-35.2178.2179.6-106.2000113.6L32 L36 I88 C103 R107L32-Y92 HydrophobicContact CD1-CD1 4.26Å; L32-Y92 HydrophobicContact CD1-CD2 4.15Å; L32-Y92 HydrophobicContact CD1-CG 3.75Å; L32-Y92 HydrophobicContact CD2-CD2 3.71Å; L32-Y92 HydrophobicContact CD2-CE2 4.47Å; L32-Y92 HydrophobicContact CD2-CG 4.1Å; L32-Y92 HydrophobicContact CG-CD2 4.41Å; L32-Y92 HydrophobicContact CG-CG 4.48Å; L36-Y92 HydrophobicContact CD1-CD1 4.17Å; L36-Y92 HydrophobicContact CD1-CE1 3.77Å; L36-Y92 HydrophobicContact CD1-CE2 4.13Å; L36-Y92 HydrophobicContact CD2-CD1 4.01Å; L36-Y92 HydrophobicContact CD2-CE1 3.67Å; L36-Y92 HydrophobicContact CG-CE1 4.36Å; I88-Y92 PolarHBondContact O-N 3.47Å; Y92-C103 HydrophobicContact CD2-CB 4.06Å; Y92-R107 HydrophobicContact CE2-CG 3.92Å; Y92-R107 PolarHBondContact O-NH2 3.11Å
93R89.3Confident85.5Confident174 Ų17468.7 Ų68.766%0.65734%0.34SS*.Hα-helixtrans-74.4-30.9175.8-71.8175.5-176.1-1732.3113.2M89 R90 H91M89-R93 WeakPolarHBondContact O-CB 3.47Å; M89-R93 VanDerWaalsContact O-CG 3.26Å; M89-R93 WeakPolarHBondContact O-CG 3.41Å; M89-R93 PolarHBondContact O-N 3.14Å; R90-R93 PolarHBondContact O-N 2.95Å; H91-R93 VanDerWaalsContact C-N 3.31Å; H91-R93 PolarHBondContact O-N 3.07Å
94S86Confident85.2Confident93 Ų9367 Ų6765%0.6534%0.335SS*.Hα-helixtrans-96.2-13.2-178.770.40000114.8R90 H91R90-S94 WeakPolarHBondContact O-CB 3.24Å; R90-S94 PolarHBondContact O-N 3.33Å; R90-S94 PolarHBondContact O-OG 2.78Å; R90-S94 VanDerWaalsContact O-OG 3.13Å; H91-S94 PolarHBondContact O-N 2.79Å; H91-S94 PolarHBondContact O-OG 2.75Å
95C84Confident84.4Confident16 Ų1667.1 Ų67.111%0.10834%0.339CS..  trans-79.5121.8-178.6-167.60000110.9H91 C100 R107H91-C95 WeakPolarHBondContact O-CB 3.35Å; H91-C95 PolarHBondContact O-N 2.94Å; C95-C100 VanDerWaalsContact SG-CB 3.56Å; C95-C100 VanDerWaalsContact SG-SG 3.61Å; C95-R107 PolarHBondContact O-NH1 2.76Å; C95-R107 PolarHBondContact O-NH2 2.72Å
96G81.8Confident83.4Confident64 Ų6470 Ų7066%0.6635%0.354SS*.  trans-100.7-8.2168.200000113.8M98G96-M98 PolarHBondContact O-N 3.35Å
97D79.8Confident82.7Confident86 Ų8671.8 Ų71.846%0.4636%0.36SS..  trans-73.3120.8-176.7170.320.5000111.2E99 C100D97-E99 PolarHBondContact OD1-N 3.29Å; D97-C100 HydrophobicContact CB-CB 4.01Å; D97-C100 WeakPolarHBondContact O-CB 3.2Å; D97-C100 PolarHBondContact O-N 3.38Å; D97-C100 PolarHBondContact OD1-N 3.46Å; D97-C100 WeakPolarHBondContact OD2-CA 3.46Å; D97-C100 WeakPolarHBondContact OD2-CB 3.25Å; D97-C100 PolarHBondContact OD2-N 3.28Å
98M76Confident80.4Confident116 Ų11670.3 Ų70.357%0.57136%0.357SS*.SBendtrans-80.3-19.2-179.5-64.9-64-71.700113G96 S104G96-M98 PolarHBondContact O-N 3.35Å; M98-S104 WeakPolarHBondContact O-CB 3.41Å
99E75Confident77.7Confident175 Ų17575.5 Ų75.582%0.81839%0.391SS*.SBendtrans-89.9-3.9172.6-60.7-161.9144.900112.4D97 K101D97-E99 PolarHBondContact OD1-N 3.29Å; E99-K101 PolarHBondContact O-N 2.91Å
100C84Confident74.8Confident14 Ų1482 Ų8210%0.09542%0.424CS..  trans-54.6109.2-175.6179.10000112.2H91 C95 D97 V102 C103 S104H91-C100 PolarHBondContact NE2-SG 2.73Å; H91-C100 VanDerWaalsContact NE2-SG 3.4Å; C95-C100 VanDerWaalsContact SG-CB 3.56Å; C95-C100 VanDerWaalsContact SG-SG 3.61Å; D97-C100 HydrophobicContact CB-CB 4.01Å; D97-C100 WeakPolarHBondContact O-CB 3.2Å; D97-C100 PolarHBondContact O-N 3.38Å; D97-C100 PolarHBondContact OD1-N 3.46Å; D97-C100 WeakPolarHBondContact OD2-CA 3.46Å; D97-C100 WeakPolarHBondContact OD2-CB 3.25Å; D97-C100 PolarHBondContact OD2-N 3.28Å; C100-V102 PolarHBondContact O-N 3.01Å; C100-C103 HydrophobicContact CB-CB 4.24Å; C100-C103 PolarHBondContact O-N 3.42Å; C100-S104 WeakPolarHBondContact O-CB 3.3Å; C100-S104 PolarHBondContact O-N 3.46Å; C100-S104 PolarHBondContact O-OG 3.2Å; C100-S104 VanDerWaalsContact O-OG 3.05Å
101K79.3Confident72Confident114 Ų11479 Ų7950%0.49643%0.434SS..THydrogen-bonded Turntrans-47.4-23.5-178.9-76.2-96.9-170.3166.20115.9E22 M25 Q29 E99E22-K101 IonicContact OE1-NZ 2.66Å; E22-K101 PolarHBondContact OE1-NZ 2.89Å; M25-K101 HydrophobicContact CE-CB 4.11Å; M25-K101 HydrophobicContact CE-CD 3.87Å; M25-K101 HydrophobicContact CE-CG 4.1Å; M25-K101 HydrophobicContact SD-CB 3.42Å; M25-K101 WeakPolarHBondContact SD-CB 3.25Å; M25-K101 HydrophobicContact SD-CD 4.34Å; M25-K101 HydrophobicContact SD-CG 3.97Å; Q29-K101 PolarHBondContact NE2-O 3.37Å; E99-K101 PolarHBondContact O-N 2.91Å
102V82.6Confident69.1Low10 Ų1083.5 Ų83.56%0.06146%0.46CS..THydrogen-bonded Turntrans-96.6-32.9177.3178.60000112.7M25 M28 L32 C100M25-V102 HydrophobicContact CB-CG2 4.33Å; M25-V102 HydrophobicContact CG-CG2 4.1Å; M28-V102 HydrophobicContact CB-CG1 3.88Å; M28-V102 HydrophobicContact CB-CG2 4.14Å; M28-V102 HydrophobicContact CE-CG1 4.37Å; M28-V102 HydrophobicContact CE-CG2 4.32Å; L32-V102 HydrophobicContact CD2-CG1 4.18Å; C100-V102 PolarHBondContact O-N 3.01Å
103C89Confident65.8Low0 Ų086.5 Ų86.50%049%0.489CS..THydrogen-bonded Turntrans-104.4-24.4-171-60.60000114.6Y92 C100 A105 I106 R107Y92-C103 HydrophobicContact CD2-CB 4.06Å; C100-C103 HydrophobicContact CB-CB 4.24Å; C100-C103 PolarHBondContact O-N 3.42Å; C103-A105 PolarHBondContact O-N 3Å; C103-I106 PolarHBondContact O-N 3.1Å; C103-R107 WeakPolarHBondContact O-CG 3.25Å; C103-R107 PolarHBondContact O-N 3.49Å
104S80.5Confident62.9Low37 Ų3784.4 Ų84.426%0.25950%0.496SS..G310 helixtrans-62.8-40.5-173.961.30000113.1M98 C100 I106 R107M98-S104 WeakPolarHBondContact O-CB 3.41Å; C100-S104 WeakPolarHBondContact O-CB 3.3Å; C100-S104 PolarHBondContact O-N 3.46Å; C100-S104 PolarHBondContact O-OG 3.2Å; C100-S104 VanDerWaalsContact O-OG 3.05Å; S104-I106 PolarHBondContact O-N 2.9Å; S104-I106 VanDerWaalsContact O-N 3.1Å; S104-R107 PolarHBondContact O-N 2.88Å
105A69.7Low60.1Low52 Ų5286 Ų8643%0.4350%0.504SS..G310 helixtrans-55.2-29.8179.100000113.9C103C103-A105 PolarHBondContact O-N 3Å
106I70.6Confident57.5Low61 Ų6191.5 Ų91.531%0.31354%0.542SS..G310 helixtrans-103.8-2.4-175.6-56.4164.6000111.5L32 A33 L36 C103 S104L32-I106 HydrophobicContact CB-CD1 4.11Å; L32-I106 HydrophobicContact CD2-CD1 3.89Å; L32-I106 HydrophobicContact CG-CD1 3.72Å; A33-I106 HydrophobicContact CB-CD1 3.96Å; L36-I106 HydrophobicContact CD1-CD1 4.4Å; L36-I106 HydrophobicContact CD1-CG2 3.71Å; C103-I106 PolarHBondContact O-N 3.1Å; S104-I106 PolarHBondContact O-N 2.9Å; S104-I106 VanDerWaalsContact O-N 3.1Å
107R75.4Confident54.8Low68 Ų6894.1 Ų94.126%0.25755%0.55SS.*  trans-109.912.8-175.4-76-175.7168.6-152.97.8115.1Y92 C95 C103 S104Y92-R107 HydrophobicContact CE2-CG 3.92Å; Y92-R107 PolarHBondContact O-NH2 3.11Å; C95-R107 PolarHBondContact O-NH1 2.76Å; C95-R107 PolarHBondContact O-NH2 2.72Å; C103-R107 WeakPolarHBondContact O-CG 3.25Å; C103-R107 PolarHBondContact O-N 3.49Å; S104-R107 PolarHBondContact O-N 2.88Å
108K39.8Very low52.5Low133 Ų13394.9 Ų94.958%0.57857%0.569SS**PPolyproline II helixtrans-59.6131175.4-69.3-177179.9175.50110.4E1098K108-E1098 IonicContact NZ-OE1 3.07Å; K108-E1098 PolarHBondContact NZ-OE1 2.95Å
109P32Very low50.3Low116 Ų11694.6 Ų94.675%0.75358%0.578SS**PPolyproline II helixtrans-70.8140.8-177.4-17.331.1000112.5
110I27.8Very low48Very low154 Ų15491.4 Ų91.479%0.7958%0.575SS**PPolyproline II helixtrans-77.5121.9165.9-63.9174.1000108
111G27.4Very low45.5Very low69 Ų6997.2 Ų97.271%0.71161%0.61SS**PPolyproline II helixtrans-73.3129.4167.600000110.1
112N28.4Very low43Very low151 Ų15196.5 Ų96.581%0.80762%0.619SS**PPolyproline II helixtrans-67.7137.4-168.5-71.6-23.9000114
113S22.5Very low40.3Very low114 Ų114101.7 Ų101.780%0.79766%0.655SS**PPolyproline II helixtrans-100124.9153.255.90000109.7
114T29.1Very low37.8Very low130 Ų130106.5 Ų106.580%0.79869%0.686SS**  trans-110.5114.6172.346.70000110.3
115P27.1Very low35.3Very low127 Ų127112.8 Ų112.883%0.82571%0.711SS**  trans-85.6129.5175.533-31.3000110.8
116S29.1Very low33.6Very low130 Ų130117.8 Ų117.891%0.90973%0.731SS**  trans-158.2133.4157.7-147.90000110
117S26.1Very low31.6Very low119 Ų119118.2 Ų118.283%0.83275%0.75SS**  trans-121.2108.9-172.356.10000111.5
118A30.7Very low29.3Very low103 Ų103123.1 Ų123.185%0.85178%0.781SS**  trans-156.8145.2160.400000110.3
119S30.8Very low28.9Very low110 Ų110122.9 Ų122.977%0.76979%0.79SS**  trans-70.4156.3-173.7-47.40000114.3
120S26.6Very low28.8Very low108 Ų108122.1 Ų122.176%0.75579%0.788SS**  trans46.3130.9143.160.60000119.3
121V31.2Very low28.8Very low135 Ų135121.4 Ų121.482%0.81879%0.786SS**  cis-144.7165.843.1170.90000111.2
122S27.3Very low28.8Very low99 Ų99125.5 Ų125.569%0.69279%0.786SS**  trans-65.9133-177.651.90000116.7
123C25.9Very low28.7Very low119 Ų119126.7 Ų126.780%0.80478%0.784SS**  41.9156.6120.5-71.30000123
124P35.2Very low29.1Very low101 Ų101126.4 Ų126.466%0.65678%0.782SS**  cis-147.8178.1-24.938.8-19.3000118
125Q29Very low29.1Very low169 Ų169126.5 Ų126.579%0.7978%0.778SS**  trans97.9145.9135-96.9166.418.500123.7
126N32.6Very low29Very low157 Ų157127.3 Ų127.384%0.8477%0.774SS**  trans71.2125.4171.5-55.7-24.1000118.3
127G29.5Very low28.7Very low70 Ų70125.6 Ų125.672%0.72276%0.762SS**  cis170.5150.6-13.200000116.4
128L26.6Very low28.7Very low171 Ų171125.3 Ų125.390%0.89576%0.759SS**  trans75.8144.6153.3-63.7165.6000123.5
129T31.9Very low28.4Very low128 Ų128127.1 Ų127.179%0.78575%0.754SS**  trans91.386.9158.163.80000124.1
130S29.7Very low28.1Very low100 Ų100129.3 Ų129.370%0.69976%0.757SS**  52128.5120.465.30000126.4
131N28.5Very low28Very low139 Ų139127.3 Ų127.374%0.74375%0.754SS**  92.8105.8128.7-73.5-4.7000125.2
132H27.4Very low27.7Very low156 Ų156128.4 Ų128.472%0.72275%0.753SS**  77.8124.4121.8-83.5-40.7000125.9
133K26.8Very low27.5Very low176 Ų176131.8 Ų131.877%0.76576%0.756SS**  trans80116.4132.1-75.2-177.7176.8-176.60122.6
134S30.6Very low27.4Very low108 Ų108132.7 Ų132.776%0.75575%0.751SS**  171.6160.1127.535.20000109.4
135D28.7Very low26.9Very low132 Ų132132.1 Ų132.171%0.70675%0.75SS**  cis-160.8158.1-34-103.3-33.4000111.7
136I24Very low26.7Very low144 Ų144131.4 Ų131.474%0.73875%0.751SS**  trans29.7143.2134.4-57.4167.8000120.2
137S24.7Very low26.8Very low94 Ų94129.2 Ų129.266%0.65775%0.748SS**  cis179.2159.7-20.8-830000110.1
138S25.3Very low27Very low112 Ų112132 Ų13278%0.78375%0.754SS**  trans67.1167.2151.1-65.70000120.4
139L23.7Very low27.7Very low141 Ų141131.7 Ų131.774%0.73875%0.752SS**  -175.6137.2-52.3-112160.3000110.8
140N25.8Very low27.9Very low157 Ų157130.7 Ų130.784%0.8475%0.747SS**  trans71.2128.9158.5-66.6-28.4000122.9
141G23.2Very low28Very low66 Ų66134.2 Ų134.268%0.6875%0.753SS**  trans175.797.9157.900000116.5
142I24.4Very low28.8Very low158 Ų158134.9 Ų134.981%0.8175%0.751SS**  40.7131.6125.6-67.7171.5000118.8
143K23.7Very low30.4Very low170 Ų170135.5 Ų135.574%0.73975%0.752SS**  cis-172.1154.70.8-111.8-177.5-174.6-179.90111.9
144I24.1Very low31.3Very low137 Ų137133.3 Ų133.370%0.70375%0.754SS**  trans70126142.7-68.9176.4000121.6
145S24.8Very low32.6Very low90 Ų90132 Ų13263%0.62975%0.749SS**  trans27.6143153.1690000122.5
146D25.7Very low33.4Very low154 Ų154135.5 Ų135.582%0.82476%0.759SS**  cis-162-177.9-7.1-110.9-46000110.5
147S34.8Very low33.8Very low110 Ų110135 Ų13577%0.76976%0.762SS**  trans-33.6147177.7-64.30000117.1
148P33.6Very low34.3Very low130 Ų130137.4 Ų137.484%0.84477%0.773SS**  cis-144.4-171.142.440.3-19.3000118.2
149L40.7Very low34.6Very low163 Ų163135 Ų13585%0.85377%0.766SS**  trans-73.2174.7175.1-60.1165.7000112.4
150P36.3Very low35.2Very low107 Ų107133.8 Ų133.870%0.69577%0.767SS**  cis-150.8-149.927.142.5-17.3000117.2
151H30.6Very low35.7Very low175 Ų175131 Ų13181%0.8176%0.758SS**  trans99.6162.2163.9-70.5-68.1000123
152Q45.9Very low36.6Very low153 Ų153135.7 Ų135.772%0.71576%0.763SS**  trans-152.3-175.5169.9-56-173.11.700106.8
153K61.1Low37.8Very low168 Ų168133 Ų13373%0.7376%0.758SS**  cis-170169.512.6-150.4169.3-168.2134.40111.8
154T46.2Very low39.1Very low131 Ų131133.5 Ų133.580%0.80476%0.763SS**  trans73.3163156.7-12.60000120
155A56.7Low40.1Very low81 Ų81131.3 Ų131.367%0.66976%0.758SS**  trans-169.5175.9179.700000111.1
156F46.4Very low40.9Very low205 Ų205132.3 Ų132.390%0.89976%0.76SS**  trans144.8167.3154.3-83.1-65000114.5
157T31.5Very low41.4Very low132 Ų132132.5 Ų132.581%0.8176%0.76SS**SBendtrans-124.484.3-176.7-490000113.8
158T35.2Very low41.2Very low145 Ų145132.2 Ų132.289%0.8975%0.754SS**SBendtrans-175.7124.6133.324.70000106.8
159G32.9Very low40.9Very low62 Ų62132.7 Ų132.764%0.63975%0.749SS**SBendtrans80.8158.6-152.200000111.7
160P35.5Very low40.5Very low115 Ų115132.1 Ų132.175%0.74775%0.746SS**  trans-139.3-175.8-140.542.8-24.6000116.1
161C35.8Very low40.1Very low98 Ų98129.8 Ų129.866%0.66274%0.742SS**  trans65.1179.5150.8-69.70000119.5
162E44Very low40Very low165 Ų165129.7 Ų129.777%0.77174%0.742SS**  trans48.1112.4137.8-77.6145.4-134.100119.4
163S48.8Very low39.1Very low103 Ų103130.9 Ų130.972%0.7275%0.745SS**  92.7142.998.192.20000111.7
164Q50Low37.4Very low179 Ų179130.8 Ų130.884%0.83675%0.753SS**  73.8169.372.1-117.5-152.931.900112.5
165P46.4Very low36.5Very low92 Ų92135.7 Ų135.760%0.59776%0.756SS**  -134.2-165.7-101.842.3-25.1000116.7
166T42Very low35.2Very low111 Ų111138.5 Ų138.568%0.68177%0.765SS**  trans87.9116.9136.2-74.40000121.6
167L34.5Very low34.5Very low157 Ų157132.7 Ų132.782%0.82275%0.748SS**  trans67.4175.4148.6-61.9174000118.8
168V30.7Very low34.2Very low105 Ų105134.4 Ų134.464%0.63675%0.751SS**  cis-155.9154.55.589.30000112.8
169L28.1Very low33.8Very low140 Ų140135.1 Ų135.173%0.73374%0.744SS**  trans54.1178.1163.5-86.462.4000117.7
170N31.2Very low33.6Very low150 Ų150140 Ų14080%0.80275%0.75SS**  cis-154.3162.6-45.2-1055.6000106.7
171G29.6Very low33.7Very low59 Ų59137.7 Ų137.761%0.60874%0.737SS**  cis170.6171.4-2.500000110.6
172E27Very low34.8Very low172 Ų172143.2 Ų143.280%0.80474%0.744SS**  trans62.8145.5163.3-49.6-174.8138.900118.2
173F28.2Very low36.1Very low179 Ų179136.4 Ų136.479%0.78571%0.712SS**  cis-121.21420.8-75.9-103000111.1
174N25.2Very low37.5Very low166 Ų166134.4 Ų134.489%0.88870%0.696SS**  trans-160.4151.3148.3-119.8-60.7000112.4
175R27.8Very low38.8Very low234 Ų234131 Ų13188%0.88368%0.684SS**PPolyproline II helixtrans-74.9148.2-179.1-70.7177.5172.7171.3-3.2111.4
176V27.9Very low40.2Very low139 Ų139131.8 Ų131.884%0.84268%0.679SS**PPolyproline II helixtrans-66.1132-179.1-179.70000111.2
177P31.4Very low42Very low84 Ų84127.4 Ų127.455%0.54565%0.651SS.*PPolyproline II helixtrans-94.4160.3178.537-34.9000113.5
178L25.8Very low44.6Very low168 Ų168122.1 Ų122.188%0.8862%0.62SS**  trans-128.9145.2166.6-76.5171.6000111.1
179H27.5Very low47.1Very low159 Ų159121.9 Ų121.974%0.73661%0.612SS**SBendtrans38.598.9174.9-89.9-83.8000120.5
180E27.7Very low49.5Very low164 Ų164118.6 Ų118.677%0.76660%0.595SS**SBend59.864106.7-157168.6-129.700119.6
181S39Very low52Low68 Ų68112.3 Ų112.348%0.47656%0.564SS.*  trans-173.475.4132.748.50000110.9T238S181-T238 PolarHBondContact O-OG1 2.96Å
182R59.1Low54.7Low213 Ų213111.1 Ų111.180%0.80454%0.543SS*.PPolyproline II helixtrans-84.6125178.2-77.1-168.4174.1-168.1-2.1111.8
183I69.8Low57.3Low22 Ų22108.9 Ų108.911%0.11353%0.53CS..PPolyproline II helixtrans-60139.6166.7-81.3157.9000110.4Q187 R188 F232 T238 Y241 F242I183-Q187 VanDerWaalsContact CA-OE1 3.24Å; I183-Q187 VanDerWaalsContact CG1-OE1 3.31Å; I183-Q187 HydrophobicContact CG2-CB 4.09Å; I183-R188 HydrophobicContact CG2-CG 3.39Å; I183-F232 HydrophobicContact CB-CE2 4.11Å; I183-F232 HydrophobicContact CG2-CD2 4.26Å; I183-F232 HydrophobicContact CG2-CE2 3.95Å; I183-T238 HydrophobicContact CD1-CG2 4.31Å; I183-T238 HydrophobicContact CG1-CG2 3.84Å; I183-Y241 HydrophobicContact CD1-CD1 3.4Å; I183-Y241 VanDerWaalsContact CD1-CD1 3.4Å; I183-Y241 HydrophobicContact CD1-CD2 4.25Å; I183-Y241 HydrophobicContact CD1-CE1 4.26Å; I183-Y241 HydrophobicContact CD1-CG 3.4Å; I183-Y241 HydrophobicContact CG1-CD1 4.44Å; I183-F242 HydrophobicContact CG1-CE2 4.33Å
184T79.2Confident59.9Low61 Ų61105.7 Ų105.737%0.37452%0.516SS..PPolyproline II helixtrans-89.7150.7175.864.10000110.9Q186 Q187 R188T184-Q186 PolarHBondContact O-N 3.29Å; T184-Q186 VanDerWaalsContact O-N 3.14Å; T184-Q187 WeakPolarHBondContact O-CA 3.38Å; T184-Q187 VanDerWaalsContact O-CB 3.29Å; T184-Q187 WeakPolarHBondContact O-CB 3.32Å; T184-Q187 PolarHBondContact O-N 3.4Å; T184-Q187 WeakPolarHBondContact OG1-CG 3.46Å; T184-Q187 PolarHBondContact OG1-N 3.43Å; T184-Q187 VanDerWaalsContact OG1-N 3.11Å; T184-R188 PolarHBondContact O-N 3.43Å; T184-R188 VanDerWaalsContact O-N 3.07Å
185D76.3Confident62.9Low109 Ų10998.2 Ų98.258%0.58348%0.476SS*.Hα-helixtrans-61.1-25.1174.3-65.8-59.5000112.5R188 E189D185-R188 PolarHBondContact O-N 3.2Å; D185-R188 IonicContact OD1-CZ 3.4Å; D185-R188 IonicContact OD1-NH1 2.87Å; D185-R188 PolarHBondContact OD1-NH1 2.7Å; D185-E189 WeakPolarHBondContact O-CB 3.23Å; D185-E189 PolarHBondContact O-N 3.24Å
186Q75.7Confident65.6Low108 Ų10887.6 Ų87.651%0.50544%0.437SS..Hα-helixtrans-67.7-38.3170.8-119.1-173.516.100113M49 T184 L190M49-Q186 HydrophobicContact CE-CB 3.77Å; M49-Q186 HydrophobicContact CE-CG 3.56Å; T184-Q186 PolarHBondContact O-N 3.29Å; T184-Q186 VanDerWaalsContact O-N 3.14Å; Q186-L190 WeakPolarHBondContact O-CB 3.38Å; Q186-L190 PolarHBondContact O-N 2.92Å
187Q79.5Confident68.1Low19 Ų1985 Ų859%0.08942%0.418CS..Hα-helixtrans-61.7-44.6170.2-85.8176.1-3.700111.3G48 I183 T184 L190 A191 F242G48-Q187 VanDerWaalsContact O-CD 3.25Å; G48-Q187 WeakPolarHBondContact O-CG 3.46Å; G48-Q187 PolarHBondContact O-NE2 3.15Å; I183-Q187 VanDerWaalsContact CA-OE1 3.24Å; I183-Q187 VanDerWaalsContact CG1-OE1 3.31Å; I183-Q187 HydrophobicContact CG2-CB 4.09Å; T184-Q187 WeakPolarHBondContact O-CA 3.38Å; T184-Q187 VanDerWaalsContact O-CB 3.29Å; T184-Q187 WeakPolarHBondContact O-CB 3.32Å; T184-Q187 PolarHBondContact O-N 3.4Å; T184-Q187 WeakPolarHBondContact OG1-CG 3.46Å; T184-Q187 PolarHBondContact OG1-N 3.43Å; T184-Q187 VanDerWaalsContact OG1-N 3.11Å; Q187-L190 PolarHBondContact O-N 2.79Å; Q187-A191 WeakPolarHBondContact O-CB 3.18Å; Q187-A191 PolarHBondContact O-N 3.02Å; Q187-F242 HydrophobicContact CB-CZ 3.97Å; Q187-F242 HydrophobicContact CG-CZ 4.08Å
188R89.4Confident70.3Confident46 Ų4683.1 Ų83.117%0.17440%0.404CS..Hα-helixtrans-61.6-51.2179.4-62.6174.161.3-145-4.2111.5I183 T184 D185 L190 A191 M192 E228 F232 Y241I183-R188 HydrophobicContact CG2-CG 3.39Å; T184-R188 PolarHBondContact O-N 3.43Å; T184-R188 VanDerWaalsContact O-N 3.07Å; D185-R188 PolarHBondContact O-N 3.2Å; D185-R188 IonicContact OD1-CZ 3.4Å; D185-R188 IonicContact OD1-NH1 2.87Å; D185-R188 PolarHBondContact OD1-NH1 2.7Å; R188-L190 VanDerWaalsContact C-N 3.3Å; R188-L190 PolarHBondContact O-N 2.72Å; R188-A191 PolarHBondContact O-N 3.42Å; R188-M192 WeakPolarHBondContact O-CB 3.5Å; R188-M192 PolarHBondContact O-N 3.14Å; R188-E228 WeakPolarHBondContact CB-OE1 3.29Å; R188-E228 WeakPolarHBondContact CG-OE1 3.47Å; R188-E228 IonicContact CZ-OE1 2.67Å; R188-E228 IonicContact CZ-OE2 3.7Å; R188-E228 IonicContact NE-OE1 3.34Å; R188-E228 PolarHBondContact NE-OE1 3.38Å; R188-E228 IonicContact NE-OE2 2.81Å; R188-E228 IonicContact NH2-OE1 3.81Å; R188-E228 PolarHBondContact NH2-OE1 2.85Å; R188-E228 IonicContact NH2-OE2 3.35Å; R188-E228 PolarHBondContact NH2-OE2 2.91Å; R188-F232 HydrophobicContact CG-CD2 4.26Å; R188-F232 HydrophobicContact CG-CE2 4.46Å; R188-Y241 WeakPolarHBondContact CA-OH 3.48Å
189E83.6Confident72.9Confident100 Ų10075.1 Ų75.147%0.46736%0.362SS..Hα-helixtrans-62.7-37179.2-158.5-160.1145.300111.9D185 K193D185-E189 WeakPolarHBondContact O-CB 3.23Å; D185-E189 PolarHBondContact O-N 3.24Å; E189-K193 HydrophobicContact CG-CD 4.46Å; E189-K193 VanDerWaalsContact O-CB 3.26Å; E189-K193 WeakPolarHBondContact O-CB 3.44Å; E189-K193 WeakPolarHBondContact O-CG 3.5Å; E189-K193 PolarHBondContact O-N 3.14Å; E189-K193 VanDerWaalsContact OE1-CE 3.25Å; E189-K193 WeakPolarHBondContact OE1-CE 3.4Å; E189-K193 IonicContact OE1-NZ 2.63Å; E189-K193 PolarHBondContact OE1-NZ 2.93Å
190L78.6Confident75.3Confident70 Ų7068.1 Ų68.137%0.36633%0.331SS..Hα-helixtrans-69-42.9175.7-162.585.8000112.1L44 M49 Q186 Q187 R188 K193 K194L44-L190 HydrophobicContact CD2-CD2 4.26Å; M49-L190 HydrophobicContact CB-CD2 4.12Å; M49-L190 HydrophobicContact CE-CB 4.26Å; M49-L190 HydrophobicContact CE-CD1 4.21Å; M49-L190 HydrophobicContact CG-CD2 4.28Å; M49-L190 HydrophobicContact SD-CD1 4.17Å; M49-L190 HydrophobicContact SD-CD2 3.82Å; M49-L190 HydrophobicContact SD-CG 4.4Å; Q186-L190 WeakPolarHBondContact O-CB 3.38Å; Q186-L190 PolarHBondContact O-N 2.92Å; Q187-L190 PolarHBondContact O-N 2.79Å; R188-L190 VanDerWaalsContact C-N 3.3Å; R188-L190 PolarHBondContact O-N 2.72Å; L190-K193 PolarHBondContact O-N 2.82Å; L190-K194 WeakPolarHBondContact O-CB 3.44Å; L190-K194 PolarHBondContact O-N 3.27Å
191A83Confident77.3Confident18 Ų1864.8 Ų64.815%0.14932%0.318CS..Hα-helixtrans-60-48.3175.300000110.8Q187 R188 K194 F195 Y241 F242Q187-A191 WeakPolarHBondContact O-CB 3.18Å; Q187-A191 PolarHBondContact O-N 3.02Å; R188-A191 PolarHBondContact O-N 3.42Å; A191-K194 PolarHBondContact O-N 3.3Å; A191-F195 WeakPolarHBondContact O-CB 3.14Å; A191-F195 PolarHBondContact O-N 3.27Å; A191-Y241 HydrophobicContact CB-CE1 4.25Å; A191-F242 HydrophobicContact CB-CE1 4.01Å
192M86.9Confident78.8Confident34 Ų3462.5 Ų62.517%0.16730%0.302CS..Hα-helixtrans-64.6-42.5179.2-151.7-169.885.300111.8R188 F195 V196 V224 K225 E228R188-M192 WeakPolarHBondContact O-CB 3.5Å; R188-M192 PolarHBondContact O-N 3.14Å; M192-F195 PolarHBondContact O-N 2.69Å; M192-V196 WeakPolarHBondContact O-CB 3.29Å; M192-V196 VanDerWaalsContact O-CG2 3.28Å; M192-V196 WeakPolarHBondContact O-CG2 3.44Å; M192-V196 PolarHBondContact O-N 3.24Å; M192-V224 HydrophobicContact CG-CG1 3.59Å; M192-V224 HydrophobicContact SD-CG1 4.39Å; M192-K225 HydrophobicContact CE-CG 3.76Å; M192-K225 HydrophobicContact SD-CB 4.39Å; M192-K225 HydrophobicContact SD-CG 3.73Å; M192-E228 HydrophobicContact CB-CG 4.47Å; M192-E228 HydrophobicContact CG-CB 4.32Å; M192-E228 HydrophobicContact CG-CG 4.29Å; M192-E228 HydrophobicContact SD-CB 4.38Å; M192-E228 HydrophobicContact SD-CG 4.49Å
193K82.3Confident79.4Confident125 Ų12552.4 Ų52.454%0.54326%0.264SS..Hα-helixtrans-61.3-43.9173.2-86.9173.3167.7165.80112.2E189 L190 V196 N197E189-K193 HydrophobicContact CG-CD 4.46Å; E189-K193 VanDerWaalsContact O-CB 3.26Å; E189-K193 WeakPolarHBondContact O-CB 3.44Å; E189-K193 WeakPolarHBondContact O-CG 3.5Å; E189-K193 PolarHBondContact O-N 3.14Å; E189-K193 VanDerWaalsContact OE1-CE 3.25Å; E189-K193 WeakPolarHBondContact OE1-CE 3.4Å; E189-K193 IonicContact OE1-NZ 2.63Å; E189-K193 PolarHBondContact OE1-NZ 2.93Å; L190-K193 PolarHBondContact O-N 2.82Å; K193-V196 PolarHBondContact O-N 2.86Å; K193-N197 WeakPolarHBondContact O-CB 3.48Å; K193-N197 PolarHBondContact O-N 3.34Å
194K81.8Confident78.9Confident112 Ų11252 Ų5249%0.48726%0.261SS..Hα-helixtrans-62.8-49177.6-172.6-175.5175.4-164.20111L190 A191 V196 N197 D198L190-K194 WeakPolarHBondContact O-CB 3.44Å; L190-K194 PolarHBondContact O-N 3.27Å; A191-K194 PolarHBondContact O-N 3.3Å; K194-V196 VanDerWaalsContact C-N 3.33Å; K194-V196 PolarHBondContact O-N 2.84Å; K194-N197 PolarHBondContact O-N 3Å; K194-N197 VanDerWaalsContact O-N 3.14Å; K194-D198 WeakPolarHBondContact CE-OD2 3.24Å; K194-D198 WeakPolarHBondContact CG-OD2 3.43Å; K194-D198 WeakPolarHBondContact O-CB 3.45Å; K194-D198 VanDerWaalsContact O-CG 3.29Å; K194-D198 PolarHBondContact O-N 3.38Å
195F87.9Confident77.4Confident9 Ų953.8 Ų53.84%0.03927%0.274CS..Hα-helixtrans-52.5-50176.3-168.8-70.9000111.7A191 M192 I199 F220 V224 M227 M245 H248 Y249 I252A191-F195 WeakPolarHBondContact O-CB 3.14Å; A191-F195 PolarHBondContact O-N 3.27Å; M192-F195 PolarHBondContact O-N 2.69Å; F195-I199 HydrophobicContact CD1-CG1 4.19Å; F195-I199 HydrophobicContact CE1-CG1 4.15Å; F195-I199 WeakPolarHBondContact O-CB 3.49Å; F195-I199 VanDerWaalsContact O-CG1 3.32Å; F195-I199 WeakPolarHBondContact O-CG1 3.27Å; F195-I199 PolarHBondContact O-N 3.47Å; F195-I199 VanDerWaalsContact O-N 3.09Å; F195-F220 HydrophobicContact CE1-CZ 4.32Å; F195-V224 HydrophobicContact CD1-CG1 4.08Å; F195-V224 HydrophobicContact CD1-CG2 4.05Å; F195-V224 HydrophobicContact CE1-CG1 4.48Å; F195-V224 HydrophobicContact CE1-CG2 3.84Å; F195-M227 HydrophobicContact CE1-CE 4.48Å; F195-M227 HydrophobicContact CE2-CE 4.19Å; F195-M227 HydrophobicContact CE2-SD 4.41Å; F195-M227 HydrophobicContact CZ-CE 4.07Å; F195-M227 HydrophobicContact CZ-SD 4.08Å; F195-M245 HydrophobicContact CD2-CE 3.36Å; F195-M245 HydrophobicContact CD2-SD 4.41Å; F195-M245 HydrophobicContact CE2-CE 3.29Å; F195-M245 HydrophobicContact CG-CE 4.36Å; F195-M245 HydrophobicContact CZ-CE 4.25Å; F195-H248 HydrophobicContact CE2-CB 3.99Å; F195-H248 HydrophobicContact CZ-CB 4.3Å; F195-Y249 VanDerWaalsContact CE2-CA 3.43Å; F195-Y249 VanDerWaalsContact CE2-N 3.28Å; F195-I252 HydrophobicContact CE1-CD1 4.18Å; F195-I252 HydrophobicContact CZ-CD1 3.92Å
196V84.8Confident75.8Confident11 Ų1154 Ų547%0.06728%0.279CS..Hα-helixtrans-62-44.5178.1168.20000111.6M192 K193 K194 S200 Y212 L221 V224M192-V196 WeakPolarHBondContact O-CB 3.29Å; M192-V196 VanDerWaalsContact O-CG2 3.28Å; M192-V196 WeakPolarHBondContact O-CG2 3.44Å; M192-V196 PolarHBondContact O-N 3.24Å; K193-V196 PolarHBondContact O-N 2.86Å; K194-V196 VanDerWaalsContact C-N 3.33Å; K194-V196 PolarHBondContact O-N 2.84Å; V196-S200 WeakPolarHBondContact O-CB 3.43Å; V196-S200 PolarHBondContact O-N 3.29Å; V196-Y212 HydrophobicContact CG1-CE1 4.29Å; V196-L221 HydrophobicContact CB-CD2 4.41Å; V196-L221 HydrophobicContact CG1-CD2 3.76Å; V196-L221 HydrophobicContact CG2-CD2 3.73Å; V196-V224 HydrophobicContact CG2-CG1 4.07Å
197N79.9Confident74.5Confident84 Ų8453 Ų5345%0.44929%0.29SS..Hα-helixtrans-69.8-42.7-175.9-141.540.1000111.8K193 K194 S200 L201K193-N197 WeakPolarHBondContact O-CB 3.48Å; K193-N197 PolarHBondContact O-N 3.34Å; K194-N197 PolarHBondContact O-N 3Å; K194-N197 VanDerWaalsContact O-N 3.14Å; N197-S200 PolarHBondContact O-N 2.58Å; N197-L201 WeakPolarHBondContact O-CG 3.38Å; N197-L201 PolarHBondContact O-N 3.27Å
198D78.6Confident73.3Confident45 Ų4554.9 Ų54.924%0.24130%0.3CS..Hα-helixtrans-68.5-36.2-179.6-65.5-7.9000111.3K194 S202 Y249K194-D198 WeakPolarHBondContact CE-OD2 3.24Å; K194-D198 WeakPolarHBondContact CG-OD2 3.43Å; K194-D198 WeakPolarHBondContact O-CB 3.45Å; K194-D198 VanDerWaalsContact O-CG 3.29Å; K194-D198 PolarHBondContact O-N 3.38Å; D198-S202 PolarHBondContact O-N 3.19Å; D198-S202 PolarHBondContact O-OG 3.05Å; D198-Y249 HydrophobicContact CB-CD2 4.4Å; D198-Y249 HydrophobicContact CB-CE2 3.5Å
199I81.2Confident71.7Confident0 Ų057.9 Ų57.90%033%0.326CS..Hα-helixtrans-72.9-37.5170.5-62.8-64.8000111.8F195 L201 S202 I203 F220 Y249 I252 H253 L256F195-I199 HydrophobicContact CD1-CG1 4.19Å; F195-I199 HydrophobicContact CE1-CG1 4.15Å; F195-I199 WeakPolarHBondContact O-CB 3.49Å; F195-I199 VanDerWaalsContact O-CG1 3.32Å; F195-I199 WeakPolarHBondContact O-CG1 3.27Å; F195-I199 PolarHBondContact O-N 3.47Å; F195-I199 VanDerWaalsContact O-N 3.09Å; I199-L201 PolarHBondContact O-N 3.43Å; I199-S202 CarbonylContact O-C 3.56Å; I199-S202 WeakPolarHBondContact O-CA 3.21Å; I199-S202 VanDerWaalsContact O-CB 3.23Å; I199-S202 WeakPolarHBondContact O-CB 3.26Å; I199-S202 PolarHBondContact O-N 3.15Å; I199-I203 HydrophobicContact CG2-CD1 4.02Å; I199-I203 HydrophobicContact CG2-CG1 4.47Å; I199-I203 WeakPolarHBondContact O-CG1 3.41Å; I199-I203 PolarHBondContact O-N 3.29Å; I199-F220 HydrophobicContact CB-CE1 4.44Å; I199-F220 HydrophobicContact CB-CZ 3.98Å; I199-F220 HydrophobicContact CG1-CZ 4.33Å; I199-F220 HydrophobicContact CG2-CE1 4.15Å; I199-F220 HydrophobicContact CG2-CE2 4.06Å; I199-F220 HydrophobicContact CG2-CZ 3.51Å; I199-Y249 HydrophobicContact CD1-CD2 3.78Å; I199-Y249 HydrophobicContact CD1-CE2 3.77Å; I199-Y249 HydrophobicContact CG1-CD2 3.96Å; I199-Y249 HydrophobicContact CG1-CE2 4.08Å; I199-I252 HydrophobicContact CD1-CB 4.22Å; I199-I252 HydrophobicContact CD1-CG2 3.96Å; I199-H253 HydrophobicContact CD1-CB 3.98Å; I199-L256 HydrophobicContact CD1-CD1 4.43Å; I199-L256 HydrophobicContact CG2-CD1 3.87Å
200S77.1Confident70.6Confident13 Ų1357.2 Ų57.29%0.09133%0.328CS..Hα-helixtrans-61.5-43.4177.8-172.70000111.9V196 N197 S202 I203 F204V196-S200 WeakPolarHBondContact O-CB 3.43Å; V196-S200 PolarHBondContact O-N 3.29Å; N197-S200 PolarHBondContact O-N 2.58Å; S200-S202 PolarHBondContact O-N 3.16Å; S200-I203 PolarHBondContact O-N 3.46Å; S200-I203 VanDerWaalsContact O-N 3.1Å; S200-F204 PolarHBondContact O-N 3.21Å
201L69.8Low69.5Low93 Ų9354.1 Ų54.149%0.48731%0.313SS..Hα-helixtrans-65.5-23.3170.5-69.3170000113.2N197 I199N197-L201 WeakPolarHBondContact O-CG 3.38Å; N197-L201 PolarHBondContact O-N 3.27Å; I199-L201 PolarHBondContact O-N 3.43Å
202S71.2Confident68.7Low20 Ų2058.5 Ų58.514%0.1433%0.327CS..Hα-helixtrans-77.7-23.3173.1-55.60000112.5D198 I199 S200 H253 R260D198-S202 PolarHBondContact O-N 3.19Å; D198-S202 PolarHBondContact O-OG 3.05Å; I199-S202 CarbonylContact O-C 3.56Å; I199-S202 WeakPolarHBondContact O-CA 3.21Å; I199-S202 VanDerWaalsContact O-CB 3.23Å; I199-S202 WeakPolarHBondContact O-CB 3.26Å; I199-S202 PolarHBondContact O-N 3.15Å; S200-S202 PolarHBondContact O-N 3.16Å; S202-H253 PolarHBondContact OG-CD2 3.27Å; S202-R260 PolarHBondContact O-NH2 2.9Å
203I71.3Confident67.6Low2 Ų261.5 Ų61.51%0.0135%0.351CS..Hα-helixtrans-89.2-42.3175.3-62.4165.6000110.6I199 S200 L256 Q302 A306I199-I203 HydrophobicContact CG2-CD1 4.02Å; I199-I203 HydrophobicContact CG2-CG1 4.47Å; I199-I203 WeakPolarHBondContact O-CG1 3.41Å; I199-I203 PolarHBondContact O-N 3.29Å; S200-I203 PolarHBondContact O-N 3.46Å; S200-I203 VanDerWaalsContact O-N 3.1Å; I203-L256 HydrophobicContact CG1-CD1 4.27Å; I203-Q302 HydrophobicContact CG2-CB 4.14Å; I203-Q302 PolarHBondContact O-NE2 3.41Å; I203-Q302 PolarHBondContact O-OE1 3.25Å; I203-A306 HydrophobicContact CD1-CB 3.7Å; I203-A306 HydrophobicContact CG1-CB 4.35Å
204F58.6Low66.9Low14 Ų1457.4 Ų57.46%0.06134%0.335CS..  trans-116.4116-176.9-63.7-81.1000112.2S200 T206 A211 M217 D299 F303S200-F204 PolarHBondContact O-N 3.21Å; F204-T206 WeakPolarHBondContact CB-O 3.4Å; F204-T206 PolarHBondContact O-N 3.41Å; F204-T206 VanDerWaalsContact O-N 3.12Å; F204-A211 HydrophobicContact CD2-CB 4.1Å; F204-A211 HydrophobicContact CE1-CB 4.32Å; F204-A211 HydrophobicContact CE2-CB 3.56Å; F204-A211 HydrophobicContact CZ-CB 3.68Å; F204-M217 HydrophobicContact CE2-CE 4.47Å; F204-D299 HydrophobicContact CE1-CB 4.02Å; F204-F303 HydrophobicContact CE2-CD2 4.05Å; F204-F303 AromaticContact CE2-CE2 3.6Å; F204-F303 HydrophobicContact CE2-CE2 3.6Å; F204-F303 HydrophobicContact CE2-CZ 4.35Å; F204-F303 AromaticContact CZ-CD2 3.71Å; F204-F303 HydrophobicContact CZ-CD2 3.71Å; F204-F303 AromaticContact CZ-CE2 3.59Å; F204-F303 HydrophobicContact CZ-CE2 3.59Å
205P46.9Very low66.4Low98 Ų9856.9 Ų56.964%0.63634%0.343SS*.SBendtrans-61.8-19.6178.8-24.634.7000115
206T43.9Very low65.6Low112 Ų11259.2 Ų59.269%0.68735%0.352SS*.SBendtrans-132141.8172.353.20000109.3F204 N208F204-T206 WeakPolarHBondContact CB-O 3.4Å; F204-T206 PolarHBondContact O-N 3.41Å; F204-T206 VanDerWaalsContact O-N 3.12Å; T206-N208 PolarHBondContact O-N 3.37Å
207A49.2Very low65.4Low89 Ų8958.7 Ų58.774%0.73635%0.349SS*.  trans-6896.1-177.200000111.2P209A207-P209 WeakPolarHBondContact O-CD 3.43Å
208N53Low65.2Low57 Ų5761.4 Ų61.431%0.30536%0.356SS..  trans-87.9113.1179-176.22.7000110.7T206 T210 A211T206-N208 PolarHBondContact O-N 3.37Å; N208-T210 PolarHBondContact ND2-OG1 2.91Å; N208-T210 PolarHBondContact O-N 2.95Å; N208-T210 PolarHBondContact OD1-N 3.32Å; N208-T210 PolarHBondContact OD1-OG1 3.43Å; N208-T210 VanDerWaalsContact OD1-OG1 3.06Å; N208-A211 WeakPolarHBondContact O-CB 3.35Å; N208-A211 PolarHBondContact O-N 3.48Å; N208-A211 VanDerWaalsContact O-N 3.14Å
209P55.5Low65.1Low109 Ų10964.7 Ų64.771%0.70837%0.37SS*.G310 helixtrans-60.8-29.4-175.2-2535.7000114.4A207 A211A207-P209 WeakPolarHBondContact O-CD 3.43Å; P209-A211 VanDerWaalsContact C-N 3.27Å; P209-A211 PolarHBondContact O-N 3.5Å
210T60.8Low65.2Low86 Ų8664.8 Ų64.853%0.52837%0.371SS..G310 helixtrans-76.5-12.3-178.659.90000113.6N208 Y212 S213N208-T210 PolarHBondContact ND2-OG1 2.91Å; N208-T210 PolarHBondContact O-N 2.95Å; N208-T210 PolarHBondContact OD1-N 3.32Å; N208-T210 PolarHBondContact OD1-OG1 3.43Å; N208-T210 VanDerWaalsContact OD1-OG1 3.06Å; T210-Y212 PolarHBondContact O-N 3.17Å; T210-S213 PolarHBondContact O-N 3.32Å; T210-S213 VanDerWaalsContact O-N 3.12Å; T210-S213 PolarHBondContact O-OG 3.49Å
211A56.1Low65.4Low6 Ų666.1 Ų66.15%0.0538%0.376CS..G310 helixtrans-63.2-29.1175.300000112.6F204 N208 P209 S213 D214 M217F204-A211 HydrophobicContact CD2-CB 4.1Å; F204-A211 HydrophobicContact CE1-CB 4.32Å; F204-A211 HydrophobicContact CE2-CB 3.56Å; F204-A211 HydrophobicContact CZ-CB 3.68Å; N208-A211 WeakPolarHBondContact O-CB 3.35Å; N208-A211 PolarHBondContact O-N 3.48Å; N208-A211 VanDerWaalsContact O-N 3.14Å; P209-A211 VanDerWaalsContact C-N 3.27Å; P209-A211 PolarHBondContact O-N 3.5Å; A211-S213 VanDerWaalsContact C-N 3.26Å; A211-S213 PolarHBondContact O-N 2.86Å; A211-D214 WeakPolarHBondContact O-CB 3.43Å; A211-D214 PolarHBondContact O-N 2.88Å; A211-M217 HydrophobicContact CB-CE 4.41Å; A211-M217 VanDerWaalsContact O-CB 3.29Å; A211-M217 WeakPolarHBondContact O-CB 3.49Å
212Y66.4Low66Low109 Ų10964.5 Ų64.543%0.42737%0.368SS..G310 helixtrans-74.3-12.9176.5-76.9-77.4000114.4V196 T210 M217V196-Y212 HydrophobicContact CG1-CE1 4.29Å; T210-Y212 PolarHBondContact O-N 3.17Å; Y212-M217 HydrophobicContact CD1-CE 4.47Å; Y212-M217 HydrophobicContact CD1-CG 4.06Å; Y212-M217 HydrophobicContact CE1-CE 4.33Å; Y212-M217 HydrophobicContact CE1-CG 4.49Å
213S63.1Low66.7Low97 Ų9763.7 Ų63.768%0.67836%0.362SS*.G310 helixtrans-93.3-3.2172.134.30000114T210 A211T210-S213 PolarHBondContact O-N 3.32Å; T210-S213 VanDerWaalsContact O-N 3.12Å; T210-S213 PolarHBondContact O-OG 3.49Å; A211-S213 VanDerWaalsContact C-N 3.26Å; A211-S213 PolarHBondContact O-N 2.86Å
214D67.3Low67.5Low39 Ų3963.6 Ų63.621%0.20936%0.362CS..SBendtrans-71.8130.2176.6-166-53.2000110.7A211 R216 M217 K218 F303A211-D214 WeakPolarHBondContact O-CB 3.43Å; A211-D214 PolarHBondContact O-N 2.88Å; D214-R216 PolarHBondContact O-N 3.29Å; D214-R216 WeakPolarHBondContact OD1-CB 3.41Å; D214-R216 VanDerWaalsContact OD1-CG 3.29Å; D214-R216 WeakPolarHBondContact OD1-CG 3.37Å; D214-R216 IonicContact OD1-CZ 3.18Å; D214-R216 PolarHBondContact OD1-N 3.27Å; D214-R216 IonicContact OD1-NE 2.75Å; D214-R216 PolarHBondContact OD1-NE 3.27Å; D214-R216 IonicContact OD1-NH2 2.73Å; D214-R216 IonicContact OD2-CZ 2.79Å; D214-R216 IonicContact OD2-NE 3.78Å; D214-R216 PolarHBondContact OD2-NE 3.46Å; D214-R216 IonicContact OD2-NH2 2.83Å; D214-R216 PolarHBondContact OD2-NH2 3.39Å; D214-M217 HydrophobicContact CB-CB 4.44Å; D214-M217 WeakPolarHBondContact O-CB 3.36Å; D214-M217 PolarHBondContact O-N 2.98Å; D214-K218 PolarHBondContact O-N 3.35Å; D214-F303 HydrophobicContact CB-CE2 4.24Å
215P72.4Confident68.8Low101 Ų10167.7 Ų67.766%0.65638%0.379SS*.Hα-helixtrans-52.7-29.4175.4-27.835.7000114K218 Q219P215-K218 WeakPolarHBondContact O-CB 3.49Å; P215-K218 PolarHBondContact O-N 2.97Å; P215-Q219 PolarHBondContact O-N 2.96Å; P215-Q219 VanDerWaalsContact O-N 3.14Å
216R71.5Confident70.7Confident58 Ų5869.4 Ų69.422%0.21937%0.373CS..Hα-helixtrans-71.8-34.4178.3-60.5174.1-65.5163.67.5112.1D214 K218 Q219 F220 Q300 F303 L307D214-R216 PolarHBondContact O-N 3.29Å; D214-R216 WeakPolarHBondContact OD1-CB 3.41Å; D214-R216 VanDerWaalsContact OD1-CG 3.29Å; D214-R216 WeakPolarHBondContact OD1-CG 3.37Å; D214-R216 IonicContact OD1-CZ 3.18Å; D214-R216 PolarHBondContact OD1-N 3.27Å; D214-R216 IonicContact OD1-NE 2.75Å; D214-R216 PolarHBondContact OD1-NE 3.27Å; D214-R216 IonicContact OD1-NH2 2.73Å; D214-R216 IonicContact OD2-CZ 2.79Å; D214-R216 IonicContact OD2-NE 3.78Å; D214-R216 PolarHBondContact OD2-NE 3.46Å; D214-R216 IonicContact OD2-NH2 2.83Å; D214-R216 PolarHBondContact OD2-NH2 3.39Å; R216-K218 VanDerWaalsContact C-N 3.26Å; R216-K218 PolarHBondContact O-N 2.97Å; R216-Q219 PolarHBondContact O-N 2.97Å; R216-F220 PolarHBondContact O-N 3.42Å; R216-Q300 PolarHBondContact NH1-O 2.89Å; R216-F303 HydrophobicContact CB-CD1 3.58Å; R216-F303 HydrophobicContact CB-CE1 3.84Å; R216-F303 HydrophobicContact CB-CG 4.09Å; R216-L307 HydrophobicContact CB-CD1 3.62Å; R216-L307 HydrophobicContact CG-CD1 3.81Å
217M78.6Confident73Confident1 Ų164.4 Ų64.41%0.00534%0.342CS..Hα-helixtrans-63.1-37.7170.4-16859.993.500110.7F204 A211 Y212 D214 F220 L221 F303F204-M217 HydrophobicContact CE2-CE 4.47Å; A211-M217 HydrophobicContact CB-CE 4.41Å; A211-M217 VanDerWaalsContact O-CB 3.29Å; A211-M217 WeakPolarHBondContact O-CB 3.49Å; Y212-M217 HydrophobicContact CD1-CE 4.47Å; Y212-M217 HydrophobicContact CD1-CG 4.06Å; Y212-M217 HydrophobicContact CE1-CE 4.33Å; Y212-M217 HydrophobicContact CE1-CG 4.49Å; D214-M217 HydrophobicContact CB-CB 4.44Å; D214-M217 WeakPolarHBondContact O-CB 3.36Å; D214-M217 PolarHBondContact O-N 2.98Å; M217-F220 PolarHBondContact O-N 2.96Å; M217-F220 HydrophobicContact SD-CD1 4.38Å; M217-L221 HydrophobicContact CG-CD1 4.06Å; M217-L221 HydrophobicContact CG-CG 4.42Å; M217-L221 WeakPolarHBondContact O-CB 3.46Å; M217-L221 VanDerWaalsContact O-CG 3.24Å; M217-L221 WeakPolarHBondContact O-CG 3.32Å; M217-L221 PolarHBondContact O-N 3.14Å; M217-F303 HydrophobicContact CB-CE1 4.21Å; M217-F303 HydrophobicContact CB-CE2 4.47Å; M217-F303 HydrophobicContact CB-CZ 3.58Å; M217-F303 HydrophobicContact CE-CE2 4.37Å; M217-F303 HydrophobicContact CE-CZ 3.74Å; M217-F303 HydrophobicContact CG-CZ 4.21Å; M217-F303 HydrophobicContact SD-CE1 4.36Å; M217-F303 HydrophobicContact SD-CZ 3.81Å
218K76.5Confident75.1Confident141 Ų14160.7 Ų60.761%0.61331%0.31SS*.Hα-helixtrans-65.3-42.9178.2-163.7-179.8178.8-174.70112D214 P215 R216 L221 D222D214-K218 PolarHBondContact O-N 3.35Å; P215-K218 WeakPolarHBondContact O-CB 3.49Å; P215-K218 PolarHBondContact O-N 2.97Å; R216-K218 VanDerWaalsContact C-N 3.26Å; R216-K218 PolarHBondContact O-N 2.97Å; K218-L221 PolarHBondContact O-N 3.41Å; K218-D222 PolarHBondContact O-N 3.5Å
219Q77Confident76.7Confident114 Ų11464.3 Ų64.353%0.53332%0.323SS..Hα-helixtrans-61.4-44.8173-72179.1-4400112.2P215 R216 L221 D222 Y223 L307P215-Q219 PolarHBondContact O-N 2.96Å; P215-Q219 VanDerWaalsContact O-N 3.14Å; R216-Q219 PolarHBondContact O-N 2.97Å; Q219-L221 PolarHBondContact O-N 2.72Å; Q219-D222 PolarHBondContact O-N 3.12Å; Q219-Y223 PolarHBondContact O-N 3.23Å; Q219-L307 HydrophobicContact CB-CD2 4.06Å
220F82Confident78.2Confident2 Ų262.5 Ų62.51%0.00931%0.307CS..Hα-helixtrans-59.5-45.6175.1179.9-96.7000112F195 I199 R216 M217 D222 Y223 V224 V310F195-F220 HydrophobicContact CE1-CZ 4.32Å; I199-F220 HydrophobicContact CB-CE1 4.44Å; I199-F220 HydrophobicContact CB-CZ 3.98Å; I199-F220 HydrophobicContact CG1-CZ 4.33Å; I199-F220 HydrophobicContact CG2-CE1 4.15Å; I199-F220 HydrophobicContact CG2-CE2 4.06Å; I199-F220 HydrophobicContact CG2-CZ 3.51Å; R216-F220 PolarHBondContact O-N 3.42Å; M217-F220 PolarHBondContact O-N 2.96Å; M217-F220 HydrophobicContact SD-CD1 4.38Å; F220-D222 VanDerWaalsContact C-N 3.34Å; F220-D222 PolarHBondContact O-N 3.49Å; F220-Y223 PolarHBondContact O-N 3.3Å; F220-V224 HydrophobicContact CD1-CG2 4.25Å; F220-V224 HydrophobicContact CE1-CG2 3.78Å; F220-V224 HydrophobicContact CE2-CG2 4.21Å; F220-V224 HydrophobicContact CZ-CG2 3.73Å; F220-V224 WeakPolarHBondContact O-CG2 3.29Å; F220-V224 PolarHBondContact O-N 2.85Å; F220-V310 HydrophobicContact CD2-CG2 3.85Å; F220-V310 HydrophobicContact CE2-CG2 3.99Å
221L82.4Confident79.5Confident40 Ų4058.9 Ų58.921%0.20929%0.285CS..Hα-helixtrans-60.5-39.3176.4-76.6166.6000112.9V196 M217 K218 Q219 V224 K225V196-L221 HydrophobicContact CB-CD2 4.41Å; V196-L221 HydrophobicContact CG1-CD2 3.76Å; V196-L221 HydrophobicContact CG2-CD2 3.73Å; M217-L221 HydrophobicContact CG-CD1 4.06Å; M217-L221 HydrophobicContact CG-CG 4.42Å; M217-L221 WeakPolarHBondContact O-CB 3.46Å; M217-L221 VanDerWaalsContact O-CG 3.24Å; M217-L221 WeakPolarHBondContact O-CG 3.32Å; M217-L221 PolarHBondContact O-N 3.14Å; K218-L221 PolarHBondContact O-N 3.41Å; Q219-L221 PolarHBondContact O-N 2.72Å; L221-V224 PolarHBondContact O-N 2.7Å; L221-K225 WeakPolarHBondContact O-CG 3.09Å; L221-K225 PolarHBondContact O-N 3.15Å; L221-K225 VanDerWaalsContact O-N 3.09Å
222D83.3Confident81.1Confident59 Ų5962.1 Ų62.132%0.31630%0.298SS..Hα-helixtrans-77.3-31.9-179.6-71.6-25.7000112.6K218 Q219 F220 K225 R226K218-D222 PolarHBondContact O-N 3.5Å; Q219-D222 PolarHBondContact O-N 3.12Å; F220-D222 VanDerWaalsContact C-N 3.34Å; F220-D222 PolarHBondContact O-N 3.49Å; D222-K225 PolarHBondContact O-N 2.79Å; D222-K225 IonicContact OD1-NZ 2.78Å; D222-K225 PolarHBondContact OD1-NZ 3.24Å; D222-R226 PolarHBondContact O-N 3.49Å; D222-R226 VanDerWaalsContact O-N 3.11Å
223Y85.6Confident81.9Confident3 Ų362.1 Ų62.11%0.01231%0.309CS..Hα-helixtrans-61.5-48.3165.2169.3-99.2000111.5Q219 F220 K225 R226 M227 I252 V310 R313 E314Q219-Y223 PolarHBondContact O-N 3.23Å; F220-Y223 PolarHBondContact O-N 3.3Å; Y223-K225 PolarHBondContact O-N 3.02Å; Y223-R226 WeakPolarHBondContact O-CA 3.22Å; Y223-R226 PolarHBondContact O-N 3.36Å; Y223-M227 HydrophobicContact CE1-CB 4.2Å; Y223-M227 HydrophobicContact CE1-CG 4.5Å; Y223-M227 HydrophobicContact CE1-SD 4.02Å; Y223-M227 HydrophobicContact CE2-CB 4.37Å; Y223-M227 PolarHBondContact O-N 3.4Å; Y223-I252 HydrophobicContact CE1-CD1 4.31Å; Y223-V310 HydrophobicContact CD1-CB 4.21Å; Y223-V310 HydrophobicContact CD1-CG1 3.72Å; Y223-V310 HydrophobicContact CD1-CG2 3.56Å; Y223-V310 HydrophobicContact CD2-CG1 3.66Å; Y223-V310 HydrophobicContact CE1-CB 4.48Å; Y223-V310 HydrophobicContact CE1-CG1 4.31Å; Y223-V310 HydrophobicContact CE1-CG2 3.79Å; Y223-V310 HydrophobicContact CE2-CG1 4.25Å; Y223-V310 HydrophobicContact CG-CB 4.31Å; Y223-V310 HydrophobicContact CG-CG1 3.35Å; Y223-V310 HydrophobicContact CG-CG2 4.13Å; Y223-R313 WeakPolarHBondContact OH-CB 3.33Å; Y223-E314 HydrophobicContact CD2-CB 4.28Å; Y223-E314 HydrophobicContact CE2-CB 4.11Å
224V86.9Confident82.9Confident0 Ų063.4 Ų63.40%030%0.302CS..Hα-helixtrans-60.7-35.1-178.9171.10000111.1M192 F195 V196 F220 L221 M227 E228M192-V224 HydrophobicContact CG-CG1 3.59Å; M192-V224 HydrophobicContact SD-CG1 4.39Å; F195-V224 HydrophobicContact CD1-CG1 4.08Å; F195-V224 HydrophobicContact CD1-CG2 4.05Å; F195-V224 HydrophobicContact CE1-CG1 4.48Å; F195-V224 HydrophobicContact CE1-CG2 3.84Å; V196-V224 HydrophobicContact CG2-CG1 4.07Å; F220-V224 HydrophobicContact CD1-CG2 4.25Å; F220-V224 HydrophobicContact CE1-CG2 3.78Å; F220-V224 HydrophobicContact CE2-CG2 4.21Å; F220-V224 HydrophobicContact CZ-CG2 3.73Å; F220-V224 WeakPolarHBondContact O-CG2 3.29Å; F220-V224 PolarHBondContact O-N 2.85Å; L221-V224 PolarHBondContact O-N 2.7Å; V224-M227 HydrophobicContact CB-CE 4.38Å; V224-M227 HydrophobicContact CG1-CE 4.02Å; V224-M227 WeakPolarHBondContact O-CE 3.49Å; V224-E228 WeakPolarHBondContact O-CB 3.44Å; V224-E228 PolarHBondContact O-N 3.1Å
225K86.8Confident83.8Confident100 Ų10062.8 Ų62.844%0.43530%0.301SS..Hα-helixtrans-65-40.9170.2-70168.9-161.61620113.5M192 L221 D222 Y223 K229M192-K225 HydrophobicContact CE-CG 3.76Å; M192-K225 HydrophobicContact SD-CB 4.39Å; M192-K225 HydrophobicContact SD-CG 3.73Å; L221-K225 WeakPolarHBondContact O-CG 3.09Å; L221-K225 PolarHBondContact O-N 3.15Å; L221-K225 VanDerWaalsContact O-N 3.09Å; D222-K225 PolarHBondContact O-N 2.79Å; D222-K225 IonicContact OD1-NZ 2.78Å; D222-K225 PolarHBondContact OD1-NZ 3.24Å; Y223-K225 PolarHBondContact O-N 3.02Å; K225-K229 VanDerWaalsContact O-CB 3.29Å; K225-K229 WeakPolarHBondContact O-CB 3.48Å; K225-K229 PolarHBondContact O-N 3.4Å; K225-K229 VanDerWaalsContact O-N 3.1Å
226R86.8Confident84.2Confident135 Ų13569 Ų6951%0.50931%0.311SS..Hα-helixtrans-65.1-52.4177.9-75.6-162.5-71.8-105.26.7110.9D222 Y223 E228 K229 D230 E314D222-R226 PolarHBondContact O-N 3.49Å; D222-R226 VanDerWaalsContact O-N 3.11Å; Y223-R226 WeakPolarHBondContact O-CA 3.22Å; Y223-R226 PolarHBondContact O-N 3.36Å; R226-E228 PolarHBondContact O-N 3.05Å; R226-K229 PolarHBondContact O-N 2.86Å; R226-D230 PolarHBondContact O-N 2.84Å; R226-E314 IonicContact CZ-OE1 3.15Å; R226-E314 IonicContact CZ-OE2 2.7Å; R226-E314 IonicContact NE-OE1 3.25Å; R226-E314 PolarHBondContact NE-OE1 2.78Å; R226-E314 IonicContact NH2-OE1 2.81Å; R226-E314 PolarHBondContact NH2-OE1 3.01Å; R226-E314 IonicContact NH2-OE2 3.77Å; R226-E314 PolarHBondContact NH2-OE2 2.98Å
227M91.5Very high84.7Confident7 Ų768.4 Ų68.43%0.03432%0.316CS..Hα-helixtrans-62.9-40.3178.4166.8-135.962.100112.1F195 Y223 V224 K229 D230 V231 M245 H248F195-M227 HydrophobicContact CE1-CE 4.48Å; F195-M227 HydrophobicContact CE2-CE 4.19Å; F195-M227 HydrophobicContact CE2-SD 4.41Å; F195-M227 HydrophobicContact CZ-CE 4.07Å; F195-M227 HydrophobicContact CZ-SD 4.08Å; Y223-M227 HydrophobicContact CE1-CB 4.2Å; Y223-M227 HydrophobicContact CE1-CG 4.5Å; Y223-M227 HydrophobicContact CE1-SD 4.02Å; Y223-M227 HydrophobicContact CE2-CB 4.37Å; Y223-M227 PolarHBondContact O-N 3.4Å; V224-M227 HydrophobicContact CB-CE 4.38Å; V224-M227 HydrophobicContact CG1-CE 4.02Å; V224-M227 WeakPolarHBondContact O-CE 3.49Å; M227-K229 VanDerWaalsContact C-N 3.34Å; M227-K229 PolarHBondContact O-N 3.17Å; M227-D230 PolarHBondContact O-N 2.93Å; M227-V231 WeakPolarHBondContact O-CB 3.48Å; M227-V231 VanDerWaalsContact O-CG2 3.27Å; M227-V231 WeakPolarHBondContact O-CG2 3.47Å; M227-V231 PolarHBondContact O-N 3.49Å; M227-M245 HydrophobicContact CE-CE 3.28Å; M227-M245 HydrophobicContact CE-SD 4.29Å; M227-M245 HydrophobicContact SD-CE 4.03Å; M227-H248 HydrophobicContact SD-CB 3.85Å
228E92.9Very high84.8Confident10 Ų1069.7 Ų69.75%0.04732%0.324CS..Hα-helixtrans-60.1-43.9173.3-175.5-76.3147.300111.7R188 M192 V224 R226 V231 F232 Y241 M245R188-E228 WeakPolarHBondContact CB-OE1 3.29Å; R188-E228 WeakPolarHBondContact CG-OE1 3.47Å; R188-E228 IonicContact CZ-OE1 2.67Å; R188-E228 IonicContact CZ-OE2 3.7Å; R188-E228 IonicContact NE-OE1 3.34Å; R188-E228 PolarHBondContact NE-OE1 3.38Å; R188-E228 IonicContact NE-OE2 2.81Å; R188-E228 IonicContact NH2-OE1 3.81Å; R188-E228 PolarHBondContact NH2-OE1 2.85Å; R188-E228 IonicContact NH2-OE2 3.35Å; R188-E228 PolarHBondContact NH2-OE2 2.91Å; M192-E228 HydrophobicContact CB-CG 4.47Å; M192-E228 HydrophobicContact CG-CB 4.32Å; M192-E228 HydrophobicContact CG-CG 4.29Å; M192-E228 HydrophobicContact SD-CB 4.38Å; M192-E228 HydrophobicContact SD-CG 4.49Å; V224-E228 WeakPolarHBondContact O-CB 3.44Å; V224-E228 PolarHBondContact O-N 3.1Å; R226-E228 PolarHBondContact O-N 3.05Å; E228-V231 PolarHBondContact O-N 3.42Å; E228-F232 WeakPolarHBondContact O-CB 3.41Å; E228-F232 PolarHBondContact O-N 2.98Å; E228-Y241 HydrophobicContact CG-CE2 4.4Å; E228-Y241 WeakPolarHBondContact CG-OH 3.41Å; E228-Y241 WeakPolarHBondContact OE1-CE2 3.39Å; E228-Y241 PolarHBondContact OE1-OH 3.36Å; E228-M245 HydrophobicContact CB-SD 4.36Å; E228-M245 HydrophobicContact CG-SD 4.22Å
229K87.5Confident85Confident134 Ų13469 Ų6958%0.58332%0.323SS*.Hα-helixtrans-65.4-41.1179.7-171-176.3178.9-170.10111.9K225 R226 M227 F232 V233K225-K229 VanDerWaalsContact O-CB 3.29Å; K225-K229 WeakPolarHBondContact O-CB 3.48Å; K225-K229 PolarHBondContact O-N 3.4Å; K225-K229 VanDerWaalsContact O-N 3.1Å; R226-K229 PolarHBondContact O-N 2.86Å; M227-K229 VanDerWaalsContact C-N 3.34Å; M227-K229 PolarHBondContact O-N 3.17Å; K229-F232 PolarHBondContact O-N 3.42Å; K229-V233 VanDerWaalsContact O-CG2 3.3Å; K229-V233 WeakPolarHBondContact O-CG2 3.11Å; K229-V233 PolarHBondContact O-N 3.49Å
230D86.4Confident85.3Confident71 Ų7167.2 Ų67.238%0.3832%0.315SS..Hα-helixtrans-65.6-43.7175-91.925.2000111.8R226 M227 F232 V233 K234R226-D230 PolarHBondContact O-N 2.84Å; M227-D230 PolarHBondContact O-N 2.93Å; D230-F232 VanDerWaalsContact C-N 3.32Å; D230-F232 PolarHBondContact O-N 3.38Å; D230-V233 PolarHBondContact O-N 3.39Å; D230-K234 WeakPolarHBondContact O-CB 3.38Å; D230-K234 PolarHBondContact O-N 3.18Å
231V88.9Confident85.7Confident9 Ų967.1 Ų67.16%0.05531%0.314CS..Hα-helixtrans-63-40175174.80000110.8M227 E228 S235 Y241 T244 M245M227-V231 WeakPolarHBondContact O-CB 3.48Å; M227-V231 VanDerWaalsContact O-CG2 3.27Å; M227-V231 WeakPolarHBondContact O-CG2 3.47Å; M227-V231 PolarHBondContact O-N 3.49Å; E228-V231 PolarHBondContact O-N 3.42Å; V231-S235 WeakPolarHBondContact O-CB 3.42Å; V231-S235 PolarHBondContact O-N 3.41Å; V231-S235 PolarHBondContact O-OG 3.5Å; V231-Y241 HydrophobicContact CG1-CD2 3.82Å; V231-Y241 HydrophobicContact CG1-CE2 4.35Å; V231-T244 HydrophobicContact CB-CG2 4.46Å; V231-T244 HydrophobicContact CG1-CG2 3.75Å; V231-T244 HydrophobicContact CG2-CG2 3.83Å; V231-M245 HydrophobicContact CG1-CG 4.08Å
232F90.4Very high86.1Confident74 Ų7466.5 Ų66.533%0.32531%0.31SS..Hα-helixtrans-63.9-37.3174.6-180-111000113.1I183 R188 E228 K229 D230 Y241I183-F232 HydrophobicContact CB-CE2 4.11Å; I183-F232 HydrophobicContact CG2-CD2 4.26Å; I183-F232 HydrophobicContact CG2-CE2 3.95Å; R188-F232 HydrophobicContact CG-CD2 4.26Å; R188-F232 HydrophobicContact CG-CE2 4.46Å; E228-F232 WeakPolarHBondContact O-CB 3.41Å; E228-F232 PolarHBondContact O-N 2.98Å; K229-F232 PolarHBondContact O-N 3.42Å; D230-F232 VanDerWaalsContact C-N 3.32Å; D230-F232 PolarHBondContact O-N 3.38Å; F232-Y241 HydrophobicContact CB-CD2 4.12Å; F232-Y241 HydrophobicContact CB-CE2 3.88Å; F232-Y241 HydrophobicContact CD2-CD2 4.36Å; F232-Y241 HydrophobicContact CD2-CE2 4.35Å
233V82.5Confident86.1Confident110 Ų11069.9 Ų69.967%0.66732%0.322SS*.Hα-helixtrans-77-37.4178.2169.70000112.5K229 D230K229-V233 VanDerWaalsContact O-CG2 3.3Å; K229-V233 WeakPolarHBondContact O-CG2 3.11Å; K229-V233 PolarHBondContact O-N 3.49Å; D230-V233 PolarHBondContact O-N 3.39Å
234K84.8Confident86.1Confident123 Ų12372 Ų7254%0.53534%0.335SS..Hα-helixtrans-78.3-25.6179.1-71.4-162.9171.9-159.10113.4D230 E324D230-K234 WeakPolarHBondContact O-CB 3.38Å; D230-K234 PolarHBondContact O-N 3.18Å; K234-E324 IonicContact NZ-OE1 3.37Å; K234-E324 IonicContact NZ-OE2 3.75Å; K234-E324 PolarHBondContact NZ-OE2 3.14Å
235S84.5Confident86.3Confident26 Ų2672.4 Ų72.418%0.18234%0.337CS..  trans-76.7128.3-176.6-60.60000113.3V231 Y241V231-S235 WeakPolarHBondContact O-CB 3.42Å; V231-S235 PolarHBondContact O-N 3.41Å; V231-S235 PolarHBondContact O-OG 3.5Å; S235-Y241 WeakPolarHBondContact OG-CA 3.36Å; S235-Y241 PolarHBondContact OG-N 3.08Å
236R80.9Confident86.2Confident232 Ų23270.1 Ų70.188%0.87534%0.337SS*.SBendtrans-92.1-13.7-178.5-55.9178.2-179.8-175-0.3113.2E240R236-E240 WeakPolarHBondContact CA-OE2 3.35Å; R236-E240 WeakPolarHBondContact CB-OE2 3.49Å; R236-E240 PolarHBondContact N-OE2 3Å
237S83.3Confident86Confident45 Ų4568.8 Ų68.832%0.31534%0.34SS..SBendtrans-140.2161.6178.869.40000112.6E239 E240 Y241S237-E239 VanDerWaalsContact C-N 3.32Å; S237-E239 PolarHBondContact O-N 3.4Å; S237-E240 PolarHBondContact O-N 2.97Å; S237-E240 VanDerWaalsContact OG-CB 3.24Å; S237-E240 WeakPolarHBondContact OG-CB 3.42Å; S237-E240 PolarHBondContact OG-N 3.05Å; S237-Y241 PolarHBondContact O-N 3.48Å
238T80.8Confident85.7Confident29 Ų2970.3 Ų70.318%0.17835%0.346CS..Hα-helixtrans-59.1-41.7174.6-67.20000112S181 I183 F242S181-T238 PolarHBondContact O-OG1 2.96Å; I183-T238 HydrophobicContact CD1-CG2 4.31Å; I183-T238 HydrophobicContact CG1-CG2 3.84Å; T238-F242 HydrophobicContact CG2-CD2 3.99Å; T238-F242 HydrophobicContact CG2-CE2 3.96Å; T238-F242 VanDerWaalsContact O-CD2 3.28Å; T238-F242 WeakPolarHBondContact O-CD2 3.32Å; T238-F242 PolarHBondContact O-N 2.97Å
239E80.1Confident85.4Confident127 Ų12772.4 Ų72.459%0.59335%0.354SS*.Hα-helixtrans-64.3-45.3179.4-168.1-167.1139.700111.6S237 Y241 F242 K243S237-E239 VanDerWaalsContact C-N 3.32Å; S237-E239 PolarHBondContact O-N 3.4Å; E239-Y241 VanDerWaalsContact C-N 3.35Å; E239-Y241 PolarHBondContact O-N 3.37Å; E239-F242 PolarHBondContact O-N 3.38Å; E239-K243 WeakPolarHBondContact O-CB 3.36Å; E239-K243 PolarHBondContact O-N 3.36Å; E239-K243 IonicContact OE1-NZ 3.68Å; E239-K243 PolarHBondContact OE1-NZ 3.28Å
240E82.3Confident85Confident75 Ų7571.5 Ų71.535%0.3535%0.352SS..Hα-helixtrans-60.1-40.9-176.6-174.4171.4-141.900112.8R236 S237 K243 T244R236-E240 WeakPolarHBondContact CA-OE2 3.35Å; R236-E240 WeakPolarHBondContact CB-OE2 3.49Å; R236-E240 PolarHBondContact N-OE2 3Å; S237-E240 PolarHBondContact O-N 2.97Å; S237-E240 VanDerWaalsContact OG-CB 3.24Å; S237-E240 WeakPolarHBondContact OG-CB 3.42Å; S237-E240 PolarHBondContact OG-N 3.05Å; E240-K243 PolarHBondContact O-N 2.89Å; E240-T244 VanDerWaalsContact O-CB 3.26Å; E240-T244 WeakPolarHBondContact O-CB 3.37Å; E240-T244 PolarHBondContact O-N 3.06Å; E240-T244 PolarHBondContact O-OG1 3.07Å
241Y92.2Very high85Confident0 Ų071.1 Ų71.10%035%0.35CS..Hα-helixtrans-60.8-52.4173.3168.6-93000112I183 R188 A191 E228 V231 F232 S235 S237 E239 K243 T244 M245I183-Y241 HydrophobicContact CD1-CD1 3.4Å; I183-Y241 VanDerWaalsContact CD1-CD1 3.4Å; I183-Y241 HydrophobicContact CD1-CD2 4.25Å; I183-Y241 HydrophobicContact CD1-CE1 4.26Å; I183-Y241 HydrophobicContact CD1-CG 3.4Å; I183-Y241 HydrophobicContact CG1-CD1 4.44Å; R188-Y241 WeakPolarHBondContact CA-OH 3.48Å; A191-Y241 HydrophobicContact CB-CE1 4.25Å; E228-Y241 HydrophobicContact CG-CE2 4.4Å; E228-Y241 WeakPolarHBondContact CG-OH 3.41Å; E228-Y241 WeakPolarHBondContact OE1-CE2 3.39Å; E228-Y241 PolarHBondContact OE1-OH 3.36Å; V231-Y241 HydrophobicContact CG1-CD2 3.82Å; V231-Y241 HydrophobicContact CG1-CE2 4.35Å; F232-Y241 HydrophobicContact CB-CD2 4.12Å; F232-Y241 HydrophobicContact CB-CE2 3.88Å; F232-Y241 HydrophobicContact CD2-CD2 4.36Å; F232-Y241 HydrophobicContact CD2-CE2 4.35Å; S235-Y241 WeakPolarHBondContact OG-CA 3.36Å; S235-Y241 PolarHBondContact OG-N 3.08Å; S237-Y241 PolarHBondContact O-N 3.48Å; E239-Y241 VanDerWaalsContact C-N 3.35Å; E239-Y241 PolarHBondContact O-N 3.37Å; Y241-K243 VanDerWaalsContact C-N 3.28Å; Y241-K243 PolarHBondContact O-N 3.13Å; Y241-T244 PolarHBondContact O-N 3.25Å; Y241-M245 HydrophobicContact CE1-CG 4.35Å; Y241-M245 HydrophobicContact CE2-CG 4.18Å; Y241-M245 WeakPolarHBondContact O-CB 3.29Å; Y241-M245 PolarHBondContact O-N 2.88Å
242F89.9Confident84.8Confident27 Ų2770.8 Ų70.812%0.11835%0.348CS..Hα-helixtrans-65.9-33-178.3-80.1-69.3000112.1A50 I183 Q187 A191 T238 E239 A246A50-F242 HydrophobicContact CB-CD2 4.22Å; A50-F242 HydrophobicContact CB-CE2 3.63Å; A50-F242 HydrophobicContact CB-CZ 3.97Å; I183-F242 HydrophobicContact CG1-CE2 4.33Å; Q187-F242 HydrophobicContact CB-CZ 3.97Å; Q187-F242 HydrophobicContact CG-CZ 4.08Å; A191-F242 HydrophobicContact CB-CE1 4.01Å; T238-F242 HydrophobicContact CG2-CD2 3.99Å; T238-F242 HydrophobicContact CG2-CE2 3.96Å; T238-F242 VanDerWaalsContact O-CD2 3.28Å; T238-F242 WeakPolarHBondContact O-CD2 3.32Å; T238-F242 PolarHBondContact O-N 2.97Å; E239-F242 PolarHBondContact O-N 3.38Å; F242-A246 VanDerWaalsContact O-CB 3.23Å; F242-A246 WeakPolarHBondContact O-CB 3.37Å; F242-A246 PolarHBondContact O-N 2.88Å
243K83.1Confident84.4Confident130 Ų13069.6 Ų69.657%0.56534%0.343SS*.Hα-helixtrans-69.9-44.5176.6-163.1175.5-157156.50111.6E239 E240 Y241 A246 L247E239-K243 WeakPolarHBondContact O-CB 3.36Å; E239-K243 PolarHBondContact O-N 3.36Å; E239-K243 IonicContact OE1-NZ 3.68Å; E239-K243 PolarHBondContact OE1-NZ 3.28Å; E240-K243 PolarHBondContact O-N 2.89Å; Y241-K243 VanDerWaalsContact C-N 3.28Å; Y241-K243 PolarHBondContact O-N 3.13Å; K243-A246 PolarHBondContact O-N 3.24Å; K243-L247 WeakPolarHBondContact O-CB 3.41Å; K243-L247 PolarHBondContact O-N 2.91Å
244T86.6Confident84.2Confident48 Ų4867.1 Ų67.129%0.29433%0.331SS..Hα-helixtrans-69.2-39.5176.8-53.70000111.5V231 E240 Y241 L247 H248V231-T244 HydrophobicContact CB-CG2 4.46Å; V231-T244 HydrophobicContact CG1-CG2 3.75Å; V231-T244 HydrophobicContact CG2-CG2 3.83Å; E240-T244 VanDerWaalsContact O-CB 3.26Å; E240-T244 WeakPolarHBondContact O-CB 3.37Å; E240-T244 PolarHBondContact O-N 3.06Å; E240-T244 PolarHBondContact O-OG1 3.07Å; Y241-T244 PolarHBondContact O-N 3.25Å; T244-L247 WeakPolarHBondContact O-CB 3.45Å; T244-L247 PolarHBondContact O-N 3.11Å; T244-H248 PolarHBondContact O-N 3.26Å
245M89.8Confident84.1Confident8 Ų864.8 Ų64.84%0.03932%0.322CS..Hα-helixtrans-63.9-42.5172.6-88.1-93.458.600112.5F195 M227 E228 V231 Y241 L247 H248 Y249F195-M245 HydrophobicContact CD2-CE 3.36Å; F195-M245 HydrophobicContact CD2-SD 4.41Å; F195-M245 HydrophobicContact CE2-CE 3.29Å; F195-M245 HydrophobicContact CG-CE 4.36Å; F195-M245 HydrophobicContact CZ-CE 4.25Å; M227-M245 HydrophobicContact CE-CE 3.28Å; M227-M245 HydrophobicContact CE-SD 4.29Å; M227-M245 HydrophobicContact SD-CE 4.03Å; E228-M245 HydrophobicContact CB-SD 4.36Å; E228-M245 HydrophobicContact CG-SD 4.22Å; V231-M245 HydrophobicContact CG1-CG 4.08Å; Y241-M245 HydrophobicContact CE1-CG 4.35Å; Y241-M245 HydrophobicContact CE2-CG 4.18Å; Y241-M245 WeakPolarHBondContact O-CB 3.29Å; Y241-M245 PolarHBondContact O-N 2.88Å; M245-L247 VanDerWaalsContact C-N 3.31Å; M245-L247 PolarHBondContact O-N 2.96Å; M245-H248 HydrophobicContact CE-CB 4.28Å; M245-H248 PolarHBondContact O-N 3.09Å; M245-Y249 PolarHBondContact O-N 3.5Å
246A84.7Confident83.9Confident53 Ų5364.3 Ų64.344%0.43832%0.317SS..Hα-helixtrans-62.6-37.9174.100000111.9F242 K243 Y249 H250F242-A246 VanDerWaalsContact O-CB 3.23Å; F242-A246 WeakPolarHBondContact O-CB 3.37Å; F242-A246 PolarHBondContact O-N 2.88Å; K243-A246 PolarHBondContact O-N 3.24Å; A246-Y249 PolarHBondContact O-N 2.96Å; A246-H250 WeakPolarHBondContact O-CB 3.32Å; A246-H250 PolarHBondContact O-N 3.48Å
247L82.5Confident83.7Confident107 Ų10759.9 Ų59.956%0.5630%0.304SS*.Hα-helixtrans-64.1-47.4176.1-168.569000111.9K243 T244 M245 Y249 H250 N251K243-L247 WeakPolarHBondContact O-CB 3.41Å; K243-L247 PolarHBondContact O-N 2.91Å; T244-L247 WeakPolarHBondContact O-CB 3.45Å; T244-L247 PolarHBondContact O-N 3.11Å; M245-L247 VanDerWaalsContact C-N 3.31Å; M245-L247 PolarHBondContact O-N 2.96Å; L247-Y249 VanDerWaalsContact C-N 3.32Å; L247-Y249 PolarHBondContact O-N 2.66Å; L247-H250 PolarHBondContact O-N 2.89Å; L247-N251 WeakPolarHBondContact O-CB 3.27Å; L247-N251 PolarHBondContact O-N 2.89Å; L247-N251 PolarHBondContact O-ND2 3.47Å; L247-N251 PolarHBondContact O-OD1 3.37Å
248H86Confident83.4Confident38 Ų3862.3 Ų62.318%0.17631%0.311CS..Hα-helixtrans-59.3-41.2173.8-85.5-63.3000112.5F195 M227 T244 M245 I252F195-H248 HydrophobicContact CE2-CB 3.99Å; F195-H248 HydrophobicContact CZ-CB 4.3Å; M227-H248 HydrophobicContact SD-CB 3.85Å; T244-H248 PolarHBondContact O-N 3.26Å; M245-H248 HydrophobicContact CE-CB 4.28Å; M245-H248 PolarHBondContact O-N 3.09Å; H248-I252 WeakPolarHBondContact O-CG1 3.36Å; H248-I252 PolarHBondContact O-N 3.4Å; H248-I252 VanDerWaalsContact O-N 3.11Å
249Y86Confident83.2Confident55 Ų5563 Ų6322%0.21631%0.311CS..Hα-helixtrans-61.2-50.4176.1165.1-103.6000110.9F195 D198 I199 M245 A246 L247 N251 I252 H253F195-Y249 VanDerWaalsContact CE2-CA 3.43Å; F195-Y249 VanDerWaalsContact CE2-N 3.28Å; D198-Y249 HydrophobicContact CB-CD2 4.4Å; D198-Y249 HydrophobicContact CB-CE2 3.5Å; I199-Y249 HydrophobicContact CD1-CD2 3.78Å; I199-Y249 HydrophobicContact CD1-CE2 3.77Å; I199-Y249 HydrophobicContact CG1-CD2 3.96Å; I199-Y249 HydrophobicContact CG1-CE2 4.08Å; M245-Y249 PolarHBondContact O-N 3.5Å; A246-Y249 PolarHBondContact O-N 2.96Å; L247-Y249 VanDerWaalsContact C-N 3.32Å; L247-Y249 PolarHBondContact O-N 2.66Å; Y249-N251 VanDerWaalsContact C-N 3.28Å; Y249-N251 PolarHBondContact O-N 2.97Å; Y249-I252 PolarHBondContact O-N 3.11Å; Y249-H253 HydrophobicContact CE2-CB 4.23Å; Y249-H253 AromaticContact CZ-CD2 3.96Å; Y249-H253 VanDerWaalsContact O-CB 3.22Å; Y249-H253 WeakPolarHBondContact O-CB 3.43Å; Y249-H253 PolarHBondContact O-N 3.4Å; Y249-H253 PolarHBondContact OH-CD2 2.83Å
250H80Confident82.8Confident114 Ų11460.1 Ų60.153%0.52830%0.295SS..Hα-helixtrans-65.4-34.7-176-138.239.2000111.7A246 L247 S254A246-H250 WeakPolarHBondContact O-CB 3.32Å; A246-H250 PolarHBondContact O-N 3.48Å; L247-H250 PolarHBondContact O-N 2.89Å; H250-S254 WeakPolarHBondContact O-CB 3.35Å; H250-S254 PolarHBondContact O-N 2.73Å; H250-S254 PolarHBondContact O-OG 2.75Å
251N85.1Confident82.2Confident64 Ų6464.3 Ų64.334%0.34231%0.308SS..Hα-helixtrans-66.6-52.1175.9-68.4-9.3000111.9L247 Y249 H253 S254 E255L247-N251 WeakPolarHBondContact O-CB 3.27Å; L247-N251 PolarHBondContact O-N 2.89Å; L247-N251 PolarHBondContact O-ND2 3.47Å; L247-N251 PolarHBondContact O-OD1 3.37Å; Y249-N251 VanDerWaalsContact C-N 3.28Å; Y249-N251 PolarHBondContact O-N 2.97Å; N251-H253 PolarHBondContact O-N 3.44Å; N251-S254 PolarHBondContact O-N 2.65Å; N251-E255 PolarHBondContact O-N 3.37Å
252I85.2Confident81Confident1 Ų167.7 Ų67.71%0.00533%0.325CS..Hα-helixtrans-63.1-43.5177.7-61.8178.6000111F195 I199 Y223 H248 Y249 S254 E255 L256 I309F195-I252 HydrophobicContact CE1-CD1 4.18Å; F195-I252 HydrophobicContact CZ-CD1 3.92Å; I199-I252 HydrophobicContact CD1-CB 4.22Å; I199-I252 HydrophobicContact CD1-CG2 3.96Å; Y223-I252 HydrophobicContact CE1-CD1 4.31Å; H248-I252 WeakPolarHBondContact O-CG1 3.36Å; H248-I252 PolarHBondContact O-N 3.4Å; H248-I252 VanDerWaalsContact O-N 3.11Å; Y249-I252 PolarHBondContact O-N 3.11Å; I252-S254 VanDerWaalsContact C-N 3.32Å; I252-S254 PolarHBondContact O-N 2.99Å; I252-E255 PolarHBondContact O-N 3.27Å; I252-L256 HydrophobicContact CG2-CD1 3.95Å; I252-L256 HydrophobicContact CG2-CG 4.35Å; I252-L256 WeakPolarHBondContact O-CB 3.47Å; I252-L256 WeakPolarHBondContact O-CG 3.35Å; I252-L256 PolarHBondContact O-N 3.47Å; I252-I309 HydrophobicContact CG1-CG2 4.28Å; I252-I309 HydrophobicContact CG2-CG2 4.33Å
253H82.1Confident79.6Confident49 Ų4968.5 Ų68.523%0.22733%0.327CS..Hα-helixtrans-61.9-40.1177.4178.7-73.9000111.8I199 S202 Y249 N251 K257I199-H253 HydrophobicContact CD1-CB 3.98Å; S202-H253 PolarHBondContact OG-CD2 3.27Å; Y249-H253 HydrophobicContact CE2-CB 4.23Å; Y249-H253 AromaticContact CZ-CD2 3.96Å; Y249-H253 VanDerWaalsContact O-CB 3.22Å; Y249-H253 WeakPolarHBondContact O-CB 3.43Å; Y249-H253 PolarHBondContact O-N 3.4Å; Y249-H253 PolarHBondContact OH-CD2 2.83Å; N251-H253 PolarHBondContact O-N 3.44Å; H253-K257 VanDerWaalsContact O-CB 3.29Å; H253-K257 WeakPolarHBondContact O-CB 3.18Å; H253-K257 PolarHBondContact O-N 2.82Å
254S79.2Confident78.4Confident59 Ų5967.4 Ų67.441%0.41333%0.325SS..Hα-helixtrans-67.7-44.5178.4-60.60000111.5H250 N251 I252 L256 K257 E258H250-S254 WeakPolarHBondContact O-CB 3.35Å; H250-S254 PolarHBondContact O-N 2.73Å; H250-S254 PolarHBondContact O-OG 2.75Å; N251-S254 PolarHBondContact O-N 2.65Å; I252-S254 VanDerWaalsContact C-N 3.32Å; I252-S254 PolarHBondContact O-N 2.99Å; S254-L256 PolarHBondContact O-N 3.42Å; S254-K257 PolarHBondContact O-N 3.37Å; S254-E258 VanDerWaalsContact O-CB 3.3Å; S254-E258 WeakPolarHBondContact O-CB 3.44Å; S254-E258 PolarHBondContact O-N 2.86Å
255E82.6Confident76.4Confident73 Ų7367.1 Ų67.134%0.34132%0.324SS..Hα-helixtrans-65.3-37175.1-75170114.500113.1N251 I252 E258 K259 I309 R313N251-E255 PolarHBondContact O-N 3.37Å; I252-E255 PolarHBondContact O-N 3.27Å; E255-E258 PolarHBondContact O-N 2.68Å; E255-K259 VanDerWaalsContact O-CB 3.31Å; E255-K259 WeakPolarHBondContact O-CB 3.43Å; E255-K259 WeakPolarHBondContact O-CG 3.32Å; E255-K259 PolarHBondContact O-N 2.83Å; E255-I309 HydrophobicContact CB-CD1 3.7Å; E255-I309 HydrophobicContact CB-CG1 4.2Å; E255-I309 HydrophobicContact CB-CG2 4.45Å; E255-I309 WeakPolarHBondContact OE2-CG2 3.41Å; E255-R313 IonicContact OE1-NH2 3.02Å; E255-R313 IonicContact OE2-CZ 2.69Å; E255-R313 IonicContact OE2-NH1 3.99Å; E255-R313 PolarHBondContact OE2-NH1 3.14Å; E255-R313 IonicContact OE2-NH2 2.8Å; E255-R313 PolarHBondContact OE2-NH2 3.05Å
256L80.2Confident73.7Confident16 Ų1668 Ų688%0.08433%0.331CS..Hα-helixtrans-64.7-41.1172.8-78.3173.2000111.7I199 I203 I252 S254 R260 D305 A306 I309I199-L256 HydrophobicContact CD1-CD1 4.43Å; I199-L256 HydrophobicContact CG2-CD1 3.87Å; I203-L256 HydrophobicContact CG1-CD1 4.27Å; I252-L256 HydrophobicContact CG2-CD1 3.95Å; I252-L256 HydrophobicContact CG2-CG 4.35Å; I252-L256 WeakPolarHBondContact O-CB 3.47Å; I252-L256 WeakPolarHBondContact O-CG 3.35Å; I252-L256 PolarHBondContact O-N 3.47Å; S254-L256 PolarHBondContact O-N 3.42Å; L256-R260 WeakPolarHBondContact O-CB 3.36Å; L256-R260 PolarHBondContact O-N 2.73Å; L256-D305 HydrophobicContact CD2-CB 4.19Å; L256-A306 HydrophobicContact CD2-CB 4.08Å; L256-I309 HydrophobicContact CD2-CD1 3.93Å; L256-I309 HydrophobicContact CG-CD1 4.03Å
257K76.6Confident71.1Confident139 Ų13966.2 Ų66.260%0.60432%0.315SS*.Hα-helixtrans-67.5-39.8176.3-170.8177.7-179.2-176.30111.5H253 S254 R260 R261H253-K257 VanDerWaalsContact O-CB 3.29Å; H253-K257 WeakPolarHBondContact O-CB 3.18Å; H253-K257 PolarHBondContact O-N 2.82Å; S254-K257 PolarHBondContact O-N 3.37Å; K257-R260 PolarHBondContact O-N 3.05Å; K257-R261 WeakPolarHBondContact O-CB 3.45Å; K257-R261 PolarHBondContact O-N 2.8Å
258E77.6Confident68.7Low96 Ų9663.3 Ų63.345%0.44930%0.303SS..Hα-helixtrans-68.4-45.7177.6-161.462.1-164.400110.9S254 E255 R260 R261 L262S254-E258 VanDerWaalsContact O-CB 3.3Å; S254-E258 WeakPolarHBondContact O-CB 3.44Å; S254-E258 PolarHBondContact O-N 2.86Å; E255-E258 PolarHBondContact O-N 2.68Å; E258-R260 VanDerWaalsContact C-N 3.34Å; E258-R260 PolarHBondContact O-N 2.65Å; E258-R261 CarbonylContact O-C 3.57Å; E258-R261 WeakPolarHBondContact O-CA 3.22Å; E258-R261 VanDerWaalsContact O-CB 3.24Å; E258-R261 WeakPolarHBondContact O-CB 3.5Å; E258-R261 PolarHBondContact O-N 2.82Å; E258-R261 VanDerWaalsContact O-N 3.1Å; E258-L262 HydrophobicContact CG-CD1 4.48Å; E258-L262 WeakPolarHBondContact O-CG 3.46Å; E258-L262 PolarHBondContact O-N 3.38Å
259K74.9Confident65.9Low45 Ų4563.8 Ų63.820%0.19631%0.306CS..Hα-helixtrans-61.7-37.2171.3-81.1-156.3175.1-174.60112.8E255 L262 R263 D305 E308 I309E255-K259 VanDerWaalsContact O-CB 3.31Å; E255-K259 WeakPolarHBondContact O-CB 3.43Å; E255-K259 WeakPolarHBondContact O-CG 3.32Å; E255-K259 PolarHBondContact O-N 2.83Å; K259-L262 PolarHBondContact O-N 3.17Å; K259-R263 WeakPolarHBondContact O-CB 3.37Å; K259-R263 WeakPolarHBondContact O-CD 3.38Å; K259-R263 WeakPolarHBondContact O-CG 3.25Å; K259-R263 PolarHBondContact O-N 3.44Å; K259-D305 WeakPolarHBondContact CB-OD2 3.31Å; K259-D305 HydrophobicContact CD-CB 3.82Å; K259-D305 VanDerWaalsContact CD-OD1 3.32Å; K259-D305 WeakPolarHBondContact CD-OD1 3.45Å; K259-D305 WeakPolarHBondContact CD-OD2 3.42Å; K259-D305 IonicContact NZ-OD1 3.35Å; K259-D305 PolarHBondContact NZ-OD1 3.08Å; K259-E308 IonicContact NZ-OE2 2.7Å; K259-E308 PolarHBondContact NZ-OE2 2.71Å; K259-I309 HydrophobicContact CD-CD1 4.42Å
260R71.5Confident63.2Low65 Ų6564.8 Ų64.825%0.24531%0.313CS..Hα-helixtrans-61.7-44171-177.1178.3-73.7152.6-0.2110.8S202 L256 K257 E258 L262 R263 E264S202-R260 PolarHBondContact O-NH2 2.9Å; L256-R260 WeakPolarHBondContact O-CB 3.36Å; L256-R260 PolarHBondContact O-N 2.73Å; K257-R260 PolarHBondContact O-N 3.05Å; E258-R260 VanDerWaalsContact C-N 3.34Å; E258-R260 PolarHBondContact O-N 2.65Å; R260-L262 PolarHBondContact O-N 2.97Å; R260-R263 CarbonylContact O-C 3.53Å; R260-R263 WeakPolarHBondContact O-CB 3.14Å; R260-R263 PolarHBondContact O-N 3.31Å; R260-R263 VanDerWaalsContact O-N 3.11Å; R260-E264 WeakPolarHBondContact CD-OE1 3.21Å; R260-E264 HydrophobicContact CG-CG 4.45Å; R260-E264 VanDerWaalsContact CG-OE1 3.29Å; R260-E264 WeakPolarHBondContact CG-OE1 3.24Å; R260-E264 WeakPolarHBondContact O-CG 3.36Å; R260-E264 PolarHBondContact O-N 3.06Å
261R70.2Confident61Low164 Ų16463.6 Ų63.662%0.61931%0.31SS*.Hα-helixtrans-58.2-45.2174-132.2177179-168.3-4.3112.3K257 E258 R263 E264 S265K257-R261 WeakPolarHBondContact O-CB 3.45Å; K257-R261 PolarHBondContact O-N 2.8Å; E258-R261 CarbonylContact O-C 3.57Å; E258-R261 WeakPolarHBondContact O-CA 3.22Å; E258-R261 VanDerWaalsContact O-CB 3.24Å; E258-R261 WeakPolarHBondContact O-CB 3.5Å; E258-R261 PolarHBondContact O-N 2.82Å; E258-R261 VanDerWaalsContact O-N 3.1Å; R261-R263 VanDerWaalsContact C-N 3.28Å; R261-R263 PolarHBondContact O-N 3.43Å; R261-E264 PolarHBondContact O-N 3.14Å; R261-S265 PolarHBondContact O-N 3.29Å; R261-S265 PolarHBondContact O-OG 3.49Å
262L66.7Low58.4Low71 Ų7162.8 Ų62.837%0.37232%0.317SS..Hα-helixtrans-67.1-26.3176.3-68.6166.4000112.9E258 K259 R260 S265 C266E258-L262 HydrophobicContact CG-CD1 4.48Å; E258-L262 WeakPolarHBondContact O-CG 3.46Å; E258-L262 PolarHBondContact O-N 3.38Å; K259-L262 PolarHBondContact O-N 3.17Å; R260-L262 PolarHBondContact O-N 2.97Å; L262-S265 WeakPolarHBondContact CA-OG 3.29Å; L262-S265 PolarHBondContact O-OG 3.09Å; L262-C266 WeakPolarHBondContact O-CB 3.34Å
263R61.9Low55.8Low43 Ų4369.5 Ų69.516%0.16235%0.353CS..Hα-helixtrans-78.7-34.9171.2-72159.4171.1-105.1-5.6112.5K259 R260 R261 S265 C266 D301 D305 R405K259-R263 WeakPolarHBondContact O-CB 3.37Å; K259-R263 WeakPolarHBondContact O-CD 3.38Å; K259-R263 WeakPolarHBondContact O-CG 3.25Å; K259-R263 PolarHBondContact O-N 3.44Å; R260-R263 CarbonylContact O-C 3.53Å; R260-R263 WeakPolarHBondContact O-CB 3.14Å; R260-R263 PolarHBondContact O-N 3.31Å; R260-R263 VanDerWaalsContact O-N 3.11Å; R261-R263 VanDerWaalsContact C-N 3.28Å; R261-R263 PolarHBondContact O-N 3.43Å; R263-S265 VanDerWaalsContact C-N 3.34Å; R263-C266 PolarHBondContact O-N 3.12Å; R263-D301 PolarHBondContact NH2-O 2.84Å; R263-D305 IonicContact CZ-OD1 3.82Å; R263-D305 IonicContact CZ-OD2 3.9Å; R263-D305 IonicContact NE-OD1 2.72Å; R263-D305 IonicContact NE-OD2 2.69Å; R263-D305 PolarHBondContact NE-OD2 3.33Å; R263-D305 IonicContact NH2-OD1 3.75Å; R263-D305 PolarHBondContact NH2-OD1 2.92Å; R263-D305 IonicContact NH2-OD2 2.74Å; R263-D305 PolarHBondContact NH2-OD2 3.44Å; R263-R405 PolarHBondContact O-NH2 2.74Å
264E56.9Low53.4Low108 Ų10875.7 Ų75.751%0.50539%0.386SS..Hα-helixtrans-71.7-30.3173.9-72.7165.6-175.400111.1R260 R261 C266 F612R260-E264 WeakPolarHBondContact CD-OE1 3.21Å; R260-E264 HydrophobicContact CG-CG 4.45Å; R260-E264 VanDerWaalsContact CG-OE1 3.29Å; R260-E264 WeakPolarHBondContact CG-OE1 3.24Å; R260-E264 WeakPolarHBondContact O-CG 3.36Å; R260-E264 PolarHBondContact O-N 3.06Å; R261-E264 PolarHBondContact O-N 3.14Å; E264-C266 VanDerWaalsContact C-N 3.33Å; E264-C266 PolarHBondContact O-N 3.37Å; E264-F612 WeakPolarHBondContact O-CE2 3.36Å; E264-F612 WeakPolarHBondContact O-CZ 3.43Å
265S44Very low51Low42 Ų4277.7 Ų77.729%0.29440%0.4SS..THydrogen-bonded Turntrans-82.3-0.1174.169.80000115.1R261 L262 R263 F612R261-S265 PolarHBondContact O-N 3.29Å; R261-S265 PolarHBondContact O-OG 3.49Å; L262-S265 WeakPolarHBondContact CA-OG 3.29Å; L262-S265 PolarHBondContact O-OG 3.09Å; R263-S265 VanDerWaalsContact C-N 3.34Å; S265-F612 WeakPolarHBondContact O-CD1 3.34Å; S265-F612 WeakPolarHBondContact O-CE1 3.29Å
266C33.1Very low48.5Very low27 Ų2781.5 Ų81.518%0.18242%0.422CS..SBendtrans-145.1125.5-177-71.70000113L262 R263 E264 R405L262-C266 WeakPolarHBondContact O-CB 3.34Å; R263-C266 PolarHBondContact O-N 3.12Å; E264-C266 VanDerWaalsContact C-N 3.33Å; E264-C266 PolarHBondContact O-N 3.37Å; C266-R405 VanDerWaalsContact C-NE 3.32Å; C266-R405 HydrophobicContact CB-CG 3.93Å; C266-R405 VanDerWaalsContact CB-NE 3.25Å; C266-R405 PolarHBondContact O-NE 3.34Å; C266-R405 PolarHBondContact O-NH2 3.42Å
267P30.5Very low46.2Very low14 Ų1486.4 Ų86.49%0.09145%0.453CS..  trans-84.7122.4178.231.8-33.8000114R405 F612 C613 G617P267-R405 WeakPolarHBondContact O-CG 3.38Å; P267-F612 HydrophobicContact CB-CB 3.8Å; P267-F612 HydrophobicContact CG-CB 3.63Å; P267-C613 WeakPolarHBondContact CG-O 3.44Å; P267-G617 VanDerWaalsContact CD-C 3.47Å; P267-G617 VanDerWaalsContact CD-CA 3.5Å; P267-G617 VanDerWaalsContact CD-O 3.22Å; P267-G617 WeakPolarHBondContact CD-O 3.49Å; P267-G617 VanDerWaalsContact CG-CA 3.48Å
268P32.1Very low43.9Very low47 Ų4786.1 Ų86.131%0.30546%0.463SS..  trans-46145.3-146-31.335.3000121.3I403 R404 R405P268-I403 HydrophobicContact CB-CB 4.1Å; P268-I403 HydrophobicContact CB-CD1 4.21Å; P268-I403 HydrophobicContact CB-CG2 4.12Å; P268-I403 HydrophobicContact CG-CD1 4.29Å; P268-I403 CarbonylContact O-C 3.6Å; P268-I403 WeakPolarHBondContact O-CB 3.39Å; P268-I403 WeakPolarHBondContact O-CG2 3.42Å; P268-R404 CarbonylContact O-C 3.56Å; P268-R404 PolarHBondContact O-N 2.91Å; P268-R405 VanDerWaalsContact C-CG 3.41Å; P268-R405 VanDerWaalsContact C-N 3.3Å; P268-R405 PolarHBondContact O-N 3.24Å
269L28Very low41.4Very low47 Ų4789.9 Ų89.925%0.24648%0.481CS..BIsolated β-bridgetrans-110.2140.8163.3-173123.1000110.9N271 I403 R404 R405 I407L269-N271 HydrophobicContact CD2-CB 3.88Å; L269-I403 CarbonylContact C-O 3.52Å; L269-I403 VanDerWaalsContact C-O 3.23Å; L269-I403 WeakPolarHBondContact CA-O 3.27Å; L269-R404 HydrophobicContact CD1-CB 4.06Å; L269-R405 HydrophobicContact CB-CB 3.55Å; L269-R405 HydrophobicContact CB-CG 4.31Å; L269-R405 VanDerWaalsContact CB-O 3.25Å; L269-R405 WeakPolarHBondContact CB-O 3.36Å; L269-R405 WeakPolarHBondContact CD1-O 3.42Å; L269-I407 HydrophobicContact CD1-CG1 4.37Å; L269-I407 HydrophobicContact CD2-CD1 3.69Å; L269-I407 HydrophobicContact CD2-CG1 4.08Å
270Q29.4Very low39.6Very low77 Ų7792.3 Ų92.336%0.3650%0.501SS..  trans-140.584.4170.7-52.3178.8-96.800105.1P402 I403Q270-P402 HydrophobicContact CB-CB 3.46Å; Q270-P402 VanDerWaalsContact CB-CB 3.46Å; Q270-P402 HydrophobicContact CB-CG 4.01Å; Q270-P402 HydrophobicContact CG-CB 4.1Å; Q270-I403 WeakPolarHBondContact CB-O 3.39Å; Q270-I403 PolarHBondContact N-O 3.46Å
271N33.9Very low37.5Very low88 Ų8894.1 Ų94.147%0.47152%0.523SS..  trans-66.7154.1149.7-80.3-5.6000106.3L269L269-N271 HydrophobicContact CD2-CB 3.88Å
272G30.5Very low35.6Very low47 Ų4794.3 Ų94.349%0.48553%0.531SS..  cis127.9109.110.300000108.2
273D29Very low33.8Very low143 Ų14397.5 Ų97.577%0.76555%0.548SS*.  trans59109.5157.6-44.9-39.1000118.8
274I32.7Very low32.2Very low178 Ų17899.7 Ų99.791%0.91357%0.57SS**  trans-118.5118.9131.3-63.8179000106.5
275S28.2Very low30.8Very low101 Ų101102 Ų10271%0.70659%0.586SS**  trans-110.4130.4164.5540000108.5
276D30Very low30Very low153 Ų153104.8 Ų104.882%0.81861%0.605SS**  -171.4-178.2104.7-136.6-41.5000111.7
277V31.5Very low29.6Very low120 Ų120109.7 Ų109.773%0.72763%0.634SS**  trans79.783.2168-162.50000117.1
278T30.2Very low29.5Very low133 Ų133114 Ų11482%0.81667%0.665SS**  72.4118.4129.4-47.10000120.8
279Q25Very low29.1Very low175 Ų175117 Ų11782%0.81869%0.687SS**  trans-105.1-178.8163.3-110.4-166.61900109.9
280P35.1Very low29.1Very low96 Ų96123.4 Ų123.462%0.62372%0.716SS**  cis-135-1722.130.3-6.8000115.8
281S28Very low29Very low102 Ų102126.4 Ų126.471%0.71373%0.734SS**  trans70.8140.1151.537.70000119.3
282E30Very low28.5Very low168 Ų168127.5 Ų127.579%0.78575%0.748SS**  cis-158.1168.52.4-127.8172.9-15400115
283L30.6Very low28.3Very low139 Ų139133 Ų13373%0.72877%0.766SS**  trans68.386.7153.2-72161.7000123
284S27.7Very low28.1Very low88 Ų88136.1 Ų136.162%0.61577%0.773SS**  66.8126.5116.269.40000124.7
285N26.3Very low27.9Very low157 Ų157132 Ų13284%0.8476%0.756SS**  trans67.7140.9137.9-64.4-17.5000120.3
286S27.8Very low28.2Very low101 Ų101132.7 Ų132.771%0.70675%0.752SS**  cis-163.7154.85.438.70000113.9
287V26.2Very low28.6Very low130 Ų130129 Ų12979%0.78874%0.738SS**  trans52127.6144175.50000118.8
288S26.6Very low29.1Very low104 Ų104129.2 Ų129.273%0.72773%0.726SS**  cis-141.3151.126.2-42.40000109.9
289S24.1Very low29.8Very low111 Ų111124.7 Ų124.778%0.77670%0.697SS**  cis81.587.734.7-62.10000116.9
290E28.3Very low31.1Very low181 Ų181121.3 Ų121.385%0.84668%0.681SS**  trans-174.6146.5140.1-90.1-141.7128.700109.4
291N27.5Very low32.3Very low139 Ų139120 Ų12074%0.74367%0.669SS**  cis-160.9104-29.6-141.3-23.7000107.4
292S24Very low34Very low111 Ų111115.6 Ų115.678%0.77664%0.637SS**  trans-92.1122.1-172.8-167.50000112.5K294S292-K294 PolarHBondContact O-N 2.87Å
293L25.5Very low35.7Very low164 Ų164107.7 Ų107.786%0.85960%0.601SS**  trans-67.2114.4175.2-82.8159.2000110.4T295L293-T295 PolarHBondContact O-N 3.34Å
294K25.1Very low37.6Very low207 Ų207104.5 Ų104.590%0.959%0.589SS**  trans-6698.1177-67.9173.3-179169.30110.4S292S292-K294 PolarHBondContact O-N 2.87Å
295T28.4Very low39.7Very low93 Ų93101.1 Ų101.157%0.57157%0.565SS**  trans-66.8149.4165.246.40000110.3L293L293-T295 PolarHBondContact O-N 3.34Å
296N34.7Very low41.7Very low115 Ų11593.7 Ų93.762%0.61553%0.525SS*.  trans-70.9137.3178.9-69.9-49.7000110.1Y298 D299N296-Y298 PolarHBondContact O-N 3.45Å; N296-Y298 VanDerWaalsContact O-N 3.09Å; N296-D299 PolarHBondContact O-N 2.87Å
297S38.3Very low43.7Very low74 Ų7490.3 Ų90.352%0.51750%0.499SS..Hα-helixtrans-60.9-23.817866.40000112.9D299 Q300 D301S297-D299 VanDerWaalsContact C-N 3.27Å; S297-D299 PolarHBondContact O-N 3.49Å; S297-Q300 WeakPolarHBondContact O-CB 3.4Å; S297-Q300 PolarHBondContact O-N 3.1Å; S297-D301 PolarHBondContact O-N 3.04Å
298Y42.5Very low46.2Very low125 Ų12587.9 Ų87.949%0.4948%0.479SS..Hα-helixtrans-59-34.1174.1-161.5-87.6000113.5N296 Q302N296-Y298 PolarHBondContact O-N 3.45Å; N296-Y298 VanDerWaalsContact O-N 3.09Å; Y298-Q302 WeakPolarHBondContact O-CG 3.32Å; Y298-Q302 PolarHBondContact O-NE2 3.47Å
299D44.6Very low48.7Very low38 Ų3883.3 Ų83.320%0.20345%0.446CS..Hα-helixtrans-76.4-35.5173.7-65.7-40.1000111.2F204 N296 S297 F303F204-D299 HydrophobicContact CE1-CB 4.02Å; N296-D299 PolarHBondContact O-N 2.87Å; S297-D299 VanDerWaalsContact C-N 3.27Å; S297-D299 PolarHBondContact O-N 3.49Å; D299-F303 PolarHBondContact O-N 2.88Å
300Q52.8Low51.1Low104 Ų10478.2 Ų78.249%0.48641%0.411SS..Hα-helixtrans-67.7-41.2-175.2-157.1168.91500111.7R216 S297R216-Q300 PolarHBondContact NH1-O 2.89Å; S297-Q300 WeakPolarHBondContact O-CB 3.4Å; S297-Q300 PolarHBondContact O-N 3.1Å
301D59.8Low53.2Low68 Ų6872.3 Ų72.336%0.36439%0.389SS..Hα-helixtrans-73.3-34.5-179.8-66.5-23.6000113.1R263 S297 F303 S304 D305R263-D301 PolarHBondContact NH2-O 2.84Å; S297-D301 PolarHBondContact O-N 3.04Å; D301-F303 VanDerWaalsContact C-N 3.29Å; D301-F303 PolarHBondContact O-N 3.28Å; D301-S304 WeakPolarHBondContact O-CB 3.06Å; D301-S304 PolarHBondContact O-N 3.36Å; D301-S304 VanDerWaalsContact O-N 3.17Å; D301-D305 PolarHBondContact O-N 3.07Å
302Q63.5Low55.5Low11 Ų1171.4 Ų71.45%0.05138%0.378CS..Hα-helixtrans-67.8-31.1-179.9-73.5-175.9102.400112I203 Y298 S304 D305 A306I203-Q302 HydrophobicContact CG2-CB 4.14Å; I203-Q302 PolarHBondContact O-NE2 3.41Å; I203-Q302 PolarHBondContact O-OE1 3.25Å; Y298-Q302 WeakPolarHBondContact O-CG 3.32Å; Y298-Q302 PolarHBondContact O-NE2 3.47Å; Q302-S304 VanDerWaalsContact C-N 3.31Å; Q302-S304 PolarHBondContact O-N 3.01Å; Q302-D305 PolarHBondContact O-N 3.29Å; Q302-A306 PolarHBondContact O-N 2.89Å
303F66.8Low57.9Low2 Ų268.2 Ų68.21%0.00935%0.349CS..Hα-helixtrans-63.9-37.4171.2-125.8-52.9000112.6F204 D214 R216 M217 D299 D301 D305 A306 L307F204-F303 HydrophobicContact CE2-CD2 4.05Å; F204-F303 AromaticContact CE2-CE2 3.6Å; F204-F303 HydrophobicContact CE2-CE2 3.6Å; F204-F303 HydrophobicContact CE2-CZ 4.35Å; F204-F303 AromaticContact CZ-CD2 3.71Å; F204-F303 HydrophobicContact CZ-CD2 3.71Å; F204-F303 AromaticContact CZ-CE2 3.59Å; F204-F303 HydrophobicContact CZ-CE2 3.59Å; D214-F303 HydrophobicContact CB-CE2 4.24Å; R216-F303 HydrophobicContact CB-CD1 3.58Å; R216-F303 HydrophobicContact CB-CE1 3.84Å; R216-F303 HydrophobicContact CB-CG 4.09Å; M217-F303 HydrophobicContact CB-CE1 4.21Å; M217-F303 HydrophobicContact CB-CE2 4.47Å; M217-F303 HydrophobicContact CB-CZ 3.58Å; M217-F303 HydrophobicContact CE-CE2 4.37Å; M217-F303 HydrophobicContact CE-CZ 3.74Å; M217-F303 HydrophobicContact CG-CZ 4.21Å; M217-F303 HydrophobicContact SD-CE1 4.36Å; M217-F303 HydrophobicContact SD-CZ 3.81Å; D299-F303 PolarHBondContact O-N 2.88Å; D301-F303 VanDerWaalsContact C-N 3.29Å; D301-F303 PolarHBondContact O-N 3.28Å; F303-D305 VanDerWaalsContact C-N 3.32Å; F303-D305 PolarHBondContact O-N 2.79Å; F303-A306 PolarHBondContact O-N 3.18Å; F303-L307 PolarHBondContact O-N 3.09Å
304S68.5Low59.9Low71 Ų7162.4 Ų62.450%0.49732%0.318SS..Hα-helixtrans-64.1-39.4178.6-139.10000111.4D301 Q302 L307 E308D301-S304 WeakPolarHBondContact O-CB 3.06Å; D301-S304 PolarHBondContact O-N 3.36Å; D301-S304 VanDerWaalsContact O-N 3.17Å; Q302-S304 VanDerWaalsContact C-N 3.31Å; Q302-S304 PolarHBondContact O-N 3.01Å; S304-L307 PolarHBondContact O-N 3.01Å; S304-E308 PolarHBondContact O-N 3.37Å
305D72.6Confident62.2Low18 Ų1857.4 Ų57.410%0.09630%0.298CS..Hα-helixtrans-61.8-46.1176.6-84.8-2.8000113.1L256 K259 R263 D301 Q302 F303 L307 E308 I309L256-D305 HydrophobicContact CD2-CB 4.19Å; K259-D305 WeakPolarHBondContact CB-OD2 3.31Å; K259-D305 HydrophobicContact CD-CB 3.82Å; K259-D305 VanDerWaalsContact CD-OD1 3.32Å; K259-D305 WeakPolarHBondContact CD-OD1 3.45Å; K259-D305 WeakPolarHBondContact CD-OD2 3.42Å; K259-D305 IonicContact NZ-OD1 3.35Å; K259-D305 PolarHBondContact NZ-OD1 3.08Å; R263-D305 IonicContact CZ-OD1 3.82Å; R263-D305 IonicContact CZ-OD2 3.9Å; R263-D305 IonicContact NE-OD1 2.72Å; R263-D305 IonicContact NE-OD2 2.69Å; R263-D305 PolarHBondContact NE-OD2 3.33Å; R263-D305 IonicContact NH2-OD1 3.75Å; R263-D305 PolarHBondContact NH2-OD1 2.92Å; R263-D305 IonicContact NH2-OD2 2.74Å; R263-D305 PolarHBondContact NH2-OD2 3.44Å; D301-D305 PolarHBondContact O-N 3.07Å; Q302-D305 PolarHBondContact O-N 3.29Å; F303-D305 VanDerWaalsContact C-N 3.32Å; F303-D305 PolarHBondContact O-N 2.79Å; D305-L307 VanDerWaalsContact C-N 3.27Å; D305-L307 PolarHBondContact O-N 3.2Å; D305-E308 PolarHBondContact O-N 3.39Å; D305-I309 WeakPolarHBondContact O-CD1 2.96Å; D305-I309 VanDerWaalsContact O-CG1 3.27Å; D305-I309 WeakPolarHBondContact O-CG1 3.38Å; D305-I309 PolarHBondContact O-N 3.02Å
306A68.6Low64Low1 Ų157.5 Ų57.51%0.00829%0.292CS..Hα-helixtrans-60.6-39.4178.600000111.6I203 L256 Q302 F303 V310I203-A306 HydrophobicContact CD1-CB 3.7Å; I203-A306 HydrophobicContact CG1-CB 4.35Å; L256-A306 HydrophobicContact CD2-CB 4.08Å; Q302-A306 PolarHBondContact O-N 2.89Å; F303-A306 PolarHBondContact O-N 3.18Å; A306-V310 WeakPolarHBondContact O-CB 3.23Å; A306-V310 VanDerWaalsContact O-CG2 3.31Å; A306-V310 WeakPolarHBondContact O-CG2 3.34Å; A306-V310 PolarHBondContact O-N 3.49Å; A306-V310 VanDerWaalsContact O-N 3.14Å
307L69.8Low65.3Low29 Ų2954.2 Ų54.215%0.15227%0.274CS..Hα-helixtrans-70-40.7176.6-109162.6000113R216 Q219 F303 S304 D305 V310 S311R216-L307 HydrophobicContact CB-CD1 3.62Å; R216-L307 HydrophobicContact CG-CD1 3.81Å; Q219-L307 HydrophobicContact CB-CD2 4.06Å; F303-L307 PolarHBondContact O-N 3.09Å; S304-L307 PolarHBondContact O-N 3.01Å; D305-L307 VanDerWaalsContact C-N 3.27Å; D305-L307 PolarHBondContact O-N 3.2Å; L307-V310 PolarHBondContact O-N 3.27Å; L307-S311 PolarHBondContact O-N 3.38Å; L307-S311 PolarHBondContact O-OG 3.49Å
308E78.1Confident66.4Low80 Ų8056.5 Ų56.537%0.37428%0.276SS..Hα-helixtrans-65.4-41.8178.1-162.8-153.9144.600111.9K259 S304 D305 V310 K312K259-E308 IonicContact NZ-OE2 2.7Å; K259-E308 PolarHBondContact NZ-OE2 2.71Å; S304-E308 PolarHBondContact O-N 3.37Å; D305-E308 PolarHBondContact O-N 3.39Å; E308-V310 VanDerWaalsContact C-N 3.3Å; E308-V310 PolarHBondContact O-N 2.68Å; E308-K312 HydrophobicContact CG-CD 4.45Å; E308-K312 WeakPolarHBondContact O-CB 3.49Å; E308-K312 WeakPolarHBondContact O-CG 3.17Å; E308-K312 PolarHBondContact O-N 3.33Å; E308-K312 WeakPolarHBondContact OE1-CE 3.32Å; E308-K312 IonicContact OE1-NZ 3.5Å; E308-K312 PolarHBondContact OE1-NZ 3.09Å
309I78.9Confident67.4Low8 Ų857.2 Ų57.24%0.04128%0.278CS..Hα-helixtrans-61-41.6174.3-68.5161.6000110.4I252 E255 L256 K259 D305 R313I252-I309 HydrophobicContact CG1-CG2 4.28Å; I252-I309 HydrophobicContact CG2-CG2 4.33Å; E255-I309 HydrophobicContact CB-CD1 3.7Å; E255-I309 HydrophobicContact CB-CG1 4.2Å; E255-I309 HydrophobicContact CB-CG2 4.45Å; E255-I309 WeakPolarHBondContact OE2-CG2 3.41Å; L256-I309 HydrophobicContact CD2-CD1 3.93Å; L256-I309 HydrophobicContact CG-CD1 4.03Å; K259-I309 HydrophobicContact CD-CD1 4.42Å; D305-I309 WeakPolarHBondContact O-CD1 2.96Å; D305-I309 VanDerWaalsContact O-CG1 3.27Å; D305-I309 WeakPolarHBondContact O-CG1 3.38Å; D305-I309 PolarHBondContact O-N 3.02Å; I309-R313 PolarHBondContact O-N 3.48Å
310V74.2Confident67.6Low4 Ų460 Ų602%0.02429%0.29CS..Hα-helixtrans-64.9-52.2177.11550000112.2F220 Y223 A306 L307 E308 K312 R313 E314F220-V310 HydrophobicContact CD2-CG2 3.85Å; F220-V310 HydrophobicContact CE2-CG2 3.99Å; Y223-V310 HydrophobicContact CD1-CB 4.21Å; Y223-V310 HydrophobicContact CD1-CG1 3.72Å; Y223-V310 HydrophobicContact CD1-CG2 3.56Å; Y223-V310 HydrophobicContact CD2-CG1 3.66Å; Y223-V310 HydrophobicContact CE1-CB 4.48Å; Y223-V310 HydrophobicContact CE1-CG1 4.31Å; Y223-V310 HydrophobicContact CE1-CG2 3.79Å; Y223-V310 HydrophobicContact CE2-CG1 4.25Å; Y223-V310 HydrophobicContact CG-CB 4.31Å; Y223-V310 HydrophobicContact CG-CG1 3.35Å; Y223-V310 HydrophobicContact CG-CG2 4.13Å; A306-V310 WeakPolarHBondContact O-CB 3.23Å; A306-V310 VanDerWaalsContact O-CG2 3.31Å; A306-V310 WeakPolarHBondContact O-CG2 3.34Å; A306-V310 PolarHBondContact O-N 3.49Å; A306-V310 VanDerWaalsContact O-N 3.14Å; L307-V310 PolarHBondContact O-N 3.27Å; E308-V310 VanDerWaalsContact C-N 3.3Å; E308-V310 PolarHBondContact O-N 2.68Å; V310-K312 VanDerWaalsContact C-N 3.32Å; V310-K312 PolarHBondContact O-N 2.85Å; V310-R313 PolarHBondContact O-N 3.25Å; V310-R313 VanDerWaalsContact O-N 3.14Å; V310-E314 PolarHBondContact O-N 3.15Å
311S72.5Confident67.5Low56 Ų5658.5 Ų58.539%0.39228%0.284SS..Hα-helixtrans-60.2-40.9179.5-700000112.2L307 R313 E314 E315L307-S311 PolarHBondContact O-N 3.38Å; L307-S311 PolarHBondContact O-OG 3.49Å; S311-R313 VanDerWaalsContact C-N 3.31Å; S311-R313 PolarHBondContact O-N 2.82Å; S311-E314 PolarHBondContact O-N 3.09Å; S311-E314 VanDerWaalsContact O-N 3.15Å; S311-E315 PolarHBondContact O-N 2.98Å
312K77.3Confident66.7Low120 Ų12063.3 Ų63.352%0.52230%0.302SS..Hα-helixtrans-62.4-35.7177-79.8175.9169.1173.70112.9E308 V310 Q316E308-K312 HydrophobicContact CG-CD 4.45Å; E308-K312 WeakPolarHBondContact O-CB 3.49Å; E308-K312 WeakPolarHBondContact O-CG 3.17Å; E308-K312 PolarHBondContact O-N 3.33Å; E308-K312 WeakPolarHBondContact OE1-CE 3.32Å; E308-K312 IonicContact OE1-NZ 3.5Å; E308-K312 PolarHBondContact OE1-NZ 3.09Å; V310-K312 VanDerWaalsContact C-N 3.32Å; V310-K312 PolarHBondContact O-N 2.85Å; K312-Q316 WeakPolarHBondContact O-CB 3.28Å; K312-Q316 PolarHBondContact O-N 3.24Å; K312-Q316 VanDerWaalsContact O-N 3.14Å
313R73.1Confident65.8Low44 Ų4467.3 Ų67.317%0.16633%0.327CS..Hα-helixtrans-73.3-36.2171.6-77.1-156.3170.882.822.2113.3Y223 E255 I309 V310 S311 Q316 I317Y223-R313 WeakPolarHBondContact OH-CB 3.33Å; E255-R313 IonicContact OE1-NH2 3.02Å; E255-R313 IonicContact OE2-CZ 2.69Å; E255-R313 IonicContact OE2-NH1 3.99Å; E255-R313 PolarHBondContact OE2-NH1 3.14Å; E255-R313 IonicContact OE2-NH2 2.8Å; E255-R313 PolarHBondContact OE2-NH2 3.05Å; I309-R313 PolarHBondContact O-N 3.48Å; V310-R313 PolarHBondContact O-N 3.25Å; V310-R313 VanDerWaalsContact O-N 3.14Å; S311-R313 VanDerWaalsContact C-N 3.31Å; S311-R313 PolarHBondContact O-N 2.82Å; R313-Q316 PolarHBondContact O-N 3.11Å; R313-I317 WeakPolarHBondContact O-CG1 3.48Å; R313-I317 PolarHBondContact O-N 3.35Å
314E68.8Low64.3Low42 Ų4272.5 Ų72.520%0.19635%0.351CS..Hα-helixtrans-66.3-39.1178-165.9153.2-114.100111.5Y223 R226 V310 S311 Q318Y223-E314 HydrophobicContact CD2-CB 4.28Å; Y223-E314 HydrophobicContact CE2-CB 4.11Å; R226-E314 IonicContact CZ-OE1 3.15Å; R226-E314 IonicContact CZ-OE2 2.7Å; R226-E314 IonicContact NE-OE1 3.25Å; R226-E314 PolarHBondContact NE-OE1 2.78Å; R226-E314 IonicContact NH2-OE1 2.81Å; R226-E314 PolarHBondContact NH2-OE1 3.01Å; R226-E314 IonicContact NH2-OE2 3.77Å; R226-E314 PolarHBondContact NH2-OE2 2.98Å; V310-E314 PolarHBondContact O-N 3.15Å; S311-E314 PolarHBondContact O-N 3.09Å; S311-E314 VanDerWaalsContact O-N 3.15Å; E314-Q318 VanDerWaalsContact O-CG 3.24Å; E314-Q318 WeakPolarHBondContact O-CG 3.21Å; E314-Q318 PolarHBondContact O-N 3.1Å; E314-Q318 VanDerWaalsContact O-N 3.1Å
315E71.9Confident62.9Low102 Ų10274.7 Ų74.748%0.47736%0.362SS..Hα-helixtrans-63-40.6167.8-74.5-174.7-154.400113.2S311 Q318 R319S311-E315 PolarHBondContact O-N 2.98Å; E315-Q318 PolarHBondContact O-N 3.19Å; E315-R319 WeakPolarHBondContact O-CG 3.41Å; E315-R319 PolarHBondContact O-N 3.38Å; E315-R319 IonicContact OE2-CZ 3.22Å; E315-R319 IonicContact OE2-NH2 3.63Å; E315-R319 PolarHBondContact OE2-NH2 3.28Å
316Q67.3Low61.1Low96 Ų9677.4 Ų77.445%0.44939%0.386SS..Hα-helixtrans-65.5-44.8-179.4179170.3-14.500111.3K312 R313 Q318 R319 E320K312-Q316 WeakPolarHBondContact O-CB 3.28Å; K312-Q316 PolarHBondContact O-N 3.24Å; K312-Q316 VanDerWaalsContact O-N 3.14Å; R313-Q316 PolarHBondContact O-N 3.11Å; Q316-Q318 VanDerWaalsContact C-N 3.3Å; Q316-Q318 PolarHBondContact O-N 3.06Å; Q316-R319 WeakPolarHBondContact O-CB 3.29Å; Q316-R319 PolarHBondContact O-N 3.44Å; Q316-R319 VanDerWaalsContact O-N 3.08Å; Q316-E320 HydrophobicContact CG-CG 4.48Å; Q316-E320 VanDerWaalsContact CG-OE1 3.25Å; Q316-E320 WeakPolarHBondContact CG-OE1 3.36Å; Q316-E320 PolarHBondContact NE2-OE1 2.87Å; Q316-E320 WeakPolarHBondContact O-CG 3.32Å; Q316-E320 PolarHBondContact O-N 3.31Å
317I61.9Low59.3Low45 Ų4582.5 Ų82.523%0.23142%0.418CS..Hα-helixtrans-60.5-41.1174.8-67.8163.8000110.4R313 R319 E320 I321R313-I317 WeakPolarHBondContact O-CG1 3.48Å; R313-I317 PolarHBondContact O-N 3.35Å; I317-R319 VanDerWaalsContact C-N 3.32Å; I317-R319 PolarHBondContact O-N 2.83Å; I317-E320 PolarHBondContact O-N 3.49Å; I317-I321 HydrophobicContact CG2-CD1 3.81Å; I317-I321 HydrophobicContact CG2-CG1 4.48Å; I317-I321 WeakPolarHBondContact O-CB 3.41Å; I317-I321 VanDerWaalsContact O-CG1 3.28Å; I317-I321 WeakPolarHBondContact O-CG1 3.39Å; I317-I321 PolarHBondContact O-N 2.79Å
318Q60.4Low57.3Low123 Ų12390.1 Ų90.158%0.57545%0.452SS*.Hα-helixtrans-64.8-33.2174.6-72.5171.817.200113.1E314 E315 Q316 K322E314-Q318 VanDerWaalsContact O-CG 3.24Å; E314-Q318 WeakPolarHBondContact O-CG 3.21Å; E314-Q318 PolarHBondContact O-N 3.1Å; E314-Q318 VanDerWaalsContact O-N 3.1Å; E315-Q318 PolarHBondContact O-N 3.19Å; Q316-Q318 VanDerWaalsContact C-N 3.3Å; Q316-Q318 PolarHBondContact O-N 3.06Å; Q318-K322 WeakPolarHBondContact O-CB 3.26Å; Q318-K322 PolarHBondContact O-N 3.13Å
319R63.5Low54.8Low139 Ų13990.8 Ų90.853%0.52547%0.466SS..Hα-helixtrans-72-40.2173.7-75.3-179.1-111.9137.9-8.6112.1E315 Q316 I317 K322 V323E315-R319 WeakPolarHBondContact O-CG 3.41Å; E315-R319 PolarHBondContact O-N 3.38Å; E315-R319 IonicContact OE2-CZ 3.22Å; E315-R319 IonicContact OE2-NH2 3.63Å; E315-R319 PolarHBondContact OE2-NH2 3.28Å; Q316-R319 WeakPolarHBondContact O-CB 3.29Å; Q316-R319 PolarHBondContact O-N 3.44Å; Q316-R319 VanDerWaalsContact O-N 3.08Å; I317-R319 VanDerWaalsContact C-N 3.32Å; I317-R319 PolarHBondContact O-N 2.83Å; R319-K322 PolarHBondContact O-N 2.84Å; R319-V323 PolarHBondContact O-N 3.45Å
320E48.9Very low52.2Low96 Ų9696.6 Ų96.645%0.44951%0.507SS..Hα-helixtrans-65.2-45.7177-72.8166-171.700111.5Q316 I317 K322 V323 E324Q316-E320 HydrophobicContact CG-CG 4.48Å; Q316-E320 VanDerWaalsContact CG-OE1 3.25Å; Q316-E320 WeakPolarHBondContact CG-OE1 3.36Å; Q316-E320 PolarHBondContact NE2-OE1 2.87Å; Q316-E320 WeakPolarHBondContact O-CG 3.32Å; Q316-E320 PolarHBondContact O-N 3.31Å; I317-E320 PolarHBondContact O-N 3.49Å; E320-K322 PolarHBondContact O-N 2.9Å; E320-V323 PolarHBondContact O-N 2.87Å; E320-E324 PolarHBondContact O-N 2.89Å
321I51.3Low50Low73 Ų73101.4 Ų101.437%0.37454%0.541SS..Hα-helixtrans-57.6-35.7172.5-69.4166.9000111.5I317 V323 V325I317-I321 HydrophobicContact CG2-CD1 3.81Å; I317-I321 HydrophobicContact CG2-CG1 4.48Å; I317-I321 WeakPolarHBondContact O-CB 3.41Å; I317-I321 VanDerWaalsContact O-CG1 3.28Å; I317-I321 WeakPolarHBondContact O-CG1 3.39Å; I317-I321 PolarHBondContact O-N 2.79Å; I321-V323 PolarHBondContact O-N 2.61Å; I321-V325 WeakPolarHBondContact O-CG2 3.26Å; I321-V325 PolarHBondContact O-N 3.36Å
322K42.3Very low48Very low169 Ų169106.4 Ų106.474%0.73556%0.563SS**Hα-helixtrans-74.7-9178.1-158.3168.9-174.9177.20113.9Q318 R319 E320Q318-K322 WeakPolarHBondContact O-CB 3.26Å; Q318-K322 PolarHBondContact O-N 3.13Å; R319-K322 PolarHBondContact O-N 2.84Å; E320-K322 PolarHBondContact O-N 2.9Å
323V44.8Very low45.8Very low95 Ų95105.8 Ų105.858%0.57657%0.574SS**Hα-helixtrans-100.1-39.2172.4175.10000111.4R319 E320 I321 V325 A326 T327R319-V323 PolarHBondContact O-N 3.45Å; E320-V323 PolarHBondContact O-N 2.87Å; I321-V323 PolarHBondContact O-N 2.61Å; V323-V325 VanDerWaalsContact C-N 3.3Å; V323-V325 PolarHBondContact O-N 3.46Å; V323-A326 PolarHBondContact O-N 2.97Å; V323-T327 PolarHBondContact O-OG1 3.15Å
324E35.7Very low43.7Very low112 Ų112108.5 Ų108.552%0.52360%0.6SS.*Hα-helixtrans-58.9-40.9174-67.3-174.6135.100111K234 E320 A326 T327K234-E324 IonicContact NZ-OE1 3.37Å; K234-E324 IonicContact NZ-OE2 3.75Å; K234-E324 PolarHBondContact NZ-OE2 3.14Å; E320-E324 PolarHBondContact O-N 2.89Å; E324-A326 PolarHBondContact O-N 3.46Å; E324-T327 PolarHBondContact O-N 3.01Å; E324-T327 PolarHBondContact O-OG1 2.91Å
325V39.3Very low41.9Very low117 Ų117113.5 Ų113.571%0.70963%0.628SS**THydrogen-bonded Turntrans-69.2-13.3176.91750000113.6I321 V323I321-V325 WeakPolarHBondContact O-CG2 3.26Å; I321-V325 PolarHBondContact O-N 3.36Å; V323-V325 VanDerWaalsContact C-N 3.3Å; V323-V325 PolarHBondContact O-N 3.46Å
326A34.4Very low39.9Very low74 Ų74113.4 Ų113.461%0.61264%0.638SS**THydrogen-bonded Turntrans-95.91.1-178.600000114.4V323 E324V323-A326 PolarHBondContact O-N 2.97Å; E324-A326 PolarHBondContact O-N 3.46Å
327T30.3Very low38.1Very low109 Ų109114 Ų11467%0.66966%0.66SS**SBendtrans-122.3-3.1-170.536.10000116.3V323 E324V323-T327 PolarHBondContact O-OG1 3.15Å; E324-T327 PolarHBondContact O-N 3.01Å; E324-T327 PolarHBondContact O-OG1 2.91Å
328E27.5Very low36.6Very low188 Ų188115.3 Ų115.388%0.87968%0.684SS**SBendtrans-10838.8175.5-66.6-160.4147.100114.4
329S25.9Very low35.1Very low95 Ų95115.6 Ų115.666%0.66470%0.695SS**  trans-157.970.5174.752.50000116.3
330S25.2Very low33.4Very low130 Ų130116.3 Ų116.391%0.90971%0.708SS**  trans-166.3103.4155.3-87.60000113.8
331S28Very low32.6Very low105 Ų105119.8 Ų119.873%0.73472%0.724SS**  trans-156.4110.3158.362.30000111
332N31Very low31.7Very low160 Ų160122.7 Ų122.786%0.85674%0.74SS**  trans66.7141.2175.1-47.4-22.2000115.6
333S31.3Very low31.4Very low107 Ų107122 Ų12275%0.74874%0.737SS**  cis-161.5162.1-18.745.70000109.2
334S27.3Very low30.8Very low102 Ų102122.5 Ų122.571%0.71374%0.737SS**  trans-40140.1170.4490000114.9
335D31.8Very low30.7Very low147 Ų147125 Ų12579%0.78675%0.753SS**  -162.1-176.388.4-128.7-50000115.2
336S30.1Very low30.4Very low99 Ų99126.3 Ų126.369%0.69275%0.75SS**  trans-95149.1-148.1-54.30000117.3
337A29.9Very low30.1Very low108 Ų108129.6 Ų129.689%0.89375%0.753SS**  trans57.7131.1143.600000121.5
338G28.9Very low30.2Very low73 Ų73130.7 Ų130.775%0.75375%0.754SS**  trans168.16917100000116.6
339V30.4Very low30.3Very low130 Ų130125.9 Ų125.979%0.78874%0.741SS**  trans15107.6142.4173.90000116.1
340L27.3Very low30.5Very low153 Ų153129 Ų12980%0.80175%0.751SS**  57120.578.5-73.9171.8000115.4
341E31.6Very low30.6Very low170 Ų170127.7 Ų127.779%0.79474%0.742SS**  trans-179.3152.3135-97.1-161.6-156.900108.8
342D32.3Very low31Very low133 Ų133127.9 Ų127.971%0.71174%0.74SS**  cis-167.6-171.4-43.1-143.3-31.7000109.7
343K36Very low30.9Very low155 Ų155128 Ų12867%0.67474%0.735SS**  trans84.8138.2156.1-47.6-159.9171.4158.90118.3
344D33.2Very low30.8Very low105 Ų105128.4 Ų128.456%0.56173%0.733SS**  cis-158.2147.7-11-119.5-40000111.4
345N32.9Very low30.9Very low164 Ų164131.3 Ų131.388%0.87773%0.733SS**  -175113.1126.4-97-29.6000113.3
346K32.4Very low30.6Very low145 Ų145134.6 Ų134.663%0.6374%0.736SS**  trans-68.4178.6163.1-70.9165.3149.6-73.40111.6
347E30Very low30.3Very low144 Ų144138 Ų13867%0.67374%0.74SS**  cis-167179-19-99.8158.8178.700105.4
348D32Very low30.6Very low132 Ų132137.8 Ų137.871%0.70673%0.73SS**  cis-147.4170.713.5-161.516.3000113.8
349S29.7Very low30.4Very low86 Ų86140.9 Ų140.960%0.60173%0.734SS**  trans-60.1149.6174.1-41.40000118.6
350N28.9Very low30.3Very low162 Ų162138.6 Ų138.687%0.86673%0.729SS**  178.6161.6117.6-101-64.3000114.6
351S28.7Very low30.2Very low102 Ų102136.9 Ų136.971%0.71373%0.729SS**  trans-154.5157.7173.4-177.60000108.9
352P35.5Very low30.1Very low108 Ų108135.6 Ų135.670%0.70173%0.733SS**  -156.3176.4112.141.8-24.5000117.1
353E28Very low29.9Very low163 Ų163137.5 Ų137.576%0.76274%0.738SS**  trans66.6142.1161.4-68.7-159.3110.600118.4
354V30.1Very low29.9Very low116 Ų116136 Ų13670%0.70374%0.744SS**  cis-137.6133.115175.40000112.6
355K28.4Very low29.8Very low163 Ų163135.9 Ų135.971%0.70975%0.751SS**  trans16.4149.3141.2-45.9178.3-176.1167.30121.3
356Y26Very low29.7Very low215 Ų215136.8 Ų136.884%0.84375%0.75SS**  cis-167.3169.3-18.7-119.8-79.2000110.7
357H23.8Very low29.5Very low170 Ų170134 Ų13479%0.78775%0.749SS**  trans-75-168.5179.5-73.7-88.5000116.3
358P37.3Very low29.7Very low105 Ų105133.3 Ų133.368%0.68275%0.75SS**  -142.7-173-61.942-23000117.2
359V24.1Very low29.7Very low138 Ų138131.7 Ų131.784%0.83675%0.745SS**  trans73.4144.1158.8-125.90000124.3
360A27.6Very low29.8Very low81 Ų81136 Ų13667%0.66975%0.753SS**  trans96.288.8139.700000123.3
361S25.1Very low30Very low117 Ų117134.2 Ų134.282%0.81875%0.748SS**  60.8142.7121.4-49.50000125.7
362V29.7Very low30.2Very low143 Ų143137.5 Ų137.587%0.86775%0.749SS**  trans100.1130.1155.7-166.20000119.7
363E27.7Very low30.2Very low173 Ų173137.8 Ų137.881%0.80874%0.744SS**  trans-47.7-179.7173.2-68.4179.5-173.500119.9
364P36.9Very low30.5Very low124 Ų124136.4 Ų136.481%0.80574%0.742SS**  cis-130-141.2-17.626.6-1.5000113.8
365S30.1Very low30.7Very low103 Ų103137.9 Ų137.972%0.7274%0.741SS**  trans-132.5-178-157.155.30000117.3
366E31.8Very low31.1Very low182 Ų182136.9 Ų136.985%0.8574%0.737SS**  trans83.8149168.6-59.3-174171.400117.8
367S28.2Very low31.4Very low88 Ų88131.9 Ų131.962%0.61573%0.728SS**  cis-170.9-175.1-1857.60000112.4
368D34.1Very low31.8Very low128 Ų128130.3 Ų130.368%0.68473%0.726SS**  trans74156.9151.8-77.5-72.7000123.6
369T32.1Very low31.6Very low99 Ų99131.9 Ų131.961%0.60773%0.728SS**  cis-165.2166.3-43.622.90000114.3
370K32.6Very low31.9Very low177 Ų177133.4 Ų133.477%0.7773%0.726SS**  trans72.1158.6145.8-78158.8-175.6158.20119.6
371T32.3Very low31.9Very low123 Ų123134.9 Ų134.976%0.75573%0.731SS**  cis-137.5-1505.8-21.30000109.9
372K33.7Very low32.4Very low171 Ų171136.9 Ų136.974%0.74373%0.733SS**  cis-166.3-177.30.6-118.8-150.8178.5-158.10105.3
373I35.2Very low32.4Very low115 Ų115134.1 Ų134.159%0.5973%0.725SS**  cis168.1142-34.3-98.2-169.2000105.2
374D33Very low32.8Very low133 Ų133132.1 Ų132.171%0.71173%0.727SS**  cis-153.6-155-17.5-75.5-36000105.6
375E35.3Very low32.6Very low147 Ų147134.7 Ų134.769%0.68773%0.728SS**  cis-166.3169.56-148.7-153.6168.100111.9
376K36.1Very low32.9Very low143 Ų143134.7 Ų134.762%0.62273%0.726SS**  trans71.2117.1148.7-97.6-170.1-168.171.40126.4
377T32.8Very low32.9Very low109 Ų109132.6 Ų132.667%0.66973%0.726SS**  trans65.1146.2133.350.50000121.4
378D32.4Very low32.9Very low138 Ų138132 Ų13274%0.73873%0.733SS**  cis-164.1169.52.9-122.3-26.7000115.1
379L33.7Very low32.5Very low138 Ų138130.8 Ų130.872%0.72374%0.735SS**  trans74.6120.4153.6-68.4165.9000125.9
380E30Very low32.4Very low169 Ų169133.5 Ų133.579%0.7975%0.746SS**  trans64.6142.6131.8-72-172.8135.700127.7
381S27.4Very low32.2Very low112 Ų112132.1 Ų132.178%0.78374%0.742SS**  trans58.4152.1162.555.30000119.8
382D36Very low32Very low160 Ų160136.1 Ų136.186%0.85675%0.749SS**  cis-145.4172.915.2-137.3-18.8000112.7
383A29.4Very low31.8Very low85 Ų85135.5 Ų135.570%0.70275%0.746SS**  trans-144.9143.8173.100000113
384P35Very low31.4Very low130 Ų130136.7 Ų136.784%0.84476%0.759SS**  trans-130.6113.8161.635.2-20000114.1
385E32.6Very low31.3Very low179 Ų179138 Ų13884%0.83677%0.766SS**  trans-100156.1137.6-117.3-163-126.200106.5
386P36.9Very low31Very low103 Ų103135.3 Ų135.367%0.66977%0.769SS**  -156.3-17062.236.2-11.6000117.6
387T31.3Very low30.8Very low138 Ų138137.7 Ų137.785%0.84778%0.782SS**  trans95.4134.4158.9740000118
388G29Very low30.6Very low75 Ų75137.2 Ų137.277%0.77379%0.789SS**  trans139.670.1172.300000116
389S25.9Very low30.7Very low103 Ų103135.7 Ų135.772%0.7279%0.79SS**  trans-20.2144164.451.10000121.3
390D28.9Very low30.7Very low155 Ų155140.9 Ų140.983%0.82980%0.8SS**  trans90.8150.3141.3-63.3-29.6000123.9
391E28.7Very low31Very low148 Ų148138.8 Ų138.869%0.69279%0.79SS**  trans43.595.2172.4-62.7-139.3152.600120.6K393E391-K393 VanDerWaalsContact CD-NZ 3.25Å; E391-K393 IonicContact OE1-NZ 3.82Å; E391-K393 PolarHBondContact OE1-NZ 3.18Å; E391-K393 IonicContact OE2-NZ 3.17Å; E391-K393 PolarHBondContact OE2-NZ 3.04Å
392K28.8Very low31.8Very low208 Ų208135.8 Ų135.890%0.90477%0.768SS**  trans-11398.3143.3-92.1-176.2176.3173.50111T394K392-T394 PolarHBondContact O-N 3.29Å
393K30.2Very low32.4Very low158 Ų158131.1 Ų131.169%0.68774%0.742SS**  trans-72.1111.2160.4-68.8-172.9177.685.90108.2E391 D395E391-K393 VanDerWaalsContact CD-NZ 3.25Å; E391-K393 IonicContact OE1-NZ 3.82Å; E391-K393 PolarHBondContact OE1-NZ 3.18Å; E391-K393 IonicContact OE2-NZ 3.17Å; E391-K393 PolarHBondContact OE2-NZ 3.04Å; K393-D395 PolarHBondContact O-N 3.36Å
394T26.6Very low33.9Very low139 Ų139131.2 Ų131.285%0.85372%0.724SS**  trans-80.7102.5165.547.10000108.6K392K392-T394 PolarHBondContact O-N 3.29Å
395D29.7Very low35.7Very low160 Ų160127.9 Ų127.986%0.85670%0.695SS**  trans-96.3136.7170.9-138.6-33.5000110.3K393K393-D395 PolarHBondContact O-N 3.36Å
396A29.3Very low38.2Very low91 Ų91124.4 Ų124.475%0.75267%0.674SS**  trans-111.1105.8-163.600000111.9
397Q31.6Very low40.5Very low193 Ų193123.1 Ų123.190%0.90266%0.661SS**  trans-108.581.6165-69.9-164.2-2.600110.9S399Q397-S399 PolarHBondContact O-N 3.09Å; Q397-S399 VanDerWaalsContact O-N 3.1Å
398A29.4Very low43.3Very low99 Ų99117.5 Ų117.582%0.81862%0.624SS**  trans-65.1105.4159.600000108.3
399S34.7Very low46.3Very low107 Ų107120.8 Ų120.875%0.74861%0.614SS**  trans-59.8142.117249.10000109.7Q397 E401Q397-S399 PolarHBondContact O-N 3.09Å; Q397-S399 VanDerWaalsContact O-N 3.1Å; S399-E401 VanDerWaalsContact C-N 3.34Å; S399-E401 PolarHBondContact O-N 2.67Å
400R34Very low49.3Very low247 Ų247117.6 Ų117.693%0.93259%0.592SS**  trans-72.293176.4-78.1-176.7169.8-169-4.9109
401E35.8Very low52.3Low124 Ų124114.8 Ų114.858%0.57958%0.577SS**PPolyproline II helixtrans-54.7137.6170.4-120.1-139.812900109.9S399 R404S399-E401 VanDerWaalsContact C-N 3.34Å; S399-E401 PolarHBondContact O-N 2.67Å; E401-R404 IonicContact OE1-CZ 2.68Å; E401-R404 IonicContact OE1-NE 3.73Å; E401-R404 PolarHBondContact OE1-NE 2.98Å; E401-R404 IonicContact OE1-NH2 2.71Å; E401-R404 PolarHBondContact OE1-NH2 3.28Å
402P44Very low55.4Low49 Ų49109.1 Ų109.132%0.31855%0.55SS.*PPolyproline II helixtrans-89.7137.3-171.243.1-40.8000109Q270 R404Q270-P402 HydrophobicContact CB-CB 3.46Å; Q270-P402 VanDerWaalsContact CB-CB 3.46Å; Q270-P402 HydrophobicContact CB-CG 4.01Å; Q270-P402 HydrophobicContact CG-CB 4.1Å; P402-R404 VanDerWaalsContact O-CG 3.31Å; P402-R404 WeakPolarHBondContact O-CG 3.38Å
403I49.9Very low58.6Low63 Ų6399.3 Ų99.332%0.32351%0.508SS..PPolyproline II helixtrans-57.7146.2-167.4-45.9178.8000110.4P268 L269 Q270 K614P268-I403 HydrophobicContact CB-CB 4.1Å; P268-I403 HydrophobicContact CB-CD1 4.21Å; P268-I403 HydrophobicContact CB-CG2 4.12Å; P268-I403 HydrophobicContact CG-CD1 4.29Å; P268-I403 CarbonylContact O-C 3.6Å; P268-I403 WeakPolarHBondContact O-CB 3.39Å; P268-I403 WeakPolarHBondContact O-CG2 3.42Å; L269-I403 CarbonylContact C-O 3.52Å; L269-I403 VanDerWaalsContact C-O 3.23Å; L269-I403 WeakPolarHBondContact CA-O 3.27Å; Q270-I403 WeakPolarHBondContact CB-O 3.39Å; Q270-I403 PolarHBondContact N-O 3.46Å; I403-K614 WeakPolarHBondContact CG2-O 3.25Å
404R59.9Low61.7Low86 Ų8694.2 Ų94.233%0.32549%0.488SS..BIsolated β-bridgetrans-126.468.3-169.5-56.1-164.6-169.2-145.510.7118.8P268 L269 E401 P402 R406 H615 C616P268-R404 CarbonylContact O-C 3.56Å; P268-R404 PolarHBondContact O-N 2.91Å; L269-R404 HydrophobicContact CD1-CB 4.06Å; E401-R404 IonicContact OE1-CZ 2.68Å; E401-R404 IonicContact OE1-NE 3.73Å; E401-R404 PolarHBondContact OE1-NE 2.98Å; E401-R404 IonicContact OE1-NH2 2.71Å; E401-R404 PolarHBondContact OE1-NH2 3.28Å; P402-R404 VanDerWaalsContact O-CG 3.31Å; P402-R404 WeakPolarHBondContact O-CG 3.38Å; R404-R406 PolarHBondContact O-N 2.68Å; R404-H615 CarbonylContact C-O 3.56Å; R404-H615 VanDerWaalsContact C-O 3.28Å; R404-H615 WeakPolarHBondContact CA-O 3.13Å; R404-H615 PolarHBondContact N-O 2.84Å; R404-H615 VanDerWaalsContact O-O 3.09Å; R404-C616 CarbonylContact O-C 3.52Å; R404-C616 VanDerWaalsContact O-CA 3.24Å; R404-C616 WeakPolarHBondContact O-CA 3.39Å
405R72Confident65Low61 Ų6194.4 Ų94.423%0.2348%0.479CS..  trans-41.7107163.1-64.1160.3-175.4142.51.3112.5R263 C266 P267 P268 L269 I407 G617R263-R405 PolarHBondContact O-NH2 2.74Å; C266-R405 VanDerWaalsContact C-NE 3.32Å; C266-R405 HydrophobicContact CB-CG 3.93Å; C266-R405 VanDerWaalsContact CB-NE 3.25Å; C266-R405 PolarHBondContact O-NE 3.34Å; C266-R405 PolarHBondContact O-NH2 3.42Å; P267-R405 WeakPolarHBondContact O-CG 3.38Å; P268-R405 VanDerWaalsContact C-CG 3.41Å; P268-R405 VanDerWaalsContact C-N 3.3Å; P268-R405 PolarHBondContact O-N 3.24Å; L269-R405 HydrophobicContact CB-CB 3.55Å; L269-R405 HydrophobicContact CB-CG 4.31Å; L269-R405 VanDerWaalsContact CB-O 3.25Å; L269-R405 WeakPolarHBondContact CB-O 3.36Å; L269-R405 WeakPolarHBondContact CD1-O 3.42Å; R405-I407 PolarHBondContact O-N 3.28Å; R405-G617 VanDerWaalsContact CA-CA 3.42Å
406R86.1Confident68.1Low105 Ų10589.5 Ų89.540%0.39645%0.451SS..  trans-44109.8172.2173.858.8167.9-140.3-4.5110.7R404 W408 E412 C616R404-R406 PolarHBondContact O-N 2.68Å; R406-W408 HydrophobicContact CB-CZ2 4.26Å; R406-W408 HydrophobicContact CG-CD2 3.82Å; R406-W408 HydrophobicContact CG-CE3 3.86Å; R406-W408 HydrophobicContact CG-CH2 3.72Å; R406-W408 HydrophobicContact CG-CZ2 3.64Å; R406-W408 HydrophobicContact CG-CZ3 3.81Å; R406-E412 IonicContact CZ-OE1 2.69Å; R406-E412 IonicContact NE-OE1 3.77Å; R406-E412 IonicContact NE-OE2 2.99Å; R406-E412 IonicContact NH2-OE1 3.3Å; R406-E412 PolarHBondContact NH2-OE1 2.62Å; R406-E412 IonicContact NH2-OE2 3.91Å; R406-E412 PolarHBondContact NH2-OE2 3.18Å; R406-C616 VanDerWaalsContact CB-O 3.26Å; R406-C616 WeakPolarHBondContact CB-O 3.24Å; R406-C616 PolarHBondContact N-O 2.76Å
407I85.8Confident71.3Confident77 Ų7785.1 Ų85.140%0.39542%0.415SS..PPolyproline II helixtrans-69.8132.5165.3-69.9171.2000106.4L269 R405 Y409L269-I407 HydrophobicContact CD1-CG1 4.37Å; L269-I407 HydrophobicContact CD2-CD1 3.69Å; L269-I407 HydrophobicContact CD2-CG1 4.08Å; R405-I407 PolarHBondContact O-N 3.28Å; I407-Y409 HydrophobicContact CG2-CE1 4.19Å
408W89.7Confident74.4Confident19 Ų1977.7 Ų77.77%0.07238%0.381CS..PPolyproline II helixtrans-99.5128.8172.8-55.3105.5000108.9R406 E412 L413 D471 P472 L518 F520 R618R406-W408 HydrophobicContact CB-CZ2 4.26Å; R406-W408 HydrophobicContact CG-CD2 3.82Å; R406-W408 HydrophobicContact CG-CE3 3.86Å; R406-W408 HydrophobicContact CG-CH2 3.72Å; R406-W408 HydrophobicContact CG-CZ2 3.64Å; R406-W408 HydrophobicContact CG-CZ3 3.81Å; W408-E412 WeakPolarHBondContact CZ3-OE1 3.49Å; W408-L413 HydrophobicContact CB-CD1 4.35Å; W408-L413 HydrophobicContact CB-CD2 3.96Å; W408-L413 HydrophobicContact CB-CG 4.2Å; W408-L413 HydrophobicContact CG-CD2 4.38Å; W408-D471 PolarHBondContact NE1-OD2 3.41Å; W408-P472 HydrophobicContact CD2-CG 3.72Å; W408-P472 VanDerWaalsContact CE2-CD 3.42Å; W408-P472 HydrophobicContact CE3-CG 4.06Å; W408-P472 HydrophobicContact CG-CG 4.13Å; W408-P472 HydrophobicContact CH2-CG 4.25Å; W408-P472 HydrophobicContact CZ2-CG 3.95Å; W408-P472 HydrophobicContact CZ3-CG 4.32Å; W408-L518 HydrophobicContact CH2-CB 4.05Å; W408-L518 HydrophobicContact CH2-CD2 4.47Å; W408-L518 WeakPolarHBondContact CH2-O 3.28Å; W408-L518 HydrophobicContact CZ3-CB 4.31Å; W408-L518 HydrophobicContact CZ3-CD2 3.88Å; W408-F520 AromaticContact CH2-CE2 3.87Å; W408-F520 HydrophobicContact CH2-CE2 3.87Å; W408-F520 HydrophobicContact CH2-CZ 4.17Å; W408-F520 HydrophobicContact CZ2-CE1 4.39Å; W408-F520 AromaticContact CZ2-CE2 3.57Å; W408-F520 HydrophobicContact CZ2-CE2 3.57Å; W408-F520 AromaticContact CZ2-CZ 3.4Å; W408-F520 HydrophobicContact CZ2-CZ 3.4Å; W408-R618 HydrophobicContact CZ2-CG 4.27Å
409Y90.5Very high77.7Confident144 Ų14476.7 Ų76.757%0.56537%0.366SS*.PPolyproline II helixtrans-89.2138.5174.8-60.8-76.8000109.1I407 N411 E412 L413I407-Y409 HydrophobicContact CG2-CE1 4.19Å; Y409-N411 PolarHBondContact O-N 3.18Å; Y409-E412 WeakPolarHBondContact O-CA 3.37Å; Y409-E412 VanDerWaalsContact O-CB 3.29Å; Y409-E412 WeakPolarHBondContact O-CB 3.49Å; Y409-E412 PolarHBondContact O-N 3.18Å; Y409-L413 PolarHBondContact O-N 2.88Å; Y409-L413 VanDerWaalsContact O-N 3.1Å
410S90.4Very high80.6Confident37 Ų3771.8 Ų71.826%0.25933%0.332SS..Hα-helixtrans-57.4-28.7-176.7-40.80000113.1L413 L414S410-L413 PolarHBondContact O-N 3.48Å; S410-L414 VanDerWaalsContact O-CB 3.29Å; S410-L414 WeakPolarHBondContact O-CB 3.47Å; S410-L414 PolarHBondContact O-N 2.89Å
411N91Very high83.6Confident95 Ų9560 Ų6051%0.50829%0.287SS..Hα-helixtrans-67.5-37173.4-64.4-1.4000112.7Y409 Q415Y409-N411 PolarHBondContact O-N 3.18Å; N411-Q415 VanDerWaalsContact O-CB 3.27Å; N411-Q415 WeakPolarHBondContact O-CB 3.32Å; N411-Q415 PolarHBondContact O-N 2.74Å
412E94.1Very high86.5Confident29 Ų2957.3 Ų57.314%0.13628%0.277CS..Hα-helixtrans-67.4-43.9174.9-177.4-176.6-174.400110.1R406 W408 Y409 Q415 H416R406-E412 IonicContact CZ-OE1 2.69Å; R406-E412 IonicContact NE-OE1 3.77Å; R406-E412 IonicContact NE-OE2 2.99Å; R406-E412 IonicContact NH2-OE1 3.3Å; R406-E412 PolarHBondContact NH2-OE1 2.62Å; R406-E412 IonicContact NH2-OE2 3.91Å; R406-E412 PolarHBondContact NH2-OE2 3.18Å; W408-E412 WeakPolarHBondContact CZ3-OE1 3.49Å; Y409-E412 WeakPolarHBondContact O-CA 3.37Å; Y409-E412 VanDerWaalsContact O-CB 3.29Å; Y409-E412 WeakPolarHBondContact O-CB 3.49Å; Y409-E412 PolarHBondContact O-N 3.18Å; E412-Q415 PolarHBondContact O-N 3.13Å; E412-H416 PolarHBondContact O-CD2 2.83Å; E412-H416 PolarHBondContact O-N 2.93Å
413L95.2Very high89Confident3 Ų360.3 Ų60.32%0.01629%0.285CS..Hα-helixtrans-59.7-49.2173.4-60.5-177000111.2W408 Y409 S410 Q415 H416 F417 L464 Y469 P472 I475W408-L413 HydrophobicContact CB-CD1 4.35Å; W408-L413 HydrophobicContact CB-CD2 3.96Å; W408-L413 HydrophobicContact CB-CG 4.2Å; W408-L413 HydrophobicContact CG-CD2 4.38Å; Y409-L413 PolarHBondContact O-N 2.88Å; Y409-L413 VanDerWaalsContact O-N 3.1Å; S410-L413 PolarHBondContact O-N 3.48Å; L413-Q415 PolarHBondContact O-N 3.35Å; L413-H416 PolarHBondContact O-N 3.37Å; L413-F417 WeakPolarHBondContact O-CB 2.99Å; L413-F417 WeakPolarHBondContact O-CD2 3.15Å; L413-F417 PolarHBondContact O-N 3.06Å; L413-L464 HydrophobicContact CB-CD1 4.12Å; L413-Y469 WeakPolarHBondContact CD1-O 3.46Å; L413-P472 HydrophobicContact CD2-CB 4.4Å; L413-P472 HydrophobicContact CD2-CG 3.57Å; L413-I475 HydrophobicContact CB-CD1 4.23Å; L413-I475 HydrophobicContact CD2-CD1 4.32Å
414L95.4Very high91.2Very high50 Ų5057.4 Ų57.426%0.26227%0.27SS..Hα-helixtrans-58.7-46.4177.6-171.670.8000111.6S410 H416 L418 L464 E465S410-L414 VanDerWaalsContact O-CB 3.29Å; S410-L414 WeakPolarHBondContact O-CB 3.47Å; S410-L414 PolarHBondContact O-N 2.89Å; L414-H416 PolarHBondContact O-N 3.38Å; L414-L418 HydrophobicContact CD1-CB 4.12Å; L414-L418 HydrophobicContact CD1-CD2 4.07Å; L414-L418 HydrophobicContact CG-CB 4.48Å; L414-L418 HydrophobicContact CG-CD2 4.41Å; L414-L418 WeakPolarHBondContact O-CB 3.28Å; L414-L418 PolarHBondContact O-N 3.3Å; L414-L464 HydrophobicContact CD1-CD2 4.2Å; L414-L464 HydrophobicContact CD1-CG 3.91Å; L414-E465 HydrophobicContact CD1-CG 4.04Å
415Q95.6Very high93Very high143 Ų14355.1 Ų55.167%0.66827%0.267SS*.Hα-helixtrans-59.6-42.5179.2-178.5178.2400112.7N411 E412 L413 P419N411-Q415 VanDerWaalsContact O-CB 3.27Å; N411-Q415 WeakPolarHBondContact O-CB 3.32Å; N411-Q415 PolarHBondContact O-N 2.74Å; E412-Q415 PolarHBondContact O-N 3.13Å; L413-Q415 PolarHBondContact O-N 3.35Å; Q415-P419 VanDerWaalsContact O-CD 3.29Å; Q415-P419 WeakPolarHBondContact O-CD 3.3Å; Q415-P419 WeakPolarHBondContact O-CG 3.38Å
416H95.6Very high94.1Very high57 Ų5760.6 Ų60.626%0.26429%0.292SS..Hα-helixtrans-83-35.2-178.1-80.5-92000113.7E412 L413 L414 V514 L518E412-H416 PolarHBondContact O-CD2 2.83Å; E412-H416 PolarHBondContact O-N 2.93Å; L413-H416 PolarHBondContact O-N 3.37Å; L414-H416 PolarHBondContact O-N 3.38Å; H416-V514 HydrophobicContact CB-CG1 4.14Å; H416-L518 HydrophobicContact CB-CD1 4.48Å; H416-L518 HydrophobicContact CB-CD2 4.46Å
417F97.3Very high94.6Very high0 Ų058.5 Ų58.50%029%0.287CS..Hα-helixtrans-100.9-27.3-171.3-75-98.3000115.1L413 P419 V420 V421 L464 P472 I475 V476 I511 M515 L518L413-F417 WeakPolarHBondContact O-CB 2.99Å; L413-F417 WeakPolarHBondContact O-CD2 3.15Å; L413-F417 PolarHBondContact O-N 3.06Å; F417-P419 VanDerWaalsContact C-N 3.33Å; F417-V420 WeakPolarHBondContact O-CA 3.29Å; F417-V420 WeakPolarHBondContact O-CB 2.86Å; F417-V420 PolarHBondContact O-N 2.82Å; F417-V421 WeakPolarHBondContact O-CG2 3.3Å; F417-V421 PolarHBondContact O-N 3.49Å; F417-L464 HydrophobicContact CB-CD1 4.23Å; F417-L464 HydrophobicContact CB-CD2 3.68Å; F417-P472 HydrophobicContact CE2-CB 3.81Å; F417-P472 HydrophobicContact CE2-CG 4.41Å; F417-P472 HydrophobicContact CZ-CB 3.74Å; F417-P472 WeakPolarHBondContact CZ-O 3.42Å; F417-I475 HydrophobicContact CB-CD1 4.1Å; F417-I475 HydrophobicContact CB-CG2 4.36Å; F417-I475 HydrophobicContact CD1-CB 3.88Å; F417-I475 HydrophobicContact CD1-CD1 3.84Å; F417-I475 HydrophobicContact CD1-CG1 4.46Å; F417-I475 HydrophobicContact CD1-CG2 3.48Å; F417-I475 VanDerWaalsContact CD1-CG2 3.48Å; F417-I475 HydrophobicContact CD2-CD1 3.56Å; F417-I475 HydrophobicContact CE1-CB 3.85Å; F417-I475 HydrophobicContact CE1-CD1 4.05Å; F417-I475 HydrophobicContact CE1-CG2 3.94Å; F417-I475 HydrophobicContact CE2-CD1 3.81Å; F417-I475 HydrophobicContact CG-CB 4.47Å; F417-I475 HydrophobicContact CG-CD1 3.56Å; F417-I475 HydrophobicContact CG-CG2 4.1Å; F417-I475 HydrophobicContact CZ-CB 4.46Å; F417-I475 HydrophobicContact CZ-CD1 4.04Å; F417-V476 HydrophobicContact CE1-CG2 3.91Å; F417-V476 HydrophobicContact CZ-CG2 4.33Å; F417-I511 HydrophobicContact CD1-CD1 4.27Å; F417-I511 HydrophobicContact CE1-CD1 3.57Å; F417-I511 HydrophobicContact CZ-CD1 4.2Å; F417-M515 HydrophobicContact CZ-SD 3.71Å; F417-L518 HydrophobicContact CE2-CD1 3.76Å; F417-L518 HydrophobicContact CZ-CD1 4.3Å
418L96.6Very high95Very high37 Ų3762.9 Ų62.919%0.19430%0.303CS..Hα-helixtrans-59.8-39176.2-173.763.6000112.1L414 V420 V421 L422 R461 L464L414-L418 HydrophobicContact CD1-CB 4.12Å; L414-L418 HydrophobicContact CD1-CD2 4.07Å; L414-L418 HydrophobicContact CG-CB 4.48Å; L414-L418 HydrophobicContact CG-CD2 4.41Å; L414-L418 WeakPolarHBondContact O-CB 3.28Å; L414-L418 PolarHBondContact O-N 3.3Å; L418-V420 VanDerWaalsContact C-N 3.27Å; L418-V420 PolarHBondContact O-N 3.25Å; L418-V421 PolarHBondContact O-N 2.91Å; L418-L422 HydrophobicContact CD1-CD1 4.25Å; L418-L422 HydrophobicContact CD1-CG 4.12Å; L418-L422 HydrophobicContact CD2-CD1 4.45Å; L418-L422 HydrophobicContact CG-CD1 3.87Å; L418-L422 HydrophobicContact CG-CG 4.2Å; L418-L422 WeakPolarHBondContact O-CB 3.27Å; L418-L422 VanDerWaalsContact O-CG 3.25Å; L418-L422 WeakPolarHBondContact O-CG 3.39Å; L418-L422 PolarHBondContact O-N 3.41Å; L418-R461 HydrophobicContact CD1-CG 4.26Å; L418-L464 HydrophobicContact CB-CD2 4.17Å
419P97.1Very high95.2Very high78 Ų7862.8 Ų62.851%0.50630%0.304SS..Hα-helixtrans-60.6-32.9171.1-24.836000113.8Q415 F417 K423Q415-P419 VanDerWaalsContact O-CD 3.29Å; Q415-P419 WeakPolarHBondContact O-CD 3.3Å; Q415-P419 WeakPolarHBondContact O-CG 3.38Å; F417-P419 VanDerWaalsContact C-N 3.33Å; P419-K423 VanDerWaalsContact O-CB 3.22Å; P419-K423 WeakPolarHBondContact O-CB 3.41Å; P419-K423 PolarHBondContact O-N 3.23Å
420V96.5Very high95.4Very high3 Ų355.9 Ų55.92%0.01828%0.277CS..Hα-helixtrans-68.8-50.7177.1-178.90000110.1F417 L418 L422 K423 I424 F479 F507 I510 V514F417-V420 WeakPolarHBondContact O-CA 3.29Å; F417-V420 WeakPolarHBondContact O-CB 2.86Å; F417-V420 PolarHBondContact O-N 2.82Å; L418-V420 VanDerWaalsContact C-N 3.27Å; L418-V420 PolarHBondContact O-N 3.25Å; V420-L422 PolarHBondContact O-N 2.93Å; V420-K423 PolarHBondContact O-N 2.8Å; V420-I424 HydrophobicContact CG1-CD1 3.69Å; V420-I424 WeakPolarHBondContact O-CB 3.49Å; V420-I424 WeakPolarHBondContact O-CG1 3.29Å; V420-I424 PolarHBondContact O-N 3.33Å; V420-F479 HydrophobicContact CG1-CE2 4.4Å; V420-F479 HydrophobicContact CG1-CZ 4.17Å; V420-F507 HydrophobicContact CG1-CD2 4.49Å; V420-F507 HydrophobicContact CG1-CE2 4.46Å; V420-I510 HydrophobicContact CB-CG2 4.28Å; V420-I510 HydrophobicContact CG1-CG2 3.86Å; V420-I510 HydrophobicContact CG2-CG2 3.94Å; V420-V514 HydrophobicContact CG2-CG2 4Å
421V97.3Very high95.7Very high0 Ų059.7 Ų59.70%029%0.291CS..Hα-helixtrans-57.6-47.9176177.70000111F417 L418 K423 I424 S425 I460 R461 F479F417-V421 WeakPolarHBondContact O-CG2 3.3Å; F417-V421 PolarHBondContact O-N 3.49Å; L418-V421 PolarHBondContact O-N 2.91Å; V421-K423 PolarHBondContact O-N 3.36Å; V421-I424 PolarHBondContact O-N 3.43Å; V421-S425 VanDerWaalsContact O-CB 3.3Å; V421-S425 WeakPolarHBondContact O-CB 3.41Å; V421-S425 PolarHBondContact O-N 3.46Å; V421-S425 PolarHBondContact O-OG 2.8Å; V421-I460 HydrophobicContact CG2-CG2 4.02Å; V421-R461 HydrophobicContact CG1-CB 3.88Å; V421-R461 HydrophobicContact CG1-CG 4.27Å; V421-F479 HydrophobicContact CB-CZ 4.44Å; V421-F479 HydrophobicContact CG2-CE2 3.98Å; V421-F479 HydrophobicContact CG2-CZ 3.69Å
422L96.7Very high95.9Very high68 Ų6857.1 Ų57.136%0.35628%0.28SS..Hα-helixtrans-69-28.5-179.7-70.3175.8000113.8L418 V420 K426L418-L422 HydrophobicContact CD1-CD1 4.25Å; L418-L422 HydrophobicContact CD1-CG 4.12Å; L418-L422 HydrophobicContact CD2-CD1 4.45Å; L418-L422 HydrophobicContact CG-CD1 3.87Å; L418-L422 HydrophobicContact CG-CG 4.2Å; L418-L422 WeakPolarHBondContact O-CB 3.27Å; L418-L422 VanDerWaalsContact O-CG 3.25Å; L418-L422 WeakPolarHBondContact O-CG 3.39Å; L418-L422 PolarHBondContact O-N 3.41Å; V420-L422 PolarHBondContact O-N 2.93Å; L422-K426 WeakPolarHBondContact O-CD 3.49Å; L422-K426 WeakPolarHBondContact O-CG 3.24Å
423K96.4Very high96.1Very high112 Ų11256.2 Ų56.249%0.48728%0.275SS..Hα-helixtrans-74.2-48.2173.8-176.8171.4175.7-175.80110.8P419 V420 V421 S425 K426 I510P419-K423 VanDerWaalsContact O-CB 3.22Å; P419-K423 WeakPolarHBondContact O-CB 3.41Å; P419-K423 PolarHBondContact O-N 3.23Å; V420-K423 PolarHBondContact O-N 2.8Å; V421-K423 PolarHBondContact O-N 3.36Å; K423-S425 VanDerWaalsContact C-N 3.34Å; K423-S425 PolarHBondContact O-N 2.98Å; K423-K426 PolarHBondContact O-N 2.8Å; K423-K426 VanDerWaalsContact O-N 3.1Å; K423-I510 HydrophobicContact CD-CD1 3.69Å; K423-I510 HydrophobicContact CD-CG1 4.16Å; K423-I510 HydrophobicContact CG-CD1 3.99Å
424I96.6Very high96.2Very high1 Ų159.5 Ų59.51%0.00529%0.292CS..Hα-helixtrans-65.9-37.8-178.7-67.1170.2000111.1V420 V421 K426 E427 A430 L457 F479 L503 F507 I510V420-I424 HydrophobicContact CG1-CD1 3.69Å; V420-I424 WeakPolarHBondContact O-CB 3.49Å; V420-I424 WeakPolarHBondContact O-CG1 3.29Å; V420-I424 PolarHBondContact O-N 3.33Å; V421-I424 PolarHBondContact O-N 3.43Å; I424-K426 PolarHBondContact O-N 3.41Å; I424-K426 VanDerWaalsContact O-N 3.1Å; I424-E427 WeakPolarHBondContact O-CB 3.44Å; I424-E427 PolarHBondContact O-N 3.26Å; I424-A430 VanDerWaalsContact O-CB 3.25Å; I424-A430 WeakPolarHBondContact O-CB 3.33Å; I424-L457 HydrophobicContact CG2-CD1 4.24Å; I424-L457 HydrophobicContact CG2-CD2 4.03Å; I424-F479 HydrophobicContact CD1-CD1 4.42Å; I424-F479 HydrophobicContact CD1-CE1 3.71Å; I424-F479 HydrophobicContact CD1-CZ 4.12Å; I424-F479 HydrophobicContact CG2-CE1 4.39Å; I424-L503 HydrophobicContact CG2-CD1 3.83Å; I424-L503 HydrophobicContact CG2-CD2 4.47Å; I424-L503 HydrophobicContact CG2-CG 4.16Å; I424-F507 HydrophobicContact CD1-CB 4.04Å; I424-F507 HydrophobicContact CD1-CD2 3.55Å; I424-F507 HydrophobicContact CD1-CE2 4.46Å; I424-F507 HydrophobicContact CD1-CG 4.21Å; I424-I510 HydrophobicContact CD1-CD1 4.44Å; I424-I510 HydrophobicContact CG1-CD1 3.91Å
425S96.7Very high96.2Very high39 Ų3961.3 Ų61.327%0.27331%0.306SS..THydrogen-bonded Turntrans-64.7-11.4174.8-54.30000114.4V421 K423V421-S425 VanDerWaalsContact O-CB 3.3Å; V421-S425 WeakPolarHBondContact O-CB 3.41Å; V421-S425 PolarHBondContact O-N 3.46Å; V421-S425 PolarHBondContact O-OG 2.8Å; K423-S425 VanDerWaalsContact C-N 3.34Å; K423-S425 PolarHBondContact O-N 2.98Å
426K96Very high96.3Very high175 Ų17558.1 Ų58.176%0.76130%0.297SS*.THydrogen-bonded Turntrans-98.5-6.4175.1-69172.3-175.6-179.70113.1L422 K423 I424L422-K426 WeakPolarHBondContact O-CD 3.49Å; L422-K426 WeakPolarHBondContact O-CG 3.24Å; K423-K426 PolarHBondContact O-N 2.8Å; K423-K426 VanDerWaalsContact O-N 3.1Å; I424-K426 PolarHBondContact O-N 3.41Å; I424-K426 VanDerWaalsContact O-N 3.1Å
427E95.7Very high96.4Very high62 Ų6257.4 Ų57.429%0.2930%0.297SS..SBendtrans-69.8135.3176.1-70.2-62.5159.400110.7I424 D429 A430 L503 T506I424-E427 WeakPolarHBondContact O-CB 3.44Å; I424-E427 PolarHBondContact O-N 3.26Å; E427-D429 PolarHBondContact O-N 3.1Å; E427-A430 HydrophobicContact CB-CB 4.37Å; E427-A430 WeakPolarHBondContact O-CB 3.2Å; E427-A430 PolarHBondContact O-N 3.44Å; E427-L503 HydrophobicContact CB-CD1 3.9Å; E427-L503 HydrophobicContact CG-CD1 4.4Å; E427-T506 HydrophobicContact CG-CG2 3.99Å
428K93.6Very high96.3Very high168 Ų16861.5 Ų61.573%0.7332%0.319SS*.THydrogen-bonded Turntrans-54.1-24.617872.4-162.5176.4-163.30114.1
429D94.3Very high96.2Very high17 Ų1763.9 Ų63.99%0.09133%0.325CS..THydrogen-bonded Turntrans-91.6-3.7-177.6-71.2-51.6000112.5E427 F433 T499 R502E427-D429 PolarHBondContact O-N 3.1Å; D429-F433 WeakPolarHBondContact O-CE2 3.44Å; D429-T499 HydrophobicContact CB-CG2 4.4Å; D429-T499 WeakPolarHBondContact OD1-CG2 3.44Å; D429-R502 VanDerWaalsContact CG-NE 3.33Å; D429-R502 IonicContact OD1-CZ 3.78Å; D429-R502 IonicContact OD1-NE 2.67Å; D429-R502 PolarHBondContact OD1-NE 2.83Å; D429-R502 IonicContact OD1-NH2 3.65Å; D429-R502 PolarHBondContact OD1-NH2 3.49Å; D429-R502 IonicContact OD2-CZ 2.75Å; D429-R502 IonicContact OD2-NE 3.4Å; D429-R502 PolarHBondContact OD2-NE 3.42Å; D429-R502 IonicContact OD2-NH2 3.14Å
430A96.4Very high96Very high0 Ų066.2 Ų66.20%033%0.327CS..  trans-81.6-12.7179.300000114.5I424 E427 P432 F433 L434 L457 L503I424-A430 VanDerWaalsContact O-CB 3.25Å; I424-A430 WeakPolarHBondContact O-CB 3.33Å; E427-A430 HydrophobicContact CB-CB 4.37Å; E427-A430 WeakPolarHBondContact O-CB 3.2Å; E427-A430 PolarHBondContact O-N 3.44Å; A430-P432 VanDerWaalsContact O-N 3.15Å; A430-F433 WeakPolarHBondContact O-CA 3.32Å; A430-F433 WeakPolarHBondContact O-CB 3.5Å; A430-F433 PolarHBondContact O-N 3.37Å; A430-L434 HydrophobicContact CB-CD2 4.13Å; A430-L434 WeakPolarHBondContact O-CG 3.31Å; A430-L434 PolarHBondContact O-N 2.9Å; A430-L457 HydrophobicContact CB-CD1 4.11Å; A430-L503 HydrophobicContact CB-CD1 3.92Å; A430-L503 HydrophobicContact CB-CD2 4.35Å
431E95.3Very high95.9Very high116 Ų11674.1 Ų74.154%0.54236%0.362SS..G310 helixtrans-40.5-51.2-178.5160.8-162.9-116.600114F433 K495E431-F433 PolarHBondContact O-N 2.81Å; E431-F433 VanDerWaalsContact O-N 3.14Å; E431-K495 IonicContact OE1-NZ 2.87Å; E431-K495 IonicContact OE2-NZ 2.92Å; E431-K495 PolarHBondContact OE2-NZ 2.94Å
432P95.4Very high95.7Very high42 Ų4278.8 Ų78.827%0.27339%0.386SS..G310 helixtrans-72-2.2-179.2-18.833.5000115.9A430 V496A430-P432 VanDerWaalsContact O-N 3.15Å; P432-V496 HydrophobicContact CB-CG1 4.24Å; P432-V496 HydrophobicContact CB-CG2 4.43Å; P432-V496 HydrophobicContact CG-CG2 4.36Å
433F97.8Very high95.6Very high10 Ų1082.9 Ų82.94%0.04440%0.404CS..G310 helixtrans-123.1-1.5-168.2-50.2-90.6000113.1D429 A430 E431 T435 L457 M482 A486 V496 C500 L503D429-F433 WeakPolarHBondContact O-CE2 3.44Å; A430-F433 WeakPolarHBondContact O-CA 3.32Å; A430-F433 WeakPolarHBondContact O-CB 3.5Å; A430-F433 PolarHBondContact O-N 3.37Å; E431-F433 PolarHBondContact O-N 2.81Å; E431-F433 VanDerWaalsContact O-N 3.14Å; F433-T435 VanDerWaalsContact C-N 3.28Å; F433-T435 PolarHBondContact O-N 3.04Å; F433-L457 HydrophobicContact CB-CD1 4.17Å; F433-L457 HydrophobicContact CB-CG 4.4Å; F433-L457 WeakPolarHBondContact O-CB 3.46Å; F433-L457 WeakPolarHBondContact O-CG 3.46Å; F433-L457 PolarHBondContact O-N 2.97Å; F433-M482 HydrophobicContact CB-SD 3.9Å; F433-M482 HydrophobicContact CD1-CG 3.97Å; F433-M482 HydrophobicContact CD1-SD 4.27Å; F433-M482 HydrophobicContact CG-SD 4.48Å; F433-A486 HydrophobicContact CE1-CB 3.62Å; F433-A486 HydrophobicContact CZ-CB 4.28Å; F433-V496 HydrophobicContact CZ-CG1 4.31Å; F433-C500 HydrophobicContact CE1-CB 4.29Å; F433-C500 HydrophobicContact CZ-CB 3.71Å; F433-L503 HydrophobicContact CB-CD2 4.36Å; F433-L503 HydrophobicContact CD2-CD2 3.57Å; F433-L503 HydrophobicContact CE2-CD2 3.91Å; F433-L503 HydrophobicContact CG-CD2 3.91Å
434L97.4Very high95.5Very high71 Ų7179.5 Ų79.537%0.37239%0.39SS..SBendtrans-68.7-24.7-174.5-64.5178.4000113.7A430 L457 S458A430-L434 HydrophobicContact CB-CD2 4.13Å; A430-L434 WeakPolarHBondContact O-CG 3.31Å; A430-L434 PolarHBondContact O-N 2.9Å; L434-L457 HydrophobicContact CD2-CD1 4.13Å; L434-S458 VanDerWaalsContact O-CB 3.3Å; L434-S458 WeakPolarHBondContact O-CB 3.06Å; L434-S458 PolarHBondContact O-N 2.87Å
435T96.9Very high95.3Very high89 Ų8985.7 Ų85.755%0.54642%0.415SS..SBendtrans-145.6162.8-171.952.40000110.5F433 D456F433-T435 VanDerWaalsContact C-N 3.28Å; F433-T435 PolarHBondContact O-N 3.04Å; T435-D456 VanDerWaalsContact C-CG 3.42Å; T435-D456 WeakPolarHBondContact CA-OD1 3.39Å; T435-D456 WeakPolarHBondContact O-CB 3.38Å
436P97.6Very high95.3Very high76 Ų7687.1 Ų87.149%0.49442%0.419SS..  trans-56.5144.3176.6-21.931.3000112D438 D456P436-D438 PolarHBondContact O-N 3.31Å; P436-D456 WeakPolarHBondContact CD-OD1 3.38Å; P436-D456 WeakPolarHBondContact CG-OD2 3.39Å; P436-D456 VanDerWaalsContact N-CG 3.31Å
437V96.7Very high95.3Very high42 Ų4279.5 Ų79.526%0.25539%0.386SS..  trans-71.5102.1-179.8-179.70000110.1W439 L442 I444 Y447V437-W439 VanDerWaalsContact C-N 3.3Å; V437-W439 PolarHBondContact O-N 2.81Å; V437-L442 HydrophobicContact CG1-CD1 4.15Å; V437-I444 HydrophobicContact CG1-CD1 3.92Å; V437-Y447 HydrophobicContact CB-CE1 3.97Å; V437-Y447 HydrophobicContact CG1-CD1 4.25Å; V437-Y447 HydrophobicContact CG1-CD2 4.32Å; V437-Y447 HydrophobicContact CG1-CE1 4.11Å; V437-Y447 HydrophobicContact CG1-CE2 4.18Å; V437-Y447 HydrophobicContact CG1-CG 4.37Å; V437-Y447 HydrophobicContact CG2-CE1 4.39Å; V437-Y447 HydrophobicContact CG2-CE2 4.49Å
438D95.4Very high95.2Very high86 Ų8679.3 Ų79.346%0.4639%0.39SS..  trans-73.288.1168-170.2-19.8000110.1P436 K440 F441 L442P436-D438 PolarHBondContact O-N 3.31Å; D438-K440 PolarHBondContact O-N 2.64Å; D438-K440 WeakPolarHBondContact OD1-CA 3.27Å; D438-K440 WeakPolarHBondContact OD1-CB 3.45Å; D438-K440 PolarHBondContact OD1-N 2.92Å; D438-F441 HydrophobicContact CB-CB 4.01Å; D438-F441 VanDerWaalsContact CG-CB 3.49Å; D438-F441 PolarHBondContact O-N 3.39Å; D438-F441 PolarHBondContact OD1-N 2.91Å; D438-L442 WeakPolarHBondContact O-CB 3.43Å; D438-L442 WeakPolarHBondContact O-CG 3.47Å; D438-L442 PolarHBondContact O-N 3.07Å
439W93.9Very high95.2Very high87 Ų8778.3 Ų78.333%0.3339%0.388SS..THydrogen-bonded Turntrans-69-10.317853.2-95.8000114.3V437 I444 Y445 Y447 P448V437-W439 VanDerWaalsContact C-N 3.3Å; V437-W439 PolarHBondContact O-N 2.81Å; W439-I444 HydrophobicContact CB-CD1 4.45Å; W439-I444 HydrophobicContact CB-CG1 3.8Å; W439-I444 CarbonylContact O-C 3.6Å; W439-I444 PolarHBondContact O-N 3.41Å; W439-Y445 HydrophobicContact CE3-CD1 4.05Å; W439-Y445 HydrophobicContact CZ3-CD1 4.03Å; W439-Y447 HydrophobicContact CB-CD1 4.38Å; W439-Y447 HydrophobicContact CB-CG 4.36Å; W439-P448 HydrophobicContact CD2-CG 4.04Å; W439-P448 HydrophobicContact CE3-CG 4.38Å; W439-P448 HydrophobicContact CG-CG 4.46Å; W439-P448 HydrophobicContact CH2-CG 4.48Å; W439-P448 HydrophobicContact CZ2-CG 4.17Å
440K94.6Very high95.2Very high127 Ų12781 Ų8155%0.55240%0.401SS*.THydrogen-bonded Turntrans-86.1-45.6172.6-60.6175.8-176.5171.40110.5D438 L442 E443 Y445D438-K440 PolarHBondContact O-N 2.64Å; D438-K440 WeakPolarHBondContact OD1-CA 3.27Å; D438-K440 WeakPolarHBondContact OD1-CB 3.45Å; D438-K440 PolarHBondContact OD1-N 2.92Å; K440-L442 VanDerWaalsContact C-N 3.34Å; K440-E443 PolarHBondContact O-N 2.9Å; K440-Y445 HydrophobicContact CB-CE1 4.37Å; K440-Y445 HydrophobicContact CG-CE1 4.42Å
441F94.4Very high95.1Very high169 Ų16981 Ų8174%0.74140%0.402SS*.THydrogen-bonded Turntrans-66.6-35.4176.5179.2-100.7000112.3D438 E443D438-F441 HydrophobicContact CB-CB 4.01Å; D438-F441 VanDerWaalsContact CG-CB 3.49Å; D438-F441 PolarHBondContact O-N 3.39Å; D438-F441 PolarHBondContact OD1-N 2.91Å; F441-E443 VanDerWaalsContact C-N 3.29Å
442L92.7Very high95Very high98 Ų9880.2 Ų80.251%0.51341%0.409SS..THydrogen-bonded Turntrans-85.35.5176-64.4173000113.9V437 D438 K440 I444V437-L442 HydrophobicContact CG1-CD1 4.15Å; D438-L442 WeakPolarHBondContact O-CB 3.43Å; D438-L442 WeakPolarHBondContact O-CG 3.47Å; D438-L442 PolarHBondContact O-N 3.07Å; K440-L442 VanDerWaalsContact C-N 3.34Å; L442-I444 HydrophobicContact CB-CD1 4.05Å; L442-I444 HydrophobicContact CB-CG1 3.87Å; L442-I444 HydrophobicContact CD1-CD1 4.25Å; L442-I444 PolarHBondContact O-N 2.67Å
443E94.7Very high95.1Very high154 Ų15482.8 Ų82.872%0.7242%0.42SS*.  trans5615.3-179.2-57.4-172.416800116.1K440 F441 Y445K440-E443 PolarHBondContact O-N 2.9Å; F441-E443 VanDerWaalsContact C-N 3.29Å; E443-Y445 HydrophobicContact CB-CE2 4.2Å; E443-Y445 VanDerWaalsContact O-CD2 3.29Å; E443-Y445 WeakPolarHBondContact O-CD2 3.17Å; E443-Y445 PolarHBondContact O-N 2.57Å
444I93.1Very high95Very high41 Ų4185.8 Ų85.821%0.2144%0.441CS..  trans-92.859.6-178.653176.6000112.5V437 W439 L442 D446 Y447 Y489V437-I444 HydrophobicContact CG1-CD1 3.92Å; W439-I444 HydrophobicContact CB-CD1 4.45Å; W439-I444 HydrophobicContact CB-CG1 3.8Å; W439-I444 CarbonylContact O-C 3.6Å; W439-I444 PolarHBondContact O-N 3.41Å; L442-I444 HydrophobicContact CB-CD1 4.05Å; L442-I444 HydrophobicContact CB-CG1 3.87Å; L442-I444 HydrophobicContact CD1-CD1 4.25Å; L442-I444 PolarHBondContact O-N 2.67Å; I444-D446 PolarHBondContact O-N 2.94Å; I444-Y447 HydrophobicContact CD1-CD2 4.14Å; I444-Y447 HydrophobicContact CD1-CG 4.35Å; I444-Y447 VanDerWaalsContact O-CB 3.25Å; I444-Y447 WeakPolarHBondContact O-CB 3.2Å; I444-Y447 PolarHBondContact O-N 2.62Å; I444-Y489 HydrophobicContact CB-CE1 4.47Å; I444-Y489 WeakPolarHBondContact CB-OH 3.35Å; I444-Y489 HydrophobicContact CD1-CE1 4.22Å; I444-Y489 HydrophobicContact CG2-CE1 4.29Å; I444-Y489 VanDerWaalsContact CG2-OH 3.32Å; I444-Y489 WeakPolarHBondContact CG2-OH 3.29Å
445Y93.7Very high95.1Very high131 Ų13183.5 Ų83.551%0.51443%0.429SS..THydrogen-bonded Turntrans-61.2-8.1-175.6-55.7-74.4000115.9W439 K440 E443 Q449W439-Y445 HydrophobicContact CE3-CD1 4.05Å; W439-Y445 HydrophobicContact CZ3-CD1 4.03Å; K440-Y445 HydrophobicContact CB-CE1 4.37Å; K440-Y445 HydrophobicContact CG-CE1 4.42Å; E443-Y445 HydrophobicContact CB-CE2 4.2Å; E443-Y445 VanDerWaalsContact O-CD2 3.29Å; E443-Y445 WeakPolarHBondContact O-CD2 3.17Å; E443-Y445 PolarHBondContact O-N 2.57Å; Y445-Q449 PolarHBondContact O-NE2 3.15Å; Y445-Q449 VanDerWaalsContact O-NE2 3.1Å
446D95.6Very high95.1Very high68 Ų6879.5 Ų79.536%0.36440%0.404SS..THydrogen-bonded Turntrans-90.1-12.4172.169.2-24.7000113.8I444 Q449 I450 Y489I444-D446 PolarHBondContact O-N 2.94Å; D446-Q449 WeakPolarHBondContact O-CA 3.34Å; D446-Q449 WeakPolarHBondContact O-CB 3.5Å; D446-Q449 PolarHBondContact O-N 2.88Å; D446-I450 HydrophobicContact CB-CD1 4.5Å; D446-I450 PolarHBondContact O-N 3.03Å; D446-Y489 WeakPolarHBondContact OD1-CE2 3.47Å; D446-Y489 PolarHBondContact OD1-OH 2.72Å
447Y96.2Very high95.2Very high15 Ų1576 Ų766%0.05938%0.381CS..Hα-helixtrans-50.4-53.3-179.8-173.5-92.1000113.9V437 W439 I444 Q449 I450 V451 P454 Y489V437-Y447 HydrophobicContact CB-CE1 3.97Å; V437-Y447 HydrophobicContact CG1-CD1 4.25Å; V437-Y447 HydrophobicContact CG1-CD2 4.32Å; V437-Y447 HydrophobicContact CG1-CE1 4.11Å; V437-Y447 HydrophobicContact CG1-CE2 4.18Å; V437-Y447 HydrophobicContact CG1-CG 4.37Å; V437-Y447 HydrophobicContact CG2-CE1 4.39Å; V437-Y447 HydrophobicContact CG2-CE2 4.49Å; W439-Y447 HydrophobicContact CB-CD1 4.38Å; W439-Y447 HydrophobicContact CB-CG 4.36Å; I444-Y447 HydrophobicContact CD1-CD2 4.14Å; I444-Y447 HydrophobicContact CD1-CG 4.35Å; I444-Y447 VanDerWaalsContact O-CB 3.25Å; I444-Y447 WeakPolarHBondContact O-CB 3.2Å; I444-Y447 PolarHBondContact O-N 2.62Å; Y447-Q449 PolarHBondContact O-N 3.43Å; Y447-Q449 VanDerWaalsContact O-N 3.11Å; Y447-I450 PolarHBondContact O-N 3.36Å; Y447-V451 HydrophobicContact CD1-CB 4.42Å; Y447-V451 HydrophobicContact CD2-CG2 4.38Å; Y447-V451 HydrophobicContact CE1-CB 3.97Å; Y447-V451 HydrophobicContact CE1-CG1 4.06Å; Y447-V451 HydrophobicContact CE1-CG2 4.36Å; Y447-V451 HydrophobicContact CE2-CB 4.35Å; Y447-V451 HydrophobicContact CE2-CG2 3.84Å; Y447-V451 PolarHBondContact O-N 2.93Å; Y447-P454 HydrophobicContact CE1-CG 4.4Å; Y447-Y489 AromaticContact CD2-CD1 3.89Å; Y447-Y489 HydrophobicContact CD2-CD1 3.89Å; Y447-Y489 AromaticContact CD2-CD2 3.63Å; Y447-Y489 HydrophobicContact CD2-CD2 3.63Å; Y447-Y489 HydrophobicContact CD2-CE1 4.19Å; Y447-Y489 AromaticContact CD2-CE2 3.96Å; Y447-Y489 HydrophobicContact CD2-CE2 3.96Å; Y447-Y489 AromaticContact CD2-CG 3.63Å; Y447-Y489 HydrophobicContact CD2-CG 3.63Å; Y447-Y489 HydrophobicContact CE2-CD1 4.3Å; Y447-Y489 HydrophobicContact CE2-CD2 4.35Å; Y447-Y489 AromaticContact CE2-CG 3.99Å; Y447-Y489 HydrophobicContact CE2-CG 3.99Å; Y447-Y489 HydrophobicContact CG-CD2 4.42Å; Y447-Y489 HydrophobicContact CG-CE2 4.48Å
448P93.9Very high95.2Very high58 Ų5875.9 Ų75.938%0.37738%0.382SS..Hα-helixtrans-72.20.7177.631.7-38.2000114.6W439W439-P448 HydrophobicContact CD2-CG 4.04Å; W439-P448 HydrophobicContact CE3-CG 4.38Å; W439-P448 HydrophobicContact CG-CG 4.46Å; W439-P448 HydrophobicContact CH2-CG 4.48Å; W439-P448 HydrophobicContact CZ2-CG 4.17Å
449Q93.5Very high95.4Very high147 Ų14772.7 Ų72.769%0.68737%0.365SS*.Hα-helixtrans-97.8-13.6171.4-58171.167.200111.8Y445 D446 Y447Y445-Q449 PolarHBondContact O-NE2 3.15Å; Y445-Q449 VanDerWaalsContact O-NE2 3.1Å; D446-Q449 WeakPolarHBondContact O-CA 3.34Å; D446-Q449 WeakPolarHBondContact O-CB 3.5Å; D446-Q449 PolarHBondContact O-N 2.88Å; Y447-Q449 PolarHBondContact O-N 3.43Å; Y447-Q449 VanDerWaalsContact O-N 3.11Å
450I93.3Very high95.6Very high73 Ų7368.5 Ų68.537%0.37435%0.35SS..Hα-helixtrans-111.7-39.2-178.8-65.3176000111D446 Y447 L488 Y489D446-I450 HydrophobicContact CB-CD1 4.5Å; D446-I450 PolarHBondContact O-N 3.03Å; Y447-I450 PolarHBondContact O-N 3.36Å; I450-L488 HydrophobicContact CG2-CD2 4.43Å; I450-L488 HydrophobicContact CG2-CG 4.09Å; I450-L488 WeakPolarHBondContact O-CD2 3.32Å; I450-Y489 HydrophobicContact CB-CD2 4.08Å; I450-Y489 HydrophobicContact CD1-CD2 4.03Å; I450-Y489 HydrophobicContact CD1-CE2 3.96Å; I450-Y489 HydrophobicContact CG2-CD2 4.03Å
451V95.5Very high95.7Very high2 Ų267.5 Ų67.51%0.01234%0.342CS..  trans-103.9108.9174.5172.80000108.4Y447 P454 N485Y447-V451 HydrophobicContact CD1-CB 4.42Å; Y447-V451 HydrophobicContact CD2-CG2 4.38Å; Y447-V451 HydrophobicContact CE1-CB 3.97Å; Y447-V451 HydrophobicContact CE1-CG1 4.06Å; Y447-V451 HydrophobicContact CE1-CG2 4.36Å; Y447-V451 HydrophobicContact CE2-CB 4.35Å; Y447-V451 HydrophobicContact CE2-CG2 3.84Å; Y447-V451 PolarHBondContact O-N 2.93Å; V451-P454 HydrophobicContact CG1-CG 4.21Å; V451-N485 HydrophobicContact CG1-CB 3.97Å; V451-N485 VanDerWaalsContact CG1-CG 3.47Å; V451-N485 HydrophobicContact CG2-CB 4.05Å
452S93.7Very high95.9Very high99 Ų9964.8 Ų64.869%0.69233%0.327SS*.SBendtrans-73.6-39.1179.451.70000113P454S452-P454 WeakPolarHBondContact O-CD 3.38Å
453D96.2Very high96.2Very high96 Ų9662 Ų6251%0.51331%0.311SS..SBendtrans-127.182.5-169.8-57.5-86.3000109.8L481 N485D453-L481 HydrophobicContact CB-CD1 4.42Å; D453-L481 HydrophobicContact CB-CD2 4.16Å; D453-N485 PolarHBondContact O-ND2 3.27Å
454P97Very high96.2Very high73 Ų7354.8 Ų54.847%0.47428%0.277SS..  trans-61.7142.7-179.9-22.934.1000112.6Y447 V451 S452Y447-P454 HydrophobicContact CE1-CG 4.4Å; V451-P454 HydrophobicContact CG1-CG 4.21Å; S452-P454 WeakPolarHBondContact O-CD 3.38Å
455M98.2Very high96.4Very high23 Ų2356.3 Ų56.311%0.11328%0.283CS..  trans-148.2144.8179.1-169.653.860.500110.5T459 I460 D478 L481 M482M455-T459 HydrophobicContact CE-CG2 4.07Å; M455-T459 HydrophobicContact SD-CG2 3.58Å; M455-T459 VanDerWaalsContact SD-CG2 3.58Å; M455-I460 HydrophobicContact CG-CD1 4.1Å; M455-I460 HydrophobicContact CG-CG1 3.96Å; M455-I460 HydrophobicContact SD-CD1 4.47Å; M455-I460 HydrophobicContact SD-CG1 3.68Å; M455-D478 HydrophobicContact CE-CB 4.46Å; M455-D478 HydrophobicContact CG-CB 4.15Å; M455-D478 WeakPolarHBondContact CG-O 3.49Å; M455-D478 HydrophobicContact SD-CB 4.27Å; M455-L481 HydrophobicContact CB-CB 4.38Å; M455-L481 HydrophobicContact CB-CD2 4.01Å; M455-L481 HydrophobicContact CB-CG 3.97Å; M455-L481 HydrophobicContact CE-CD2 4.33Å; M455-M482 HydrophobicContact CB-CB 4.14Å; M455-M482 HydrophobicContact CG-CB 4.15Å; M455-M482 WeakPolarHBondContact O-CG 3.41Å
456D98.1Very high96.5Very high5 Ų555.1 Ų55.13%0.02729%0.286CS..  trans-153.5163.8-174.774.993.7000111.4T435 P436 S458 T459 I460T435-D456 VanDerWaalsContact C-CG 3.42Å; T435-D456 WeakPolarHBondContact CA-OD1 3.39Å; T435-D456 WeakPolarHBondContact O-CB 3.38Å; P436-D456 WeakPolarHBondContact CD-OD1 3.38Å; P436-D456 WeakPolarHBondContact CG-OD2 3.39Å; P436-D456 VanDerWaalsContact N-CG 3.31Å; D456-S458 VanDerWaalsContact C-N 3.34Å; D456-S458 PolarHBondContact O-N 3.42Å; D456-S458 WeakPolarHBondContact OD1-CA 3.42Å; D456-S458 WeakPolarHBondContact OD1-CB 3.4Å; D456-S458 PolarHBondContact OD1-N 3.08Å; D456-S458 PolarHBondContact OD1-OG 2.67Å; D456-T459 PolarHBondContact O-N 3.13Å; D456-T459 VanDerWaalsContact O-N 3.17Å; D456-T459 PolarHBondContact OD1-N 3.42Å; D456-T459 WeakPolarHBondContact OD2-CB 3.43Å; D456-T459 PolarHBondContact OD2-OG1 2.67Å; D456-I460 WeakPolarHBondContact O-CG1 3.3Å; D456-I460 PolarHBondContact O-N 3.39Å
457L98.3Very high96.4Very high2 Ų259 Ų591%0.0130%0.295CS..Hα-helixtrans-63.9-32-175.7-67.9169.5000113.8I424 A430 F433 L434 R461 F479 M482I424-L457 HydrophobicContact CG2-CD1 4.24Å; I424-L457 HydrophobicContact CG2-CD2 4.03Å; A430-L457 HydrophobicContact CB-CD1 4.11Å; F433-L457 HydrophobicContact CB-CD1 4.17Å; F433-L457 HydrophobicContact CB-CG 4.4Å; F433-L457 WeakPolarHBondContact O-CB 3.46Å; F433-L457 WeakPolarHBondContact O-CG 3.46Å; F433-L457 PolarHBondContact O-N 2.97Å; L434-L457 HydrophobicContact CD2-CD1 4.13Å; L457-R461 VanDerWaalsContact O-CB 3.24Å; L457-R461 WeakPolarHBondContact O-CB 3.44Å; L457-R461 PolarHBondContact O-N 3.05Å; L457-F479 HydrophobicContact CD2-CD1 4.28Å; L457-F479 HydrophobicContact CD2-CE1 3.6Å; L457-F479 HydrophobicContact CD2-CZ 4.37Å; L457-M482 HydrophobicContact CD2-CE 3.96Å; L457-M482 HydrophobicContact CD2-SD 3.99Å; L457-M482 HydrophobicContact CG-CE 4.24Å; L457-M482 HydrophobicContact CG-SD 3.78Å
458S97.8Very high96.4Very high40 Ų4063 Ų6328%0.2832%0.315SS..Hα-helixtrans-74.5-32.7175.176.80000112.4L434 D456 R462L434-S458 VanDerWaalsContact O-CB 3.3Å; L434-S458 WeakPolarHBondContact O-CB 3.06Å; L434-S458 PolarHBondContact O-N 2.87Å; D456-S458 VanDerWaalsContact C-N 3.34Å; D456-S458 PolarHBondContact O-N 3.42Å; D456-S458 WeakPolarHBondContact OD1-CA 3.42Å; D456-S458 WeakPolarHBondContact OD1-CB 3.4Å; D456-S458 PolarHBondContact OD1-N 3.08Å; D456-S458 PolarHBondContact OD1-OG 2.67Å; S458-R462 VanDerWaalsContact O-CB 3.27Å; S458-R462 WeakPolarHBondContact O-CB 3.01Å; S458-R462 PolarHBondContact O-N 3.41Å
459T98.3Very high96.5Very high18 Ų1860.7 Ų60.711%0.1130%0.299CS..Hα-helixtrans-69.4-46171.4-68.50000111.4M455 D456 R461 R462 K463M455-T459 HydrophobicContact CE-CG2 4.07Å; M455-T459 HydrophobicContact SD-CG2 3.58Å; M455-T459 VanDerWaalsContact SD-CG2 3.58Å; D456-T459 PolarHBondContact O-N 3.13Å; D456-T459 VanDerWaalsContact O-N 3.17Å; D456-T459 PolarHBondContact OD1-N 3.42Å; D456-T459 WeakPolarHBondContact OD2-CB 3.43Å; D456-T459 PolarHBondContact OD2-OG1 2.67Å; T459-R461 VanDerWaalsContact C-N 3.28Å; T459-R461 PolarHBondContact O-N 2.73Å; T459-R462 PolarHBondContact O-N 2.82Å; T459-R462 PolarHBondContact OG1-NH1 3.22Å; T459-R462 PolarHBondContact OG1-NH2 3.27Å; T459-K463 HydrophobicContact CG2-CD 3.97Å; T459-K463 HydrophobicContact CG2-CG 4.24Å; T459-K463 WeakPolarHBondContact O-CB 3.13Å; T459-K463 VanDerWaalsContact O-CG 3.3Å; T459-K463 WeakPolarHBondContact O-CG 3.44Å; T459-K463 PolarHBondContact O-N 3.26Å
460I98.3Very high96.4Very high0 Ų060.9 Ų60.90%030%0.297CS..Hα-helixtrans-57.2-44.5174-64.9169.5000110.3V421 M455 D456 L464 I475 D478 F479 M482V421-I460 HydrophobicContact CG2-CG2 4.02Å; M455-I460 HydrophobicContact CG-CD1 4.1Å; M455-I460 HydrophobicContact CG-CG1 3.96Å; M455-I460 HydrophobicContact SD-CD1 4.47Å; M455-I460 HydrophobicContact SD-CG1 3.68Å; D456-I460 WeakPolarHBondContact O-CG1 3.3Å; D456-I460 PolarHBondContact O-N 3.39Å; I460-L464 WeakPolarHBondContact O-CB 3.32Å; I460-L464 PolarHBondContact O-N 3.47Å; I460-L464 VanDerWaalsContact O-N 3.15Å; I460-I475 HydrophobicContact CG2-CG2 4.26Å; I460-D478 HydrophobicContact CD1-CB 4.39Å; I460-D478 HydrophobicContact CG1-CB 4.12Å; I460-F479 HydrophobicContact CD1-CB 4.49Å; I460-F479 HydrophobicContact CD1-CD1 4.08Å; I460-F479 HydrophobicContact CD1-CD2 4.35Å; I460-F479 HydrophobicContact CD1-CE1 4.47Å; I460-F479 HydrophobicContact CD1-CG 4.02Å; I460-F479 HydrophobicContact CG2-CD2 4.26Å; I460-F479 HydrophobicContact CG2-CE2 3.93Å; I460-F479 HydrophobicContact CG2-CZ 4.32Å; I460-M482 HydrophobicContact CD1-SD 4.36Å
461R98Very high96.4Very high106 Ų10658.5 Ų58.540%0.429%0.285SS..Hα-helixtrans-59.5-51.3175.7-171.5179.6169.6-164.4-11.3111.8L418 V421 L457 T459 L464 E465L418-R461 HydrophobicContact CD1-CG 4.26Å; V421-R461 HydrophobicContact CG1-CB 3.88Å; V421-R461 HydrophobicContact CG1-CG 4.27Å; L457-R461 VanDerWaalsContact O-CB 3.24Å; L457-R461 WeakPolarHBondContact O-CB 3.44Å; L457-R461 PolarHBondContact O-N 3.05Å; T459-R461 VanDerWaalsContact C-N 3.28Å; T459-R461 PolarHBondContact O-N 2.73Å; R461-L464 WeakPolarHBondContact O-CB 3.2Å; R461-L464 PolarHBondContact O-N 3.25Å; R461-L464 VanDerWaalsContact O-N 3.16Å; R461-E465 HydrophobicContact CG-CG 4.39Å; R461-E465 IonicContact CZ-OE1 3.96Å; R461-E465 IonicContact CZ-OE2 3.77Å; R461-E465 VanDerWaalsContact NE-CD 3.28Å; R461-E465 IonicContact NE-OE1 3.3Å; R461-E465 PolarHBondContact NE-OE1 3.32Å; R461-E465 IonicContact NE-OE2 2.82Å; R461-E465 PolarHBondContact NE-OE2 2.89Å; R461-E465 VanDerWaalsContact NE-OE2 3.14Å; R461-E465 IonicContact NH2-OE1 2.62Å; R461-E465 PolarHBondContact NH2-OE1 3.21Å; R461-E465 IonicContact NH2-OE2 3.31Å; R461-E465 PolarHBondContact O-N 3.23Å
462R98.1Very high96.3Very high111 Ų11158.4 Ų58.442%0.41929%0.285SS..Hα-helixtrans-57.6-52179.9-179.6177.766.3-100.2-3.1111.1S458 T459 L464 E465 D466S458-R462 VanDerWaalsContact O-CB 3.27Å; S458-R462 WeakPolarHBondContact O-CB 3.01Å; S458-R462 PolarHBondContact O-N 3.41Å; T459-R462 PolarHBondContact O-N 2.82Å; T459-R462 PolarHBondContact OG1-NH1 3.22Å; T459-R462 PolarHBondContact OG1-NH2 3.27Å; R462-L464 PolarHBondContact O-N 2.97Å; R462-L464 VanDerWaalsContact O-N 3.13Å; R462-E465 PolarHBondContact O-N 3.23Å; R462-E465 VanDerWaalsContact O-N 3.12Å; R462-D466 WeakPolarHBondContact CG-OD2 3.46Å; R462-D466 VanDerWaalsContact O-CB 3.27Å; R462-D466 WeakPolarHBondContact O-CB 3.45Å; R462-D466 PolarHBondContact O-N 3.28Å
463K98Very high96.4Very high39 Ų3954 Ų5417%0.1725%0.253CS..Hα-helixtrans-56.7-30.9177.9-67.9-178.265.8-178.10113.1T459 R467 E468 Y469 D478T459-K463 HydrophobicContact CG2-CD 3.97Å; T459-K463 HydrophobicContact CG2-CG 4.24Å; T459-K463 WeakPolarHBondContact O-CB 3.13Å; T459-K463 VanDerWaalsContact O-CG 3.3Å; T459-K463 WeakPolarHBondContact O-CG 3.44Å; T459-K463 PolarHBondContact O-N 3.26Å; K463-R467 PolarHBondContact O-N 3.49Å; K463-E468 HydrophobicContact CB-CB 4.29Å; K463-E468 HydrophobicContact CB-CG 4.48Å; K463-E468 VanDerWaalsContact CE-OE2 3.26Å; K463-E468 WeakPolarHBondContact CE-OE2 3.4Å; K463-E468 WeakPolarHBondContact CG-OE2 3.35Å; K463-E468 PolarHBondContact O-N 3.41Å; K463-Y469 HydrophobicContact CB-CD2 4.09Å; K463-Y469 HydrophobicContact CB-CE1 4.49Å; K463-Y469 HydrophobicContact CB-CE2 3.39Å; K463-D478 IonicContact NZ-OD1 2.59Å; K463-D478 IonicContact NZ-OD2 2.69Å; K463-D478 PolarHBondContact NZ-OD2 3.29Å
464L96.5Very high96.3Very high4 Ų452.1 Ų52.12%0.02124%0.241CC..Hα-helixtrans-78.5-42.4176.6-169.768.8000112.8L413 L414 F417 L418 I460 R461 R462 R467 Y469 I475L413-L464 HydrophobicContact CB-CD1 4.12Å; L414-L464 HydrophobicContact CD1-CD2 4.2Å; L414-L464 HydrophobicContact CD1-CG 3.91Å; F417-L464 HydrophobicContact CB-CD1 4.23Å; F417-L464 HydrophobicContact CB-CD2 3.68Å; L418-L464 HydrophobicContact CB-CD2 4.17Å; I460-L464 WeakPolarHBondContact O-CB 3.32Å; I460-L464 PolarHBondContact O-N 3.47Å; I460-L464 VanDerWaalsContact O-N 3.15Å; R461-L464 WeakPolarHBondContact O-CB 3.2Å; R461-L464 PolarHBondContact O-N 3.25Å; R461-L464 VanDerWaalsContact O-N 3.16Å; R462-L464 PolarHBondContact O-N 2.97Å; R462-L464 VanDerWaalsContact O-N 3.13Å; L464-R467 PolarHBondContact O-N 3.31Å; L464-Y469 HydrophobicContact CB-CD2 4.12Å; L464-Y469 HydrophobicContact CB-CE2 4.07Å; L464-Y469 HydrophobicContact CD1-CD2 3.95Å; L464-I475 HydrophobicContact CD1-CD1 3.73Å; L464-I475 HydrophobicContact CD1-CG1 4.4Å
465E96.3Very high96.3Very high72 Ų7248.6 Ų48.634%0.33622%0.218SC..Hα-helixtrans-70.5-39.8177.5-70.7175.7157.100111.6L414 R461 R462 R467L414-E465 HydrophobicContact CD1-CG 4.04Å; R461-E465 HydrophobicContact CG-CG 4.39Å; R461-E465 IonicContact CZ-OE1 3.96Å; R461-E465 IonicContact CZ-OE2 3.77Å; R461-E465 VanDerWaalsContact NE-CD 3.28Å; R461-E465 IonicContact NE-OE1 3.3Å; R461-E465 PolarHBondContact NE-OE1 3.32Å; R461-E465 IonicContact NE-OE2 2.82Å; R461-E465 PolarHBondContact NE-OE2 2.89Å; R461-E465 VanDerWaalsContact NE-OE2 3.14Å; R461-E465 IonicContact NH2-OE1 2.62Å; R461-E465 PolarHBondContact NH2-OE1 3.21Å; R461-E465 IonicContact NH2-OE2 3.31Å; R461-E465 PolarHBondContact O-N 3.23Å; R462-E465 PolarHBondContact O-N 3.23Å; R462-E465 VanDerWaalsContact O-N 3.12Å; E465-R467 PolarHBondContact O-N 3.08Å
466D96.2Very high96.2Very high106 Ų10647.5 Ų47.557%0.56721%0.213SC*.THydrogen-bonded Turntrans-78.6-0.7175.2-66.2-20.8000113.5R462 E468R462-D466 WeakPolarHBondContact CG-OD2 3.46Å; R462-D466 VanDerWaalsContact O-CB 3.27Å; R462-D466 WeakPolarHBondContact O-CB 3.45Å; R462-D466 PolarHBondContact O-N 3.28Å; D466-E468 PolarHBondContact O-N 2.88Å
467R93.4Very high96Very high149 Ų14950.5 Ų50.556%0.56223%0.229SC*.THydrogen-bonded Turntrans66.129.7171.1-49.6-179.5-178.7-164.7-2.2115.7K463 L464 E465K463-R467 PolarHBondContact O-N 3.49Å; L464-R467 PolarHBondContact O-N 3.31Å; E465-R467 PolarHBondContact O-N 3.08Å
468E95.8Very high96Very high100 Ų10051.4 Ų51.447%0.46723%0.234SC..  trans-66.9-35.5179.1-66-175.6-151.800113.3K463 D466K463-E468 HydrophobicContact CB-CB 4.29Å; K463-E468 HydrophobicContact CB-CG 4.48Å; K463-E468 VanDerWaalsContact CE-OE2 3.26Å; K463-E468 WeakPolarHBondContact CE-OE2 3.4Å; K463-E468 WeakPolarHBondContact CG-OE2 3.35Å; K463-E468 PolarHBondContact O-N 3.41Å; D466-E468 PolarHBondContact O-N 2.88Å
469Y96.5Very high95.9Very high9 Ų949.5 Ų49.54%0.03522%0.221CC..  trans-72.6143-176.4-60.6-68.2000113.5L413 K463 L464 E474 I475 D478L413-Y469 WeakPolarHBondContact CD1-O 3.46Å; K463-Y469 HydrophobicContact CB-CD2 4.09Å; K463-Y469 HydrophobicContact CB-CE1 4.49Å; K463-Y469 HydrophobicContact CB-CE2 3.39Å; L464-Y469 HydrophobicContact CB-CD2 4.12Å; L464-Y469 HydrophobicContact CB-CE2 4.07Å; L464-Y469 HydrophobicContact CD1-CD2 3.95Å; Y469-E474 HydrophobicContact CD1-CB 3.69Å; Y469-E474 HydrophobicContact CE1-CB 4.24Å; Y469-I475 HydrophobicContact CD1-CG1 3.8Å; Y469-I475 HydrophobicContact CD2-CD1 4.34Å; Y469-I475 HydrophobicContact CD2-CG1 3.65Å; Y469-I475 HydrophobicContact CE1-CG1 4.14Å; Y469-I475 HydrophobicContact CE2-CG1 3.99Å; Y469-I475 HydrophobicContact CE2-CG2 4.42Å; Y469-I475 HydrophobicContact CG-CD1 4.36Å; Y469-I475 HydrophobicContact CG-CG1 3.53Å; Y469-D478 WeakPolarHBondContact CE1-OD2 3.47Å; Y469-D478 VanDerWaalsContact CZ-OD2 3.3Å; Y469-D478 PolarHBondContact OH-OD2 3.45Å
470K91.7Very high95.8Very high152 Ų15249.2 Ų49.266%0.66122%0.217SC*.  trans-125.6-22.6-175.4-64.1160.6-166.9148.70113.3E474K470-E474 PolarHBondContact N-OE2 3.43Å
471D91.9Very high95.7Very high23 Ų2351.6 Ų51.612%0.12323%0.23CC..SBendtrans-130.9140.4169.5-174.3-91000111.3W408 W473 E474W408-D471 PolarHBondContact NE1-OD2 3.41Å; D471-W473 PolarHBondContact O-N 3.22Å; D471-W473 WeakPolarHBondContact OD1-CB 3.21Å; D471-W473 VanDerWaalsContact OD1-CD1 3.28Å; D471-W473 PolarHBondContact OD1-N 3.43Å; D471-E474 HydrophobicContact CB-CG 4.36Å; D471-E474 PolarHBondContact N-OE2 3.43Å; D471-E474 VanDerWaalsContact N-OE2 3.08Å; D471-E474 WeakPolarHBondContact O-CB 3.17Å; D471-E474 PolarHBondContact O-N 3.06Å
472P95Very high95.7Very high0 Ų046.8 Ų46.80%021%0.212CC..Hα-helixtrans-47.3-31.9175.2-35.440.2000114.9W408 L413 F417 I475 V476 M515 L518 F520W408-P472 HydrophobicContact CD2-CG 3.72Å; W408-P472 VanDerWaalsContact CE2-CD 3.42Å; W408-P472 HydrophobicContact CE3-CG 4.06Å; W408-P472 HydrophobicContact CG-CG 4.13Å; W408-P472 HydrophobicContact CH2-CG 4.25Å; W408-P472 HydrophobicContact CZ2-CG 3.95Å; W408-P472 HydrophobicContact CZ3-CG 4.32Å; L413-P472 HydrophobicContact CD2-CB 4.4Å; L413-P472 HydrophobicContact CD2-CG 3.57Å; F417-P472 HydrophobicContact CE2-CB 3.81Å; F417-P472 HydrophobicContact CE2-CG 4.41Å; F417-P472 HydrophobicContact CZ-CB 3.74Å; F417-P472 WeakPolarHBondContact CZ-O 3.42Å; P472-I475 PolarHBondContact O-N 2.91Å; P472-V476 WeakPolarHBondContact O-CG2 3.28Å; P472-V476 PolarHBondContact O-N 3.38Å; P472-M515 HydrophobicContact CB-CE 3.98Å; P472-M515 HydrophobicContact CB-SD 3.83Å; P472-L518 HydrophobicContact CB-CD1 4.08Å; P472-L518 HydrophobicContact CG-CD1 4.08Å; P472-F520 HydrophobicContact CB-CE2 3.72Å; P472-F520 HydrophobicContact CB-CZ 4.09Å; P472-F520 HydrophobicContact CG-CE2 3.78Å; P472-F520 HydrophobicContact CG-CZ 4.05Å
473W94.1Very high95.6Very high5 Ų541.6 Ų41.62%0.01919%0.192CC..Hα-helixtrans-75.7-24.2178.4-70.891.9000114.5D471 I475 V476 D477 M515 F520 C522 F610 K619 H621D471-W473 PolarHBondContact O-N 3.22Å; D471-W473 WeakPolarHBondContact OD1-CB 3.21Å; D471-W473 VanDerWaalsContact OD1-CD1 3.28Å; D471-W473 PolarHBondContact OD1-N 3.43Å; W473-I475 PolarHBondContact O-N 3.25Å; W473-V476 HydrophobicContact CE3-CB 4.09Å; W473-V476 HydrophobicContact CE3-CG1 3.88Å; W473-V476 HydrophobicContact CZ3-CG1 4Å; W473-V476 PolarHBondContact O-N 3.01Å; W473-V476 VanDerWaalsContact O-N 3.14Å; W473-D477 WeakPolarHBondContact O-CB 3.27Å; W473-D477 PolarHBondContact O-N 3.29Å; W473-M515 HydrophobicContact CD2-CE 3.47Å; W473-M515 VanDerWaalsContact CD2-CE 3.47Å; W473-M515 HydrophobicContact CE3-CE 4.16Å; W473-M515 HydrophobicContact CG-CE 3.72Å; W473-M515 HydrophobicContact CH2-CE 4.34Å; W473-M515 HydrophobicContact CZ2-CE 3.71Å; W473-F520 AromaticContact CD1-CE1 3.52Å; W473-F520 AromaticContact CD1-CZ 3.72Å; W473-F520 AromaticContact NE1-CD1 3.2Å; W473-F520 AromaticContact NE1-CE1 3.21Å; W473-F520 AromaticContact NE1-CG 3.68Å; W473-F520 AromaticContact NE1-CZ 3.71Å; W473-C522 VanDerWaalsContact CH2-O 3.31Å; W473-C522 WeakPolarHBondContact CH2-O 3.32Å; W473-C522 VanDerWaalsContact CZ2-O 3.27Å; W473-C522 WeakPolarHBondContact CZ2-O 3.33Å; W473-F610 HydrophobicContact CH2-CE1 4.15Å; W473-F610 HydrophobicContact CH2-CZ 4.28Å; W473-F610 HydrophobicContact CZ2-CE1 4.12Å; W473-F610 HydrophobicContact CZ3-CZ 4.27Å; W473-K619 HydrophobicContact CB-CD 4.21Å; W473-K619 HydrophobicContact CD2-CD 4.2Å; W473-K619 HydrophobicContact CD2-CG 4.3Å; W473-K619 HydrophobicContact CG-CD 3.77Å; W473-K619 HydrophobicContact CG-CG 4.08Å; W473-H621 AromaticContact CH2-CE1 3.94Å
474E95.2Very high95.4Very high57 Ų5742.3 Ų42.327%0.26620%0.198SC..Hα-helixtrans-61.7-33.6174.7-62.5170.4156.500110.5Y469 K470 D471 D478Y469-E474 HydrophobicContact CD1-CB 3.69Å; Y469-E474 HydrophobicContact CE1-CB 4.24Å; K470-E474 PolarHBondContact N-OE2 3.43Å; D471-E474 HydrophobicContact CB-CG 4.36Å; D471-E474 PolarHBondContact N-OE2 3.43Å; D471-E474 VanDerWaalsContact N-OE2 3.08Å; D471-E474 WeakPolarHBondContact O-CB 3.17Å; D471-E474 PolarHBondContact O-N 3.06Å; E474-D478 PolarHBondContact O-N 3.26Å; E474-D478 VanDerWaalsContact O-N 3.12Å
475I96.7Very high95.4Very high0 Ų042.6 Ų42.60%020%0.2CC..Hα-helixtrans-69.9-45.1174.4-46.8165.1000110.5L413 F417 I460 L464 Y469 P472 W473 D478 F479L413-I475 HydrophobicContact CB-CD1 4.23Å; L413-I475 HydrophobicContact CD2-CD1 4.32Å; F417-I475 HydrophobicContact CB-CD1 4.1Å; F417-I475 HydrophobicContact CB-CG2 4.36Å; F417-I475 HydrophobicContact CD1-CB 3.88Å; F417-I475 HydrophobicContact CD1-CD1 3.84Å; F417-I475 HydrophobicContact CD1-CG1 4.46Å; F417-I475 HydrophobicContact CD1-CG2 3.48Å; F417-I475 VanDerWaalsContact CD1-CG2 3.48Å; F417-I475 HydrophobicContact CD2-CD1 3.56Å; F417-I475 HydrophobicContact CE1-CB 3.85Å; F417-I475 HydrophobicContact CE1-CD1 4.05Å; F417-I475 HydrophobicContact CE1-CG2 3.94Å; F417-I475 HydrophobicContact CE2-CD1 3.81Å; F417-I475 HydrophobicContact CG-CB 4.47Å; F417-I475 HydrophobicContact CG-CD1 3.56Å; F417-I475 HydrophobicContact CG-CG2 4.1Å; F417-I475 HydrophobicContact CZ-CB 4.46Å; F417-I475 HydrophobicContact CZ-CD1 4.04Å; I460-I475 HydrophobicContact CG2-CG2 4.26Å; L464-I475 HydrophobicContact CD1-CD1 3.73Å; L464-I475 HydrophobicContact CD1-CG1 4.4Å; Y469-I475 HydrophobicContact CD1-CG1 3.8Å; Y469-I475 HydrophobicContact CD2-CD1 4.34Å; Y469-I475 HydrophobicContact CD2-CG1 3.65Å; Y469-I475 HydrophobicContact CE1-CG1 4.14Å; Y469-I475 HydrophobicContact CE2-CG1 3.99Å; Y469-I475 HydrophobicContact CE2-CG2 4.42Å; Y469-I475 HydrophobicContact CG-CD1 4.36Å; Y469-I475 HydrophobicContact CG-CG1 3.53Å; P472-I475 PolarHBondContact O-N 2.91Å; W473-I475 PolarHBondContact O-N 3.25Å; I475-D478 PolarHBondContact O-N 2.86Å; I475-F479 HydrophobicContact CG2-CD2 4.2Å; I475-F479 HydrophobicContact CG2-CE2 4.15Å; I475-F479 WeakPolarHBondContact O-CD2 3.46Å; I475-F479 PolarHBondContact O-N 3.46Å
476V95.6Very high95.4Very high0 Ų039.5 Ų39.50%019%0.187CC..Hα-helixtrans-65.1-41.1178.2175.60000111.7F417 P472 W473 D478 F479 W480 F507 I511 M515F417-V476 HydrophobicContact CE1-CG2 3.91Å; F417-V476 HydrophobicContact CZ-CG2 4.33Å; P472-V476 WeakPolarHBondContact O-CG2 3.28Å; P472-V476 PolarHBondContact O-N 3.38Å; W473-V476 HydrophobicContact CE3-CB 4.09Å; W473-V476 HydrophobicContact CE3-CG1 3.88Å; W473-V476 HydrophobicContact CZ3-CG1 4Å; W473-V476 PolarHBondContact O-N 3.01Å; W473-V476 VanDerWaalsContact O-N 3.14Å; V476-D478 VanDerWaalsContact C-N 3.35Å; V476-F479 WeakPolarHBondContact O-CB 3.48Å; V476-F479 PolarHBondContact O-N 3.15Å; V476-W480 PolarHBondContact O-N 2.93Å; V476-F507 HydrophobicContact CG1-CZ 4.22Å; V476-I511 HydrophobicContact CG2-CD1 3.69Å; V476-I511 HydrophobicContact CG2-CG1 3.72Å; V476-M515 HydrophobicContact CG2-CE 4.11Å; V476-M515 HydrophobicContact CG2-CG 4.38Å; V476-M515 HydrophobicContact CG2-SD 4.11Å
477D94.5Very high95.3Very high68 Ų6837.4 Ų37.436%0.36417%0.171SC..Hα-helixtrans-68.9-33.9-179.4-66.1-26.7000110.1W473 W480 L481 K619W473-D477 WeakPolarHBondContact O-CB 3.27Å; W473-D477 PolarHBondContact O-N 3.29Å; D477-W480 PolarHBondContact O-N 2.96Å; D477-L481 WeakPolarHBondContact O-CB 3.3Å; D477-L481 PolarHBondContact O-N 3.43Å; D477-K619 IonicContact OD2-NZ 2.91Å; D477-K619 PolarHBondContact OD2-NZ 3.47Å; D477-K619 VanDerWaalsContact OD2-NZ 3.15Å
478D97.5Very high95.3Very high20 Ų2035.6 Ų35.611%0.10717%0.172CC..Hα-helixtrans-68.7-41.1169.4-87.6-9.4000113.5M455 I460 K463 Y469 E474 I475 V476 W480 L481 M482M455-D478 HydrophobicContact CE-CB 4.46Å; M455-D478 HydrophobicContact CG-CB 4.15Å; M455-D478 WeakPolarHBondContact CG-O 3.49Å; M455-D478 HydrophobicContact SD-CB 4.27Å; I460-D478 HydrophobicContact CD1-CB 4.39Å; I460-D478 HydrophobicContact CG1-CB 4.12Å; K463-D478 IonicContact NZ-OD1 2.59Å; K463-D478 IonicContact NZ-OD2 2.69Å; K463-D478 PolarHBondContact NZ-OD2 3.29Å; Y469-D478 WeakPolarHBondContact CE1-OD2 3.47Å; Y469-D478 VanDerWaalsContact CZ-OD2 3.3Å; Y469-D478 PolarHBondContact OH-OD2 3.45Å; E474-D478 PolarHBondContact O-N 3.26Å; E474-D478 VanDerWaalsContact O-N 3.12Å; I475-D478 PolarHBondContact O-N 2.86Å; V476-D478 VanDerWaalsContact C-N 3.35Å; D478-W480 VanDerWaalsContact C-N 3.28Å; D478-W480 PolarHBondContact O-N 2.96Å; D478-L481 WeakPolarHBondContact O-CB 3.31Å; D478-L481 PolarHBondContact O-N 3.14Å; D478-M482 PolarHBondContact O-N 2.89Å
479F97Very high95.3Very high1 Ų133.3 Ų33.30%0.00416%0.159CC..Hα-helixtrans-58.6-42.3171.7-92.9-77.3000111.1V420 V421 I424 L457 I460 I475 V476 M482 L483 F507V420-F479 HydrophobicContact CG1-CE2 4.4Å; V420-F479 HydrophobicContact CG1-CZ 4.17Å; V421-F479 HydrophobicContact CB-CZ 4.44Å; V421-F479 HydrophobicContact CG2-CE2 3.98Å; V421-F479 HydrophobicContact CG2-CZ 3.69Å; I424-F479 HydrophobicContact CD1-CD1 4.42Å; I424-F479 HydrophobicContact CD1-CE1 3.71Å; I424-F479 HydrophobicContact CD1-CZ 4.12Å; I424-F479 HydrophobicContact CG2-CE1 4.39Å; L457-F479 HydrophobicContact CD2-CD1 4.28Å; L457-F479 HydrophobicContact CD2-CE1 3.6Å; L457-F479 HydrophobicContact CD2-CZ 4.37Å; I460-F479 HydrophobicContact CD1-CB 4.49Å; I460-F479 HydrophobicContact CD1-CD1 4.08Å; I460-F479 HydrophobicContact CD1-CD2 4.35Å; I460-F479 HydrophobicContact CD1-CE1 4.47Å; I460-F479 HydrophobicContact CD1-CG 4.02Å; I460-F479 HydrophobicContact CG2-CD2 4.26Å; I460-F479 HydrophobicContact CG2-CE2 3.93Å; I460-F479 HydrophobicContact CG2-CZ 4.32Å; I475-F479 HydrophobicContact CG2-CD2 4.2Å; I475-F479 HydrophobicContact CG2-CE2 4.15Å; I475-F479 WeakPolarHBondContact O-CD2 3.46Å; I475-F479 PolarHBondContact O-N 3.46Å; V476-F479 WeakPolarHBondContact O-CB 3.48Å; V476-F479 PolarHBondContact O-N 3.15Å; F479-M482 HydrophobicContact CD1-CE 4.19Å; F479-L483 WeakPolarHBondContact O-CG 3.13Å; F479-L483 PolarHBondContact O-N 2.96Å; F479-F507 HydrophobicContact CB-CD1 4.34Å; F479-F507 HydrophobicContact CB-CE1 3.6Å; F479-F507 HydrophobicContact CB-CE2 3.84Å; F479-F507 HydrophobicContact CB-CZ 3.31Å; F479-F507 HydrophobicContact CD1-CD2 4.14Å; F479-F507 AromaticContact CD1-CE2 3.97Å; F479-F507 HydrophobicContact CD1-CE2 3.97Å; F479-F507 HydrophobicContact CD1-CZ 4.31Å; F479-F507 AromaticContact CD2-CE2 3.79Å; F479-F507 HydrophobicContact CD2-CE2 3.79Å; F479-F507 AromaticContact CD2-CZ 3.98Å; F479-F507 HydrophobicContact CD2-CZ 3.98Å; F479-F507 HydrophobicContact CE1-CD2 4.46Å; F479-F507 HydrophobicContact CE1-CE2 4.43Å; F479-F507 HydrophobicContact CE2-CE2 4.27Å; F479-F507 HydrophobicContact CG-CD2 4.26Å; F479-F507 HydrophobicContact CG-CE1 4.28Å; F479-F507 AromaticContact CG-CE2 3.63Å; F479-F507 HydrophobicContact CG-CE2 3.63Å; F479-F507 AromaticContact CG-CZ 3.65Å; F479-F507 HydrophobicContact CG-CZ 3.65Å
480W94.8Very high95.2Very high12 Ų1234.6 Ų34.65%0.04517%0.167CC..Hα-helixtrans-69.5-33.7174.2-75.3118.8000112.9V476 D477 D478 L483 N484 W487 A504 F507 E508 E525V476-W480 PolarHBondContact O-N 2.93Å; D477-W480 PolarHBondContact O-N 2.96Å; D478-W480 VanDerWaalsContact C-N 3.28Å; D478-W480 PolarHBondContact O-N 2.96Å; W480-L483 HydrophobicContact CE3-CB 4.44Å; W480-L483 HydrophobicContact CE3-CD1 3.85Å; W480-L483 HydrophobicContact CZ3-CD1 3.95Å; W480-L483 PolarHBondContact O-N 3.39Å; W480-N484 VanDerWaalsContact O-CB 3.24Å; W480-N484 WeakPolarHBondContact O-CB 3.24Å; W480-N484 PolarHBondContact O-N 2.65Å; W480-N484 PolarHBondContact O-ND2 3.36Å; W480-W487 HydrophobicContact CZ3-CH2 4.06Å; W480-W487 HydrophobicContact CZ3-CZ3 4.23Å; W480-A504 HydrophobicContact CZ3-CB 4.25Å; W480-F507 HydrophobicContact CD2-CE1 4.14Å; W480-F507 AromaticContact CE2-CE1 3.7Å; W480-F507 HydrophobicContact CG-CE1 4.36Å; W480-F507 HydrophobicContact CH2-CD1 4.45Å; W480-F507 HydrophobicContact CZ2-CD1 4.08Å; W480-F507 HydrophobicContact CZ2-CE1 4.06Å; W480-F507 AromaticContact NE1-CE1 3.65Å; W480-E508 HydrophobicContact CH2-CG 3.88Å; W480-E508 HydrophobicContact CZ2-CG 3.91Å; W480-E525 HydrophobicContact CD2-CB 4.32Å; W480-E525 HydrophobicContact CZ2-CB 3.99Å
481L96.3Very high95.2Very high50 Ų5035.5 Ų35.526%0.26217%0.17SC..Hα-helixtrans-60.3-48.7174177.659.1000111D453 M455 D477 D478 L483 N484 N485D453-L481 HydrophobicContact CB-CD1 4.42Å; D453-L481 HydrophobicContact CB-CD2 4.16Å; M455-L481 HydrophobicContact CB-CB 4.38Å; M455-L481 HydrophobicContact CB-CD2 4.01Å; M455-L481 HydrophobicContact CB-CG 3.97Å; M455-L481 HydrophobicContact CE-CD2 4.33Å; D477-L481 WeakPolarHBondContact O-CB 3.3Å; D477-L481 PolarHBondContact O-N 3.43Å; D478-L481 WeakPolarHBondContact O-CB 3.31Å; D478-L481 PolarHBondContact O-N 3.14Å; L481-L483 PolarHBondContact O-N 3.45Å; L481-N484 PolarHBondContact O-N 2.99Å; L481-N485 VanDerWaalsContact O-CB 3.27Å; L481-N485 WeakPolarHBondContact O-CB 3.36Å; L481-N485 PolarHBondContact O-N 2.95Å; L481-N485 PolarHBondContact O-ND2 2.81Å
482M97.8Very high95.1Very high5 Ų540.5 Ų40.53%0.02519%0.191CC..Hα-helixtrans-54-48.1174.9176.9-172.274.400112.4F433 M455 L457 I460 D478 F479 A486 L503F433-M482 HydrophobicContact CB-SD 3.9Å; F433-M482 HydrophobicContact CD1-CG 3.97Å; F433-M482 HydrophobicContact CD1-SD 4.27Å; F433-M482 HydrophobicContact CG-SD 4.48Å; M455-M482 HydrophobicContact CB-CB 4.14Å; M455-M482 HydrophobicContact CG-CB 4.15Å; M455-M482 WeakPolarHBondContact O-CG 3.41Å; L457-M482 HydrophobicContact CD2-CE 3.96Å; L457-M482 HydrophobicContact CD2-SD 3.99Å; L457-M482 HydrophobicContact CG-CE 4.24Å; L457-M482 HydrophobicContact CG-SD 3.78Å; I460-M482 HydrophobicContact CD1-SD 4.36Å; D478-M482 PolarHBondContact O-N 2.89Å; F479-M482 HydrophobicContact CD1-CE 4.19Å; M482-A486 PolarHBondContact O-N 3.35Å; M482-L503 HydrophobicContact CE-CD2 4.44Å
483L96.1Very high95Very high1 Ų145.8 Ų45.81%0.00522%0.224CC..Hα-helixtrans-69-43.8-179.6-64.8166.6000112F479 W480 L481 A486 W487 C500 L503 A504 F507F479-L483 WeakPolarHBondContact O-CG 3.13Å; F479-L483 PolarHBondContact O-N 2.96Å; W480-L483 HydrophobicContact CE3-CB 4.44Å; W480-L483 HydrophobicContact CE3-CD1 3.85Å; W480-L483 HydrophobicContact CZ3-CD1 3.95Å; W480-L483 PolarHBondContact O-N 3.39Å; L481-L483 PolarHBondContact O-N 3.45Å; L483-A486 PolarHBondContact O-N 2.96Å; L483-W487 HydrophobicContact CB-CH2 4.41Å; L483-W487 HydrophobicContact CB-CZ3 4.25Å; L483-W487 PolarHBondContact O-N 2.84Å; L483-C500 VanDerWaalsContact CD2-SG 3.58Å; L483-C500 PolarHBondContact O-SG 3.49Å; L483-L503 HydrophobicContact CD2-CB 4.35Å; L483-L503 HydrophobicContact CD2-CD2 4.37Å; L483-A504 HydrophobicContact CD1-CB 3.84Å; L483-A504 HydrophobicContact CD2-CB 4.22Å; L483-F507 HydrophobicContact CD1-CD1 4Å
484N93.8Very high95Very high54 Ų5447 Ų4729%0.28923%0.233SC..Hα-helixtrans-66.8-39.3179.1-77.5-60000112.2W480 L481 A486 W487 L488W480-N484 VanDerWaalsContact O-CB 3.24Å; W480-N484 WeakPolarHBondContact O-CB 3.24Å; W480-N484 PolarHBondContact O-N 2.65Å; W480-N484 PolarHBondContact O-ND2 3.36Å; L481-N484 PolarHBondContact O-N 2.99Å; N484-A486 VanDerWaalsContact C-N 3.31Å; N484-A486 PolarHBondContact O-N 3.21Å; N484-W487 PolarHBondContact O-N 2.9Å; N484-L488 VanDerWaalsContact O-CB 3.24Å; N484-L488 WeakPolarHBondContact O-CB 3.23Å; N484-L488 PolarHBondContact O-N 2.97Å
485N96.6Very high95Very high10 Ų1050.6 Ų50.65%0.05325%0.248CC..Hα-helixtrans-57.7-44.1173.1-74.9-20.6000111.7V451 D453 L481 L488 Y489V451-N485 HydrophobicContact CG1-CB 3.97Å; V451-N485 VanDerWaalsContact CG1-CG 3.47Å; V451-N485 HydrophobicContact CG2-CB 4.05Å; D453-N485 PolarHBondContact O-ND2 3.27Å; L481-N485 VanDerWaalsContact O-CB 3.27Å; L481-N485 WeakPolarHBondContact O-CB 3.36Å; L481-N485 PolarHBondContact O-N 2.95Å; L481-N485 PolarHBondContact O-ND2 2.81Å; N485-L488 PolarHBondContact O-N 2.95Å; N485-Y489 PolarHBondContact O-N 3.46Å
486A96.5Very high95Very high8 Ų852.4 Ų52.47%0.06626%0.259CS..Hα-helixtrans-67.1-40.7177.700000112.3F433 M482 L483 N484 N490 C500F433-A486 HydrophobicContact CE1-CB 3.62Å; F433-A486 HydrophobicContact CZ-CB 4.28Å; M482-A486 PolarHBondContact O-N 3.35Å; L483-A486 PolarHBondContact O-N 2.96Å; N484-A486 VanDerWaalsContact C-N 3.31Å; N484-A486 PolarHBondContact O-N 3.21Å; A486-N490 WeakPolarHBondContact O-CB 3.36Å; A486-N490 PolarHBondContact O-N 3.27Å; A486-N490 PolarHBondContact O-ND2 3.25Å; A486-C500 HydrophobicContact CB-CB 4.34Å
487W94.5Very high95Very high62 Ų6254.6 Ų54.624%0.23527%0.267CS..Hα-helixtrans-69.2-28.5173.6-70.7-36.5000114.1W480 L483 N484 Y497 T501 A504W480-W487 HydrophobicContact CZ3-CH2 4.06Å; W480-W487 HydrophobicContact CZ3-CZ3 4.23Å; L483-W487 HydrophobicContact CB-CH2 4.41Å; L483-W487 HydrophobicContact CB-CZ3 4.25Å; L483-W487 PolarHBondContact O-N 2.84Å; N484-W487 PolarHBondContact O-N 2.9Å; W487-Y497 HydrophobicContact CB-CD2 4.3Å; W487-Y497 HydrophobicContact CB-CE2 3.73Å; W487-Y497 AromaticContact CD1-CD2 3.6Å; W487-Y497 AromaticContact CD1-CE1 3.84Å; W487-Y497 AromaticContact CD1-CE2 3.39Å; W487-Y497 AromaticContact CD1-CG 3.91Å; W487-Y497 AromaticContact CD1-CZ 3.5Å; W487-Y497 HydrophobicContact CG-CD2 4.32Å; W487-Y497 AromaticContact CG-CE2 3.83Å; W487-Y497 HydrophobicContact CG-CE2 3.83Å; W487-Y497 WeakPolarHBondContact O-CE2 3.47Å; W487-T501 PolarHBondContact NE1-OG1 2.9Å; W487-A504 HydrophobicContact CH2-CB 3.61Å; W487-A504 HydrophobicContact CZ2-CB 3.65Å
488L93.3Very high95Very high111 Ų11156.2 Ų56.258%0.58127%0.271SS*.Hα-helixtrans-72-48.6176.7176.762.4000111.3I450 N484 N485I450-L488 HydrophobicContact CG2-CD2 4.43Å; I450-L488 HydrophobicContact CG2-CG 4.09Å; I450-L488 WeakPolarHBondContact O-CD2 3.32Å; N484-L488 VanDerWaalsContact O-CB 3.24Å; N484-L488 WeakPolarHBondContact O-CB 3.23Å; N484-L488 PolarHBondContact O-N 2.97Å; N485-L488 PolarHBondContact O-N 2.95Å
489Y96.1Very high95Very high52 Ų5255.4 Ų55.420%0.20427%0.267CS..Hα-helixtrans-75.1-37.3-178.6-172.4-97.1000112.8I444 D446 Y447 I450 N485I444-Y489 HydrophobicContact CB-CE1 4.47Å; I444-Y489 WeakPolarHBondContact CB-OH 3.35Å; I444-Y489 HydrophobicContact CD1-CE1 4.22Å; I444-Y489 HydrophobicContact CG2-CE1 4.29Å; I444-Y489 VanDerWaalsContact CG2-OH 3.32Å; I444-Y489 WeakPolarHBondContact CG2-OH 3.29Å; D446-Y489 WeakPolarHBondContact OD1-CE2 3.47Å; D446-Y489 PolarHBondContact OD1-OH 2.72Å; Y447-Y489 AromaticContact CD2-CD1 3.89Å; Y447-Y489 HydrophobicContact CD2-CD1 3.89Å; Y447-Y489 AromaticContact CD2-CD2 3.63Å; Y447-Y489 HydrophobicContact CD2-CD2 3.63Å; Y447-Y489 HydrophobicContact CD2-CE1 4.19Å; Y447-Y489 AromaticContact CD2-CE2 3.96Å; Y447-Y489 HydrophobicContact CD2-CE2 3.96Å; Y447-Y489 AromaticContact CD2-CG 3.63Å; Y447-Y489 HydrophobicContact CD2-CG 3.63Å; Y447-Y489 HydrophobicContact CE2-CD1 4.3Å; Y447-Y489 HydrophobicContact CE2-CD2 4.35Å; Y447-Y489 AromaticContact CE2-CG 3.99Å; Y447-Y489 HydrophobicContact CE2-CG 3.99Å; Y447-Y489 HydrophobicContact CG-CD2 4.42Å; Y447-Y489 HydrophobicContact CG-CE2 4.48Å; I450-Y489 HydrophobicContact CB-CD2 4.08Å; I450-Y489 HydrophobicContact CD1-CD2 4.03Å; I450-Y489 HydrophobicContact CD1-CE2 3.96Å; I450-Y489 HydrophobicContact CG2-CD2 4.03Å; N485-Y489 PolarHBondContact O-N 3.46Å
490N95.1Very high95Very high35 Ų3555.4 Ų55.419%0.18727%0.267CS..SBendtrans-91.4139-171.9-71.5-91.9000114A486 S494 V496 Y497A486-N490 WeakPolarHBondContact O-CB 3.36Å; A486-N490 PolarHBondContact O-N 3.27Å; A486-N490 PolarHBondContact O-ND2 3.25Å; N490-S494 PolarHBondContact OD1-OG 2.84Å; N490-V496 WeakPolarHBondContact OD1-CB 3.43Å; N490-Y497 HydrophobicContact CB-CD2 4.31Å; N490-Y497 VanDerWaalsContact O-CD2 3.25Å; N490-Y497 WeakPolarHBondContact O-CD2 3.36Å
491K90.8Very high95Very high171 Ų17157 Ų5774%0.74328%0.278SS*.  trans-65.9139.4168.1-66.1176.3-1781710110.7T493 S494 Y497K491-T493 PolarHBondContact O-N 2.9Å; K491-S494 WeakPolarHBondContact O-CB 3.34Å; K491-S494 PolarHBondContact O-N 3.1Å; K491-S494 PolarHBondContact O-OG 3.32Å; K491-Y497 WeakPolarHBondContact O-CB 3.42Å
492K90.7Very high95Very high128 Ų12859.2 Ų59.256%0.55728%0.283SS*.THydrogen-bonded Turntrans-51.9-19.4-179.6-57.2-164176.2-178.60115.5Y497K492-Y497 HydrophobicContact CB-CD1 4.29Å; K492-Y497 HydrophobicContact CB-CE1 4.16Å; K492-Y497 HydrophobicContact CG-CD2 4.43Å; K492-Y497 HydrophobicContact CG-CE1 4Å; K492-Y497 HydrophobicContact CG-CE2 3.91Å
493T91.4Very high94.9Very high111 Ų11159 Ų5968%0.68128%0.282SS*.THydrogen-bonded Turntrans-85.3-16.8177.948.80000114.6K491 K498K491-T493 PolarHBondContact O-N 2.9Å; T493-K498 WeakPolarHBondContact O-CE 3.46Å; T493-K498 PolarHBondContact O-NZ 2.84Å
494S95.1Very high94.9Very high32 Ų3259.2 Ų59.222%0.22428%0.284CS..SBendtrans-71165-171.888.70000113.9N490 K491 V496 Y497 K498N490-S494 PolarHBondContact OD1-OG 2.84Å; K491-S494 WeakPolarHBondContact O-CB 3.34Å; K491-S494 PolarHBondContact O-N 3.1Å; K491-S494 PolarHBondContact O-OG 3.32Å; S494-V496 PolarHBondContact OG-N 2.88Å; S494-Y497 PolarHBondContact OG-N 3.24Å; S494-Y497 VanDerWaalsContact OG-N 3.08Å; S494-K498 WeakPolarHBondContact O-CD 3.17Å; S494-K498 WeakPolarHBondContact O-CG 3.29Å; S494-K498 PolarHBondContact O-N 3Å
495K94.9Very high94.9Very high131 Ų13162.2 Ų62.257%0.5730%0.296SS*.Hα-helixtrans-59-51.8170.8-172.3-165.4179.6-163.50109.9E431 Y497 K498 T499E431-K495 IonicContact OE1-NZ 2.87Å; E431-K495 IonicContact OE2-NZ 2.92Å; E431-K495 PolarHBondContact OE2-NZ 2.94Å; K495-Y497 PolarHBondContact O-N 3.32Å; K495-K498 PolarHBondContact O-N 3.33Å; K495-K498 VanDerWaalsContact O-N 3.1Å; K495-T499 HydrophobicContact CG-CG2 4.23Å; K495-T499 WeakPolarHBondContact O-CG2 3.48Å; K495-T499 PolarHBondContact O-N 2.72Å; K495-T499 PolarHBondContact O-OG1 3.34Å
496V95.8Very high94.7Very high39 Ų3963.5 Ų63.524%0.23630%0.304CS..Hα-helixtrans-63.6-39.8-173.1-177.20000112.6P432 F433 N490 S494 K498 T499 C500P432-V496 HydrophobicContact CB-CG1 4.24Å; P432-V496 HydrophobicContact CB-CG2 4.43Å; P432-V496 HydrophobicContact CG-CG2 4.36Å; F433-V496 HydrophobicContact CZ-CG1 4.31Å; N490-V496 WeakPolarHBondContact OD1-CB 3.43Å; S494-V496 PolarHBondContact OG-N 2.88Å; V496-K498 VanDerWaalsContact C-N 3.3Å; V496-K498 PolarHBondContact O-N 2.97Å; V496-T499 WeakPolarHBondContact CA-OG1 3.29Å; V496-T499 PolarHBondContact O-N 3.4Å; V496-T499 PolarHBondContact O-OG1 3.45Å; V496-C500 WeakPolarHBondContact O-CB 3.17Å; V496-C500 PolarHBondContact O-N 3.14Å
497Y96.3Very high94.7Very high45 Ų4563.2 Ų63.218%0.17630%0.302CS..Hα-helixtrans-62-41.3174.9-166.6-79.3000111.3W487 N490 K491 K492 S494 K495 C500 T501W487-Y497 HydrophobicContact CB-CD2 4.3Å; W487-Y497 HydrophobicContact CB-CE2 3.73Å; W487-Y497 AromaticContact CD1-CD2 3.6Å; W487-Y497 AromaticContact CD1-CE1 3.84Å; W487-Y497 AromaticContact CD1-CE2 3.39Å; W487-Y497 AromaticContact CD1-CG 3.91Å; W487-Y497 AromaticContact CD1-CZ 3.5Å; W487-Y497 HydrophobicContact CG-CD2 4.32Å; W487-Y497 AromaticContact CG-CE2 3.83Å; W487-Y497 HydrophobicContact CG-CE2 3.83Å; W487-Y497 WeakPolarHBondContact O-CE2 3.47Å; N490-Y497 HydrophobicContact CB-CD2 4.31Å; N490-Y497 VanDerWaalsContact O-CD2 3.25Å; N490-Y497 WeakPolarHBondContact O-CD2 3.36Å; K491-Y497 WeakPolarHBondContact O-CB 3.42Å; K492-Y497 HydrophobicContact CB-CD1 4.29Å; K492-Y497 HydrophobicContact CB-CE1 4.16Å; K492-Y497 HydrophobicContact CG-CD2 4.43Å; K492-Y497 HydrophobicContact CG-CE1 4Å; K492-Y497 HydrophobicContact CG-CE2 3.91Å; S494-Y497 PolarHBondContact OG-N 3.24Å; S494-Y497 VanDerWaalsContact OG-N 3.08Å; K495-Y497 PolarHBondContact O-N 3.32Å; Y497-C500 WeakPolarHBondContact O-CB 3.32Å; Y497-C500 PolarHBondContact O-N 3.06Å; Y497-T501 PolarHBondContact O-N 2.86Å; Y497-T501 PolarHBondContact O-OG1 3.4Å
498K95.1Very high94.6Very high103 Ų10363.1 Ų63.145%0.44830%0.304SS..Hα-helixtrans-73.3-34.2-179.2-68.4168179.8160.50113T493 S494 K495 V496 R502T493-K498 WeakPolarHBondContact O-CE 3.46Å; T493-K498 PolarHBondContact O-NZ 2.84Å; S494-K498 WeakPolarHBondContact O-CD 3.17Å; S494-K498 WeakPolarHBondContact O-CG 3.29Å; S494-K498 PolarHBondContact O-N 3Å; K495-K498 PolarHBondContact O-N 3.33Å; K495-K498 VanDerWaalsContact O-N 3.1Å; V496-K498 VanDerWaalsContact C-N 3.3Å; V496-K498 PolarHBondContact O-N 2.97Å; K498-R502 PolarHBondContact O-N 2.95Å; K498-R502 PolarHBondContact O-NH1 2.86Å
499T96.1Very high94.6Very high3 Ų362.3 Ų62.32%0.01830%0.304CS..Hα-helixtrans-69-43.8171.456.80000110D429 K495 V496 T501 R502 L503D429-T499 HydrophobicContact CB-CG2 4.4Å; D429-T499 WeakPolarHBondContact OD1-CG2 3.44Å; K495-T499 HydrophobicContact CG-CG2 4.23Å; K495-T499 WeakPolarHBondContact O-CG2 3.48Å; K495-T499 PolarHBondContact O-N 2.72Å; K495-T499 PolarHBondContact O-OG1 3.34Å; V496-T499 WeakPolarHBondContact CA-OG1 3.29Å; V496-T499 PolarHBondContact O-N 3.4Å; V496-T499 PolarHBondContact O-OG1 3.45Å; T499-T501 VanDerWaalsContact C-N 3.33Å; T499-T501 PolarHBondContact O-N 3.46Å; T499-R502 PolarHBondContact O-N 3.41Å; T499-R502 VanDerWaalsContact O-N 3.17Å; T499-L503 WeakPolarHBondContact O-CB 3.39Å; T499-L503 PolarHBondContact O-N 2.63Å
500C97.4Very high94.6Very high0 Ų060.7 Ų60.70%030%0.299CS..Hα-helixtrans-53-45.8174.6-165.60000112.7F433 L483 A486 V496 Y497 L503 A504F433-C500 HydrophobicContact CE1-CB 4.29Å; F433-C500 HydrophobicContact CZ-CB 3.71Å; L483-C500 VanDerWaalsContact CD2-SG 3.58Å; L483-C500 PolarHBondContact O-SG 3.49Å; A486-C500 HydrophobicContact CB-CB 4.34Å; V496-C500 WeakPolarHBondContact O-CB 3.17Å; V496-C500 PolarHBondContact O-N 3.14Å; Y497-C500 WeakPolarHBondContact O-CB 3.32Å; Y497-C500 PolarHBondContact O-N 3.06Å; C500-L503 PolarHBondContact O-N 3.39Å; C500-A504 WeakPolarHBondContact O-CB 3.29Å; C500-A504 PolarHBondContact O-N 3.22Å
501T95Very high94.6Very high46 Ų4659 Ų5928%0.28229%0.29SS..Hα-helixtrans-61.6-44.4178.1-61.80000112.8W487 Y497 T499 A504 E505W487-T501 PolarHBondContact NE1-OG1 2.9Å; Y497-T501 PolarHBondContact O-N 2.86Å; Y497-T501 PolarHBondContact O-OG1 3.4Å; T499-T501 VanDerWaalsContact C-N 3.33Å; T499-T501 PolarHBondContact O-N 3.46Å; T501-A504 PolarHBondContact O-N 2.85Å; T501-E505 WeakPolarHBondContact O-CG 3.37Å; T501-E505 PolarHBondContact O-N 2.89Å; T501-E505 VanDerWaalsContact O-N 3.09Å
502R95.7Very high94.8Very high96 Ų9651.4 Ų51.436%0.36226%0.257SS..Hα-helixtrans-68-37.2175.9-69.9-171.4-61.1-77.60.6112.6D429 K498 T499 A504 E505 T506D429-R502 VanDerWaalsContact CG-NE 3.33Å; D429-R502 IonicContact OD1-CZ 3.78Å; D429-R502 IonicContact OD1-NE 2.67Å; D429-R502 PolarHBondContact OD1-NE 2.83Å; D429-R502 IonicContact OD1-NH2 3.65Å; D429-R502 PolarHBondContact OD1-NH2 3.49Å; D429-R502 IonicContact OD2-CZ 2.75Å; D429-R502 IonicContact OD2-NE 3.4Å; D429-R502 PolarHBondContact OD2-NE 3.42Å; D429-R502 IonicContact OD2-NH2 3.14Å; K498-R502 PolarHBondContact O-N 2.95Å; K498-R502 PolarHBondContact O-NH1 2.86Å; T499-R502 PolarHBondContact O-N 3.41Å; T499-R502 VanDerWaalsContact O-N 3.17Å; R502-A504 VanDerWaalsContact C-N 3.33Å; R502-A504 PolarHBondContact O-N 3.11Å; R502-E505 PolarHBondContact O-N 3.35Å; R502-T506 PolarHBondContact O-N 3.5Å; R502-T506 PolarHBondContact O-OG1 3.17Å
503L96.6Very high95Very high2 Ų248.8 Ų48.81%0.0125%0.253CS..Hα-helixtrans-66-37.1178.1-162.468.8000111.5I424 E427 A430 F433 M482 L483 T499 C500 T506 F507I424-L503 HydrophobicContact CG2-CD1 3.83Å; I424-L503 HydrophobicContact CG2-CD2 4.47Å; I424-L503 HydrophobicContact CG2-CG 4.16Å; E427-L503 HydrophobicContact CB-CD1 3.9Å; E427-L503 HydrophobicContact CG-CD1 4.4Å; A430-L503 HydrophobicContact CB-CD1 3.92Å; A430-L503 HydrophobicContact CB-CD2 4.35Å; F433-L503 HydrophobicContact CB-CD2 4.36Å; F433-L503 HydrophobicContact CD2-CD2 3.57Å; F433-L503 HydrophobicContact CE2-CD2 3.91Å; F433-L503 HydrophobicContact CG-CD2 3.91Å; M482-L503 HydrophobicContact CE-CD2 4.44Å; L483-L503 HydrophobicContact CD2-CB 4.35Å; L483-L503 HydrophobicContact CD2-CD2 4.37Å; T499-L503 WeakPolarHBondContact O-CB 3.39Å; T499-L503 PolarHBondContact O-N 2.63Å; C500-L503 PolarHBondContact O-N 3.39Å; L503-T506 PolarHBondContact O-N 3.14Å; L503-F507 WeakPolarHBondContact O-CB 3.35Å; L503-F507 PolarHBondContact O-N 3.13Å
504A95.1Very high95.3Very high5 Ų544.7 Ų44.74%0.04123%0.228CC..Hα-helixtrans-65.3-44.5172.600000112.5W480 L483 W487 C500 T501 R502 T506 F507 E508W480-A504 HydrophobicContact CZ3-CB 4.25Å; L483-A504 HydrophobicContact CD1-CB 3.84Å; L483-A504 HydrophobicContact CD2-CB 4.22Å; W487-A504 HydrophobicContact CH2-CB 3.61Å; W487-A504 HydrophobicContact CZ2-CB 3.65Å; C500-A504 WeakPolarHBondContact O-CB 3.29Å; C500-A504 PolarHBondContact O-N 3.22Å; T501-A504 PolarHBondContact O-N 2.85Å; R502-A504 VanDerWaalsContact C-N 3.33Å; R502-A504 PolarHBondContact O-N 3.11Å; A504-T506 VanDerWaalsContact C-N 3.34Å; A504-T506 PolarHBondContact O-N 3.45Å; A504-F507 PolarHBondContact O-N 2.67Å; A504-E508 PolarHBondContact O-N 2.88Å
505E93.9Very high95.3Very high117 Ų11743.1 Ų43.155%0.54722%0.217SC..Hα-helixtrans-57.9-46174.2-71.8164.5-177.600111T501 R502 T509T501-E505 WeakPolarHBondContact O-CG 3.37Å; T501-E505 PolarHBondContact O-N 2.89Å; T501-E505 VanDerWaalsContact O-N 3.09Å; R502-E505 PolarHBondContact O-N 3.35Å; E505-T509 WeakPolarHBondContact O-CG2 3.19Å; E505-T509 PolarHBondContact O-N 2.97Å
506T94.2Very high95.3Very high36 Ų3641.6 Ų41.622%0.22121%0.212CC..Hα-helixtrans-63.5-44.8174.5-62.40000112E427 R502 L503 A504 E508 T509 I510E427-T506 HydrophobicContact CG-CG2 3.99Å; R502-T506 PolarHBondContact O-N 3.5Å; R502-T506 PolarHBondContact O-OG1 3.17Å; L503-T506 PolarHBondContact O-N 3.14Å; A504-T506 VanDerWaalsContact C-N 3.34Å; A504-T506 PolarHBondContact O-N 3.45Å; T506-E508 PolarHBondContact O-N 2.8Å; T506-T509 PolarHBondContact O-N 3.29Å; T506-T509 PolarHBondContact O-OG1 2.84Å; T506-I510 HydrophobicContact CG2-CD1 3.68Å; T506-I510 WeakPolarHBondContact O-CG1 3.46Å; T506-I510 PolarHBondContact O-N 3.19Å
507F95.7Very high95.2Very high2 Ų243.2 Ų43.21%0.00923%0.225CC..Hα-helixtrans-56.7-49.9177172.5-128.9000111.8V420 I424 V476 F479 W480 L483 L503 A504 T509 I510 I511V420-F507 HydrophobicContact CG1-CD2 4.49Å; V420-F507 HydrophobicContact CG1-CE2 4.46Å; I424-F507 HydrophobicContact CD1-CB 4.04Å; I424-F507 HydrophobicContact CD1-CD2 3.55Å; I424-F507 HydrophobicContact CD1-CE2 4.46Å; I424-F507 HydrophobicContact CD1-CG 4.21Å; V476-F507 HydrophobicContact CG1-CZ 4.22Å; F479-F507 HydrophobicContact CB-CD1 4.34Å; F479-F507 HydrophobicContact CB-CE1 3.6Å; F479-F507 HydrophobicContact CB-CE2 3.84Å; F479-F507 HydrophobicContact CB-CZ 3.31Å; F479-F507 HydrophobicContact CD1-CD2 4.14Å; F479-F507 AromaticContact CD1-CE2 3.97Å; F479-F507 HydrophobicContact CD1-CE2 3.97Å; F479-F507 HydrophobicContact CD1-CZ 4.31Å; F479-F507 AromaticContact CD2-CE2 3.79Å; F479-F507 HydrophobicContact CD2-CE2 3.79Å; F479-F507 AromaticContact CD2-CZ 3.98Å; F479-F507 HydrophobicContact CD2-CZ 3.98Å; F479-F507 HydrophobicContact CE1-CD2 4.46Å; F479-F507 HydrophobicContact CE1-CE2 4.43Å; F479-F507 HydrophobicContact CE2-CE2 4.27Å; F479-F507 HydrophobicContact CG-CD2 4.26Å; F479-F507 HydrophobicContact CG-CE1 4.28Å; F479-F507 AromaticContact CG-CE2 3.63Å; F479-F507 HydrophobicContact CG-CE2 3.63Å; F479-F507 AromaticContact CG-CZ 3.65Å; F479-F507 HydrophobicContact CG-CZ 3.65Å; W480-F507 HydrophobicContact CD2-CE1 4.14Å; W480-F507 AromaticContact CE2-CE1 3.7Å; W480-F507 HydrophobicContact CG-CE1 4.36Å; W480-F507 HydrophobicContact CH2-CD1 4.45Å; W480-F507 HydrophobicContact CZ2-CD1 4.08Å; W480-F507 HydrophobicContact CZ2-CE1 4.06Å; W480-F507 AromaticContact NE1-CE1 3.65Å; L483-F507 HydrophobicContact CD1-CD1 4Å; L503-F507 WeakPolarHBondContact O-CB 3.35Å; L503-F507 PolarHBondContact O-N 3.13Å; A504-F507 PolarHBondContact O-N 2.67Å; F507-T509 VanDerWaalsContact C-N 3.28Å; F507-T509 PolarHBondContact O-N 3.2Å; F507-I510 PolarHBondContact O-N 3.33Å; F507-I511 HydrophobicContact CD2-CB 3.99Å; F507-I511 HydrophobicContact CD2-CG2 4.18Å; F507-I511 HydrophobicContact CE1-CG2 4.36Å; F507-I511 HydrophobicContact CE2-CB 3.59Å; F507-I511 HydrophobicContact CE2-CD1 4.27Å; F507-I511 HydrophobicContact CE2-CG1 3.83Å; F507-I511 HydrophobicContact CE2-CG2 3.96Å; F507-I511 HydrophobicContact CZ-CB 4.04Å; F507-I511 HydrophobicContact CZ-CG1 3.98Å; F507-I511 HydrophobicContact CZ-CG2 4.05Å; F507-I511 VanDerWaalsContact O-CG2 3.3Å; F507-I511 WeakPolarHBondContact O-CG2 3.41Å; F507-I511 PolarHBondContact O-N 2.89Å
508E92.7Very high95.1Very high60 Ų6041.3 Ų41.328%0.2822%0.218SC..Hα-helixtrans-53.2-43.2178.2-85.9-165.8-138.900112.7W480 A504 T506 I510 D512 R524W480-E508 HydrophobicContact CH2-CG 3.88Å; W480-E508 HydrophobicContact CZ2-CG 3.91Å; A504-E508 PolarHBondContact O-N 2.88Å; T506-E508 PolarHBondContact O-N 2.8Å; E508-I510 VanDerWaalsContact C-N 3.29Å; E508-I510 PolarHBondContact O-N 2.86Å; E508-D512 WeakPolarHBondContact O-CB 3.35Å; E508-D512 PolarHBondContact O-N 3.33Å; E508-R524 IonicContact OE2-NH1 2.97Å
509T93.9Very high95Very high95 Ų9536.6 Ų36.658%0.58320%0.198SC*.Hα-helixtrans-68.5-26.5179.965.10000113.7E505 T506 F507 P513E505-T509 WeakPolarHBondContact O-CG2 3.19Å; E505-T509 PolarHBondContact O-N 2.97Å; T506-T509 PolarHBondContact O-N 3.29Å; T506-T509 PolarHBondContact O-OG1 2.84Å; F507-T509 VanDerWaalsContact C-N 3.28Å; F507-T509 PolarHBondContact O-N 3.2Å; T509-P513 WeakPolarHBondContact O-CD 3.35Å
510I95.6Very high94.9Very high18 Ų1836.7 Ų36.79%0.09220%0.198CC..Hα-helixtrans-88.5-43.6-178.9-62.3163.7000111V420 K423 I424 T506 F507 E508 P513 V514V420-I510 HydrophobicContact CB-CG2 4.28Å; V420-I510 HydrophobicContact CG1-CG2 3.86Å; V420-I510 HydrophobicContact CG2-CG2 3.94Å; K423-I510 HydrophobicContact CD-CD1 3.69Å; K423-I510 HydrophobicContact CD-CG1 4.16Å; K423-I510 HydrophobicContact CG-CD1 3.99Å; I424-I510 HydrophobicContact CD1-CD1 4.44Å; I424-I510 HydrophobicContact CG1-CD1 3.91Å; T506-I510 HydrophobicContact CG2-CD1 3.68Å; T506-I510 WeakPolarHBondContact O-CG1 3.46Å; T506-I510 PolarHBondContact O-N 3.19Å; F507-I510 PolarHBondContact O-N 3.33Å; E508-I510 VanDerWaalsContact C-N 3.29Å; E508-I510 PolarHBondContact O-N 2.86Å; I510-P513 WeakPolarHBondContact O-CD 3.43Å; I510-P513 WeakPolarHBondContact O-CG 3.26Å; I510-V514 WeakPolarHBondContact O-CG2 3.47Å
511I95.5Very high94.8Very high0 Ų037.7 Ų37.70%021%0.205CC..Hα-helixtrans-75.1-31.5-172.5-168.656000113.3F417 V476 F507 V514 M515 G523F417-I511 HydrophobicContact CD1-CD1 4.27Å; F417-I511 HydrophobicContact CE1-CD1 3.57Å; F417-I511 HydrophobicContact CZ-CD1 4.2Å; V476-I511 HydrophobicContact CG2-CD1 3.69Å; V476-I511 HydrophobicContact CG2-CG1 3.72Å; F507-I511 HydrophobicContact CD2-CB 3.99Å; F507-I511 HydrophobicContact CD2-CG2 4.18Å; F507-I511 HydrophobicContact CE1-CG2 4.36Å; F507-I511 HydrophobicContact CE2-CB 3.59Å; F507-I511 HydrophobicContact CE2-CD1 4.27Å; F507-I511 HydrophobicContact CE2-CG1 3.83Å; F507-I511 HydrophobicContact CE2-CG2 3.96Å; F507-I511 HydrophobicContact CZ-CB 4.04Å; F507-I511 HydrophobicContact CZ-CG1 3.98Å; F507-I511 HydrophobicContact CZ-CG2 4.05Å; F507-I511 VanDerWaalsContact O-CG2 3.3Å; F507-I511 WeakPolarHBondContact O-CG2 3.41Å; F507-I511 PolarHBondContact O-N 2.89Å; I511-V514 HydrophobicContact CD1-CB 4.5Å; I511-V514 PolarHBondContact O-N 3.21Å; I511-M515 HydrophobicContact CD1-CG 3.81Å; I511-M515 HydrophobicContact CD1-SD 4.41Å; I511-M515 HydrophobicContact CG1-CG 3.86Å; I511-M515 WeakPolarHBondContact O-CG 3.01Å; I511-M515 PolarHBondContact O-N 3.41Å; I511-G523 WeakPolarHBondContact CG2-O 3.03Å
512D93.9Very high94.7Very high11 Ų1135.7 Ų35.76%0.05919%0.193CC..Hα-helixtrans-59.4-52.6-177-164.124.8000113.7E508 V514 M515 Q516 C522 G523 R524E508-D512 WeakPolarHBondContact O-CB 3.35Å; E508-D512 PolarHBondContact O-N 3.33Å; D512-V514 VanDerWaalsContact C-N 3.33Å; D512-V514 PolarHBondContact O-N 2.73Å; D512-M515 PolarHBondContact O-N 2.87Å; D512-Q516 WeakPolarHBondContact O-CB 3.47Å; D512-Q516 VanDerWaalsContact O-CG 3.24Å; D512-Q516 WeakPolarHBondContact O-CG 3.33Å; D512-Q516 PolarHBondContact O-N 2.82Å; D512-Q516 PolarHBondContact OD1-NE2 3.25Å; D512-Q516 PolarHBondContact OD2-NE2 2.84Å; D512-C522 WeakPolarHBondContact OD1-CA 3.31Å; D512-C522 WeakPolarHBondContact OD1-CB 2.86Å; D512-G523 PolarHBondContact OD1-N 2.93Å; D512-R524 HydrophobicContact CB-CG 4.11Å; D512-R524 IonicContact OD2-CZ 2.7Å; D512-R524 IonicContact OD2-NE 3.15Å; D512-R524 PolarHBondContact OD2-NE 3.45Å; D512-R524 IonicContact OD2-NH2 3.15Å; D512-R524 PolarHBondContact OD2-NH2 3.38Å
513P96Very high94.4Very high72 Ų7231.1 Ų31.147%0.46818%0.175SC..Hα-helixtrans-65.6-32175.426-35000113.3T509 I510 Q516 S517T509-P513 WeakPolarHBondContact O-CD 3.35Å; I510-P513 WeakPolarHBondContact O-CD 3.43Å; I510-P513 WeakPolarHBondContact O-CG 3.26Å; P513-Q516 PolarHBondContact O-N 2.98Å; P513-S517 WeakPolarHBondContact O-CB 3.4Å; P513-S517 PolarHBondContact O-N 2.86Å
514V96.4Very high94.1Very high25 Ų2535 Ų3515%0.15219%0.19CC..Hα-helixtrans-63.4-50.3176173.70000110.3H416 V420 I510 I511 D512 Q516 S517 L518H416-V514 HydrophobicContact CB-CG1 4.14Å; V420-V514 HydrophobicContact CG2-CG2 4Å; I510-V514 WeakPolarHBondContact O-CG2 3.47Å; I511-V514 HydrophobicContact CD1-CB 4.5Å; I511-V514 PolarHBondContact O-N 3.21Å; D512-V514 VanDerWaalsContact C-N 3.33Å; D512-V514 PolarHBondContact O-N 2.73Å; V514-Q516 VanDerWaalsContact C-N 3.31Å; V514-Q516 PolarHBondContact O-N 3.12Å; V514-S517 PolarHBondContact O-N 3.08Å; V514-S517 VanDerWaalsContact O-N 3.13Å; V514-S517 PolarHBondContact O-OG 3.49Å; V514-L518 HydrophobicContact CG1-CD1 4.28Å; V514-L518 WeakPolarHBondContact O-CG 3.28Å; V514-L518 PolarHBondContact O-N 3.3Å; V514-L518 VanDerWaalsContact O-N 3.08Å
515M95.9Very high93.8Very high0 Ų036 Ų360%019%0.194CC..Hα-helixtrans-66.2-32.8179.1-67.8-64.3-83.100112.6F417 P472 W473 V476 I511 D512 L518 G519 F520F417-M515 HydrophobicContact CZ-SD 3.71Å; P472-M515 HydrophobicContact CB-CE 3.98Å; P472-M515 HydrophobicContact CB-SD 3.83Å; W473-M515 HydrophobicContact CD2-CE 3.47Å; W473-M515 VanDerWaalsContact CD2-CE 3.47Å; W473-M515 HydrophobicContact CE3-CE 4.16Å; W473-M515 HydrophobicContact CG-CE 3.72Å; W473-M515 HydrophobicContact CH2-CE 4.34Å; W473-M515 HydrophobicContact CZ2-CE 3.71Å; V476-M515 HydrophobicContact CG2-CE 4.11Å; V476-M515 HydrophobicContact CG2-CG 4.38Å; V476-M515 HydrophobicContact CG2-SD 4.11Å; I511-M515 HydrophobicContact CD1-CG 3.81Å; I511-M515 HydrophobicContact CD1-SD 4.41Å; I511-M515 HydrophobicContact CG1-CG 3.86Å; I511-M515 WeakPolarHBondContact O-CG 3.01Å; I511-M515 PolarHBondContact O-N 3.41Å; D512-M515 PolarHBondContact O-N 2.87Å; M515-L518 PolarHBondContact O-N 2.87Å; M515-L518 HydrophobicContact SD-CD1 4.09Å; M515-G519 PolarHBondContact O-N 2.92Å; M515-F520 HydrophobicContact CB-CB 4.45Å; M515-F520 HydrophobicContact CE-CD2 3.7Å; M515-F520 HydrophobicContact CE-CE2 3.88Å; M515-F520 HydrophobicContact CE-CG 4.13Å; M515-F520 HydrophobicContact CE-CZ 4.44Å; M515-F520 WeakPolarHBondContact O-CB 3.27Å; M515-F520 PolarHBondContact O-N 2.9Å; M515-F520 HydrophobicContact SD-CD2 4.08Å; M515-F520 HydrophobicContact SD-CE2 4.29Å
516Q94.3Very high93.6Very high98 Ų9833 Ų3346%0.45818%0.178SC..Hα-helixtrans-66.2-41.5171.2-70.3171.535.800112D512 P513 V514 L518 G519D512-Q516 WeakPolarHBondContact O-CB 3.47Å; D512-Q516 VanDerWaalsContact O-CG 3.24Å; D512-Q516 WeakPolarHBondContact O-CG 3.33Å; D512-Q516 PolarHBondContact O-N 2.82Å; D512-Q516 PolarHBondContact OD1-NE2 3.25Å; D512-Q516 PolarHBondContact OD2-NE2 2.84Å; P513-Q516 PolarHBondContact O-N 2.98Å; V514-Q516 VanDerWaalsContact C-N 3.31Å; V514-Q516 PolarHBondContact O-N 3.12Å; Q516-L518 VanDerWaalsContact C-N 3.28Å; Q516-L518 PolarHBondContact O-N 2.78Å; Q516-G519 WeakPolarHBondContact O-CA 3.48Å; Q516-G519 PolarHBondContact O-N 2.78Å
517S93.8Very high93.5Very high73 Ų7334.2 Ų34.251%0.5118%0.179SC..Hα-helixtrans-62.1-35.5176.177.40000112.6P513 V514 G519P513-S517 WeakPolarHBondContact O-CB 3.4Å; P513-S517 PolarHBondContact O-N 2.86Å; V514-S517 PolarHBondContact O-N 3.08Å; V514-S517 VanDerWaalsContact O-N 3.13Å; V514-S517 PolarHBondContact O-OG 3.49Å; S517-G519 PolarHBondContact O-N 3.02Å
518L93.7Very high93.2Very high6 Ų634.6 Ų34.63%0.03118%0.18CC..THydrogen-bonded Turntrans-71.7-7.2173-66169.6000113.1W408 H416 F417 P472 V514 M515 Q516 F520 R618W408-L518 HydrophobicContact CH2-CB 4.05Å; W408-L518 HydrophobicContact CH2-CD2 4.47Å; W408-L518 WeakPolarHBondContact CH2-O 3.28Å; W408-L518 HydrophobicContact CZ3-CB 4.31Å; W408-L518 HydrophobicContact CZ3-CD2 3.88Å; H416-L518 HydrophobicContact CB-CD1 4.48Å; H416-L518 HydrophobicContact CB-CD2 4.46Å; F417-L518 HydrophobicContact CE2-CD1 3.76Å; F417-L518 HydrophobicContact CZ-CD1 4.3Å; P472-L518 HydrophobicContact CB-CD1 4.08Å; P472-L518 HydrophobicContact CG-CD1 4.08Å; V514-L518 HydrophobicContact CG1-CD1 4.28Å; V514-L518 WeakPolarHBondContact O-CG 3.28Å; V514-L518 PolarHBondContact O-N 3.3Å; V514-L518 VanDerWaalsContact O-N 3.08Å; M515-L518 PolarHBondContact O-N 2.87Å; M515-L518 HydrophobicContact SD-CD1 4.09Å; Q516-L518 VanDerWaalsContact C-N 3.28Å; Q516-L518 PolarHBondContact O-N 2.78Å; L518-F520 HydrophobicContact CB-CD2 3.92Å; L518-F520 HydrophobicContact CB-CE2 4.05Å; L518-R618 PolarHBondContact O-NE 3.04Å; L518-R618 PolarHBondContact O-NH2 3.5Å
519G93Very high92.6Very high3 Ų334 Ų343%0.03118%0.178CC..THydrogen-bonded Turntrans9014.7177.300000115.3M515 Q516 S517 R618 W620M515-G519 PolarHBondContact O-N 2.92Å; Q516-G519 WeakPolarHBondContact O-CA 3.48Å; Q516-G519 PolarHBondContact O-N 2.78Å; S517-G519 PolarHBondContact O-N 3.02Å; G519-R618 VanDerWaalsContact C-CD 3.47Å; G519-R618 WeakPolarHBondContact O-CD 3.4Å; G519-W620 WeakPolarHBondContact O-CZ2 3.37Å; G519-W620 PolarHBondContact O-NE1 2.7Å
520F95.2Very high92.1Very high6 Ų629.8 Ų29.83%0.02615%0.152CC..SBendtrans-81.8169.8166.7-60.1-82.7000111.1W408 P472 W473 M515 L518 R618 K619W408-F520 AromaticContact CH2-CE2 3.87Å; W408-F520 HydrophobicContact CH2-CE2 3.87Å; W408-F520 HydrophobicContact CH2-CZ 4.17Å; W408-F520 HydrophobicContact CZ2-CE1 4.39Å; W408-F520 AromaticContact CZ2-CE2 3.57Å; W408-F520 HydrophobicContact CZ2-CE2 3.57Å; W408-F520 AromaticContact CZ2-CZ 3.4Å; W408-F520 HydrophobicContact CZ2-CZ 3.4Å; P472-F520 HydrophobicContact CB-CE2 3.72Å; P472-F520 HydrophobicContact CB-CZ 4.09Å; P472-F520 HydrophobicContact CG-CE2 3.78Å; P472-F520 HydrophobicContact CG-CZ 4.05Å; W473-F520 AromaticContact CD1-CE1 3.52Å; W473-F520 AromaticContact CD1-CZ 3.72Å; W473-F520 AromaticContact NE1-CD1 3.2Å; W473-F520 AromaticContact NE1-CE1 3.21Å; W473-F520 AromaticContact NE1-CG 3.68Å; W473-F520 AromaticContact NE1-CZ 3.71Å; M515-F520 HydrophobicContact CB-CB 4.45Å; M515-F520 HydrophobicContact CE-CD2 3.7Å; M515-F520 HydrophobicContact CE-CE2 3.88Å; M515-F520 HydrophobicContact CE-CG 4.13Å; M515-F520 HydrophobicContact CE-CZ 4.44Å; M515-F520 WeakPolarHBondContact O-CB 3.27Å; M515-F520 PolarHBondContact O-N 2.9Å; M515-F520 HydrophobicContact SD-CD2 4.08Å; M515-F520 HydrophobicContact SD-CE2 4.29Å; L518-F520 HydrophobicContact CB-CD2 3.92Å; L518-F520 HydrophobicContact CB-CE2 4.05Å; F520-R618 HydrophobicContact CD1-CB 3.71Å; F520-R618 HydrophobicContact CD1-CG 4.05Å; F520-R618 HydrophobicContact CE1-CB 3.74Å; F520-R618 HydrophobicContact CE1-CG 3.81Å; F520-R618 HydrophobicContact CZ-CG 4.27Å; F520-K619 WeakPolarHBondContact CD1-O 3.27Å
521C94.3Very high91.3Very high20 Ų2031.4 Ų31.414%0.13516%0.163CC..SBendtrans-67.6-34.4178.856.60000114.8W620 H621 C624C521-W620 HydrophobicContact CB-CB 4.31Å; C521-W620 HydrophobicContact CB-CD2 3.56Å; C521-W620 HydrophobicContact CB-CE3 3.49Å; C521-W620 VanDerWaalsContact CB-CE3 3.49Å; C521-W620 HydrophobicContact CB-CG 3.97Å; C521-W620 HydrophobicContact CB-CH2 4.31Å; C521-W620 HydrophobicContact CB-CZ2 4.4Å; C521-W620 HydrophobicContact CB-CZ3 3.88Å; C521-H621 PolarHBondContact SG-N 2.8Å; C521-H621 PolarHBondContact SG-ND1 3.12Å; C521-C624 HydrophobicContact CB-CB 3.58Å
522C93.8Very high90.6Very high4 Ų432.9 Ų32.93%0.02717%0.172CC..  trans178.4166.3-17350.70000108.4W473 D512 H621W473-C522 VanDerWaalsContact CH2-O 3.31Å; W473-C522 WeakPolarHBondContact CH2-O 3.32Å; W473-C522 VanDerWaalsContact CZ2-O 3.27Å; W473-C522 WeakPolarHBondContact CZ2-O 3.33Å; D512-C522 WeakPolarHBondContact OD1-CA 3.31Å; D512-C522 WeakPolarHBondContact OD1-CB 2.86Å; C522-H621 PolarHBondContact SG-ND1 3.15Å
523G89.6Confident90.1Very high0 Ų034.2 Ų34.20%018%0.179CC..SBendtrans-105.72.217700000115.5I511 D512I511-G523 WeakPolarHBondContact CG2-O 3.03Å; D512-G523 PolarHBondContact OD1-N 2.93Å
524R90.5Very high89.5Confident85 Ų8533.9 Ų33.932%0.32118%0.176SC..SBendtrans-87.8153.4-174.1-48.8-176.3-159.7-135.9-2.4112.3E508 D512 Y526 H621E508-R524 IonicContact OE2-NH1 2.97Å; D512-R524 HydrophobicContact CB-CG 4.11Å; D512-R524 IonicContact OD2-CZ 2.7Å; D512-R524 IonicContact OD2-NE 3.15Å; D512-R524 PolarHBondContact OD2-NE 3.45Å; D512-R524 IonicContact OD2-NH2 3.15Å; D512-R524 PolarHBondContact OD2-NH2 3.38Å; R524-Y526 HydrophobicContact CB-CD2 4.47Å; R524-Y526 HydrophobicContact CB-CE2 3.98Å; R524-H621 PolarHBondContact O-CE1 3.38Å
525E87.1Confident89.2Confident26 Ų2632.7 Ų32.712%0.12117%0.168CC..  trans-93.3111.1173.4-168.2173.5-126.500111.1W480 Y527 K607W480-E525 HydrophobicContact CD2-CB 4.32Å; W480-E525 HydrophobicContact CZ2-CB 3.99Å; E525-Y527 HydrophobicContact CB-CE2 4.24Å; E525-Y527 HydrophobicContact CG-CD2 4.31Å; E525-Y527 HydrophobicContact CG-CE2 3.56Å; E525-Y527 WeakPolarHBondContact OE2-CE2 3.07Å; E525-Y527 VanDerWaalsContact OE2-CZ 3.23Å; E525-Y527 PolarHBondContact OE2-OH 3.3Å; E525-K607 WeakPolarHBondContact OE1-CE 3.42Å; E525-K607 IonicContact OE1-NZ 3.1Å; E525-K607 PolarHBondContact OE1-NZ 2.94Å
526Y91.2Very high88.9Confident53 Ų5334.6 Ų34.621%0.20818%0.178CC..  trans-94.6134.7-178.7-73.1-81.6000112.9R524 E608 H621R524-Y526 HydrophobicContact CB-CD2 4.47Å; R524-Y526 HydrophobicContact CB-CE2 3.98Å; Y526-E608 VanDerWaalsContact CB-CD 3.47Å; Y526-E608 PolarHBondContact O-N 3.05Å; Y526-H621 AromaticContact CD2-CE1 3.83Å; Y526-H621 AromaticContact CD2-ND1 3.96Å; Y526-H621 AromaticContact CD2-NE2 3.94Å
527Y90.7Very high88.6Confident62 Ų6230.3 Ų30.324%0.24316%0.159CC..BIsolated β-bridgetrans-123.9134.7178-70.6-93000111.7E525 K605 E606 K607 R1024E525-Y527 HydrophobicContact CB-CE2 4.24Å; E525-Y527 HydrophobicContact CG-CD2 4.31Å; E525-Y527 HydrophobicContact CG-CE2 3.56Å; E525-Y527 WeakPolarHBondContact OE2-CE2 3.07Å; E525-Y527 VanDerWaalsContact OE2-CZ 3.23Å; E525-Y527 PolarHBondContact OE2-OH 3.3Å; Y527-K605 HydrophobicContact CD1-CB 3.57Å; Y527-K605 HydrophobicContact CD1-CD 4.15Å; Y527-K605 HydrophobicContact CE1-CB 4.33Å; Y527-K605 HydrophobicContact CG-CB 4.17Å; Y527-K605 HydrophobicContact CG-CD 4.11Å; Y527-E606 CarbonylContact C-O 3.6Å; Y527-E606 VanDerWaalsContact CA-O 3.28Å; Y527-E606 WeakPolarHBondContact CA-O 3.09Å; Y527-K607 HydrophobicContact CD1-CG 3.98Å; Y527-K607 HydrophobicContact CE1-CD 4.39Å; Y527-K607 HydrophobicContact CE1-CG 3.53Å; Y527-K607 WeakPolarHBondContact OH-CE 3.25Å; Y527-R1024 PolarHBondContact O-NH1 3.47Å; Y527-R1024 VanDerWaalsContact O-NH1 3.12Å; Y527-R1024 PolarHBondContact O-NH2 3.27Å
528Y89.9Confident88Confident10 Ų1030.2 Ų30.24%0.03916%0.157CC..PPolyproline II helixtrans-64.4149.3166-67.8-66.5000110.7E606 E608 H1016 E1018Y528-E606 PolarHBondContact N-O 2.96Å; Y528-E608 HydrophobicContact CD2-CG 4.33Å; Y528-E608 HydrophobicContact CE1-CG 4.21Å; Y528-E608 HydrophobicContact CE2-CB 4.47Å; Y528-E608 HydrophobicContact CE2-CG 3.94Å; Y528-H1016 HydrophobicContact CD1-CB 3.72Å; Y528-H1016 HydrophobicContact CD2-CB 4.14Å; Y528-H1016 HydrophobicContact CE1-CB 3.61Å; Y528-H1016 VanDerWaalsContact CE1-O 3.25Å; Y528-H1016 WeakPolarHBondContact CE1-O 3.46Å; Y528-H1016 HydrophobicContact CE2-CB 4.04Å; Y528-H1016 HydrophobicContact CG-CB 3.98Å; Y528-E1018 WeakPolarHBondContact CA-OE1 3.37Å
529Q81.6Confident87.2Confident48 Ų4835.8 Ų35.822%0.22418%0.181CC..PPolyproline II helixtrans-76.7141.2176.4-62.5-156.867.700110.8M815 E1018Q529-M815 HydrophobicContact CB-CG 4.45Å; Q529-M815 HydrophobicContact CG-CG 4.47Å; Q529-M815 VanDerWaalsContact NE2-CG 3.29Å; Q529-M815 PolarHBondContact NE2-SD 2.71Å; Q529-E1018 PolarHBondContact N-OE1 2.78Å
530P82.2Confident86.4Confident6 Ų641.4 Ų41.44%0.03921%0.205CC..PPolyproline II helixtrans-55.5124.4173.8-20.127.3000110.3R545 N602 I604 K605P530-R545 HydrophobicContact CB-CG 4.3Å; P530-R545 HydrophobicContact CG-CG 4.14Å; P530-N602 WeakPolarHBondContact CB-O 3.22Å; P530-I604 WeakPolarHBondContact CG-O 2.89Å; P530-K605 HydrophobicContact CG-CG 4.39Å
531P78.2Confident85.9Confident51 Ų5141.9 Ų41.933%0.33121%0.209SC..PPolyproline II helixtrans-69.5149.5-176.327.6-34.3000111.6L533 N602P531-L533 HydrophobicContact CG-CD2 4.19Å; P531-L533 PolarHBondContact O-N 3.3Å; P531-N602 PolarHBondContact O-ND2 2.97Å
532T80.6Confident85.4Confident31 Ų3144.3 Ų44.319%0.1922%0.223CC..PPolyproline II helixtrans-67.3119.6170.1-54.80000109.4T542T532-T542 HydrophobicContact CG2-CG2 3.22Å
533L84.1Confident85.1Confident40 Ų4044.3 Ų44.321%0.20922%0.222CC..EExtended strand (participates in β ladder)trans-95.1157.1-176.4-49.7174.6000111.1P531 I543 Y549P531-L533 HydrophobicContact CG-CD2 4.19Å; P531-L533 PolarHBondContact O-N 3.3Å; L533-I543 HydrophobicContact CB-CB 4Å; L533-I543 HydrophobicContact CB-CD1 4.26Å; L533-I543 HydrophobicContact CB-CG2 4.33Å; L533-I543 PolarHBondContact N-O 3.33Å; L533-I543 WeakPolarHBondContact O-CB 3.5Å; L533-I543 PolarHBondContact O-N 3.49Å; L533-Y549 HydrophobicContact CD1-CD2 4.39Å; L533-Y549 HydrophobicContact CD1-CE1 4.07Å; L533-Y549 HydrophobicContact CD1-CE2 3.84Å
534T84Confident84.8Confident64 Ų6449 Ų4939%0.39324%0.241SC..EExtended strand (participates in β ladder)trans-102.6128.7177.9-51.50000110.8L536 T567T534-L536 PolarHBondContact O-N 3.14Å; T534-T567 PolarHBondContact O-OG1 3.29Å
535C90.3Very high84.4Confident0 Ų050.2 Ų50.20%025%0.245CC..  trans-73.8104.7172.9179.80000110.3T537 C541 I543 T567 C569C535-T537 PolarHBondContact O-N 2.98Å; C535-T537 PolarHBondContact SG-OG1 3.28Å; C535-C541 HydrophobicContact CB-CB 3.85Å; C535-C541 WeakPolarHBondContact CB-O 3.24Å; C535-C541 PolarHBondContact N-O 2.96Å; C535-I543 HydrophobicContact CB-CD1 4.1Å; C535-I543 HydrophobicContact CB-CG1 4.25Å; C535-T567 CarbonylContact C-O 3.57Å; C535-T567 WeakPolarHBondContact CA-O 3.26Å; C535-C569 HydrophobicContact CB-CB 4.14Å; C535-C569 PolarHBondContact SG-N 3.14Å
536L89.1Confident84.2Confident40 Ų4052.1 Ų52.121%0.20926%0.256CS..  trans-76.353.2-177.6-61175.3000112.6T534 E563 Y566 T567 L582 D583T534-L536 PolarHBondContact O-N 3.14Å; L536-E563 VanDerWaalsContact CD1-OE2 3.27Å; L536-E563 WeakPolarHBondContact CD1-OE2 3.4Å; L536-Y566 HydrophobicContact CB-CD1 4.14Å; L536-Y566 HydrophobicContact CD1-CD1 3.67Å; L536-Y566 HydrophobicContact CD1-CE1 4.23Å; L536-Y566 HydrophobicContact CD1-CG 4.39Å; L536-T567 PolarHBondContact N-O 3.31Å; L536-L582 WeakPolarHBondContact O-CA 3.35Å; L536-D583 PolarHBondContact O-N 3.42Å
537T88.1Confident84.2Confident8 Ų851.2 Ų51.25%0.04926%0.26CS..SBendtrans-118.6159.2166.960.10000107.4C535 K539 F540 V568 C572 I580C535-T537 PolarHBondContact O-N 2.98Å; C535-T537 PolarHBondContact SG-OG1 3.28Å; T537-K539 PolarHBondContact O-N 2.95Å; T537-F540 PolarHBondContact O-N 3.45Å; T537-V568 HydrophobicContact CG2-CG1 3.89Å; T537-V568 HydrophobicContact CG2-CG2 3.92Å; T537-C572 HydrophobicContact CG2-CB 4.19Å; T537-I580 HydrophobicContact CG2-CG2 3.98Å
538P79.9Confident84.4Confident71 Ų7150.1 Ų50.146%0.46126%0.26SS..THydrogen-bonded Turntrans-56.4-2.4176.9-28.436.1000117.1A581 P589P538-A581 WeakPolarHBondContact CD-O 3.35Å; P538-P589 HydrophobicContact CG-CB 4.35Å
539K78.1Confident84.6Confident124 Ų12450 Ų5054%0.53926%0.259SS..THydrogen-bonded Turntrans-92.9-3.8171.6-57.1-169.6-177.7-1730114.6T537 C541 E575T537-K539 PolarHBondContact O-N 2.95Å; K539-C541 PolarHBondContact O-N 3.46Å; K539-C541 PolarHBondContact O-SG 2.93Å; K539-E575 IonicContact NZ-OE2 3.34Å; K539-E575 PolarHBondContact NZ-OE2 2.84Å
540F76.3Confident85.3Confident121 Ų12148.6 Ų48.653%0.53125%0.252SS..  trans4140.2176.2-60.7-79.7000116T537 D583T537-F540 PolarHBondContact O-N 3.45Å; F540-D583 WeakPolarHBondContact CE1-OD2 3.33Å; F540-D583 WeakPolarHBondContact CZ-OD2 3.39Å
541C85Confident85.9Confident16 Ų1648.3 Ų48.311%0.10825%0.25CS..  trans-73.9144.3-171.2-63.10000113.3C535 K539 R571C535-C541 HydrophobicContact CB-CB 3.85Å; C535-C541 WeakPolarHBondContact CB-O 3.24Å; C535-C541 PolarHBondContact N-O 2.96Å; K539-C541 PolarHBondContact O-N 3.46Å; K539-C541 PolarHBondContact O-SG 2.93Å; C541-R571 PolarHBondContact SG-NH2 2.71Å
542T83.4Confident86.5Confident71 Ų7146.5 Ų46.544%0.43624%0.237SC..EExtended strand (participates in β ladder)trans-72133.6175.1-44.40000111.9T532 Y544T532-T542 HydrophobicContact CG2-CG2 3.22Å; T542-Y544 HydrophobicContact CG2-CD1 4.14Å; T542-Y544 HydrophobicContact CG2-CD2 4.49Å; T542-Y544 HydrophobicContact CG2-CE1 3.77Å; T542-Y544 HydrophobicContact CG2-CE2 4.14Å; T542-Y544 HydrophobicContact CG2-CG 4.49Å
543I87.1Confident86.9Confident3 Ų350.6 Ų50.62%0.01525%0.252CS..EExtended strand (participates in β ladder)trans-108.998.8171.1-60.9161.6000107.8L533 C535 Y549 T567 C569L533-I543 HydrophobicContact CB-CB 4Å; L533-I543 HydrophobicContact CB-CD1 4.26Å; L533-I543 HydrophobicContact CB-CG2 4.33Å; L533-I543 PolarHBondContact N-O 3.33Å; L533-I543 WeakPolarHBondContact O-CB 3.5Å; L533-I543 PolarHBondContact O-N 3.49Å; C535-I543 HydrophobicContact CB-CD1 4.1Å; C535-I543 HydrophobicContact CB-CG1 4.25Å; I543-Y549 HydrophobicContact CG2-CD1 4.35Å; I543-Y549 HydrophobicContact CG2-CG 4.19Å; I543-T567 WeakPolarHBondContact CD1-OG1 3.46Å; I543-C569 HydrophobicContact CD1-CB 4.25Å; I543-C569 HydrophobicContact CG1-CB 3.57Å
544Y83.9Confident86.7Confident100 Ų10049.4 Ų49.439%0.39225%0.247SC..  trans-66.8164179.6-62.2-77.4000112.8T542 A547 N602 E807T542-Y544 HydrophobicContact CG2-CD1 4.14Å; T542-Y544 HydrophobicContact CG2-CD2 4.49Å; T542-Y544 HydrophobicContact CG2-CE1 3.77Å; T542-Y544 HydrophobicContact CG2-CE2 4.14Å; T542-Y544 HydrophobicContact CG2-CG 4.49Å; Y544-A547 VanDerWaalsContact O-CB 3.26Å; Y544-A547 WeakPolarHBondContact O-CB 3.42Å; Y544-A547 PolarHBondContact O-N 2.72Å; Y544-N602 WeakPolarHBondContact O-CB 3.47Å; Y544-N602 PolarHBondContact O-ND2 2.93Å; Y544-E807 WeakPolarHBondContact CE1-O 3.05Å
545R80.9Confident86.3Confident110 Ų11052.3 Ų52.342%0.41526%0.26SS..THydrogen-bonded Turntrans-54.1148.6167.2171.7-179.2163.8177.4-5.6111.1P530 A547P530-R545 HydrophobicContact CB-CG 4.3Å; P530-R545 HydrophobicContact CG-CG 4.14Å; R545-A547 PolarHBondContact O-N 2.82Å
546D84.3Confident85.2Confident65 Ų6555.4 Ų55.435%0.34829%0.292SS..THydrogen-bonded Turntrans61.1-6.1-178.7-82.9-85.1000115.1K601 N602D546-K601 WeakPolarHBondContact O-CE 3.34Å; D546-K601 WeakPolarHBondContact O-CG 3.35Å; D546-K601 PolarHBondContact O-NZ 3.38Å; D546-K601 IonicContact OD1-NZ 3.69Å; D546-K601 PolarHBondContact OD1-NZ 2.84Å; D546-N602 PolarHBondContact N-O 3.23Å
547A90.6Very high83.9Confident35 Ų3559.6 Ų59.629%0.28931%0.311SS..  trans-70.415417600000112.6Y544 R545 K601 N602Y544-A547 VanDerWaalsContact O-CB 3.26Å; Y544-A547 WeakPolarHBondContact O-CB 3.42Å; Y544-A547 PolarHBondContact O-N 2.72Å; R545-A547 PolarHBondContact O-N 2.82Å; A547-K601 WeakPolarHBondContact O-CA 3.36Å; A547-N602 PolarHBondContact O-N 2.68Å
548V94.3Very high82.8Confident39 Ų3960.7 Ų60.724%0.23632%0.317CS..EExtended strand (participates in β ladder)trans-80.9138.1170.8175.90000110Y550 E570 K599V548-Y550 HydrophobicContact CG1-CE2 4.35Å; V548-E570 HydrophobicContact CB-CB 4.32Å; V548-E570 HydrophobicContact CG1-CB 4.28Å; V548-E570 HydrophobicContact CG1-CG 4.45Å; V548-E570 VanDerWaalsContact CG1-OE1 3.32Å; V548-E570 WeakPolarHBondContact CG1-OE1 3.49Å; V548-E570 PolarHBondContact O-N 2.72Å; V548-K599 HydrophobicContact CG1-CD 4.37Å; V548-K599 VanDerWaalsContact CG1-CE 3.5Å; V548-K599 HydrophobicContact CG1-CG 3.99Å
549Y95Very high82.1Confident7 Ų762.9 Ų62.93%0.02733%0.331CS..EExtended strand (participates in β ladder)trans-144.8169.6175.475.4-79000110.7L533 I543 V551 T567 V568 C600 N602L533-Y549 HydrophobicContact CD1-CD2 4.39Å; L533-Y549 HydrophobicContact CD1-CE1 4.07Å; L533-Y549 HydrophobicContact CD1-CE2 3.84Å; I543-Y549 HydrophobicContact CG2-CD1 4.35Å; I543-Y549 HydrophobicContact CG2-CG 4.19Å; Y549-V551 HydrophobicContact CD2-CG2 3.83Å; Y549-V551 HydrophobicContact CE2-CG2 3.26Å; Y549-T567 HydrophobicContact CD2-CG2 4.32Å; Y549-T567 HydrophobicContact CE2-CG2 3.95Å; Y549-V568 CarbonylContact C-O 3.56Å; Y549-V568 WeakPolarHBondContact CA-O 3.35Å; Y549-V568 WeakPolarHBondContact CB-O 3.39Å; Y549-C600 HydrophobicContact CD1-CB 3.95Å; Y549-C600 HydrophobicContact CD2-CB 4.38Å; Y549-C600 HydrophobicContact CE1-CB 3.55Å; Y549-C600 HydrophobicContact CE2-CB 4.07Å; Y549-C600 HydrophobicContact CG-CB 4.35Å; Y549-C600 PolarHBondContact N-O 2.7Å; Y549-C600 CarbonylContact O-C 3.58Å; Y549-C600 PolarHBondContact O-N 3.28Å; Y549-N602 HydrophobicContact CD1-CB 4.2Å; Y549-N602 HydrophobicContact CE1-CB 4.09Å
550Y96Very high81.5Confident18 Ų1858.3 Ų58.37%0.07132%0.32CS..EExtended strand (participates in β ladder)trans-121.4138.4-179.1-65-93.1000109.8V548 T567 V568 E570 Y573 E598 K599V548-Y550 HydrophobicContact CG1-CE2 4.35Å; Y550-T567 CarbonylContact O-C 3.51Å; Y550-T567 WeakPolarHBondContact O-CA 3.45Å; Y550-V568 PolarHBondContact N-O 3.31Å; Y550-V568 PolarHBondContact O-N 3.47Å; Y550-E570 HydrophobicContact CE2-CB 4.08Å; Y550-E570 HydrophobicContact CE2-CG 4.06Å; Y550-E570 PolarHBondContact OH-OE1 2.89Å; Y550-Y573 HydrophobicContact CD1-CD1 4.35Å; Y550-Y573 AromaticContact CD1-CD2 3.74Å; Y550-Y573 HydrophobicContact CD1-CD2 3.74Å; Y550-Y573 HydrophobicContact CD1-CE1 4.21Å; Y550-Y573 AromaticContact CD1-CE2 3.59Å; Y550-Y573 HydrophobicContact CD1-CE2 3.59Å; Y550-Y573 HydrophobicContact CD1-CG 4.12Å; Y550-Y573 AromaticContact CD1-CZ 3.83Å; Y550-Y573 VanDerWaalsContact CD2-CB 3.47Å; Y550-Y573 AromaticContact CD2-CD1 3.97Å; Y550-Y573 HydrophobicContact CD2-CD1 3.97Å; Y550-Y573 AromaticContact CD2-CD2 3.61Å; Y550-Y573 HydrophobicContact CD2-CD2 3.61Å; Y550-Y573 HydrophobicContact CD2-CE2 4.32Å; Y550-Y573 AromaticContact CD2-CG 3.41Å; Y550-Y573 HydrophobicContact CD2-CG 3.41Å; Y550-Y573 VanDerWaalsContact CD2-CG 3.41Å; Y550-Y573 HydrophobicContact CE1-CD1 4.01Å; Y550-Y573 HydrophobicContact CE1-CD2 4.23Å; Y550-Y573 AromaticContact CE1-CE1 3.77Å; Y550-Y573 HydrophobicContact CE1-CE1 3.77Å; Y550-Y573 HydrophobicContact CE1-CE2 4.01Å; Y550-Y573 HydrophobicContact CE1-CG 4.23Å; Y550-Y573 AromaticContact CE1-CZ 3.76Å; Y550-Y573 AromaticContact CE2-CD1 3.61Å; Y550-Y573 HydrophobicContact CE2-CD1 3.61Å; Y550-Y573 HydrophobicContact CE2-CD2 4.12Å; Y550-Y573 HydrophobicContact CE2-CE1 4.23Å; Y550-Y573 AromaticContact CE2-CG 3.55Å; Y550-Y573 HydrophobicContact CE2-CG 3.55Å; Y550-Y573 HydrophobicContact CG-CD1 4.32Å; Y550-Y573 AromaticContact CG-CD2 3.39Å; Y550-Y573 HydrophobicContact CG-CD2 3.39Å; Y550-Y573 AromaticContact CG-CE2 3.76Å; Y550-Y573 HydrophobicContact CG-CE2 3.76Å; Y550-Y573 AromaticContact CG-CG 3.71Å; Y550-Y573 HydrophobicContact CG-CG 3.71Å; Y550-Y573 AromaticContact CZ-CD1 3.62Å; Y550-Y573 AromaticContact CZ-CE1 3.78Å; Y550-Y573 AromaticContact CZ-CG 3.95Å; Y550-E598 CarbonylContact C-O 3.58Å; Y550-E598 VanDerWaalsContact CA-O 3.3Å; Y550-E598 WeakPolarHBondContact CA-O 3.39Å; Y550-K599 HydrophobicContact CD1-CB 4.01Å; Y550-K599 HydrophobicContact CD1-CG 4.25Å; Y550-K599 HydrophobicContact CE1-CB 3.7Å; Y550-K599 HydrophobicContact CE1-CD 4.2Å; Y550-K599 HydrophobicContact CE1-CG 3.67Å; Y550-K599 PolarHBondContact OH-NZ 3.48Å
551V93.7Very high81Confident1 Ų153.2 Ų53.21%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-115.4124.2-176.6171.90000109.8Y549 K553 K565 Y566 M597 E598 C600Y549-V551 HydrophobicContact CD2-CG2 3.83Å; Y549-V551 HydrophobicContact CE2-CG2 3.26Å; V551-K553 HydrophobicContact CG1-CG 4.1Å; V551-K565 HydrophobicContact CG1-CD 4.26Å; V551-K565 HydrophobicContact CG1-CG 3.57Å; V551-Y566 CarbonylContact C-O 3.53Å; V551-Y566 WeakPolarHBondContact CA-O 3.13Å; V551-M597 CarbonylContact O-C 3.27Å; V551-M597 VanDerWaalsContact O-CA 3.28Å; V551-M597 WeakPolarHBondContact O-CA 3.25Å; V551-E598 HydrophobicContact CB-CB 4.45Å; V551-E598 PolarHBondContact N-O 2.83Å; V551-E598 PolarHBondContact O-N 3.22Å; V551-C600 HydrophobicContact CG2-CB 4.19Å; V551-C600 VanDerWaalsContact CG2-SG 3.55Å
552Y92.5Very high80Confident13 Ų1358.4 Ų58.45%0.05132%0.324CS..EExtended strand (participates in β ladder)trans-98.4117.7161.8176-114.8000109T558 L561 K565 Y566 L582 V592 L596Y552-T558 PolarHBondContact OH-OG1 2.96Å; Y552-L561 HydrophobicContact CD1-CD1 4.02Å; Y552-L561 HydrophobicContact CE1-CD1 3.57Å; Y552-K565 WeakPolarHBondContact O-CA 3.39Å; Y552-Y566 HydrophobicContact CD1-CD2 4.28Å; Y552-Y566 PolarHBondContact N-O 3.13Å; Y552-Y566 PolarHBondContact O-N 3.39Å; Y552-L582 HydrophobicContact CD1-CD1 3.9Å; Y552-L582 HydrophobicContact CG-CD1 4.39Å; Y552-V592 HydrophobicContact CD1-CG1 4.16Å; Y552-V592 HydrophobicContact CD1-CG2 4.13Å; Y552-V592 HydrophobicContact CD2-CG1 3.56Å; Y552-V592 HydrophobicContact CE1-CG1 4.3Å; Y552-V592 HydrophobicContact CE1-CG2 4.03Å; Y552-V592 HydrophobicContact CE2-CG1 3.73Å; Y552-V592 HydrophobicContact CG-CG1 3.79Å; Y552-L596 HydrophobicContact CD2-CB 4.1Å; Y552-L596 HydrophobicContact CE2-CB 4.04Å; Y552-L596 HydrophobicContact CE2-CD1 4.4Å
553K88.2Confident79Confident116 Ų11659.9 Ų59.950%0.50433%0.326SS..EExtended strand (participates in β ladder)trans-84.9125.6168-71.8162.8178.9163.50107.4V551 Q564 E598V551-K553 HydrophobicContact CG1-CG 4.1Å; K553-Q564 CarbonylContact C-O 3.56Å; K553-Q564 WeakPolarHBondContact CA-O 3.35Å; K553-E598 VanDerWaalsContact CE-OE2 3.27Å; K553-E598 WeakPolarHBondContact CE-OE2 3.34Å; K553-E598 IonicContact NZ-OE1 2.72Å; K553-E598 IonicContact NZ-OE2 2.75Å; K553-E598 PolarHBondContact NZ-OE2 2.81Å
554S80Confident78.3Confident15 Ų1567.7 Ų67.711%0.10536%0.362CS..PPolyproline II helixtrans-95.5120.4-178.4-176.80000110.1G556 E563 Q564S554-G556 PolarHBondContact O-N 3.26Å; S554-E563 WeakPolarHBondContact CB-O 3.33Å; S554-Q564 PolarHBondContact N-O 3.44Å
555D75.2Confident78.3Confident125 Ų12567.5 Ų67.567%0.66836%0.364SS*.  trans-68.78-178.8-50.1-32.6000113.9Q557D555-Q557 PolarHBondContact O-N 3.39Å; D555-Q557 VanDerWaalsContact O-N 3.11Å
556G67.3Low78.7Confident65 Ų6562.8 Ų62.867%0.6735%0.346SS*.SBendtrans67.52.1-170.300000114.5S554S554-G556 PolarHBondContact O-N 3.26Å
557Q62.5Low79Confident129 Ų12960.4 Ų60.460%0.60333%0.334SS*.  trans-100.5-17.6-179.5-63.9-170.267.200113.3L19 D555 P559L19-Q557 HydrophobicContact CD2-CG 4.05Å; D555-Q557 PolarHBondContact O-N 3.39Å; D555-Q557 VanDerWaalsContact O-N 3.11Å; Q557-P559 VanDerWaalsContact O-CD 3.26Å; Q557-P559 WeakPolarHBondContact O-CD 3.35Å
558T65Low79.2Confident31 Ų3158.8 Ų58.819%0.1932%0.32CS..SBendtrans-75.3110.6-175.7-39.50000110.8Y552 G560 L561 V590Y552-T558 PolarHBondContact OH-OG1 2.96Å; T558-G560 PolarHBondContact O-N 2.89Å; T558-L561 HydrophobicContact CG2-CD1 3.87Å; T558-L561 PolarHBondContact O-N 3.05Å; T558-V590 HydrophobicContact CG2-CG1 4.42Å
559P64.3Low79.2Confident116 Ų11657.5 Ų57.575%0.75331%0.313SS*.THydrogen-bonded Turntrans-66.9124.4-170.3-21.834.6000112.6Q557Q557-P559 VanDerWaalsContact O-CD 3.26Å; Q557-P559 WeakPolarHBondContact O-CD 3.35Å
560G65.1Low79.3Confident29 Ų2960.3 Ų60.330%0.29933%0.326SS..THydrogen-bonded Turntrans101.1-13.3178.600000114.6T558 S584T558-G560 PolarHBondContact O-N 2.89Å; G560-S584 PolarHBondContact O-OG 2.92Å
561L67.2Low79.1Confident14 Ų1466.3 Ų66.37%0.07335%0.349CS..  trans-95.1127.6173.3-63.4176.8000109.6Y552 T558 Y566 L582 V590 V592Y552-L561 HydrophobicContact CD1-CD1 4.02Å; Y552-L561 HydrophobicContact CE1-CD1 3.57Å; T558-L561 HydrophobicContact CG2-CD1 3.87Å; T558-L561 PolarHBondContact O-N 3.05Å; L561-Y566 HydrophobicContact CB-CE2 3.7Å; L561-Y566 HydrophobicContact CD1-CD2 4.44Å; L561-Y566 HydrophobicContact CD1-CE2 4.3Å; L561-Y566 HydrophobicContact CD2-CD1 4.3Å; L561-Y566 HydrophobicContact CD2-CD2 4.35Å; L561-Y566 HydrophobicContact CD2-CE1 3.77Å; L561-Y566 HydrophobicContact CD2-CE2 3.82Å; L561-Y566 HydrophobicContact CG-CE2 4.13Å; L561-L582 HydrophobicContact CD1-CD1 4.19Å; L561-L582 HydrophobicContact CD2-CB 4.27Å; L561-L582 HydrophobicContact CD2-CD1 4.49Å; L561-V590 HydrophobicContact CD1-CB 4.42Å; L561-V590 HydrophobicContact CD1-CG1 4.08Å; L561-V590 HydrophobicContact CD2-CB 3.91Å; L561-V590 HydrophobicContact CD2-CG1 4.43Å; L561-V590 HydrophobicContact CD2-CG2 4.06Å; L561-V590 HydrophobicContact CG-CB 4.02Å; L561-V590 HydrophobicContact CG-CG1 4.02Å; L561-V590 HydrophobicContact CG-CG2 4.14Å; L561-V592 HydrophobicContact CD1-CG2 3.93Å
562L62.7Low79.2Confident124 Ų12466.7 Ų66.765%0.64935%0.351SS*.  trans-108.8-29.6-172.6-76.7163.1000112.9Y566 D585L562-Y566 PolarHBondContact N-OH 3.29Å; L562-D585 HydrophobicContact CD1-CB 3.92Å; L562-D585 WeakPolarHBondContact CD1-OD2 3.47Å
563E62.9Low79.3Confident102 Ų10267.9 Ų67.948%0.47736%0.356SS..SBendtrans-81.5160.4175.7-54.4-175.8142.400111.5L536 S554 Y566L536-E563 VanDerWaalsContact CD1-OE2 3.27Å; L536-E563 WeakPolarHBondContact CD1-OE2 3.4Å; S554-E563 WeakPolarHBondContact CB-O 3.33Å; E563-Y566 HydrophobicContact CB-CD2 4.46Å; E563-Y566 HydrophobicContact CB-CE1 4.46Å; E563-Y566 HydrophobicContact CB-CE2 3.74Å; E563-Y566 HydrophobicContact CG-CE1 4.49Å; E563-Y566 PolarHBondContact N-OH 2.95Å; E563-Y566 WeakPolarHBondContact O-CE2 3.38Å
564Q72.4Confident79.6Confident167 Ų16767.2 Ų67.278%0.7836%0.358SS*.SBendtrans-82.8-20.7174.2-65.4-177.92.200113.3K553 S554K553-Q564 CarbonylContact C-O 3.56Å; K553-Q564 WeakPolarHBondContact CA-O 3.35Å; S554-Q564 PolarHBondContact N-O 3.44Å
565K84.8Confident80.2Confident97 Ų9771.4 Ų71.442%0.42238%0.376SS..EExtended strand (participates in β ladder)trans-146.3101-168.3-172.2-164.4175.1-171.90112.3V551 Y552V551-K565 HydrophobicContact CG1-CD 4.26Å; V551-K565 HydrophobicContact CG1-CG 3.57Å; Y552-K565 WeakPolarHBondContact O-CA 3.39Å
566Y88.6Confident80.8Confident11 Ų1166.7 Ų66.74%0.04335%0.354CS..EExtended strand (participates in β ladder)trans-90.9139.2175.6-70.7-93.1000111.4L536 V551 Y552 L561 L562 E563 L582L536-Y566 HydrophobicContact CB-CD1 4.14Å; L536-Y566 HydrophobicContact CD1-CD1 3.67Å; L536-Y566 HydrophobicContact CD1-CE1 4.23Å; L536-Y566 HydrophobicContact CD1-CG 4.39Å; V551-Y566 CarbonylContact C-O 3.53Å; V551-Y566 WeakPolarHBondContact CA-O 3.13Å; Y552-Y566 HydrophobicContact CD1-CD2 4.28Å; Y552-Y566 PolarHBondContact N-O 3.13Å; Y552-Y566 PolarHBondContact O-N 3.39Å; L561-Y566 HydrophobicContact CB-CE2 3.7Å; L561-Y566 HydrophobicContact CD1-CD2 4.44Å; L561-Y566 HydrophobicContact CD1-CE2 4.3Å; L561-Y566 HydrophobicContact CD2-CD1 4.3Å; L561-Y566 HydrophobicContact CD2-CD2 4.35Å; L561-Y566 HydrophobicContact CD2-CE1 3.77Å; L561-Y566 HydrophobicContact CD2-CE2 3.82Å; L561-Y566 HydrophobicContact CG-CE2 4.13Å; L562-Y566 PolarHBondContact N-OH 3.29Å; E563-Y566 HydrophobicContact CB-CD2 4.46Å; E563-Y566 HydrophobicContact CB-CE1 4.46Å; E563-Y566 HydrophobicContact CB-CE2 3.74Å; E563-Y566 HydrophobicContact CG-CE1 4.49Å; E563-Y566 PolarHBondContact N-OH 2.95Å; E563-Y566 WeakPolarHBondContact O-CE2 3.38Å; Y566-L582 HydrophobicContact CD1-CD1 4.29Å; Y566-L582 HydrophobicContact CD2-CD1 4.49Å; Y566-L582 HydrophobicContact CG-CD1 3.92Å
567T91.5Very high81.8Confident15 Ų1570.7 Ų70.79%0.09236%0.36CS..EExtended strand (participates in β ladder)trans-120.4140-179.287.20000112.8T534 C535 L536 I543 Y549 Y550T534-T567 PolarHBondContact O-OG1 3.29Å; C535-T567 CarbonylContact C-O 3.57Å; C535-T567 WeakPolarHBondContact CA-O 3.26Å; L536-T567 PolarHBondContact N-O 3.31Å; I543-T567 WeakPolarHBondContact CD1-OG1 3.46Å; Y549-T567 HydrophobicContact CD2-CG2 4.32Å; Y549-T567 HydrophobicContact CE2-CG2 3.95Å; Y550-T567 CarbonylContact O-C 3.51Å; Y550-T567 WeakPolarHBondContact O-CA 3.45Å
568V94.3Very high83.2Confident0 Ų070.7 Ų70.70%036%0.364CS..EExtended strand (participates in β ladder)trans-136133.1-176.4178.70000110.1T537 Y549 Y550 C572 I580 L582 M597T537-V568 HydrophobicContact CG2-CG1 3.89Å; T537-V568 HydrophobicContact CG2-CG2 3.92Å; Y549-V568 CarbonylContact C-O 3.56Å; Y549-V568 WeakPolarHBondContact CA-O 3.35Å; Y549-V568 WeakPolarHBondContact CB-O 3.39Å; Y550-V568 PolarHBondContact N-O 3.31Å; Y550-V568 PolarHBondContact O-N 3.47Å; V568-C572 HydrophobicContact CG1-CB 3.79Å; V568-I580 HydrophobicContact CG1-CG2 4.45Å; V568-I580 HydrophobicContact CG2-CG2 4.23Å; V568-L582 HydrophobicContact CG2-CD2 3.43Å; V568-L582 VanDerWaalsContact CG2-CD2 3.43Å; V568-M597 HydrophobicContact CB-CE 4.01Å; V568-M597 HydrophobicContact CG2-CE 3.68Å; V568-M597 HydrophobicContact CG2-SD 4.5Å
569C94.7Very high84.4Confident13 Ų1373.9 Ų73.99%0.08838%0.377CS..EExtended strand (participates in β ladder)trans-72.1154.1179.7770000112.1C535 I543 R571 C572 Y573C535-C569 HydrophobicContact CB-CB 4.14Å; C535-C569 PolarHBondContact SG-N 3.14Å; I543-C569 HydrophobicContact CD1-CB 4.25Å; I543-C569 HydrophobicContact CG1-CB 3.57Å; C569-R571 PolarHBondContact O-N 3.03Å; C569-R571 VanDerWaalsContact O-N 3.13Å; C569-C572 PolarHBondContact O-N 3.34Å; C569-C572 VanDerWaalsContact O-N 3.14Å; C569-C572 PolarHBondContact SG-N 3.28Å; C569-C572 VanDerWaalsContact SG-N 3.39Å; C569-C572 VanDerWaalsContact SG-SG 3.62Å; C569-Y573 PolarHBondContact O-N 3.45Å
570E95.3Very high85.6Confident65 Ų6568.6 Ų68.630%0.30434%0.342SS..Hα-helixtrans-58.2-29.2-178.9-177.6159.6-114.100113.5V548 Y550 N574 K599V548-E570 HydrophobicContact CB-CB 4.32Å; V548-E570 HydrophobicContact CG1-CB 4.28Å; V548-E570 HydrophobicContact CG1-CG 4.45Å; V548-E570 VanDerWaalsContact CG1-OE1 3.32Å; V548-E570 WeakPolarHBondContact CG1-OE1 3.49Å; V548-E570 PolarHBondContact O-N 2.72Å; Y550-E570 HydrophobicContact CE2-CB 4.08Å; Y550-E570 HydrophobicContact CE2-CG 4.06Å; Y550-E570 PolarHBondContact OH-OE1 2.89Å; E570-N574 WeakPolarHBondContact CG-ND2 3.29Å; E570-N574 VanDerWaalsContact O-CB 3.29Å; E570-N574 WeakPolarHBondContact O-CB 3.46Å; E570-N574 PolarHBondContact O-N 2.75Å; E570-N574 PolarHBondContact O-ND2 2.98Å; E570-K599 IonicContact OE1-NZ 3.59Å; E570-K599 PolarHBondContact OE1-NZ 3.23Å
571R93.9Very high86.8Confident144 Ų14468.9 Ų68.954%0.54334%0.341SS..Hα-helixtrans-64.8-55.8172.2-174.8-179.772.7-1761.6112.1C541 C569 Y573 N574 E575C541-R571 PolarHBondContact SG-NH2 2.71Å; C569-R571 PolarHBondContact O-N 3.03Å; C569-R571 VanDerWaalsContact O-N 3.13Å; R571-Y573 PolarHBondContact O-N 2.91Å; R571-N574 PolarHBondContact O-N 3.04Å; R571-N574 VanDerWaalsContact O-N 3.13Å; R571-E575 VanDerWaalsContact CD-OE1 3.29Å; R571-E575 WeakPolarHBondContact CD-OE1 3.26Å; R571-E575 HydrophobicContact CG-CG 4.16Å; R571-E575 WeakPolarHBondContact CG-OE1 3.45Å; R571-E575 IonicContact NE-OE1 3.11Å; R571-E575 WeakPolarHBondContact O-CB 3.12Å; R571-E575 WeakPolarHBondContact O-CG 3.44Å; R571-E575 PolarHBondContact O-N 3.45Å
572C94.5Very high87.7Confident9 Ų968.2 Ų68.26%0.06134%0.338CS..Hα-helixtrans-64-31.5-179.2-70.20000112.2T537 V568 C569 A576T537-C572 HydrophobicContact CG2-CB 4.19Å; V568-C572 HydrophobicContact CG1-CB 3.79Å; C569-C572 PolarHBondContact O-N 3.34Å; C569-C572 VanDerWaalsContact O-N 3.14Å; C569-C572 PolarHBondContact SG-N 3.28Å; C569-C572 VanDerWaalsContact SG-N 3.39Å; C569-C572 VanDerWaalsContact SG-SG 3.62Å; C572-A576 PolarHBondContact O-N 3.21Å
573Y95.1Very high88.2Confident39 Ų3964.8 Ų64.815%0.15332%0.32CS..Hα-helixtrans-63.5-53.9169.6-172.4-88.1000110.8Y550 C569 R571 E575 A576 I580 K594 M597Y550-Y573 HydrophobicContact CD1-CD1 4.35Å; Y550-Y573 AromaticContact CD1-CD2 3.74Å; Y550-Y573 HydrophobicContact CD1-CD2 3.74Å; Y550-Y573 HydrophobicContact CD1-CE1 4.21Å; Y550-Y573 AromaticContact CD1-CE2 3.59Å; Y550-Y573 HydrophobicContact CD1-CE2 3.59Å; Y550-Y573 HydrophobicContact CD1-CG 4.12Å; Y550-Y573 AromaticContact CD1-CZ 3.83Å; Y550-Y573 VanDerWaalsContact CD2-CB 3.47Å; Y550-Y573 AromaticContact CD2-CD1 3.97Å; Y550-Y573 HydrophobicContact CD2-CD1 3.97Å; Y550-Y573 AromaticContact CD2-CD2 3.61Å; Y550-Y573 HydrophobicContact CD2-CD2 3.61Å; Y550-Y573 HydrophobicContact CD2-CE2 4.32Å; Y550-Y573 AromaticContact CD2-CG 3.41Å; Y550-Y573 HydrophobicContact CD2-CG 3.41Å; Y550-Y573 VanDerWaalsContact CD2-CG 3.41Å; Y550-Y573 HydrophobicContact CE1-CD1 4.01Å; Y550-Y573 HydrophobicContact CE1-CD2 4.23Å; Y550-Y573 AromaticContact CE1-CE1 3.77Å; Y550-Y573 HydrophobicContact CE1-CE1 3.77Å; Y550-Y573 HydrophobicContact CE1-CE2 4.01Å; Y550-Y573 HydrophobicContact CE1-CG 4.23Å; Y550-Y573 AromaticContact CE1-CZ 3.76Å; Y550-Y573 AromaticContact CE2-CD1 3.61Å; Y550-Y573 HydrophobicContact CE2-CD1 3.61Å; Y550-Y573 HydrophobicContact CE2-CD2 4.12Å; Y550-Y573 HydrophobicContact CE2-CE1 4.23Å; Y550-Y573 AromaticContact CE2-CG 3.55Å; Y550-Y573 HydrophobicContact CE2-CG 3.55Å; Y550-Y573 HydrophobicContact CG-CD1 4.32Å; Y550-Y573 AromaticContact CG-CD2 3.39Å; Y550-Y573 HydrophobicContact CG-CD2 3.39Å; Y550-Y573 AromaticContact CG-CE2 3.76Å; Y550-Y573 HydrophobicContact CG-CE2 3.76Å; Y550-Y573 AromaticContact CG-CG 3.71Å; Y550-Y573 HydrophobicContact CG-CG 3.71Å; Y550-Y573 AromaticContact CZ-CD1 3.62Å; Y550-Y573 AromaticContact CZ-CE1 3.78Å; Y550-Y573 AromaticContact CZ-CG 3.95Å; C569-Y573 PolarHBondContact O-N 3.45Å; R571-Y573 PolarHBondContact O-N 2.91Å; Y573-E575 PolarHBondContact O-N 3.26Å; Y573-A576 PolarHBondContact O-N 3.34Å; Y573-I580 HydrophobicContact CD2-CD1 3.35Å; Y573-I580 HydrophobicContact CE2-CD1 3.91Å; Y573-I580 HydrophobicContact CG-CD1 4.07Å; Y573-K594 HydrophobicContact CD2-CG 4.38Å; Y573-K594 HydrophobicContact CE1-CD 4.09Å; Y573-K594 HydrophobicContact CE1-CG 4.48Å; Y573-K594 HydrophobicContact CE2-CB 4.07Å; Y573-K594 HydrophobicContact CE2-CD 4.29Å; Y573-K594 HydrophobicContact CE2-CG 3.8Å; Y573-K594 WeakPolarHBondContact O-CE 3.19Å; Y573-K594 PolarHBondContact O-NZ 3.28Å; Y573-K594 PolarHBondContact OH-O 3.12Å; Y573-M597 HydrophobicContact CD2-SD 4.03Å; Y573-M597 HydrophobicContact CE2-CB 4.1Å; Y573-M597 HydrophobicContact CE2-CG 4.42Å; Y573-M597 HydrophobicContact CE2-SD 4.09Å
574N94.1Very high88.4Confident102 Ų10260.5 Ų60.555%0.54530%0.302SS..Hα-helixtrans-65.7-34.1-176.5-70.1-17.2000113.6E570 R571 A576E570-N574 WeakPolarHBondContact CG-ND2 3.29Å; E570-N574 VanDerWaalsContact O-CB 3.29Å; E570-N574 WeakPolarHBondContact O-CB 3.46Å; E570-N574 PolarHBondContact O-N 2.75Å; E570-N574 PolarHBondContact O-ND2 2.98Å; R571-N574 PolarHBondContact O-N 3.04Å; R571-N574 VanDerWaalsContact O-N 3.13Å; N574-A576 VanDerWaalsContact C-N 3.35Å
575E93.6Very high87.6Confident102 Ų10259.3 Ų59.348%0.47730%0.301SS..Hα-helixtrans-71.3-23.6177.9-73.3173.717500114.2K539 R571 Y573K539-E575 IonicContact NZ-OE2 3.34Å; K539-E575 PolarHBondContact NZ-OE2 2.84Å; R571-E575 VanDerWaalsContact CD-OE1 3.29Å; R571-E575 WeakPolarHBondContact CD-OE1 3.26Å; R571-E575 HydrophobicContact CG-CG 4.16Å; R571-E575 WeakPolarHBondContact CG-OE1 3.45Å; R571-E575 IonicContact NE-OE1 3.11Å; R571-E575 WeakPolarHBondContact O-CB 3.12Å; R571-E575 WeakPolarHBondContact O-CG 3.44Å; R571-E575 PolarHBondContact O-N 3.45Å; Y573-E575 PolarHBondContact O-N 3.26Å
576A87.9Confident86Confident26 Ų2657.8 Ų57.822%0.21530%0.302CS..SBendtrans-75.3160.7178.400000112.5C572 Y573 N574 I580 K594C572-A576 PolarHBondContact O-N 3.21Å; Y573-A576 PolarHBondContact O-N 3.34Å; N574-A576 VanDerWaalsContact C-N 3.35Å; A576-I580 HydrophobicContact CB-CD1 4.44Å; A576-I580 HydrophobicContact CB-CG1 3.46Å; A576-I580 VanDerWaalsContact CB-CG1 3.46Å; A576-K594 PolarHBondContact O-NZ 3.24Å
577L87.9Confident84.6Confident150 Ų15063 Ų6379%0.78534%0.34SS*.  trans-80.7-150.2166.3-60.4178.2000109.4Q579 K594L577-Q579 PolarHBondContact O-N 2.85Å; L577-Q579 VanDerWaalsContact O-N 3.15Å; L577-K594 WeakPolarHBondContact O-CD 3.37Å; L577-K594 WeakPolarHBondContact O-CE 3.19Å; L577-K594 PolarHBondContact O-NZ 3.44Å
578D90.5Very high83.5Confident129 Ų12968.3 Ų68.369%0.6937%0.368SS*.SBendtrans-65.2-15.5-179.5-58.9-41.7000114.2Q593 K594D578-Q593 WeakPolarHBondContact O-CA 3.44Å; D578-K594 PolarHBondContact O-N 3.47Å
579Q90.3Very high82.6Confident98 Ų9871.3 Ų71.346%0.45839%0.387SS..EExtended strand (participates in β ladder)trans-121.3139.7176.9-65.7-178.53.200111.2L577 N591 V592 Q593L577-Q579 PolarHBondContact O-N 2.85Å; L577-Q579 VanDerWaalsContact O-N 3.15Å; Q579-N591 HydrophobicContact CB-CB 4.3Å; Q579-N591 PolarHBondContact OE1-ND2 3.3Å; Q579-V592 CarbonylContact C-O 3.52Å; Q579-V592 VanDerWaalsContact CA-O 3.31Å; Q579-V592 WeakPolarHBondContact CA-O 3.38Å; Q579-Q593 HydrophobicContact CG-CG 4.2Å
580I90.5Very high82Confident4 Ų471.8 Ų71.82%0.02139%0.39CS..EExtended strand (participates in β ladder)trans-108.9128.9173.2-71.9160.1000108.4T537 V568 Y573 A576 L582 N591 V592 K594 M597T537-I580 HydrophobicContact CG2-CG2 3.98Å; V568-I580 HydrophobicContact CG1-CG2 4.45Å; V568-I580 HydrophobicContact CG2-CG2 4.23Å; Y573-I580 HydrophobicContact CD2-CD1 3.35Å; Y573-I580 HydrophobicContact CE2-CD1 3.91Å; Y573-I580 HydrophobicContact CG-CD1 4.07Å; A576-I580 HydrophobicContact CB-CD1 4.44Å; A576-I580 HydrophobicContact CB-CG1 3.46Å; A576-I580 VanDerWaalsContact CB-CG1 3.46Å; I580-L582 HydrophobicContact CG2-CD2 4.01Å; I580-L582 PolarHBondContact O-N 3.05Å; I580-N591 WeakPolarHBondContact O-CA 2.97Å; I580-V592 PolarHBondContact N-O 3.31Å; I580-V592 PolarHBondContact O-N 2.91Å; I580-K594 HydrophobicContact CD1-CG 3.78Å; I580-K594 HydrophobicContact CG1-CG 4.2Å; I580-M597 HydrophobicContact CD1-SD 3.58Å; I580-M597 VanDerWaalsContact CD1-SD 3.58Å
581A89.7Confident81.7Confident35 Ų3573.1 Ų73.129%0.28940%0.399SS..EExtended strand (participates in β ladder)trans-77.310517000000109.3P538 P589P538-A581 WeakPolarHBondContact CD-O 3.35Å; A581-P589 HydrophobicContact CB-CB 4.15Å; A581-P589 HydrophobicContact CB-CG 4.4Å
582L85.9Confident81.4Confident0 Ų066.6 Ų66.60%038%0.375CS..EExtended strand (participates in β ladder)trans-83.8144.8169.8-63179.6000109.9L536 Y552 L561 Y566 V568 I580 P589 V590 V592L536-L582 WeakPolarHBondContact O-CA 3.35Å; Y552-L582 HydrophobicContact CD1-CD1 3.9Å; Y552-L582 HydrophobicContact CG-CD1 4.39Å; L561-L582 HydrophobicContact CD1-CD1 4.19Å; L561-L582 HydrophobicContact CD2-CB 4.27Å; L561-L582 HydrophobicContact CD2-CD1 4.49Å; Y566-L582 HydrophobicContact CD1-CD1 4.29Å; Y566-L582 HydrophobicContact CD2-CD1 4.49Å; Y566-L582 HydrophobicContact CG-CD1 3.92Å; V568-L582 HydrophobicContact CG2-CD2 3.43Å; V568-L582 VanDerWaalsContact CG2-CD2 3.43Å; I580-L582 HydrophobicContact CG2-CD2 4.01Å; I580-L582 PolarHBondContact O-N 3.05Å; L582-P589 CarbonylContact O-C 3.56Å; L582-P589 WeakPolarHBondContact O-CA 3.4Å; L582-P589 WeakPolarHBondContact O-CB 3.27Å; L582-V590 PolarHBondContact N-O 2.9Å; L582-V590 PolarHBondContact O-N 3.11Å; L582-V592 HydrophobicContact CD1-CB 4.11Å; L582-V592 HydrophobicContact CD1-CG2 3.64Å; L582-V592 HydrophobicContact CG-CG2 4.29Å
583D74.5Confident81.2Confident52 Ų5270.9 Ų70.928%0.27839%0.394SS..  trans-75.5158.6176.8-16023.1000112.5L536 F540L536-D583 PolarHBondContact O-N 3.42Å; F540-D583 WeakPolarHBondContact CE1-OD2 3.33Å; F540-D583 WeakPolarHBondContact CZ-OD2 3.39Å
584S65.9Low81.1Confident13 Ų1370.9 Ų70.99%0.09140%0.395CS..  trans-151.4141.9-174.2175.40000111.8G560 S586G560-S584 PolarHBondContact O-OG 2.92Å; S584-S586 CarbonylContact C-O 3.29Å; S584-S586 WeakPolarHBondContact CB-O 3.47Å; S584-S586 CarbonylContact O-C 3.58Å; S584-S586 PolarHBondContact O-N 3.27Å; S584-S586 WeakPolarHBondContact OG-CB 3.44Å; S584-S586 PolarHBondContact OG-N 3.2Å; S584-S586 PolarHBondContact OG-O 2.8Å
585D56.7Low80.9Confident142 Ų14270.5 Ų70.576%0.75940%0.4SS*.SBendtrans-56.7-20.8168.3-55.7-17.4000112.7L562L562-D585 HydrophobicContact CD1-CB 3.92Å; L562-D585 WeakPolarHBondContact CD1-OD2 3.47Å
586S51.5Low80.8Confident64 Ų6470.4 Ų70.445%0.44840%0.402SS..SBendtrans-84.1124165.4-58.70000108.6S584 N588S584-S586 CarbonylContact C-O 3.29Å; S584-S586 WeakPolarHBondContact CB-O 3.47Å; S584-S586 CarbonylContact O-C 3.58Å; S584-S586 PolarHBondContact O-N 3.27Å; S584-S586 WeakPolarHBondContact OG-CB 3.44Å; S584-S586 PolarHBondContact OG-N 3.2Å; S584-S586 PolarHBondContact OG-O 2.8Å; S586-N588 CarbonylContact O-C 3.53Å; S586-N588 PolarHBondContact O-N 3.31Å
587S58.9Low81.1Confident120 Ų12070 Ų7084%0.83940%0.396SS*.SBendtrans-63.219.7-165.3-36.50000118.3
588N68.3Low81.3Confident128 Ų12867.3 Ų67.368%0.68438%0.38SS*.SBendtrans-130.1127.2168.1-54.9-88.2000107.9S586S586-N588 CarbonylContact O-C 3.53Å; S586-N588 PolarHBondContact O-N 3.31Å
589P74.5Confident81.6Confident62 Ų6266.8 Ų66.840%0.40337%0.371SS..PPolyproline II helixtrans-64.4149.918027.8-35.4000111.9P538 A581 L582P538-P589 HydrophobicContact CG-CB 4.35Å; A581-P589 HydrophobicContact CB-CB 4.15Å; A581-P589 HydrophobicContact CB-CG 4.4Å; L582-P589 CarbonylContact O-C 3.56Å; L582-P589 WeakPolarHBondContact O-CA 3.4Å; L582-P589 WeakPolarHBondContact O-CB 3.27Å
590V82.8Confident81.7Confident23 Ų2363.5 Ų63.514%0.13936%0.359CS..EExtended strand (participates in β ladder)trans-98.9121.5-178-178.90000109.7T558 L561 L582 V592T558-V590 HydrophobicContact CG2-CG1 4.42Å; L561-V590 HydrophobicContact CD1-CB 4.42Å; L561-V590 HydrophobicContact CD1-CG1 4.08Å; L561-V590 HydrophobicContact CD2-CB 3.91Å; L561-V590 HydrophobicContact CD2-CG1 4.43Å; L561-V590 HydrophobicContact CD2-CG2 4.06Å; L561-V590 HydrophobicContact CG-CB 4.02Å; L561-V590 HydrophobicContact CG-CG1 4.02Å; L561-V590 HydrophobicContact CG-CG2 4.14Å; L582-V590 PolarHBondContact N-O 2.9Å; L582-V590 PolarHBondContact O-N 3.11Å; V590-V592 HydrophobicContact CG1-CG2 4.5Å
591N88.8Confident81.8Confident93 Ų9366.7 Ų66.750%0.49737%0.372SS..EExtended strand (participates in β ladder)trans-78.3123176.6-75-0.8000111.5Q579 I580Q579-N591 HydrophobicContact CB-CB 4.3Å; Q579-N591 PolarHBondContact OE1-ND2 3.3Å; I580-N591 WeakPolarHBondContact O-CA 2.97Å
592V87.9Confident81.8Confident7 Ų765.3 Ų65.34%0.04236%0.36CS..EExtended strand (participates in β ladder)trans-118140.4175.6175.60000109.8Y552 L561 Q579 I580 L582 V590 L596Y552-V592 HydrophobicContact CD1-CG1 4.16Å; Y552-V592 HydrophobicContact CD1-CG2 4.13Å; Y552-V592 HydrophobicContact CD2-CG1 3.56Å; Y552-V592 HydrophobicContact CE1-CG1 4.3Å; Y552-V592 HydrophobicContact CE1-CG2 4.03Å; Y552-V592 HydrophobicContact CE2-CG1 3.73Å; Y552-V592 HydrophobicContact CG-CG1 3.79Å; L561-V592 HydrophobicContact CD1-CG2 3.93Å; Q579-V592 CarbonylContact C-O 3.52Å; Q579-V592 VanDerWaalsContact CA-O 3.31Å; Q579-V592 WeakPolarHBondContact CA-O 3.38Å; I580-V592 PolarHBondContact N-O 3.31Å; I580-V592 PolarHBondContact O-N 2.91Å; L582-V592 HydrophobicContact CD1-CB 4.11Å; L582-V592 HydrophobicContact CD1-CG2 3.64Å; L582-V592 HydrophobicContact CG-CG2 4.29Å; V590-V592 HydrophobicContact CG1-CG2 4.5Å; V592-L596 HydrophobicContact CG1-CB 4.41Å; V592-L596 HydrophobicContact CG1-CD1 4.49Å
593Q90.3Very high81.8Confident100 Ų10068.2 Ų68.247%0.46738%0.376SS..EExtended strand (participates in β ladder)trans-70.1138.2176.8-85.2-169.1-50.700112.4D578 Q579 S595 L596D578-Q593 WeakPolarHBondContact O-CA 3.44Å; Q579-Q593 HydrophobicContact CG-CG 4.2Å; Q593-S595 PolarHBondContact O-N 3.12Å; Q593-L596 HydrophobicContact CB-CD1 4.31Å; Q593-L596 HydrophobicContact CB-CG 4.23Å; Q593-L596 WeakPolarHBondContact O-CB 3.47Å; Q593-L596 PolarHBondContact O-N 3.4Å
594K92.9Very high82.1Confident39 Ų3971.3 Ų71.317%0.1739%0.391CS..G310 helixtrans-52.9-35.6175.2-85.5-171.6169.5173.60114.6Y573 A576 L577 D578 I580 L596 M597Y573-K594 HydrophobicContact CD2-CG 4.38Å; Y573-K594 HydrophobicContact CE1-CD 4.09Å; Y573-K594 HydrophobicContact CE1-CG 4.48Å; Y573-K594 HydrophobicContact CE2-CB 4.07Å; Y573-K594 HydrophobicContact CE2-CD 4.29Å; Y573-K594 HydrophobicContact CE2-CG 3.8Å; Y573-K594 WeakPolarHBondContact O-CE 3.19Å; Y573-K594 PolarHBondContact O-NZ 3.28Å; Y573-K594 PolarHBondContact OH-O 3.12Å; A576-K594 PolarHBondContact O-NZ 3.24Å; L577-K594 WeakPolarHBondContact O-CD 3.37Å; L577-K594 WeakPolarHBondContact O-CE 3.19Å; L577-K594 PolarHBondContact O-NZ 3.44Å; D578-K594 PolarHBondContact O-N 3.47Å; I580-K594 HydrophobicContact CD1-CG 3.78Å; I580-K594 HydrophobicContact CG1-CG 4.2Å; K594-L596 PolarHBondContact O-N 2.82Å; K594-M597 PolarHBondContact O-N 3.3Å
595S90.7Very high83Confident93 Ų9376.1 Ų76.165%0.6541%0.41SS*.G310 helixtrans-66.8-15.6-18047.10000113.9Q593Q593-S595 PolarHBondContact O-N 3.12Å
596L91.2Very high84.5Confident100 Ų10074.1 Ų74.152%0.52440%0.397SS..G310 helixtrans-93.43.2176.5-54.6178.3000112.6Y552 V592 Q593 K594Y552-L596 HydrophobicContact CD2-CB 4.1Å; Y552-L596 HydrophobicContact CE2-CB 4.04Å; Y552-L596 HydrophobicContact CE2-CD1 4.4Å; V592-L596 HydrophobicContact CG1-CB 4.41Å; V592-L596 HydrophobicContact CG1-CD1 4.49Å; Q593-L596 HydrophobicContact CB-CD1 4.31Å; Q593-L596 HydrophobicContact CB-CG 4.23Å; Q593-L596 WeakPolarHBondContact O-CB 3.47Å; Q593-L596 PolarHBondContact O-N 3.4Å; K594-L596 PolarHBondContact O-N 2.82Å
597M92.6Very high86.3Confident17 Ų1776.6 Ų76.68%0.08440%0.399CS..PPolyproline II helixtrans-103.3126.4-178.9-54.4-162.478.100112.5V551 V568 Y573 I580 K594V551-M597 CarbonylContact O-C 3.27Å; V551-M597 VanDerWaalsContact O-CA 3.28Å; V551-M597 WeakPolarHBondContact O-CA 3.25Å; V568-M597 HydrophobicContact CB-CE 4.01Å; V568-M597 HydrophobicContact CG2-CE 3.68Å; V568-M597 HydrophobicContact CG2-SD 4.5Å; Y573-M597 HydrophobicContact CD2-SD 4.03Å; Y573-M597 HydrophobicContact CE2-CB 4.1Å; Y573-M597 HydrophobicContact CE2-CG 4.42Å; Y573-M597 HydrophobicContact CE2-SD 4.09Å; I580-M597 HydrophobicContact CD1-SD 3.58Å; I580-M597 VanDerWaalsContact CD1-SD 3.58Å; K594-M597 PolarHBondContact O-N 3.3Å
598E93.8Very high88Confident94 Ų9471 Ų7144%0.43936%0.36SS..EExtended strand (participates in β ladder)trans-77.6132.2175-174.7-179.1164.100110.5Y550 V551 K553Y550-E598 CarbonylContact C-O 3.58Å; Y550-E598 VanDerWaalsContact CA-O 3.3Å; Y550-E598 WeakPolarHBondContact CA-O 3.39Å; V551-E598 HydrophobicContact CB-CB 4.45Å; V551-E598 PolarHBondContact N-O 2.83Å; V551-E598 PolarHBondContact O-N 3.22Å; K553-E598 VanDerWaalsContact CE-OE2 3.27Å; K553-E598 WeakPolarHBondContact CE-OE2 3.34Å; K553-E598 IonicContact NZ-OE1 2.72Å; K553-E598 IonicContact NZ-OE2 2.75Å; K553-E598 PolarHBondContact NZ-OE2 2.81Å
599K95.9Very high89.2Confident118 Ų11867.1 Ų67.151%0.51334%0.341SS..EExtended strand (participates in β ladder)trans-81.5118.2175.7-171.2-176.1-17995.80109.6V548 Y550 E570V548-K599 HydrophobicContact CG1-CD 4.37Å; V548-K599 VanDerWaalsContact CG1-CE 3.5Å; V548-K599 HydrophobicContact CG1-CG 3.99Å; Y550-K599 HydrophobicContact CD1-CB 4.01Å; Y550-K599 HydrophobicContact CD1-CG 4.25Å; Y550-K599 HydrophobicContact CE1-CB 3.7Å; Y550-K599 HydrophobicContact CE1-CD 4.2Å; Y550-K599 HydrophobicContact CE1-CG 3.67Å; Y550-K599 PolarHBondContact OH-NZ 3.48Å; E570-K599 IonicContact OE1-NZ 3.59Å; E570-K599 PolarHBondContact OE1-NZ 3.23Å
600C93.6Very high90.1Very high29 Ų2967.1 Ų67.120%0.19634%0.335CS..EExtended strand (participates in β ladder)trans-119.7170.1-179.7-59.30000111.4Y549 V551Y549-C600 HydrophobicContact CD1-CB 3.95Å; Y549-C600 HydrophobicContact CD2-CB 4.38Å; Y549-C600 HydrophobicContact CE1-CB 3.55Å; Y549-C600 HydrophobicContact CE2-CB 4.07Å; Y549-C600 HydrophobicContact CG-CB 4.35Å; Y549-C600 PolarHBondContact N-O 2.7Å; Y549-C600 CarbonylContact O-C 3.58Å; Y549-C600 PolarHBondContact O-N 3.28Å; V551-C600 HydrophobicContact CG2-CB 4.19Å; V551-C600 VanDerWaalsContact CG2-SG 3.55Å
601K91.6Very high90.7Very high71 Ų7166.9 Ų66.931%0.30933%0.334SS..EExtended strand (participates in β ladder)trans-132142.5172.8-171.8175.2170.8-64.70109.2D546 A547 D603D546-K601 WeakPolarHBondContact O-CE 3.34Å; D546-K601 WeakPolarHBondContact O-CG 3.35Å; D546-K601 PolarHBondContact O-NZ 3.38Å; D546-K601 IonicContact OD1-NZ 3.69Å; D546-K601 PolarHBondContact OD1-NZ 2.84Å; A547-K601 WeakPolarHBondContact O-CA 3.36Å; K601-D603 WeakPolarHBondContact CB-OD1 2.99Å; K601-D603 IonicContact NZ-OD1 2.69Å; K601-D603 IonicContact NZ-OD2 2.62Å; K601-D603 PolarHBondContact NZ-OD2 3.15Å; K601-D603 PolarHBondContact O-N 3.23Å
602N89.8Confident91Very high7 Ų765.7 Ų65.74%0.03732%0.324CS..SBendtrans-86.758.3-173.9-166.416.9000112.2P530 P531 Y544 D546 A547 Y549P530-N602 WeakPolarHBondContact CB-O 3.22Å; P531-N602 PolarHBondContact O-ND2 2.97Å; Y544-N602 WeakPolarHBondContact O-CB 3.47Å; Y544-N602 PolarHBondContact O-ND2 2.93Å; D546-N602 PolarHBondContact N-O 3.23Å; A547-N602 PolarHBondContact O-N 2.68Å; Y549-N602 HydrophobicContact CD1-CB 4.2Å; Y549-N602 HydrophobicContact CE1-CB 4.09Å
603D85.2Confident91.4Very high61 Ų6165.3 Ų65.333%0.32632%0.322SS..  trans-129.211.8-178.560.9-21.4000114.8K601 K605K601-D603 WeakPolarHBondContact CB-OD1 2.99Å; K601-D603 IonicContact NZ-OD1 2.69Å; K601-D603 IonicContact NZ-OD2 2.62Å; K601-D603 PolarHBondContact NZ-OD2 3.15Å; K601-D603 PolarHBondContact O-N 3.23Å; D603-K605 PolarHBondContact O-N 2.82Å
604I82Confident91.5Very high117 Ų11765.1 Ų65.160%0.632%0.32SS*.  trans-64.2122.1168.4-58.7175.6000108.7P530P530-I604 WeakPolarHBondContact CG-O 2.89Å
605K83.7Confident91.4Very high113 Ų11366.3 Ų66.349%0.49133%0.326SS..  trans-111.1136.9176.2-58.6-179.8-172.31720110.3Y527 P530 D603Y527-K605 HydrophobicContact CD1-CB 3.57Å; Y527-K605 HydrophobicContact CD1-CD 4.15Å; Y527-K605 HydrophobicContact CE1-CB 4.33Å; Y527-K605 HydrophobicContact CG-CB 4.17Å; Y527-K605 HydrophobicContact CG-CD 4.11Å; P530-K605 HydrophobicContact CG-CG 4.39Å; D603-K605 PolarHBondContact O-N 2.82Å
606E88.5Confident91.5Very high101 Ų10162 Ų6247%0.47230%0.295SS..PPolyproline II helixtrans-102.7135.5176.6-66.9173.4-15200110.2Y527 Y528 H1016Y527-E606 CarbonylContact C-O 3.6Å; Y527-E606 VanDerWaalsContact CA-O 3.28Å; Y527-E606 WeakPolarHBondContact CA-O 3.09Å; Y528-E606 PolarHBondContact N-O 2.96Å; E606-H1016 IonicContact OE2-CE1 2.65Å; E606-H1016 PolarHBondContact OE2-CE1 2.85Å; E606-H1016 IonicContact OE2-ND1 2.73Å; E606-H1016 IonicContact OE2-NE2 2.71Å
607K89.8Confident91.6Very high116 Ų11657.4 Ų57.450%0.50427%0.273SS..BIsolated β-bridgetrans-71.3144.8178-64.4-169.7-173.5-166.50110.4E525 Y527E525-K607 WeakPolarHBondContact OE1-CE 3.42Å; E525-K607 IonicContact OE1-NZ 3.1Å; E525-K607 PolarHBondContact OE1-NZ 2.94Å; Y527-K607 HydrophobicContact CD1-CG 3.98Å; Y527-K607 HydrophobicContact CE1-CD 4.39Å; Y527-K607 HydrophobicContact CE1-CG 3.53Å; Y527-K607 WeakPolarHBondContact OH-CE 3.25Å
608E93.6Very high91.7Very high3 Ų357.2 Ų57.21%0.01427%0.271CS..PPolyproline II helixtrans-65.9134.3172.3-77.7-170-168.100111.3Y526 Y528 V623 R1023 R1024Y526-E608 VanDerWaalsContact CB-CD 3.47Å; Y526-E608 PolarHBondContact O-N 3.05Å; Y528-E608 HydrophobicContact CD2-CG 4.33Å; Y528-E608 HydrophobicContact CE1-CG 4.21Å; Y528-E608 HydrophobicContact CE2-CB 4.47Å; Y528-E608 HydrophobicContact CE2-CG 3.94Å; E608-V623 WeakPolarHBondContact OE2-CB 3.14Å; E608-V623 WeakPolarHBondContact OE2-CG2 3.41Å; E608-R1023 VanDerWaalsContact CD-NH1 3.33Å; E608-R1023 IonicContact OE1-CZ 3.58Å; E608-R1023 IonicContact OE1-NH1 2.66Å; E608-R1023 PolarHBondContact OE1-NH1 3.06Å; E608-R1023 IonicContact OE1-NH2 3.66Å; E608-R1023 IonicContact OE2-CZ 3.89Å; E608-R1023 IonicContact OE2-NH1 2.71Å; E608-R1023 PolarHBondContact OE2-NH1 2.82Å; E608-R1023 VanDerWaalsContact OE2-NH1 3.15Å; E608-R1023 IonicContact OE2-NH2 2.61Å; E608-R1023 PolarHBondContact OE2-NH2 3.07Å; E608-R1024 IonicContact OE1-CZ 2.68Å; E608-R1024 IonicContact OE1-NE 2.83Å; E608-R1024 PolarHBondContact OE1-NE 2.9Å; E608-R1024 IonicContact OE1-NH2 2.65Å; E608-R1024 PolarHBondContact OE1-NH2 3.31Å
609P93.7Very high91.6Very high45 Ų4554 Ų5429%0.29226%0.256SS..PPolyproline II helixtrans-69.8145.5-179.827-33.6000111.8R622P609-R622 HydrophobicContact CG-CB 4.24Å; P609-R622 WeakPolarHBondContact O-CB 3.28Å; P609-R622 PolarHBondContact O-N 2.98Å
610F94.7Very high91.6Very high62 Ų6249.3 Ų49.327%0.27224%0.235SC..EExtended strand (participates in β ladder)trans-88.1153.5172.2-71.6-92.7000111.6W473 F612 K619 W620 H621W473-F610 HydrophobicContact CH2-CE1 4.15Å; W473-F610 HydrophobicContact CH2-CZ 4.28Å; W473-F610 HydrophobicContact CZ2-CE1 4.12Å; W473-F610 HydrophobicContact CZ3-CZ 4.27Å; F610-F612 HydrophobicContact CB-CE1 4.48Å; F610-F612 HydrophobicContact CB-CZ 4.2Å; F610-K619 HydrophobicContact CB-CB 4.49Å; F610-K619 HydrophobicContact CD1-CB 3.92Å; F610-K619 HydrophobicContact CD1-CD 4.21Å; F610-K619 HydrophobicContact CD1-CG 3.69Å; F610-K619 HydrophobicContact CE1-CD 4.3Å; F610-K619 HydrophobicContact CE1-CG 3.9Å; F610-K619 HydrophobicContact CG-CB 4.46Å; F610-K619 HydrophobicContact CG-CG 4.42Å; F610-W620 CarbonylContact C-O 3.49Å; F610-W620 WeakPolarHBondContact CA-O 3.45Å; F610-H621 AromaticContact CE1-CD2 3.87Å; F610-H621 AromaticContact CE1-CE1 3.81Å; F610-H621 AromaticContact CE1-NE2 3.72Å; F610-H621 AromaticContact CZ-CD2 3.73Å; F610-H621 AromaticContact CZ-CE1 3.78Å; F610-H621 AromaticContact CZ-NE2 3.33Å; F610-H621 VanDerWaalsContact CZ-NE2 3.33Å; F610-H621 WeakPolarHBondContact CZ-NE2 3.46Å
611V95.3Very high91.7Very high19 Ų1948.1 Ų48.112%0.11523%0.226CC..EExtended strand (participates in β ladder)trans-128.8156.6166.5-62.90000108.9W620 R622 A625 Y627 F636V611-W620 HydrophobicContact CG2-CB 4.49Å; V611-W620 PolarHBondContact N-O 3.32Å; V611-W620 PolarHBondContact O-N 2.94Å; V611-R622 HydrophobicContact CG1-CB 3.93Å; V611-R622 HydrophobicContact CG1-CG 3.8Å; V611-A625 HydrophobicContact CG2-CB 3.58Å; V611-Y627 HydrophobicContact CB-CD1 4.38Å; V611-Y627 HydrophobicContact CG1-CD1 4.02Å; V611-Y627 HydrophobicContact CG2-CD1 4.47Å; V611-F636 HydrophobicContact CG2-CD1 3.92Å; V611-F636 HydrophobicContact CG2-CE1 4.36Å; V611-F636 HydrophobicContact CG2-CG 4.18Å
612F95.4Very high91.9Very high67 Ų6748.2 Ų48.229%0.29423%0.225SC..EExtended strand (participates in β ladder)trans-118.9121.9-161-67.1-67.2000110.4E264 S265 P267 F610 K614 K619E264-F612 WeakPolarHBondContact O-CE2 3.36Å; E264-F612 WeakPolarHBondContact O-CZ 3.43Å; S265-F612 WeakPolarHBondContact O-CD1 3.34Å; S265-F612 WeakPolarHBondContact O-CE1 3.29Å; P267-F612 HydrophobicContact CB-CB 3.8Å; P267-F612 HydrophobicContact CG-CB 3.63Å; F610-F612 HydrophobicContact CB-CE1 4.48Å; F610-F612 HydrophobicContact CB-CZ 4.2Å; F612-K614 PolarHBondContact O-N 3.09Å; F612-K614 VanDerWaalsContact O-N 3.09Å; F612-K619 HydrophobicContact CD1-CB 3.74Å; F612-K619 HydrophobicContact CE1-CB 3.43Å; F612-K619 VanDerWaalsContact CE1-CB 3.43Å
613C95.1Very high92.2Very high0 Ų048 Ų480%022%0.224CC..  trans-67107.3-179.4179.30000112P267 H615 C616 G617 R618 F636 C638 C641P267-C613 WeakPolarHBondContact CG-O 3.44Å; C613-H615 PolarHBondContact O-N 3.5Å; C613-C616 PolarHBondContact O-N 3.46Å; C613-C616 VanDerWaalsContact O-N 3.08Å; C613-G617 PolarHBondContact O-N 2.79Å; C613-R618 PolarHBondContact N-O 2.65Å; C613-R618 VanDerWaalsContact N-O 3.11Å; C613-F636 CarbonylContact C-O 3Å; C613-F636 WeakPolarHBondContact CA-O 3.47Å; C613-F636 HydrophobicContact CB-CD1 4.15Å; C613-F636 HydrophobicContact CB-CE1 4.07Å; C613-C638 HydrophobicContact CB-CB 3.96Å; C613-C638 PolarHBondContact SG-N 3.27Å; C613-C638 PolarHBondContact SG-SG 2.74Å; C613-C641 VanDerWaalsContact SG-SG 3.65Å
614K92.2Very high92.7Very high96 Ų9646.6 Ų46.642%0.41722%0.218SC..THydrogen-bonded Turntrans-49-31.6180-175.4176.9-177.9-175.40113.8I403 F612 D634 F636I403-K614 WeakPolarHBondContact CG2-O 3.25Å; F612-K614 PolarHBondContact O-N 3.09Å; F612-K614 VanDerWaalsContact O-N 3.09Å; K614-D634 WeakPolarHBondContact CD-O 3.47Å; K614-D634 WeakPolarHBondContact CE-O 3.49Å; K614-D634 PolarHBondContact NZ-O 2.76Å; K614-F636 WeakPolarHBondContact CB-O 3.41Å; K614-F636 PolarHBondContact N-O 3.08Å
615H91.1Very high93.3Very high63 Ų6341.1 Ų41.129%0.29219%0.191SC..THydrogen-bonded Turntrans-84.2-36.2178.3-91.1-90.1000115R404 C613 C641R404-H615 CarbonylContact C-O 3.56Å; R404-H615 VanDerWaalsContact C-O 3.28Å; R404-H615 WeakPolarHBondContact CA-O 3.13Å; R404-H615 PolarHBondContact N-O 2.84Å; R404-H615 VanDerWaalsContact O-O 3.09Å; C613-H615 PolarHBondContact O-N 3.5Å; H615-C641 HydrophobicContact CB-CB 4.15Å; H615-C641 VanDerWaalsContact CB-SG 3.59Å
616C93.5Very high93.8Very high2 Ų236.9 Ų36.91%0.01417%0.173CC..THydrogen-bonded Turntrans-133.412.2-159.377.60000118.4R404 R406 C613 R618 C641R404-C616 CarbonylContact O-C 3.52Å; R404-C616 VanDerWaalsContact O-CA 3.24Å; R404-C616 WeakPolarHBondContact O-CA 3.39Å; R406-C616 VanDerWaalsContact CB-O 3.26Å; R406-C616 WeakPolarHBondContact CB-O 3.24Å; R406-C616 PolarHBondContact N-O 2.76Å; C613-C616 PolarHBondContact O-N 3.46Å; C613-C616 VanDerWaalsContact O-N 3.08Å; C616-R618 PolarHBondContact O-N 3.05Å; C616-R618 PolarHBondContact SG-NH1 2.85Å; C616-R618 VanDerWaalsContact SG-NH1 3.4Å; C616-C641 WeakPolarHBondContact CB-SG 3.26Å; C616-C641 PolarHBondContact SG-SG 2.77Å
617G92.9Very high94.1Very high5 Ų533 Ų335%0.05215%0.154CC..  trans84.9-17.317300000116.2P267 R405 C613 K619P267-G617 VanDerWaalsContact CD-C 3.47Å; P267-G617 VanDerWaalsContact CD-CA 3.5Å; P267-G617 VanDerWaalsContact CD-O 3.22Å; P267-G617 WeakPolarHBondContact CD-O 3.49Å; P267-G617 VanDerWaalsContact CG-CA 3.48Å; R405-G617 VanDerWaalsContact CA-CA 3.42Å; C613-G617 PolarHBondContact O-N 2.79Å; G617-K619 PolarHBondContact O-N 2.79Å
618R94Very high94.3Very high12 Ų1228.1 Ų28.15%0.04513%0.134CC..  trans-79.1127.2-167.5-65.1-176.8177.394.1-23.3112.2W408 L518 G519 F520 C613 C616 H640W408-R618 HydrophobicContact CZ2-CG 4.27Å; L518-R618 PolarHBondContact O-NE 3.04Å; L518-R618 PolarHBondContact O-NH2 3.5Å; G519-R618 VanDerWaalsContact C-CD 3.47Å; G519-R618 WeakPolarHBondContact O-CD 3.4Å; F520-R618 HydrophobicContact CD1-CB 3.71Å; F520-R618 HydrophobicContact CD1-CG 4.05Å; F520-R618 HydrophobicContact CE1-CB 3.74Å; F520-R618 HydrophobicContact CE1-CG 3.81Å; F520-R618 HydrophobicContact CZ-CG 4.27Å; C613-R618 PolarHBondContact N-O 2.65Å; C613-R618 VanDerWaalsContact N-O 3.11Å; C616-R618 PolarHBondContact O-N 3.05Å; C616-R618 PolarHBondContact SG-NH1 2.85Å; C616-R618 VanDerWaalsContact SG-NH1 3.4Å; R618-H640 PolarHBondContact NH2-NE2 2.54Å
619K93Very high94.2Very high28 Ų2834 Ų3412%0.12216%0.161CC..EExtended strand (participates in β ladder)trans-74.9128170.281.6-172-146.2-161.20110.7W473 D477 F520 F610 F612 G617W473-K619 HydrophobicContact CB-CD 4.21Å; W473-K619 HydrophobicContact CD2-CD 4.2Å; W473-K619 HydrophobicContact CD2-CG 4.3Å; W473-K619 HydrophobicContact CG-CD 3.77Å; W473-K619 HydrophobicContact CG-CG 4.08Å; D477-K619 IonicContact OD2-NZ 2.91Å; D477-K619 PolarHBondContact OD2-NZ 3.47Å; D477-K619 VanDerWaalsContact OD2-NZ 3.15Å; F520-K619 WeakPolarHBondContact CD1-O 3.27Å; F610-K619 HydrophobicContact CB-CB 4.49Å; F610-K619 HydrophobicContact CD1-CB 3.92Å; F610-K619 HydrophobicContact CD1-CD 4.21Å; F610-K619 HydrophobicContact CD1-CG 3.69Å; F610-K619 HydrophobicContact CE1-CD 4.3Å; F610-K619 HydrophobicContact CE1-CG 3.9Å; F610-K619 HydrophobicContact CG-CB 4.46Å; F610-K619 HydrophobicContact CG-CG 4.42Å; F612-K619 HydrophobicContact CD1-CB 3.74Å; F612-K619 HydrophobicContact CE1-CB 3.43Å; F612-K619 VanDerWaalsContact CE1-CB 3.43Å; G617-K619 PolarHBondContact O-N 2.79Å
620W95.4Very high93.9Very high19 Ų1935.5 Ų35.57%0.07216%0.164CC..EExtended strand (participates in β ladder)trans-127.5136.4-177.7-82.548.9000109.2G519 C521 F610 V611 R622 A625 F636 C638 N639G519-W620 WeakPolarHBondContact O-CZ2 3.37Å; G519-W620 PolarHBondContact O-NE1 2.7Å; C521-W620 HydrophobicContact CB-CB 4.31Å; C521-W620 HydrophobicContact CB-CD2 3.56Å; C521-W620 HydrophobicContact CB-CE3 3.49Å; C521-W620 VanDerWaalsContact CB-CE3 3.49Å; C521-W620 HydrophobicContact CB-CG 3.97Å; C521-W620 HydrophobicContact CB-CH2 4.31Å; C521-W620 HydrophobicContact CB-CZ2 4.4Å; C521-W620 HydrophobicContact CB-CZ3 3.88Å; F610-W620 CarbonylContact C-O 3.49Å; F610-W620 WeakPolarHBondContact CA-O 3.45Å; V611-W620 HydrophobicContact CG2-CB 4.49Å; V611-W620 PolarHBondContact N-O 3.32Å; V611-W620 PolarHBondContact O-N 2.94Å; W620-R622 PolarHBondContact O-N 3.35Å; W620-A625 HydrophobicContact CB-CB 4.4Å; W620-A625 HydrophobicContact CE3-CB 4.45Å; W620-F636 HydrophobicContact CB-CE1 3.72Å; W620-F636 HydrophobicContact CB-CZ 4.18Å; W620-F636 AromaticContact CD2-CE1 3.93Å; W620-F636 HydrophobicContact CD2-CE1 3.93Å; W620-F636 AromaticContact CD2-CZ 3.73Å; W620-F636 HydrophobicContact CD2-CZ 3.73Å; W620-F636 HydrophobicContact CE3-CE1 4.25Å; W620-F636 AromaticContact CE3-CZ 3.61Å; W620-F636 HydrophobicContact CE3-CZ 3.61Å; W620-F636 AromaticContact CG-CE1 3.67Å; W620-F636 HydrophobicContact CG-CE1 3.67Å; W620-F636 AromaticContact CG-CZ 3.97Å; W620-F636 HydrophobicContact CG-CZ 3.97Å; W620-F636 HydrophobicContact CZ3-CZ 4.38Å; W620-C638 HydrophobicContact CD2-CB 3.94Å; W620-C638 VanDerWaalsContact CE2-CB 3.49Å; W620-C638 HydrophobicContact CE3-CB 4.39Å; W620-C638 HydrophobicContact CH2-CB 4.19Å; W620-C638 HydrophobicContact CZ2-CB 3.66Å; W620-N639 HydrophobicContact CH2-CB 4.23Å
621H96Very high93.6Very high3 Ų333.4 Ų33.41%0.01416%0.156CC..EExtended strand (participates in β ladder)trans-57.7132.4171.7-6599.2000110W473 C521 C522 R524 Y526 F610 V623 C624 A625W473-H621 AromaticContact CH2-CE1 3.94Å; C521-H621 PolarHBondContact SG-N 2.8Å; C521-H621 PolarHBondContact SG-ND1 3.12Å; C522-H621 PolarHBondContact SG-ND1 3.15Å; R524-H621 PolarHBondContact O-CE1 3.38Å; Y526-H621 AromaticContact CD2-CE1 3.83Å; Y526-H621 AromaticContact CD2-ND1 3.96Å; Y526-H621 AromaticContact CD2-NE2 3.94Å; F610-H621 AromaticContact CE1-CD2 3.87Å; F610-H621 AromaticContact CE1-CE1 3.81Å; F610-H621 AromaticContact CE1-NE2 3.72Å; F610-H621 AromaticContact CZ-CD2 3.73Å; F610-H621 AromaticContact CZ-CE1 3.78Å; F610-H621 AromaticContact CZ-NE2 3.33Å; F610-H621 VanDerWaalsContact CZ-NE2 3.33Å; F610-H621 WeakPolarHBondContact CZ-NE2 3.46Å; H621-V623 PolarHBondContact O-N 3.46Å; H621-V623 VanDerWaalsContact O-N 3.14Å; H621-C624 HydrophobicContact CB-CB 4.12Å; H621-C624 WeakPolarHBondContact O-CA 3.39Å; H621-C624 PolarHBondContact O-N 2.72Å; H621-A625 PolarHBondContact O-N 2.68Å
622R95.5Very high93.3Very high73 Ų7333.8 Ų33.828%0.27516%0.155SC..Hα-helixtrans-53.1-38.8-177.4-168.8173.975.1-162.42.8112.7P609 V611 W620 I626 Y627 Y1027P609-R622 HydrophobicContact CG-CB 4.24Å; P609-R622 WeakPolarHBondContact O-CB 3.28Å; P609-R622 PolarHBondContact O-N 2.98Å; V611-R622 HydrophobicContact CG1-CB 3.93Å; V611-R622 HydrophobicContact CG1-CG 3.8Å; W620-R622 PolarHBondContact O-N 3.35Å; R622-I626 PolarHBondContact O-N 3.17Å; R622-I626 VanDerWaalsContact O-N 3.11Å; R622-Y627 WeakPolarHBondContact CG-O 3.12Å; R622-Y627 PolarHBondContact O-N 3.34Å; R622-Y1027 HydrophobicContact CG-CE2 4.12Å; R622-Y1027 PolarHBondContact NE-OH 2.83Å
623V96.4Very high92.9Very high2 Ų232.8 Ų32.81%0.01216%0.155CC..Hα-helixtrans-68.4-40.3176178.60000112.1E608 H621 I626 R1023 R1024 Y1027E608-V623 WeakPolarHBondContact OE2-CB 3.14Å; E608-V623 WeakPolarHBondContact OE2-CG2 3.41Å; H621-V623 PolarHBondContact O-N 3.46Å; H621-V623 VanDerWaalsContact O-N 3.14Å; V623-I626 WeakPolarHBondContact O-CG1 3.32Å; V623-I626 PolarHBondContact O-N 3.31Å; V623-R1023 HydrophobicContact CG1-CB 4.09Å; V623-R1023 HydrophobicContact CG1-CG 4.22Å; V623-R1023 WeakPolarHBondContact CG1-O 3.18Å; V623-R1024 HydrophobicContact CG1-CG 3.94Å; V623-Y1027 HydrophobicContact CB-CG 4.45Å; V623-Y1027 HydrophobicContact CG1-CG 4.48Å; V623-Y1027 HydrophobicContact CG2-CD1 4.04Å; V623-Y1027 HydrophobicContact CG2-CG 4.12Å
624C95.5Very high92.4Very high32 Ų3236.3 Ų36.322%0.21617%0.174CC..Hα-helixtrans-72-33.5174.9-70.70000112.9C521 H621 I626 R1023C521-C624 HydrophobicContact CB-CB 3.58Å; H621-C624 HydrophobicContact CB-CB 4.12Å; H621-C624 WeakPolarHBondContact O-CA 3.39Å; H621-C624 PolarHBondContact O-N 2.72Å; C624-I626 PolarHBondContact O-N 2.88Å; C624-R1023 PolarHBondContact SG-NE 3.29Å; C624-R1023 PolarHBondContact SG-NH2 3.07Å
625A94.6Very high92.3Very high2 Ų233 Ų332%0.01717%0.168CC..Hα-helixtrans-66.4-27.4173.800000112.1V611 W620 H621 Y627 F636 R649V611-A625 HydrophobicContact CG2-CB 3.58Å; W620-A625 HydrophobicContact CB-CB 4.4Å; W620-A625 HydrophobicContact CE3-CB 4.45Å; H621-A625 PolarHBondContact O-N 2.68Å; A625-Y627 VanDerWaalsContact C-N 3.32Å; A625-F636 HydrophobicContact CB-CD2 4.02Å; A625-F636 HydrophobicContact CB-CE1 4.16Å; A625-F636 HydrophobicContact CB-CE2 3.56Å; A625-F636 HydrophobicContact CB-CZ 3.64Å; A625-R649 PolarHBondContact O-NH2 3.11Å
626I94.7Very high92.4Very high24 Ų2430.4 Ų30.412%0.12316%0.155CC..THydrogen-bonded Turntrans52.955.2-170.2-49.8174.2000108.3R622 V623 C624 W632 Q734 K1026 L1030R622-I626 PolarHBondContact O-N 3.17Å; R622-I626 VanDerWaalsContact O-N 3.11Å; V623-I626 WeakPolarHBondContact O-CG1 3.32Å; V623-I626 PolarHBondContact O-N 3.31Å; C624-I626 PolarHBondContact O-N 2.88Å; I626-W632 VanDerWaalsContact O-CZ3 3.24Å; I626-W632 WeakPolarHBondContact O-CZ3 3.36Å; I626-Q734 HydrophobicContact CD1-CG 4.3Å; I626-Q734 HydrophobicContact CG2-CG 4.28Å; I626-K1026 HydrophobicContact CD1-CB 4.19Å; I626-K1026 HydrophobicContact CD1-CD 3.89Å; I626-L1030 HydrophobicContact CG2-CD2 4.07Å
627Y94.8Very high92.4Very high21 Ų2132.7 Ų32.78%0.08217%0.167CC..  trans-124.4132.4-171.1177.1-93.6000111.7V611 R622 A625 E629 W632 G635 F636 Y1027V611-Y627 HydrophobicContact CB-CD1 4.38Å; V611-Y627 HydrophobicContact CG1-CD1 4.02Å; V611-Y627 HydrophobicContact CG2-CD1 4.47Å; R622-Y627 WeakPolarHBondContact CG-O 3.12Å; R622-Y627 PolarHBondContact O-N 3.34Å; A625-Y627 VanDerWaalsContact C-N 3.32Å; Y627-E629 HydrophobicContact CE1-CB 4.17Å; Y627-W632 HydrophobicContact CD2-CB 4.18Å; Y627-W632 AromaticContact CD2-CE3 3.95Å; Y627-W632 HydrophobicContact CD2-CE3 3.95Å; Y627-W632 HydrophobicContact CE2-CB 3.59Å; Y627-W632 HydrophobicContact CE2-CE3 4.46Å; Y627-W632 WeakPolarHBondContact CE2-O 3.43Å; Y627-W632 PolarHBondContact OH-O 3.01Å; Y627-G635 WeakPolarHBondContact OH-CA 3.46Å; Y627-F636 HydrophobicContact CD1-CB 4.32Å; Y627-F636 HydrophobicContact CD2-CB 3.7Å; Y627-F636 HydrophobicContact CD2-CD2 4.05Å; Y627-F636 HydrophobicContact CD2-CG 4.3Å; Y627-F636 HydrophobicContact CE1-CB 4.39Å; Y627-F636 HydrophobicContact CE2-CB 3.78Å; Y627-F636 HydrophobicContact CG-CB 3.98Å; Y627-F636 HydrophobicContact CG-CD2 4.25Å; Y627-F636 HydrophobicContact CG-CG 4.4Å; Y627-Y1027 WeakPolarHBondContact O-CE2 3.48Å
628L93.1Very high92.5Very high13 Ų1332.4 Ų32.47%0.06816%0.164CC..  trans-131.5126.7172.9-171.763000107.3E630 I631 W632 L1030 V1031 Y1034L628-E630 WeakPolarHBondContact CD1-OE2 3.39Å; L628-E630 HydrophobicContact CG-CB 4.45Å; L628-E630 VanDerWaalsContact CG-OE2 3.27Å; L628-E630 WeakPolarHBondContact CG-OE2 3.45Å; L628-E630 PolarHBondContact O-N 2.89Å; L628-I631 HydrophobicContact CB-CD1 4.03Å; L628-I631 HydrophobicContact CB-CG1 4.1Å; L628-I631 HydrophobicContact CD2-CD1 3.94Å; L628-I631 HydrophobicContact CD2-CG1 4.04Å; L628-I631 HydrophobicContact CG-CG1 4.35Å; L628-I631 PolarHBondContact O-N 3.13Å; L628-I631 VanDerWaalsContact O-N 3.12Å; L628-W632 PolarHBondContact O-N 2.59Å; L628-W632 VanDerWaalsContact O-N 3.15Å; L628-L1030 HydrophobicContact CB-CD2 4.07Å; L628-V1031 HydrophobicContact CD1-CG2 4.37Å; L628-V1031 HydrophobicContact CD2-CG2 4.2Å; L628-Y1034 HydrophobicContact CD2-CD1 4.05Å; L628-Y1034 HydrophobicContact CD2-CD2 4.42Å; L628-Y1034 HydrophobicContact CD2-CG 3.86Å
629E91.1Very high92.3Very high126 Ų12635.7 Ų35.759%0.58918%0.183SC*.THydrogen-bonded Turntrans-65.5-33.2-172.4-172.9-176.5145.800111.3Y627 I631 W632 P633Y627-E629 HydrophobicContact CE1-CB 4.17Å; E629-I631 PolarHBondContact O-N 3.47Å; E629-W632 CarbonylContact O-C 3.58Å; E629-W632 VanDerWaalsContact O-C 3.27Å; E629-W632 PolarHBondContact O-N 3.3Å; E629-P633 VanDerWaalsContact O-CA 3.27Å; E629-P633 WeakPolarHBondContact O-CA 3.24Å
630E87.3Confident92.3Very high76 Ų7637.1 Ų37.136%0.35519%0.19SC..THydrogen-bonded Turntrans-66.6-18.4177.8-54.195.6122.700113.5L628 Y1034L628-E630 WeakPolarHBondContact CD1-OE2 3.39Å; L628-E630 HydrophobicContact CG-CB 4.45Å; L628-E630 VanDerWaalsContact CG-OE2 3.27Å; L628-E630 WeakPolarHBondContact CG-OE2 3.45Å; L628-E630 PolarHBondContact O-N 2.89Å; E630-Y1034 HydrophobicContact CB-CE1 4.08Å; E630-Y1034 HydrophobicContact CB-CE2 3.77Å; E630-Y1034 VanDerWaalsContact CB-CZ 3.49Å; E630-Y1034 WeakPolarHBondContact CB-OH 3.25Å
631I88.2Confident92.2Very high19 Ų1936.2 Ų36.210%0.09719%0.186CC..THydrogen-bonded Turntrans-93.9-40.7172.9-57.1-179.3000111.1L628 E629 P633 F654 L1030 Y1034L628-I631 HydrophobicContact CB-CD1 4.03Å; L628-I631 HydrophobicContact CB-CG1 4.1Å; L628-I631 HydrophobicContact CD2-CD1 3.94Å; L628-I631 HydrophobicContact CD2-CG1 4.04Å; L628-I631 HydrophobicContact CG-CG1 4.35Å; L628-I631 PolarHBondContact O-N 3.13Å; L628-I631 VanDerWaalsContact O-N 3.12Å; E629-I631 PolarHBondContact O-N 3.47Å; I631-P633 WeakPolarHBondContact O-CD 3.31Å; I631-F654 HydrophobicContact CB-CD2 4.24Å; I631-F654 HydrophobicContact CB-CE2 4.34Å; I631-F654 HydrophobicContact CD1-CD2 4.06Å; I631-F654 HydrophobicContact CG1-CD2 3.68Å; I631-F654 HydrophobicContact CG1-CE2 4.04Å; I631-F654 HydrophobicContact CG2-CD2 3.89Å; I631-F654 HydrophobicContact CG2-CE2 4.16Å; I631-L1030 HydrophobicContact CD1-CD1 3.66Å; I631-L1030 HydrophobicContact CD1-CD2 4.15Å; I631-L1030 HydrophobicContact CD1-CG 3.77Å; I631-Y1034 HydrophobicContact CD1-CD2 4.29Å; I631-Y1034 HydrophobicContact CG1-CD2 3.69Å; I631-Y1034 HydrophobicContact CG1-CE2 4.34Å; I631-Y1034 HydrophobicContact CG1-CG 4.37Å
632W90.6Very high92Very high26 Ų2637.7 Ų37.710%0.09819%0.194CC..  trans-127.571-174.5-63.3-70.8000111.2I626 Y627 L628 E629 D634 G635 V650 N652 L1030I626-W632 VanDerWaalsContact O-CZ3 3.24Å; I626-W632 WeakPolarHBondContact O-CZ3 3.36Å; Y627-W632 HydrophobicContact CD2-CB 4.18Å; Y627-W632 AromaticContact CD2-CE3 3.95Å; Y627-W632 HydrophobicContact CD2-CE3 3.95Å; Y627-W632 HydrophobicContact CE2-CB 3.59Å; Y627-W632 HydrophobicContact CE2-CE3 4.46Å; Y627-W632 WeakPolarHBondContact CE2-O 3.43Å; Y627-W632 PolarHBondContact OH-O 3.01Å; L628-W632 PolarHBondContact O-N 2.59Å; L628-W632 VanDerWaalsContact O-N 3.15Å; E629-W632 CarbonylContact O-C 3.58Å; E629-W632 VanDerWaalsContact O-C 3.27Å; E629-W632 PolarHBondContact O-N 3.3Å; W632-D634 PolarHBondContact O-N 3.3Å; W632-G635 PolarHBondContact O-N 2.99Å; W632-G635 VanDerWaalsContact O-N 3.17Å; W632-V650 PolarHBondContact NE1-O 3.22Å; W632-N652 HydrophobicContact CZ2-CB 4.02Å; W632-L1030 HydrophobicContact CH2-CD1 4.06Å; W632-L1030 HydrophobicContact CH2-CD2 4.41Å; W632-L1030 HydrophobicContact CZ3-CD1 4.36Å; W632-L1030 HydrophobicContact CZ3-CD2 3.97Å
633P86.1Confident91.8Very high46 Ų4639.6 Ų39.630%0.29921%0.214SC..THydrogen-bonded Turntrans-67.7-18.1-173.428.7-37.2000113.3E629 I631 G635 K1062E629-P633 VanDerWaalsContact O-CA 3.27Å; E629-P633 WeakPolarHBondContact O-CA 3.24Å; I631-P633 WeakPolarHBondContact O-CD 3.31Å; P633-G635 PolarHBondContact O-N 2.84Å; P633-K1062 HydrophobicContact CB-CD 4.16Å; P633-K1062 HydrophobicContact CG-CB 4.32Å; P633-K1062 HydrophobicContact CG-CD 4Å
634D85.2Confident91.5Very high75 Ų7544 Ų4440%0.40124%0.237SC..THydrogen-bonded Turntrans-71.8-6.1176.4-54.5-87.3000113.6K614 W632 Q1063K614-D634 WeakPolarHBondContact CD-O 3.47Å; K614-D634 WeakPolarHBondContact CE-O 3.49Å; K614-D634 PolarHBondContact NZ-O 2.76Å; W632-D634 PolarHBondContact O-N 3.3Å; D634-Q1063 PolarHBondContact OD1-NE2 3.32Å; D634-Q1063 PolarHBondContact OD2-NE2 3.4Å
635G88.7Confident91.3Very high27 Ų2748.9 Ų48.928%0.27825%0.252SS..  trans104.6162.3176.400000114.4Y627 W632 P633Y627-G635 WeakPolarHBondContact OH-CA 3.46Å; W632-G635 PolarHBondContact O-N 2.99Å; W632-G635 VanDerWaalsContact O-N 3.17Å; P633-G635 PolarHBondContact O-N 2.84Å
636F94.4Very high91Very high7 Ų751.7 Ų51.73%0.03128%0.281CS..  trans-76136.8178.8170.8-120.1000112.1V611 C613 K614 W620 A625 Y627 C638V611-F636 HydrophobicContact CG2-CD1 3.92Å; V611-F636 HydrophobicContact CG2-CE1 4.36Å; V611-F636 HydrophobicContact CG2-CG 4.18Å; C613-F636 CarbonylContact C-O 3Å; C613-F636 WeakPolarHBondContact CA-O 3.47Å; C613-F636 HydrophobicContact CB-CD1 4.15Å; C613-F636 HydrophobicContact CB-CE1 4.07Å; K614-F636 WeakPolarHBondContact CB-O 3.41Å; K614-F636 PolarHBondContact N-O 3.08Å; W620-F636 HydrophobicContact CB-CE1 3.72Å; W620-F636 HydrophobicContact CB-CZ 4.18Å; W620-F636 AromaticContact CD2-CE1 3.93Å; W620-F636 HydrophobicContact CD2-CE1 3.93Å; W620-F636 AromaticContact CD2-CZ 3.73Å; W620-F636 HydrophobicContact CD2-CZ 3.73Å; W620-F636 HydrophobicContact CE3-CE1 4.25Å; W620-F636 AromaticContact CE3-CZ 3.61Å; W620-F636 HydrophobicContact CE3-CZ 3.61Å; W620-F636 AromaticContact CG-CE1 3.67Å; W620-F636 HydrophobicContact CG-CE1 3.67Å; W620-F636 AromaticContact CG-CZ 3.97Å; W620-F636 HydrophobicContact CG-CZ 3.97Å; W620-F636 HydrophobicContact CZ3-CZ 4.38Å; A625-F636 HydrophobicContact CB-CD2 4.02Å; A625-F636 HydrophobicContact CB-CE1 4.16Å; A625-F636 HydrophobicContact CB-CE2 3.56Å; A625-F636 HydrophobicContact CB-CZ 3.64Å; Y627-F636 HydrophobicContact CD1-CB 4.32Å; Y627-F636 HydrophobicContact CD2-CB 3.7Å; Y627-F636 HydrophobicContact CD2-CD2 4.05Å; Y627-F636 HydrophobicContact CD2-CG 4.3Å; Y627-F636 HydrophobicContact CE1-CB 4.39Å; Y627-F636 HydrophobicContact CE2-CB 3.78Å; Y627-F636 HydrophobicContact CG-CB 3.98Å; Y627-F636 HydrophobicContact CG-CD2 4.25Å; Y627-F636 HydrophobicContact CG-CG 4.4Å; F636-C638 HydrophobicContact CE1-CB 3.77Å; F636-C638 HydrophobicContact CE2-CB 4.48Å; F636-C638 VanDerWaalsContact CZ-CA 3.46Å; F636-C638 HydrophobicContact CZ-CB 3.56Å
637I93.7Very high90.8Very high50 Ų5053.1 Ų53.126%0.25629%0.288SS..  trans-123.1127.4167.7-52.3177.3000107.8C641 I642 L647I637-C641 HydrophobicContact CG2-CB 3.67Å; I637-I642 HydrophobicContact CG2-CG1 4.1Å; I637-L647 HydrophobicContact CG2-CD1 4.07Å
638C94.3Very high90.2Very high0 Ų061.6 Ų61.60%033%0.326CS..  trans-82.4158.7-175.776.90000113.4C613 W620 F636 H640 C641 I642C613-C638 HydrophobicContact CB-CB 3.96Å; C613-C638 PolarHBondContact SG-N 3.27Å; C613-C638 PolarHBondContact SG-SG 2.74Å; W620-C638 HydrophobicContact CD2-CB 3.94Å; W620-C638 VanDerWaalsContact CE2-CB 3.49Å; W620-C638 HydrophobicContact CE3-CB 4.39Å; W620-C638 HydrophobicContact CH2-CB 4.19Å; W620-C638 HydrophobicContact CZ2-CB 3.66Å; F636-C638 HydrophobicContact CE1-CB 3.77Å; F636-C638 HydrophobicContact CE2-CB 4.48Å; F636-C638 VanDerWaalsContact CZ-CA 3.46Å; F636-C638 HydrophobicContact CZ-CB 3.56Å; C638-H640 PolarHBondContact O-N 2.66Å; C638-C641 WeakPolarHBondContact O-CB 3.46Å; C638-C641 PolarHBondContact O-N 3.43Å; C638-I642 PolarHBondContact O-N 2.87Å
639N90.6Very high89.7Confident81 Ų8166.1 Ų66.143%0.43334%0.342SS..Hα-helixtrans-58.8-34.5-177.2-65.21.2000112.8W620 C641 I642 V643W620-N639 HydrophobicContact CH2-CB 4.23Å; N639-C641 VanDerWaalsContact C-N 3.32Å; N639-C641 PolarHBondContact O-N 3.49Å; N639-I642 PolarHBondContact O-N 3.2Å; N639-V643 WeakPolarHBondContact O-CG2 3.49Å; N639-V643 PolarHBondContact O-N 3.42Å
640H91.6Very high89.4Confident57 Ų5764.7 Ų64.726%0.26434%0.341SS..Hα-helixtrans-64.1-34.4176-174.390.3000112.2R618 C638 N644R618-H640 PolarHBondContact NH2-NE2 2.54Å; C638-H640 PolarHBondContact O-N 2.66Å; H640-N644 PolarHBondContact CE1-ND2 3.41Å; H640-N644 PolarHBondContact NE2-ND2 3Å; H640-N644 VanDerWaalsContact NE2-ND2 3.2Å; H640-N644 VanDerWaalsContact O-CB 3.23Å; H640-N644 WeakPolarHBondContact O-CB 3.14Å; H640-N644 PolarHBondContact O-N 3.39Å; H640-N644 PolarHBondContact O-OD1 2.93Å
641C94Very high89.3Confident0 Ų067.4 Ų67.40%035%0.354CS..Hα-helixtrans-73.2-41.6171.5-71.30000112.9C613 H615 C616 I637 C638 N639 V643 Y645 L647C613-C641 VanDerWaalsContact SG-SG 3.65Å; H615-C641 HydrophobicContact CB-CB 4.15Å; H615-C641 VanDerWaalsContact CB-SG 3.59Å; C616-C641 WeakPolarHBondContact CB-SG 3.26Å; C616-C641 PolarHBondContact SG-SG 2.77Å; I637-C641 HydrophobicContact CG2-CB 3.67Å; C638-C641 WeakPolarHBondContact O-CB 3.46Å; C638-C641 PolarHBondContact O-N 3.43Å; N639-C641 VanDerWaalsContact C-N 3.32Å; N639-C641 PolarHBondContact O-N 3.49Å; C641-V643 VanDerWaalsContact C-N 3.28Å; C641-V643 PolarHBondContact O-N 3.48Å; C641-Y645 HydrophobicContact CB-CD2 4.08Å; C641-Y645 WeakPolarHBondContact O-CB 3.37Å; C641-Y645 PolarHBondContact O-N 3.36Å; C641-L647 HydrophobicContact CB-CD1 4.34Å
642I91.4Very high89.4Confident34 Ų3467.4 Ų67.417%0.17436%0.355CS..Hα-helixtrans-57-45178.7-74.1164.7000110.3I637 C638 N639 G646 L647 R649I637-I642 HydrophobicContact CG2-CG1 4.1Å; C638-I642 PolarHBondContact O-N 2.87Å; N639-I642 PolarHBondContact O-N 3.2Å; I642-G646 CarbonylContact O-C 3.55Å; I642-G646 WeakPolarHBondContact O-CA 3.37Å; I642-G646 PolarHBondContact O-N 3.36Å; I642-L647 WeakPolarHBondContact CG2-O 3.4Å; I642-L647 PolarHBondContact O-N 2.85Å; I642-L647 VanDerWaalsContact O-N 3.15Å; I642-R649 HydrophobicContact CD1-CB 4.02Å; I642-R649 HydrophobicContact CD1-CG 3.86Å
643V91Very high89.1Confident114 Ų11470.7 Ų70.769%0.69137%0.367SS*.Hα-helixtrans-71.1-58.3175.41760000111.6N639 C641 Y645 G646N639-V643 WeakPolarHBondContact O-CG2 3.49Å; N639-V643 PolarHBondContact O-N 3.42Å; C641-V643 VanDerWaalsContact C-N 3.28Å; C641-V643 PolarHBondContact O-N 3.48Å; V643-Y645 VanDerWaalsContact C-N 3.33Å; V643-Y645 PolarHBondContact O-N 3.01Å; V643-G646 PolarHBondContact O-N 3.26Å
644N90.8Very high89.4Confident94 Ų9470.4 Ų70.450%0.50336%0.361SS..Hα-helixtrans-67.8-28.8-168-64.311.8000114.3H640H640-N644 PolarHBondContact CE1-ND2 3.41Å; H640-N644 PolarHBondContact NE2-ND2 3Å; H640-N644 VanDerWaalsContact NE2-ND2 3.2Å; H640-N644 VanDerWaalsContact O-CB 3.23Å; H640-N644 WeakPolarHBondContact O-CB 3.14Å; H640-N644 PolarHBondContact O-N 3.39Å; H640-N644 PolarHBondContact O-OD1 2.93Å
645Y90.7Very high89.8Confident135 Ų13567.7 Ų67.753%0.52935%0.347SS..THydrogen-bonded Turntrans-109.39.8-179.2-56.6-71.8000112.9C641 V643 L647C641-Y645 HydrophobicContact CB-CD2 4.08Å; C641-Y645 WeakPolarHBondContact O-CB 3.37Å; C641-Y645 PolarHBondContact O-N 3.36Å; V643-Y645 VanDerWaalsContact C-N 3.33Å; V643-Y645 PolarHBondContact O-N 3.01Å; Y645-L647 PolarHBondContact O-N 3.36Å; Y645-L647 VanDerWaalsContact O-N 3.12Å
646G89.4Confident90.2Very high61 Ų6166.4 Ų66.463%0.62933%0.334SS*.  trans62.417.8178.700000115.4I642 V643I642-G646 CarbonylContact O-C 3.55Å; I642-G646 WeakPolarHBondContact O-CA 3.37Å; I642-G646 PolarHBondContact O-N 3.36Å; V643-G646 PolarHBondContact O-N 3.26Å
647L89Confident90.1Very high53 Ų5371.1 Ų71.128%0.27736%0.355SS..PPolyproline II helixtrans-70.7142.5-175.5-54.8169.4000110.6I637 C641 I642 Y645I637-L647 HydrophobicContact CG2-CD1 4.07Å; C641-L647 HydrophobicContact CB-CD1 4.34Å; I642-L647 WeakPolarHBondContact CG2-O 3.4Å; I642-L647 PolarHBondContact O-N 2.85Å; I642-L647 VanDerWaalsContact O-N 3.15Å; Y645-L647 PolarHBondContact O-N 3.36Å; Y645-L647 VanDerWaalsContact O-N 3.12Å
648K83.5Confident90Very high200 Ų20073.3 Ų73.387%0.8736%0.362SS*.PPolyproline II helixtrans-90.3133174.2-67.2-177.7179.9177.60110.7
649R82.9Confident89.8Confident108 Ų10874.4 Ų74.441%0.40837%0.368SS..PPolyproline II helixtrans-71.8132173.4-154.1173.5-159.9-158.9-1.3109.2A625 I642 E651A625-R649 PolarHBondContact O-NH2 3.11Å; I642-R649 HydrophobicContact CD1-CB 4.02Å; I642-R649 HydrophobicContact CD1-CG 3.86Å; R649-E651 PolarHBondContact O-N 3.37Å
650V84Confident89.5Confident95 Ų9575.8 Ų75.858%0.57638%0.379SS*.PPolyproline II helixtrans-65.1125.3176.9177.50000109.4W632W632-V650 PolarHBondContact NE1-O 3.22Å
651E85.9Confident89.6Confident134 Ų13476.2 Ų76.263%0.62639%0.386SS*.PPolyproline II helixtrans-61.9133.8-174.5-165.2-158.6142.500112.3R649 R653 K658R649-E651 PolarHBondContact O-N 3.37Å; E651-R653 PolarHBondContact O-N 3.11Å; E651-K658 IonicContact OE1-NZ 3.71Å; E651-K658 PolarHBondContact OE1-NZ 3.19Å
652N89.7Confident89.6Confident19 Ų1976.7 Ų76.710%0.10239%0.389CS..PPolyproline II helixtrans-68.2128.5170.9-177.321000110.7W632 F654 T655 K658W632-N652 HydrophobicContact CZ2-CB 4.02Å; N652-F654 PolarHBondContact ND2-O 2.9Å; N652-F654 PolarHBondContact OD1-N 3.35Å; N652-T655 HydrophobicContact CB-CG2 4.2Å; N652-K658 PolarHBondContact O-NZ 3.05Å
653R84.6Confident89.9Confident95 Ų9581 Ų8136%0.35841%0.407SS..SBendtrans-96.6-18.6175.3-58.6-172.9-172.5167.36.5113.4E651 T655 K658 Q1063E651-R653 PolarHBondContact O-N 3.11Å; R653-T655 PolarHBondContact O-N 3.47Å; R653-K658 WeakPolarHBondContact O-CD 3.46Å; R653-Q1063 PolarHBondContact NH1-O 2.96Å; R653-Q1063 PolarHBondContact NH2-O 3.38Å
654F91.4Very high90.2Very high39 Ų3975.6 Ų75.617%0.17137%0.374CS..SBendtrans-93.371.8179.5-50.7-76.9000109.1I631 N652 L1033 Y1034 H1037I631-F654 HydrophobicContact CB-CD2 4.24Å; I631-F654 HydrophobicContact CB-CE2 4.34Å; I631-F654 HydrophobicContact CD1-CD2 4.06Å; I631-F654 HydrophobicContact CG1-CD2 3.68Å; I631-F654 HydrophobicContact CG1-CE2 4.04Å; I631-F654 HydrophobicContact CG2-CD2 3.89Å; I631-F654 HydrophobicContact CG2-CE2 4.16Å; N652-F654 PolarHBondContact ND2-O 2.9Å; N652-F654 PolarHBondContact OD1-N 3.35Å; F654-L1033 WeakPolarHBondContact O-CB 3.37Å; F654-Y1034 HydrophobicContact CD1-CD2 4.17Å; F654-Y1034 AromaticContact CD2-CD2 3.92Å; F654-Y1034 HydrophobicContact CD2-CD2 3.92Å; F654-Y1034 HydrophobicContact CE1-CD2 4.24Å; F654-Y1034 HydrophobicContact CE1-CE2 4.38Å; F654-Y1034 HydrophobicContact CE2-CD2 4Å; F654-Y1034 HydrophobicContact CE2-CE2 4.19Å; F654-Y1034 AromaticContact CG-CD2 4Å; F654-Y1034 HydrophobicContact CG-CD2 4Å; F654-Y1034 HydrophobicContact CZ-CD2 4.16Å; F654-Y1034 HydrophobicContact CZ-CE2 4.08Å; F654-H1037 HydrophobicContact CD1-CB 3.62Å; F654-H1037 AromaticContact CD1-CG 3.97Å; F654-H1037 HydrophobicContact CE1-CB 4.3Å
655T94.8Very high90.6Very high19 Ų1971.1 Ų71.112%0.11735%0.35CS..  trans-115.6154.7-177.961.40000112N652 R653 K657 K658 L659 E735 H1037N652-T655 HydrophobicContact CB-CG2 4.2Å; R653-T655 PolarHBondContact O-N 3.47Å; T655-K657 VanDerWaalsContact C-N 3.3Å; T655-K657 PolarHBondContact O-N 2.9Å; T655-K658 PolarHBondContact O-N 3.41Å; T655-K658 VanDerWaalsContact O-N 3.14Å; T655-K658 VanDerWaalsContact OG1-CD 3.32Å; T655-K658 WeakPolarHBondContact OG1-CD 3.28Å; T655-K658 VanDerWaalsContact OG1-CG 3.3Å; T655-K658 WeakPolarHBondContact OG1-CG 3.18Å; T655-K658 PolarHBondContact OG1-N 3.13Å; T655-L659 PolarHBondContact O-N 2.96Å; T655-E735 WeakPolarHBondContact CA-OE2 3.35Å; T655-E735 WeakPolarHBondContact CB-OE2 3.4Å; T655-H1037 PolarHBondContact O-NE2 3.33Å
656A95.9Very high91Very high0 Ų067.9 Ų67.90%034%0.342CS..SBendtrans-62-39174.100000111K658 L659 I687 R689 F728 E735 L1033A656-K658 PolarHBondContact O-N 3.17Å; A656-L659 PolarHBondContact O-N 2.77Å; A656-L659 VanDerWaalsContact O-N 3.13Å; A656-I687 HydrophobicContact CB-CD1 4.47Å; A656-I687 HydrophobicContact CB-CG2 4.14Å; A656-R689 PolarHBondContact O-NE 3.38Å; A656-R689 VanDerWaalsContact O-NE 3.08Å; A656-F728 HydrophobicContact CB-CB 4.05Å; A656-F728 HydrophobicContact CB-CD1 3.75Å; A656-F728 HydrophobicContact CB-CD2 3.77Å; A656-F728 HydrophobicContact CB-CE1 4.06Å; A656-F728 HydrophobicContact CB-CE2 4.11Å; A656-F728 HydrophobicContact CB-CG 3.6Å; A656-F728 HydrophobicContact CB-CZ 4.24Å; A656-E735 PolarHBondContact N-OE1 3.49Å; A656-E735 PolarHBondContact N-OE2 2.82Å; A656-L1033 HydrophobicContact CB-CD1 4.26Å; A656-L1033 HydrophobicContact CB-CD2 3.92Å
657K93.7Very high91.4Very high106 Ų10668 Ų6846%0.46133%0.325SS..THydrogen-bonded Turntrans-51.7-40.3172-72.3172.3-175.71780112.4T655 I687 R689 E730 E735T655-K657 VanDerWaalsContact C-N 3.3Å; T655-K657 PolarHBondContact O-N 2.9Å; K657-I687 HydrophobicContact CD-CD1 4.37Å; K657-I687 HydrophobicContact CG-CD1 3.76Å; K657-I687 HydrophobicContact CG-CG1 3.86Å; K657-I687 HydrophobicContact CG-CG2 4.49Å; K657-R689 PolarHBondContact O-NH2 2.82Å; K657-E730 IonicContact NZ-OE2 2.71Å; K657-E730 PolarHBondContact NZ-OE2 3.05Å; K657-E735 WeakPolarHBondContact CG-OE1 3.48Å; K657-E735 PolarHBondContact N-OE1 3.46Å; K657-E735 VanDerWaalsContact N-OE1 3.13Å
658K91Very high91.9Very high95 Ų9565.6 Ų65.641%0.41331%0.313SS..THydrogen-bonded Turntrans-86.6-4.8-177.2-68.1169.4-172.7166.50114.6E651 N652 R653 T655 A656E651-K658 IonicContact OE1-NZ 3.71Å; E651-K658 PolarHBondContact OE1-NZ 3.19Å; N652-K658 PolarHBondContact O-NZ 3.05Å; R653-K658 WeakPolarHBondContact O-CD 3.46Å; T655-K658 PolarHBondContact O-N 3.41Å; T655-K658 VanDerWaalsContact O-N 3.14Å; T655-K658 VanDerWaalsContact OG1-CD 3.32Å; T655-K658 WeakPolarHBondContact OG1-CD 3.28Å; T655-K658 VanDerWaalsContact OG1-CG 3.3Å; T655-K658 WeakPolarHBondContact OG1-CG 3.18Å; T655-K658 PolarHBondContact OG1-N 3.13Å; A656-K658 PolarHBondContact O-N 3.17Å
659L90Very high92.6Very high23 Ų2358.2 Ų58.212%0.1228%0.281CS..SBendtrans-71.4150.4170.8-72.5175.2000111.4T655 A656 R689 L691 L1033 L1036 H1037T655-L659 PolarHBondContact O-N 2.96Å; A656-L659 PolarHBondContact O-N 2.77Å; A656-L659 VanDerWaalsContact O-N 3.13Å; L659-R689 HydrophobicContact CB-CG 4.09Å; L659-R689 PolarHBondContact O-NE 3.3Å; L659-L691 HydrophobicContact CD1-CD2 3.69Å; L659-L1033 HydrophobicContact CD1-CD2 3.63Å; L659-L1033 HydrophobicContact CG-CD2 4.41Å; L659-L1036 HydrophobicContact CD1-CD1 4.32Å; L659-L1036 HydrophobicContact CD2-CB 4.27Å; L659-H1037 WeakPolarHBondContact CD2-NE2 3.43Å
660T84.8Confident93.3Very high110 Ų11059.1 Ų59.168%0.67529%0.288SS*.PPolyproline II helixtrans-53.6136.5179-47.40000112.3R689T660-R689 WeakPolarHBondContact O-CD 3.33Å
661T93Very high94Very high66 Ų6656.5 Ų56.541%0.40527%0.268SS..PPolyproline II helixtrans-103.3159176.951.50000112.4N666 R689T661-N666 VanDerWaalsContact CB-OD1 3.28Å; T661-N666 WeakPolarHBondContact CB-OD1 3.4Å; T661-N666 WeakPolarHBondContact CG2-OD1 3.4Å; T661-R689 VanDerWaalsContact CG2-CZ 3.41Å
662C93.6Very high94.6Very high10 Ų1050.1 Ų50.17%0.06824%0.238CC..  trans-139.7174.6174.375.20000110L664 S665 N666 V690 D994C662-L664 PolarHBondContact O-N 2.93Å; C662-S665 PolarHBondContact N-OG 3.31Å; C662-S665 PolarHBondContact O-N 3.4Å; C662-S665 PolarHBondContact O-OG 3.43Å; C662-S665 PolarHBondContact SG-N 2.87Å; C662-N666 WeakPolarHBondContact O-CB 3.26Å; C662-N666 PolarHBondContact O-N 3.16Å; C662-N666 PolarHBondContact O-ND2 2.98Å; C662-N666 PolarHBondContact O-OD1 3.49Å; C662-V690 VanDerWaalsContact SG-CG2 3.55Å; C662-D994 HydrophobicContact CB-CB 4.07Å; C662-D994 VanDerWaalsContact CB-CG 3.47Å; C662-D994 WeakPolarHBondContact CB-OD2 3.34Å; C662-D994 PolarHBondContact SG-OD2 2.77Å
663K98.1Very high95Very high125 Ų12549.7 Ų49.754%0.54324%0.236SC..Hα-helixtrans-67.6-37.3-177.5-59.8-172.2-164.81770111.7F667 Y789 P993 D994K663-F667 WeakPolarHBondContact O-CB 3.29Å; K663-F667 PolarHBondContact O-N 3.28Å; K663-Y789 WeakPolarHBondContact CB-OH 3.47Å; K663-P993 HydrophobicContact CB-CG 4.42Å; K663-P993 HydrophobicContact CD-CB 3.85Å; K663-P993 HydrophobicContact CD-CG 3.84Å; K663-D994 WeakPolarHBondContact CA-OD1 2.82Å; K663-D994 VanDerWaalsContact CB-OD1 3.24Å; K663-D994 WeakPolarHBondContact CB-OD1 3.18Å; K663-D994 WeakPolarHBondContact CG-OD1 3.45Å; K663-D994 PolarHBondContact N-OD1 3.2Å; K663-D994 PolarHBondContact N-OD2 2.87Å
664L98.5Very high95.6Very high0 Ų048.9 Ų48.90%024%0.239CC..Hα-helixtrans-61.3-48.8172.1174.157.7000111.3C662 N666 F667 L668 V690 K723 I725 Y786 Y789 D994C662-L664 PolarHBondContact O-N 2.93Å; L664-N666 VanDerWaalsContact C-N 3.33Å; L664-N666 PolarHBondContact O-N 3.42Å; L664-F667 PolarHBondContact O-N 3.42Å; L664-L668 HydrophobicContact CD1-CD1 3.85Å; L664-L668 HydrophobicContact CD1-CD2 4.47Å; L664-L668 HydrophobicContact CD1-CG 3.96Å; L664-L668 HydrophobicContact CG-CD1 4.26Å; L664-L668 WeakPolarHBondContact O-CG 3.4Å; L664-L668 PolarHBondContact O-N 3.38Å; L664-V690 HydrophobicContact CB-CG2 4.39Å; L664-V690 HydrophobicContact CD2-CG2 4.02Å; L664-V690 HydrophobicContact CG-CG2 4.14Å; L664-K723 HydrophobicContact CD2-CD 4.01Å; L664-I725 HydrophobicContact CD2-CD1 3.93Å; L664-Y786 HydrophobicContact CD1-CD2 4.15Å; L664-Y786 HydrophobicContact CD2-CD2 4.44Å; L664-Y786 HydrophobicContact CD2-CE2 4.41Å; L664-Y789 HydrophobicContact CB-CD1 4.25Å; L664-Y789 HydrophobicContact CB-CE1 3.86Å; L664-Y789 HydrophobicContact CB-CE2 4.46Å; L664-Y789 HydrophobicContact CD1-CD1 3.63Å; L664-Y789 HydrophobicContact CD1-CD2 4.26Å; L664-Y789 HydrophobicContact CD1-CE1 4.14Å; L664-Y789 HydrophobicContact CD1-CG 3.68Å; L664-Y789 HydrophobicContact CG-CD1 4.4Å; L664-Y789 HydrophobicContact CG-CE1 4.47Å; L664-D994 VanDerWaalsContact CB-OD2 3.32Å; L664-D994 WeakPolarHBondContact CB-OD2 3.46Å; L664-D994 PolarHBondContact N-OD2 3.06Å
665S97.8Very high95.9Very high0 Ų048.2 Ų48.20%024%0.236CC..Hα-helixtrans-59.8-45.9-179.874.20000111.4C662 F667 L668 E669 I688C662-S665 PolarHBondContact N-OG 3.31Å; C662-S665 PolarHBondContact O-N 3.4Å; C662-S665 PolarHBondContact O-OG 3.43Å; C662-S665 PolarHBondContact SG-N 2.87Å; S665-F667 PolarHBondContact O-N 3.05Å; S665-L668 PolarHBondContact O-N 3.01Å; S665-E669 VanDerWaalsContact O-CB 3.25Å; S665-E669 WeakPolarHBondContact O-CB 3.44Å; S665-E669 PolarHBondContact O-N 3.1Å; S665-I688 WeakPolarHBondContact CB-O 3.1Å
666N98.5Very high96Very high68 Ų6847.4 Ų47.436%0.36423%0.231SC..Hα-helixtrans-71.1-32.7-177.1-62.5-7.9000112.3T661 C662 L664 K670T661-N666 VanDerWaalsContact CB-OD1 3.28Å; T661-N666 WeakPolarHBondContact CB-OD1 3.4Å; T661-N666 WeakPolarHBondContact CG2-OD1 3.4Å; C662-N666 WeakPolarHBondContact O-CB 3.26Å; C662-N666 PolarHBondContact O-N 3.16Å; C662-N666 PolarHBondContact O-ND2 2.98Å; C662-N666 PolarHBondContact O-OD1 3.49Å; L664-N666 VanDerWaalsContact C-N 3.33Å; L664-N666 PolarHBondContact O-N 3.42Å; N666-K670 VanDerWaalsContact O-CB 3.27Å; N666-K670 WeakPolarHBondContact O-CB 3.25Å; N666-K670 PolarHBondContact O-N 2.92Å
667F98.8Very high96Very high64 Ų6453.6 Ų53.628%0.28126%0.257SS..Hα-helixtrans-65.8-45174-179-92.7000111.7K663 L664 S665 R671 G785 H788 Y789 L792K663-F667 WeakPolarHBondContact O-CB 3.29Å; K663-F667 PolarHBondContact O-N 3.28Å; L664-F667 PolarHBondContact O-N 3.42Å; S665-F667 PolarHBondContact O-N 3.05Å; F667-R671 WeakPolarHBondContact O-CB 3.43Å; F667-R671 PolarHBondContact O-N 3.3Å; F667-G785 WeakPolarHBondContact CE1-O 3.45Å; F667-H788 HydrophobicContact CE1-CB 4.41Å; F667-H788 HydrophobicContact CZ-CB 4.45Å; F667-H788 AromaticContact CZ-ND1 3.79Å; F667-Y789 HydrophobicContact CB-CD2 3.91Å; F667-Y789 HydrophobicContact CB-CE2 4.12Å; F667-Y789 AromaticContact CD1-CD2 3.73Å; F667-Y789 HydrophobicContact CD1-CD2 3.73Å; F667-Y789 HydrophobicContact CD1-CG 4.34Å; F667-Y789 HydrophobicContact CD2-CD2 4.18Å; F667-Y789 HydrophobicContact CE1-CD2 4.24Å; F667-Y789 AromaticContact CG-CD2 3.69Å; F667-Y789 HydrophobicContact CG-CD2 3.69Å; F667-Y789 HydrophobicContact CG-CE2 4.3Å; F667-L792 HydrophobicContact CE2-CD1 4.12Å; F667-L792 HydrophobicContact CZ-CD1 4.05Å
668L98.7Very high96.1Very high2 Ų257.3 Ų57.31%0.0127%0.274CS..Hα-helixtrans-67-46.2175.8-63.8178.4000111.5L664 S665 K670 R671 V672 I688 I725 G785L664-L668 HydrophobicContact CD1-CD1 3.85Å; L664-L668 HydrophobicContact CD1-CD2 4.47Å; L664-L668 HydrophobicContact CD1-CG 3.96Å; L664-L668 HydrophobicContact CG-CD1 4.26Å; L664-L668 WeakPolarHBondContact O-CG 3.4Å; L664-L668 PolarHBondContact O-N 3.38Å; S665-L668 PolarHBondContact O-N 3.01Å; L668-K670 PolarHBondContact O-N 3.29Å; L668-R671 PolarHBondContact O-N 3.29Å; L668-V672 WeakPolarHBondContact O-CG2 3.36Å; L668-V672 PolarHBondContact O-N 3.39Å; L668-I688 HydrophobicContact CB-CD1 3.84Å; L668-I688 HydrophobicContact CB-CG2 4.01Å; L668-I688 HydrophobicContact CD1-CG2 4.19Å; L668-I725 HydrophobicContact CD1-CD1 4.48Å; L668-I725 HydrophobicContact CD1-CG2 3.8Å; L668-G785 VanDerWaalsContact CD2-C 3.41Å
669E98.5Very high96.3Very high45 Ų4556.6 Ų56.621%0.2127%0.271CS..Hα-helixtrans-58-48179.5-168.3168.4103.500110.8S665 V672 N673 V686 I687 I688 R689S665-E669 VanDerWaalsContact O-CB 3.25Å; S665-E669 WeakPolarHBondContact O-CB 3.44Å; S665-E669 PolarHBondContact O-N 3.1Å; E669-V672 PolarHBondContact O-N 2.85Å; E669-N673 WeakPolarHBondContact O-CB 3.18Å; E669-N673 PolarHBondContact O-N 3.31Å; E669-N673 PolarHBondContact O-ND2 2.95Å; E669-V686 WeakPolarHBondContact CG-O 3.37Å; E669-I687 WeakPolarHBondContact OE2-CA 3.47Å; E669-I688 HydrophobicContact CB-CB 4.19Å; E669-I688 PolarHBondContact OE2-N 2.93Å; E669-R689 IonicContact OE1-NH1 3.74Å; E669-R689 IonicContact OE2-CZ 3.97Å; E669-R689 IonicContact OE2-NH1 3.23Å; E669-R689 PolarHBondContact OE2-NH1 3.09Å
670K98.5Very high96.5Very high126 Ų12664.3 Ų64.355%0.54831%0.306SS..Hα-helixtrans-59.6-48.8174.3-167.3-169.1-173-44.40111.7N666 L668 V672 N673 D674N666-K670 VanDerWaalsContact O-CB 3.27Å; N666-K670 WeakPolarHBondContact O-CB 3.25Å; N666-K670 PolarHBondContact O-N 2.92Å; L668-K670 PolarHBondContact O-N 3.29Å; K670-V672 PolarHBondContact O-N 3.4Å; K670-N673 PolarHBondContact O-N 3.03Å; K670-D674 IonicContact NZ-OD1 3.11Å; K670-D674 PolarHBondContact NZ-OD1 2.89Å; K670-D674 IonicContact NZ-OD2 3.72Å; K670-D674 PolarHBondContact NZ-OD2 3.39Å; K670-D674 VanDerWaalsContact O-CB 3.23Å; K670-D674 WeakPolarHBondContact O-CB 3.42Å; K670-D674 PolarHBondContact O-N 3.18Å
671R98.3Very high96.6Very high40 Ų4059.8 Ų59.815%0.15128%0.28CS..Hα-helixtrans-60-44.4-178-178.3178.4172.4105.45.8112.3F667 L668 F675 E781 E842F667-R671 WeakPolarHBondContact O-CB 3.43Å; F667-R671 PolarHBondContact O-N 3.3Å; L668-R671 PolarHBondContact O-N 3.29Å; R671-F675 WeakPolarHBondContact O-CB 3.36Å; R671-F675 PolarHBondContact O-N 3.4Å; R671-F675 VanDerWaalsContact O-N 3.11Å; R671-E781 IonicContact CZ-OE2 2.76Å; R671-E781 IonicContact NE-OE2 2.92Å; R671-E781 PolarHBondContact NE-OE2 3.42Å; R671-E781 IonicContact NH2-OE2 2.6Å; R671-E781 PolarHBondContact NH2-OE2 3.49Å; R671-E842 IonicContact CZ-OE2 3.39Å; R671-E842 VanDerWaalsContact CZ-OE2 3.29Å; R671-E842 IonicContact NH1-OE2 3.52Å; R671-E842 PolarHBondContact NH1-OE2 3.25Å; R671-E842 VanDerWaalsContact NH2-CD 3.28Å; R671-E842 IonicContact NH2-OE1 3.78Å; R671-E842 PolarHBondContact NH2-OE1 2.71Å; R671-E842 IonicContact NH2-OE2 3.52Å; R671-E842 PolarHBondContact NH2-OE2 3Å
672V98.3Very high96.4Very high0 Ų064 Ų640%030%0.3CS..Hα-helixtrans-68.4-42.7-179171.10000111.2L668 E669 K670 F675 L676 V686 I688 I778 E781 L782L668-V672 WeakPolarHBondContact O-CG2 3.36Å; L668-V672 PolarHBondContact O-N 3.39Å; E669-V672 PolarHBondContact O-N 2.85Å; K670-V672 PolarHBondContact O-N 3.4Å; V672-F675 WeakPolarHBondContact O-CB 2.9Å; V672-F675 PolarHBondContact O-N 2.7Å; V672-L676 HydrophobicContact CG1-CD1 4.23Å; V672-L676 WeakPolarHBondContact O-CG 3.36Å; V672-L676 PolarHBondContact O-N 2.91Å; V672-V686 HydrophobicContact CG1-CB 3.93Å; V672-V686 HydrophobicContact CG1-CG1 4.07Å; V672-V686 HydrophobicContact CG1-CG2 4.17Å; V672-I688 HydrophobicContact CB-CD1 4.19Å; V672-I688 HydrophobicContact CG2-CD1 3.85Å; V672-I778 HydrophobicContact CG1-CD1 3.89Å; V672-I778 HydrophobicContact CG1-CG2 3.91Å; V672-E781 HydrophobicContact CG2-CB 4.1Å; V672-L782 HydrophobicContact CG2-CD2 4.24Å; V672-L782 HydrophobicContact CG2-CG 4.1Å
673N98Very high96.2Very high11 Ų1164 Ų646%0.05930%0.3CS..Hα-helixtrans-75.5-35-179.4-66.7-29.3000112.8E669 K670 F675 L676 K677 D685 V686E669-N673 WeakPolarHBondContact O-CB 3.18Å; E669-N673 PolarHBondContact O-N 3.31Å; E669-N673 PolarHBondContact O-ND2 2.95Å; K670-N673 PolarHBondContact O-N 3.03Å; N673-F675 VanDerWaalsContact C-N 3.29Å; N673-F675 PolarHBondContact O-N 2.92Å; N673-L676 PolarHBondContact O-N 3.45Å; N673-K677 VanDerWaalsContact O-CB 3.32Å; N673-K677 WeakPolarHBondContact O-CB 3.28Å; N673-K677 WeakPolarHBondContact O-CD 3.4Å; N673-K677 VanDerWaalsContact O-CG 3.29Å; N673-K677 WeakPolarHBondContact O-CG 3.48Å; N673-K677 PolarHBondContact O-N 2.64Å; N673-D685 WeakPolarHBondContact CB-OD1 3.41Å; N673-D685 VanDerWaalsContact CG-OD1 3.24Å; N673-D685 PolarHBondContact ND2-OD1 3.14Å; N673-V686 PolarHBondContact ND2-O 3.09Å; N673-V686 PolarHBondContact OD1-N 3.03Å; N673-V686 PolarHBondContact OD1-O 2.94Å
674D97.8Very high95.8Very high78 Ų7860.5 Ų60.542%0.41730%0.3SS..Hα-helixtrans-58.6-41.8168.8-73.5-10.9000110.8K670 K678K670-D674 IonicContact NZ-OD1 3.11Å; K670-D674 PolarHBondContact NZ-OD1 2.89Å; K670-D674 IonicContact NZ-OD2 3.72Å; K670-D674 PolarHBondContact NZ-OD2 3.39Å; K670-D674 VanDerWaalsContact O-CB 3.23Å; K670-D674 WeakPolarHBondContact O-CB 3.42Å; K670-D674 PolarHBondContact O-N 3.18Å; D674-K678 VanDerWaalsContact O-CB 3.24Å; D674-K678 WeakPolarHBondContact O-CB 3.26Å; D674-K678 PolarHBondContact O-N 3.06Å
675F97.4Very high95.4Very high24 Ų2464.4 Ų64.411%0.10532%0.321CS..Hα-helixtrans-64.5-47.7175.8169.7-88.4000112R671 V672 N673 K677 K678 K679 E777 I778 E781R671-F675 WeakPolarHBondContact O-CB 3.36Å; R671-F675 PolarHBondContact O-N 3.4Å; R671-F675 VanDerWaalsContact O-N 3.11Å; V672-F675 WeakPolarHBondContact O-CB 2.9Å; V672-F675 PolarHBondContact O-N 2.7Å; N673-F675 VanDerWaalsContact C-N 3.29Å; N673-F675 PolarHBondContact O-N 2.92Å; F675-K677 VanDerWaalsContact C-N 3.35Å; F675-K677 PolarHBondContact O-N 3.24Å; F675-K678 PolarHBondContact O-N 3.07Å; F675-K679 HydrophobicContact CD1-CG 4.3Å; F675-K679 HydrophobicContact CD2-CG 4.37Å; F675-K679 HydrophobicContact CE1-CG 3.83Å; F675-K679 HydrophobicContact CE2-CD 4.42Å; F675-K679 HydrophobicContact CE2-CG 3.92Å; F675-K679 HydrophobicContact CZ-CD 4.29Å; F675-K679 HydrophobicContact CZ-CG 3.62Å; F675-K679 WeakPolarHBondContact O-CB 3.4Å; F675-K679 WeakPolarHBondContact O-CG 3.48Å; F675-K679 PolarHBondContact O-N 3.44Å; F675-E777 HydrophobicContact CE1-CB 3.98Å; F675-E777 HydrophobicContact CE2-CB 4.46Å; F675-E777 HydrophobicContact CZ-CB 3.55Å; F675-E777 HydrophobicContact CZ-CG 4.25Å; F675-I778 HydrophobicContact CD1-CD1 3.68Å; F675-I778 HydrophobicContact CE1-CD1 3.89Å; F675-E781 HydrophobicContact CB-CG 4.03Å; F675-E781 HydrophobicContact CD1-CG 4.06Å; F675-E781 HydrophobicContact CD2-CG 3.84Å; F675-E781 WeakPolarHBondContact CD2-OE1 3.39Å; F675-E781 HydrophobicContact CE2-CG 4.31Å; F675-E781 WeakPolarHBondContact CE2-OE1 3.47Å; F675-E781 HydrophobicContact CG-CG 3.7Å
676L96.5Very high95.4Very high3 Ų364.4 Ų64.42%0.01632%0.321CS..Hα-helixtrans-59.6-45.8178.2-76167.8000111.5V672 N673 K678 K679 E680 A681 A683 V686 F769 I778V672-L676 HydrophobicContact CG1-CD1 4.23Å; V672-L676 WeakPolarHBondContact O-CG 3.36Å; V672-L676 PolarHBondContact O-N 2.91Å; N673-L676 PolarHBondContact O-N 3.45Å; L676-K678 PolarHBondContact O-N 2.95Å; L676-K679 CarbonylContact O-C 3.51Å; L676-K679 PolarHBondContact O-N 3.06Å; L676-K679 VanDerWaalsContact O-N 3.11Å; L676-E680 PolarHBondContact O-N 3.08Å; L676-E680 VanDerWaalsContact O-N 3.16Å; L676-A681 HydrophobicContact CB-CB 4.25Å; L676-A681 HydrophobicContact CD2-CB 3.52Å; L676-A681 WeakPolarHBondContact O-CB 3.35Å; L676-A681 PolarHBondContact O-N 3.22Å; L676-A683 HydrophobicContact CD1-CB 4.24Å; L676-A683 HydrophobicContact CD2-CB 3.94Å; L676-V686 HydrophobicContact CD1-CB 4.46Å; L676-V686 HydrophobicContact CD1-CG2 3.65Å; L676-F769 HydrophobicContact CD2-CZ 4.14Å; L676-I778 HydrophobicContact CD1-CD1 4.03Å; L676-I778 HydrophobicContact CD2-CD1 3.55Å; L676-I778 HydrophobicContact CD2-CG1 4.29Å; L676-I778 HydrophobicContact CG-CD1 3.6Å
677K96.5Very high95.4Very high129 Ų12961.5 Ų61.556%0.56131%0.305SS*.Hα-helixtrans-62.8-41.5177-73.1161177.2162.40111.4N673 F675 K679 E680 D685N673-K677 VanDerWaalsContact O-CB 3.32Å; N673-K677 WeakPolarHBondContact O-CB 3.28Å; N673-K677 WeakPolarHBondContact O-CD 3.4Å; N673-K677 VanDerWaalsContact O-CG 3.29Å; N673-K677 WeakPolarHBondContact O-CG 3.48Å; N673-K677 PolarHBondContact O-N 2.64Å; F675-K677 VanDerWaalsContact C-N 3.35Å; F675-K677 PolarHBondContact O-N 3.24Å; K677-K679 VanDerWaalsContact C-N 3.29Å; K677-K679 PolarHBondContact O-N 3.48Å; K677-E680 PolarHBondContact O-N 2.88Å; K677-D685 WeakPolarHBondContact CE-OD1 3.38Å; K677-D685 VanDerWaalsContact NZ-CG 3.31Å; K677-D685 IonicContact NZ-OD1 2.73Å; K677-D685 PolarHBondContact NZ-OD1 2.66Å; K677-D685 IonicContact NZ-OD2 3.78Å; K677-D685 PolarHBondContact NZ-OD2 3.34Å
678K96.3Very high95.4Very high185 Ų18558.4 Ų58.480%0.80429%0.292SS*.Hα-helixtrans-67.6-22.7173.4-178.7172.9178.5178.80114.3D674 F675 L676D674-K678 VanDerWaalsContact O-CB 3.24Å; D674-K678 WeakPolarHBondContact O-CB 3.26Å; D674-K678 PolarHBondContact O-N 3.06Å; F675-K678 PolarHBondContact O-N 3.07Å; L676-K678 PolarHBondContact O-N 2.95Å
679K94.9Very high95.4Very high80 Ų8059 Ų5935%0.34829%0.294SS..THydrogen-bonded Turntrans-92.41.7174.8-73.3-60-165.688.20113.4F675 L676 K677 A681 F774 E777F675-K679 HydrophobicContact CD1-CG 4.3Å; F675-K679 HydrophobicContact CD2-CG 4.37Å; F675-K679 HydrophobicContact CE1-CG 3.83Å; F675-K679 HydrophobicContact CE2-CD 4.42Å; F675-K679 HydrophobicContact CE2-CG 3.92Å; F675-K679 HydrophobicContact CZ-CD 4.29Å; F675-K679 HydrophobicContact CZ-CG 3.62Å; F675-K679 WeakPolarHBondContact O-CB 3.4Å; F675-K679 WeakPolarHBondContact O-CG 3.48Å; F675-K679 PolarHBondContact O-N 3.44Å; L676-K679 CarbonylContact O-C 3.51Å; L676-K679 PolarHBondContact O-N 3.06Å; L676-K679 VanDerWaalsContact O-N 3.11Å; K677-K679 VanDerWaalsContact C-N 3.29Å; K677-K679 PolarHBondContact O-N 3.48Å; K679-A681 HydrophobicContact CB-CB 4.31Å; K679-A681 PolarHBondContact O-N 3.39Å; K679-F774 HydrophobicContact CB-CE1 4.07Å; K679-F774 HydrophobicContact CB-CZ 4.06Å; K679-F774 HydrophobicContact CD-CE1 4.37Å; K679-F774 HydrophobicContact CG-CE1 4.21Å; K679-E777 IonicContact NZ-OE1 3.04Å; K679-E777 PolarHBondContact NZ-OE1 3.48Å; K679-E777 IonicContact NZ-OE2 3.29Å; K679-E777 PolarHBondContact NZ-OE2 2.62Å
680E92.9Very high95.3Very high185 Ų18557.1 Ų57.186%0.86429%0.285SS*.THydrogen-bonded Turntrans5136.9-172.8-63.5174.8-177.500111.7L676 K677 D682L676-E680 PolarHBondContact O-N 3.08Å; L676-E680 VanDerWaalsContact O-N 3.16Å; K677-E680 PolarHBondContact O-N 2.88Å; E680-D682 PolarHBondContact O-N 2.74Å
681A88.1Confident95.2Very high14 Ų1451.6 Ų51.612%0.11626%0.262CS..  trans-81.3110.4-174.900000111L676 K679 A683 F774L676-A681 HydrophobicContact CB-CB 4.25Å; L676-A681 HydrophobicContact CD2-CB 3.52Å; L676-A681 WeakPolarHBondContact O-CB 3.35Å; L676-A681 PolarHBondContact O-N 3.22Å; K679-A681 HydrophobicContact CB-CB 4.31Å; K679-A681 PolarHBondContact O-N 3.39Å; A681-A683 PolarHBondContact O-N 2.87Å; A681-F774 HydrophobicContact CB-CD2 3.51Å; A681-F774 HydrophobicContact CB-CE2 3.39Å; A681-F774 HydrophobicContact CB-CG 4.45Å; A681-F774 HydrophobicContact CB-CZ 4.25Å
682D88.5Confident94.9Very high155 Ų15549.7 Ų49.783%0.82926%0.255SS*.  trans-69.181170-173.927.4000110.9E680 P771E680-D682 PolarHBondContact O-N 2.74Å; D682-P771 WeakPolarHBondContact O-CD 3.37Å
683A88.7Confident94.6Very high10 Ų1049.9 Ų49.98%0.08326%0.256CS..SBendtrans-130-9.6-174.700000113L676 A681 Q729 F769 R770L676-A683 HydrophobicContact CD1-CB 4.24Å; L676-A683 HydrophobicContact CD2-CB 3.94Å; A681-A683 PolarHBondContact O-N 2.87Å; A683-Q729 PolarHBondContact O-NE2 2.98Å; A683-F769 HydrophobicContact CB-CZ 4.21Å; A683-R770 WeakPolarHBondContact CB-O 3.37Å
684G89.5Confident94.2Very high52 Ų5250 Ų5054%0.53626%0.258SS..  trans64.1-172.1-161.800000112.9
685D91.8Very high94Very high82 Ų8250.7 Ų50.744%0.43926%0.262SS..PPolyproline II helixtrans-81.5128.9171.4-80.1-56.5000110.9N673 K677N673-D685 WeakPolarHBondContact CB-OD1 3.41Å; N673-D685 VanDerWaalsContact CG-OD1 3.24Å; N673-D685 PolarHBondContact ND2-OD1 3.14Å; K677-D685 WeakPolarHBondContact CE-OD1 3.38Å; K677-D685 VanDerWaalsContact NZ-CG 3.31Å; K677-D685 IonicContact NZ-OD1 2.73Å; K677-D685 PolarHBondContact NZ-OD1 2.66Å; K677-D685 IonicContact NZ-OD2 3.78Å; K677-D685 PolarHBondContact NZ-OD2 3.34Å
686V97.8Very high93.8Very high0 Ų052.2 Ų52.20%027%0.269CS..EExtended strand (participates in β ladder)trans-78.3136167.7172.50000108.9E669 V672 N673 L676 I688 A727 F738 F769E669-V686 WeakPolarHBondContact CG-O 3.37Å; V672-V686 HydrophobicContact CG1-CB 3.93Å; V672-V686 HydrophobicContact CG1-CG1 4.07Å; V672-V686 HydrophobicContact CG1-CG2 4.17Å; N673-V686 PolarHBondContact ND2-O 3.09Å; N673-V686 PolarHBondContact OD1-N 3.03Å; N673-V686 PolarHBondContact OD1-O 2.94Å; L676-V686 HydrophobicContact CD1-CB 4.46Å; L676-V686 HydrophobicContact CD1-CG2 3.65Å; V686-I688 HydrophobicContact CG1-CD1 4.46Å; V686-I688 HydrophobicContact CG1-CG1 4.13Å; V686-A727 HydrophobicContact CG1-CB 4.24Å; V686-F738 HydrophobicContact CG1-CE1 4Å; V686-F738 HydrophobicContact CG1-CZ 3.9Å; V686-F738 HydrophobicContact CG2-CZ 4.41Å; V686-F769 HydrophobicContact CG2-CE2 3.73Å
687I98.5Very high93.8Very high6 Ų655.9 Ų55.93%0.03129%0.291CS..EExtended strand (participates in β ladder)trans-103.3134.1179.8-49.4136.6000108A656 K657 E669 R689 A727 F728 E735A656-I687 HydrophobicContact CB-CD1 4.47Å; A656-I687 HydrophobicContact CB-CG2 4.14Å; K657-I687 HydrophobicContact CD-CD1 4.37Å; K657-I687 HydrophobicContact CG-CD1 3.76Å; K657-I687 HydrophobicContact CG-CG1 3.86Å; K657-I687 HydrophobicContact CG-CG2 4.49Å; E669-I687 WeakPolarHBondContact OE2-CA 3.47Å; I687-R689 HydrophobicContact CG2-CG 4.49Å; I687-A727 CarbonylContact O-C 3.5Å; I687-A727 WeakPolarHBondContact O-CA 3.29Å; I687-F728 HydrophobicContact CB-CB 4.27Å; I687-F728 HydrophobicContact CD1-CB 4.26Å; I687-F728 PolarHBondContact N-O 3.19Å; I687-F728 PolarHBondContact O-N 3.18Å; I687-E735 HydrophobicContact CD1-CG 4.13Å; I687-E735 WeakPolarHBondContact CD1-OE1 3.47Å
688I98.6Very high93.7Very high0 Ų049.9 Ų49.90%027%0.266CS..EExtended strand (participates in β ladder)trans-126.8132.1179.4-60.9175.5000109.7S665 L668 E669 V672 V686 I725 F726 A727 L782S665-I688 WeakPolarHBondContact CB-O 3.1Å; L668-I688 HydrophobicContact CB-CD1 3.84Å; L668-I688 HydrophobicContact CB-CG2 4.01Å; L668-I688 HydrophobicContact CD1-CG2 4.19Å; E669-I688 HydrophobicContact CB-CB 4.19Å; E669-I688 PolarHBondContact OE2-N 2.93Å; V672-I688 HydrophobicContact CB-CD1 4.19Å; V672-I688 HydrophobicContact CG2-CD1 3.85Å; V686-I688 HydrophobicContact CG1-CD1 4.46Å; V686-I688 HydrophobicContact CG1-CG1 4.13Å; I688-I725 HydrophobicContact CG2-CG2 4.04Å; I688-F726 WeakPolarHBondContact CA-O 3.14Å; I688-A727 HydrophobicContact CG1-CB 4.02Å; I688-L782 HydrophobicContact CD1-CD2 3.42Å; I688-L782 VanDerWaalsContact CD1-CD2 3.42Å; I688-L782 HydrophobicContact CG1-CD2 4.28Å
689R97.6Very high93.7Very high13 Ų1348 Ų485%0.04926%0.26CS..EExtended strand (participates in β ladder)trans-134.9143.4179.9-64.7-68.9177.7-851.4110.6A656 K657 L659 T660 T661 E669 I687 L691 F726 F728A656-R689 PolarHBondContact O-NE 3.38Å; A656-R689 VanDerWaalsContact O-NE 3.08Å; K657-R689 PolarHBondContact O-NH2 2.82Å; L659-R689 HydrophobicContact CB-CG 4.09Å; L659-R689 PolarHBondContact O-NE 3.3Å; T660-R689 WeakPolarHBondContact O-CD 3.33Å; T661-R689 VanDerWaalsContact CG2-CZ 3.41Å; E669-R689 IonicContact OE1-NH1 3.74Å; E669-R689 IonicContact OE2-CZ 3.97Å; E669-R689 IonicContact OE2-NH1 3.23Å; E669-R689 PolarHBondContact OE2-NH1 3.09Å; I687-R689 HydrophobicContact CG2-CG 4.49Å; R689-L691 HydrophobicContact CB-CD2 3.73Å; R689-F726 PolarHBondContact N-O 3.01Å; R689-F726 PolarHBondContact O-N 2.8Å; R689-F728 HydrophobicContact CB-CE2 4.47Å
690V97.3Very high93.7Very high6 Ų644.7 Ų44.74%0.03625%0.246CC..EExtended strand (participates in β ladder)trans-92.4113.4165.8-178.90000106.2C662 L664 A692 A693 K723 A724 I725 I997C662-V690 VanDerWaalsContact SG-CG2 3.55Å; L664-V690 HydrophobicContact CB-CG2 4.39Å; L664-V690 HydrophobicContact CD2-CG2 4.02Å; L664-V690 HydrophobicContact CG-CG2 4.14Å; V690-A692 VanDerWaalsContact CG1-O 3.31Å; V690-A692 WeakPolarHBondContact CG1-O 3.15Å; V690-A693 HydrophobicContact CG1-CB 4.37Å; V690-K723 HydrophobicContact CG1-CB 4.44Å; V690-A724 CarbonylContact C-O 3.59Å; V690-A724 WeakPolarHBondContact CA-O 3.36Å; V690-I725 HydrophobicContact CG2-CG1 4.37Å; V690-I997 HydrophobicContact CB-CD1 4.21Å; V690-I997 HydrophobicContact CG1-CD1 4.17Å; V690-I997 WeakPolarHBondContact O-CD1 3.48Å
691L94.9Very high93.8Very high11 Ų1139.4 Ų39.46%0.05822%0.22CC..EExtended strand (participates in β ladder)trans-93.1-26.1-172.4-56.5-173000112.9L659 R689 A724 F726 F728 I997 S999 M1002 L1036L659-L691 HydrophobicContact CD1-CD2 3.69Å; R689-L691 HydrophobicContact CB-CD2 3.73Å; L691-A724 PolarHBondContact N-O 3.25Å; L691-F726 HydrophobicContact CB-CD2 4.29Å; L691-F726 HydrophobicContact CD1-CB 4.01Å; L691-F726 HydrophobicContact CD1-CD2 3.37Å; L691-F726 HydrophobicContact CD1-CE2 3.88Å; L691-F726 HydrophobicContact CD1-CG 3.77Å; L691-F726 HydrophobicContact CG-CB 4.36Å; L691-F726 HydrophobicContact CG-CD2 3.77Å; L691-F726 HydrophobicContact CG-CE2 4.47Å; L691-F726 HydrophobicContact CG-CG 4.38Å; L691-F728 HydrophobicContact CD1-CZ 4.46Å; L691-I997 WeakPolarHBondContact O-CG2 3.47Å; L691-S999 VanDerWaalsContact O-CB 3.22Å; L691-S999 WeakPolarHBondContact O-CB 3.36Å; L691-M1002 HydrophobicContact CB-CB 4.04Å; L691-M1002 HydrophobicContact CB-CG 3.9Å; L691-M1002 HydrophobicContact CD1-CE 4.22Å; L691-M1002 HydrophobicContact CD1-CG 4.1Å; L691-M1002 HydrophobicContact CD1-SD 4.24Å; L691-L1036 HydrophobicContact CB-CD2 4.45Å; L691-L1036 HydrophobicContact CD1-CD1 3.74Å; L691-L1036 HydrophobicContact CD1-CD2 4.36Å; L691-L1036 HydrophobicContact CD2-CD1 4.28Å
692A92.8Very high94Very high0 Ų043.2 Ų43.20%025%0.246CC..EExtended strand (participates in β ladder)trans-137.4144.1170.700000110.1V690 K723 A724 I997 M1002 E1003V690-A692 VanDerWaalsContact CG1-O 3.31Å; V690-A692 WeakPolarHBondContact CG1-O 3.15Å; A692-K723 CarbonylContact O-C 3.55Å; A692-K723 VanDerWaalsContact O-CA 3.29Å; A692-K723 WeakPolarHBondContact O-CA 3.21Å; A692-A724 HydrophobicContact CB-CB 3.9Å; A692-A724 PolarHBondContact O-N 3.1Å; A692-I997 CarbonylContact C-O 3.39Å; A692-I997 WeakPolarHBondContact CA-O 3.31Å; A692-M1002 HydrophobicContact CB-CB 4.01Å; A692-E1003 HydrophobicContact CB-CB 4.42Å
693A92.5Very high94Very high3 Ų336.5 Ų36.53%0.02521%0.214CC..EExtended strand (participates in β ladder)trans-149.4102.5170.200000107.9V690 V722 K723 L996 I997V690-A693 HydrophobicContact CG1-CB 4.37Å; A693-V722 CarbonylContact C-O 3.51Å; A693-V722 VanDerWaalsContact CA-O 3.28Å; A693-V722 WeakPolarHBondContact CA-O 3.32Å; A693-K723 HydrophobicContact CB-CG 4.02Å; A693-L996 CarbonylContact O-C 3.53Å; A693-L996 VanDerWaalsContact O-CA 3.24Å; A693-L996 WeakPolarHBondContact O-CA 3.27Å; A693-L996 WeakPolarHBondContact O-CB 3.33Å; A693-L996 WeakPolarHBondContact O-CD2 3.42Å; A693-I997 HydrophobicContact CB-CB 4.07Å; A693-I997 HydrophobicContact CB-CG1 4.21Å; A693-I997 PolarHBondContact N-O 3.16Å; A693-I997 PolarHBondContact O-N 2.89Å
694A88.9Confident94.2Very high13 Ų1336 Ų3611%0.10721%0.21CC..EExtended strand (participates in β ladder)trans-137.2145.8-171.200000111.9R721 V722 E1003A694-R721 CarbonylContact O-C 3.49Å; A694-R721 WeakPolarHBondContact O-CA 3.09Å; A694-V722 HydrophobicContact CB-CG1 3.95Å; A694-V722 PolarHBondContact N-O 3.26Å; A694-V722 WeakPolarHBondContact O-CG1 3.35Å; A694-V722 PolarHBondContact O-N 3.01Å; A694-E1003 HydrophobicContact CB-CG 3.89Å
695D94.3Very high94.3Very high93 Ų9336.8 Ų36.850%0.49720%0.198SC..EExtended strand (participates in β ladder)trans-87.1133177.9-64.3-31000110.7R721D695-R721 IonicContact OD1-CZ 3.36Å; D695-R721 IonicContact OD1-NE 4Å; D695-R721 PolarHBondContact OD1-NE 3.48Å; D695-R721 IonicContact OD1-NH2 2.66Å; D695-R721 PolarHBondContact OD1-NH2 3.22Å; D695-R721 IonicContact OD2-NH2 2.59Å; D695-R721 PolarHBondContact OD2-NH2 3.08Å; D695-R721 VanDerWaalsContact OD2-NH2 3.11Å
696K93.4Very high94.2Very high57 Ų5736 Ų3625%0.24820%0.203CC..EExtended strand (participates in β ladder)trans-139.1170.5-173.6-72.3-163.1173.4-171.80111.7P719 Y720 V722 E1003K696-P719 WeakPolarHBondContact O-CA 3.5Å; K696-Y720 HydrophobicContact CB-CD1 4.11Å; K696-Y720 HydrophobicContact CB-CD2 4.38Å; K696-Y720 HydrophobicContact CB-CE1 3.6Å; K696-Y720 HydrophobicContact CB-CE2 3.91Å; K696-Y720 HydrophobicContact CB-CG 4.48Å; K696-Y720 VanDerWaalsContact CB-CZ 3.5Å; K696-Y720 HydrophobicContact CD-CE2 4.39Å; K696-Y720 PolarHBondContact N-O 3.09Å; K696-Y720 PolarHBondContact O-N 3.17Å; K696-Y720 VanDerWaalsContact O-O 3.11Å; K696-V722 HydrophobicContact CD-CB 4.43Å; K696-V722 HydrophobicContact CD-CG1 3.91Å; K696-V722 HydrophobicContact CG-CG1 4.25Å; K696-E1003 VanDerWaalsContact CE-CD 3.5Å; K696-E1003 WeakPolarHBondContact CE-OE1 3.5Å; K696-E1003 PolarHBondContact NZ-O 3.37Å; K696-E1003 IonicContact NZ-OE1 3.2Å; K696-E1003 PolarHBondContact NZ-OE1 3.47Å
697T95.6Very high93.7Very high79 Ų7938.6 Ų38.649%0.48521%0.213SC..EExtended strand (participates in β ladder)trans-132132.717149.70000109.3F718 P719T697-F718 WeakPolarHBondContact CA-O 3.42Å; T697-P719 HydrophobicContact CG2-CB 4.32Å
698V94.8Very high93.3Very high4 Ų438.8 Ų38.82%0.02421%0.213CC..EExtended strand (participates in β ladder)trans-86.7128161.853.10000107.4S717 F718 Y720 Y746 Y868 E870V698-S717 CarbonylContact O-C 3.23Å; V698-S717 WeakPolarHBondContact O-CA 3.37Å; V698-S717 WeakPolarHBondContact O-CB 3.42Å; V698-F718 HydrophobicContact CG1-CB 3.79Å; V698-F718 HydrophobicContact CG1-CD2 4.17Å; V698-F718 HydrophobicContact CG1-CG 4.49Å; V698-F718 PolarHBondContact N-O 2.79Å; V698-F718 PolarHBondContact O-N 3.35Å; V698-Y720 HydrophobicContact CB-CE1 4.27Å; V698-Y746 HydrophobicContact CG1-CE1 3.94Å; V698-Y746 WeakPolarHBondContact CG1-OH 3.32Å; V698-Y868 HydrophobicContact CG2-CD1 4.04Å; V698-Y868 HydrophobicContact CG2-CE1 3.98Å; V698-E870 HydrophobicContact CB-CB 4.12Å; V698-E870 HydrophobicContact CG2-CB 4.24Å
699E95.6Very high92.7Very high145 Ų14539.4 Ų39.468%0.67822%0.217SC*.EExtended strand (participates in β ladder)trans-89.8141.4175-66.3-173.3178.400110.4
700V95.4Very high92Very high10 Ų1044.1 Ų44.16%0.06124%0.244CC..PPolyproline II helixtrans-74129.3175.5177.80000109.6M704 K705 P715 E716 F718 Y868V700-M704 HydrophobicContact CG1-CB 3.34Å; V700-M704 HydrophobicContact CG1-CG 4.41Å; V700-K705 HydrophobicContact CG1-CB 4.31Å; V700-P715 VanDerWaalsContact CG2-O 3.26Å; V700-P715 WeakPolarHBondContact CG2-O 3.43Å; V700-E716 PolarHBondContact N-O 2.91Å; V700-F718 HydrophobicContact CG2-CD2 4.33Å; V700-F718 HydrophobicContact CG2-CE2 3.67Å; V700-Y868 HydrophobicContact CG2-CD1 4.39Å; V700-Y868 HydrophobicContact CG2-CE1 4.2Å
701K94.3Very high91.4Very high74 Ų7448.5 Ų48.532%0.32227%0.267SS..PPolyproline II helixtrans-70.1162.1-174.7-68.4164.7-176.7-98.40110.9G703 M704 K705 Y868 P875 N876 E879K701-G703 PolarHBondContact O-N 2.99Å; K701-M704 PolarHBondContact O-N 3.23Å; K701-K705 VanDerWaalsContact O-CB 3.29Å; K701-K705 WeakPolarHBondContact O-CB 3.43Å; K701-K705 PolarHBondContact O-N 2.91Å; K701-Y868 WeakPolarHBondContact CB-OH 3.23Å; K701-Y868 WeakPolarHBondContact CD-OH 3.49Å; K701-Y868 VanDerWaalsContact CG-OH 3.27Å; K701-Y868 WeakPolarHBondContact CG-OH 3.45Å; K701-Y868 PolarHBondContact N-OH 3.15Å; K701-P875 HydrophobicContact CD-CB 4.07Å; K701-P875 WeakPolarHBondContact CD-O 3.5Å; K701-N876 WeakPolarHBondContact CE-OD1 3.47Å; K701-N876 PolarHBondContact NZ-OD1 3.02Å; K701-E879 HydrophobicContact CB-CG 3.6Å; K701-E879 HydrophobicContact CD-CG 3.83Å; K701-E879 HydrophobicContact CG-CG 4.32Å
702S92.5Very high90.9Very high94 Ų9451 Ų5166%0.65730%0.296SS*.Hα-helixtrans-47.7-50.7-168.4260000115.8A706 E879S702-A706 WeakPolarHBondContact O-CB 3Å; S702-A706 PolarHBondContact O-N 3.09Å; S702-E879 PolarHBondContact N-OE2 2.77Å; S702-E879 VanDerWaalsContact N-OE2 3.12Å; S702-E879 PolarHBondContact OG-OE2 2.93Å
703G90Very high90.5Very high15 Ų1556.2 Ų56.216%0.15532%0.32CS..Hα-helixtrans-70.8-49.6-17800000111.9K701 K705 A706 R707 E879K701-G703 PolarHBondContact O-N 2.99Å; G703-K705 PolarHBondContact O-N 3.37Å; G703-A706 PolarHBondContact O-N 3.37Å; G703-R707 WeakPolarHBondContact O-CB 3.38Å; G703-R707 WeakPolarHBondContact O-CG 3.5Å; G703-R707 PolarHBondContact O-N 2.91Å; G703-E879 WeakPolarHBondContact CA-OE1 3.44Å; G703-E879 PolarHBondContact N-OE1 2.82Å; G703-E879 PolarHBondContact N-OE2 2.91Å
704M92Very high90.5Very high0 Ų056.4 Ų56.40%032%0.32CS..Hα-helixtrans-54.9-42.3172.7-82.2-55.7-67.700111.5V700 K701 R707 F708 M714 Y868 L878 E879 F882V700-M704 HydrophobicContact CG1-CB 3.34Å; V700-M704 HydrophobicContact CG1-CG 4.41Å; K701-M704 PolarHBondContact O-N 3.23Å; M704-R707 PolarHBondContact O-N 2.68Å; M704-F708 HydrophobicContact CE-CD2 3.53Å; M704-F708 HydrophobicContact CE-CE2 3.99Å; M704-F708 HydrophobicContact CE-CG 4.22Å; M704-F708 PolarHBondContact O-N 2.76Å; M704-F708 HydrophobicContact SD-CD2 3.79Å; M704-F708 HydrophobicContact SD-CE2 3.87Å; M704-M714 HydrophobicContact CE-CE 4.21Å; M704-M714 HydrophobicContact CE-SD 3.36Å; M704-M714 WeakPolarHBondContact CE-SD 3.44Å; M704-Y868 HydrophobicContact CG-CE2 4Å; M704-L878 HydrophobicContact CG-CB 4.2Å; M704-L878 HydrophobicContact CG-CD1 4.2Å; M704-L878 HydrophobicContact SD-CB 4.19Å; M704-L878 HydrophobicContact SD-CD1 3.87Å; M704-L878 HydrophobicContact SD-CD2 4.26Å; M704-L878 HydrophobicContact SD-CG 4.33Å; M704-E879 PolarHBondContact N-OE1 3.26Å; M704-F882 HydrophobicContact CB-CE2 4.31Å; M704-F882 HydrophobicContact CG-CE2 3.74Å; M704-F882 HydrophobicContact CG-CZ 4.31Å; M704-F882 HydrophobicContact SD-CE2 3.54Å; M704-F882 VanDerWaalsContact SD-CE2 3.54Å; M704-F882 HydrophobicContact SD-CZ 3.46Å; M704-F882 WeakPolarHBondContact SD-CZ 3.43Å
705K91.8Very high90.7Very high68 Ų6858 Ų5830%0.29633%0.33SS..Iπ-helixtrans-62.9-52.7-178.9-170.5173.6-174.4161.50112V700 K701 G703 R707 C709 D710 E716V700-K705 HydrophobicContact CG1-CB 4.31Å; K701-K705 VanDerWaalsContact O-CB 3.29Å; K701-K705 WeakPolarHBondContact O-CB 3.43Å; K701-K705 PolarHBondContact O-N 2.91Å; G703-K705 PolarHBondContact O-N 3.37Å; K705-R707 VanDerWaalsContact C-N 3.25Å; K705-R707 PolarHBondContact O-N 3.43Å; K705-C709 HydrophobicContact CB-CB 4.37Å; K705-C709 HydrophobicContact CG-CB 3.78Å; K705-C709 WeakPolarHBondContact O-CA 3.35Å; K705-C709 WeakPolarHBondContact O-CB 3.33Å; K705-C709 PolarHBondContact O-N 2.75Å; K705-D710 PolarHBondContact O-N 3.28Å; K705-E716 VanDerWaalsContact CE-OE2 3.3Å; K705-E716 WeakPolarHBondContact CE-OE2 3.45Å; K705-E716 IonicContact NZ-OE2 2.94Å; K705-E716 PolarHBondContact NZ-OE2 2.83Å
706A89.2Confident90.7Very high64 Ų6459 Ų5953%0.52933%0.331SS..Iπ-helixtrans-68.1-20.9-179.900000113.9S702 G703S702-A706 WeakPolarHBondContact O-CB 3Å; S702-A706 PolarHBondContact O-N 3.09Å; G703-A706 PolarHBondContact O-N 3.37Å
707R87.6Confident90.8Very high56 Ų5658.5 Ų58.521%0.21134%0.335CS..Iπ-helixtrans-92.5-35.2179.1-61.9-74.7-173.488.10.4113.1G703 M704 K705 N711 F882 D886G703-R707 WeakPolarHBondContact O-CB 3.38Å; G703-R707 WeakPolarHBondContact O-CG 3.5Å; G703-R707 PolarHBondContact O-N 2.91Å; M704-R707 PolarHBondContact O-N 2.68Å; K705-R707 VanDerWaalsContact C-N 3.25Å; K705-R707 PolarHBondContact O-N 3.43Å; R707-N711 PolarHBondContact O-ND2 3.02Å; R707-F882 HydrophobicContact CG-CD1 4.45Å; R707-F882 HydrophobicContact CG-CE1 4.37Å; R707-F882 VanDerWaalsContact NH1-CD1 3.26Å; R707-D886 IonicContact CZ-OD1 3.82Å; R707-D886 IonicContact NH2-OD1 3.27Å; R707-D886 PolarHBondContact NH2-OD1 3.12Å; R707-D886 IonicContact NH2-OD2 2.66Å
708F89.7Confident90.9Very high9 Ų954.7 Ų54.74%0.03931%0.312CS..Iπ-helixtrans-128.3-32.2-170.3-60.4-80.9000115.3M704 E713 M714 P863 F882M704-F708 HydrophobicContact CE-CD2 3.53Å; M704-F708 HydrophobicContact CE-CE2 3.99Å; M704-F708 HydrophobicContact CE-CG 4.22Å; M704-F708 PolarHBondContact O-N 2.76Å; M704-F708 HydrophobicContact SD-CD2 3.79Å; M704-F708 HydrophobicContact SD-CE2 3.87Å; F708-E713 HydrophobicContact CB-CB 4.42Å; F708-E713 WeakPolarHBondContact O-CB 3.48Å; F708-E713 PolarHBondContact O-N 3.11Å; F708-M714 HydrophobicContact CB-CB 4Å; F708-M714 PolarHBondContact O-N 3.45Å; F708-P863 HydrophobicContact CE2-CB 4.39Å; F708-P863 HydrophobicContact CZ-CB 4.2Å; F708-P863 HydrophobicContact CZ-CG 4.06Å; F708-F882 HydrophobicContact CE2-CE1 4.41Å; F708-F882 AromaticContact CE2-CZ 3.97Å; F708-F882 HydrophobicContact CE2-CZ 3.97Å
709C87.5Confident91.1Very high13 Ų1356.9 Ų56.99%0.08833%0.326CS..Iπ-helixtrans-76.8-41.8-178.6-62.30000112.7K705 N711 G712 M714 P715 E716K705-C709 HydrophobicContact CB-CB 4.37Å; K705-C709 HydrophobicContact CG-CB 3.78Å; K705-C709 WeakPolarHBondContact O-CA 3.35Å; K705-C709 WeakPolarHBondContact O-CB 3.33Å; K705-C709 PolarHBondContact O-N 2.75Å; C709-N711 PolarHBondContact O-N 3.3Å; C709-G712 PolarHBondContact O-N 3.03Å; C709-M714 VanDerWaalsContact CA-O 3.26Å; C709-M714 WeakPolarHBondContact CA-O 3.21Å; C709-M714 WeakPolarHBondContact CB-O 3.48Å; C709-M714 PolarHBondContact SG-O 3.37Å; C709-P715 PolarHBondContact SG-O 3.43Å; C709-E716 HydrophobicContact CB-CG 4.27Å
710D83Confident91.2Very high112 Ų11250.9 Ų50.960%0.59930%0.298SS*.THydrogen-bonded Turntrans-64.7-23.1-178.8-66.4-7000112.4K705K705-D710 PolarHBondContact O-N 3.28Å
711N82.9Confident91.2Very high98 Ų9852.9 Ų52.952%0.52430%0.304SS..THydrogen-bonded Turntrans-85.7-9.4172.3-64.8-15.8000113.7R707 C709 E713R707-N711 PolarHBondContact O-ND2 3.02Å; C709-N711 PolarHBondContact O-N 3.3Å; N711-E713 HydrophobicContact CB-CG 4.15Å; N711-E713 PolarHBondContact ND2-OE1 3.14Å
712G84.3Confident91.2Very high65 Ų6549.8 Ų49.867%0.6729%0.291SS*.THydrogen-bonded Turntrans80.29.6-174.700000115.5C709C709-G712 PolarHBondContact O-N 3.03Å
713E86Confident91.5Very high108 Ų10845.4 Ų45.451%0.50526%0.26SS..SBendtrans-76.8-22.4179-62.7173.7-132.700112.7F708 N711F708-E713 HydrophobicContact CB-CB 4.42Å; F708-E713 WeakPolarHBondContact O-CB 3.48Å; F708-E713 PolarHBondContact O-N 3.11Å; N711-E713 HydrophobicContact CB-CG 4.15Å; N711-E713 PolarHBondContact ND2-OE1 3.14Å
714M91.3Very high91.8Very high7 Ų744.7 Ų44.73%0.03425%0.253CS..SBendtrans-142.5137.8179.8-164.2174.6-163.400111.6M704 F708 C709 F718 P753 Y868M704-M714 HydrophobicContact CE-CE 4.21Å; M704-M714 HydrophobicContact CE-SD 3.36Å; M704-M714 WeakPolarHBondContact CE-SD 3.44Å; F708-M714 HydrophobicContact CB-CB 4Å; F708-M714 PolarHBondContact O-N 3.45Å; C709-M714 VanDerWaalsContact CA-O 3.26Å; C709-M714 WeakPolarHBondContact CA-O 3.21Å; C709-M714 WeakPolarHBondContact CB-O 3.48Å; C709-M714 PolarHBondContact SG-O 3.37Å; M714-F718 HydrophobicContact CE-CE2 3.87Å; M714-F718 HydrophobicContact CE-CZ 3.75Å; M714-F718 HydrophobicContact CG-CZ 4.01Å; M714-P753 HydrophobicContact CE-CG 4.24Å; M714-Y868 HydrophobicContact CE-CD2 4.1Å; M714-Y868 HydrophobicContact CE-CG 4.2Å
715P93.5Very high92.1Very high46 Ų4644.8 Ų44.830%0.29925%0.253SS..  trans-61.9147.7173.7-23.934.7000113.2V700 C709 S717 F718 P751V700-P715 VanDerWaalsContact CG2-O 3.26Å; V700-P715 WeakPolarHBondContact CG2-O 3.43Å; C709-P715 PolarHBondContact SG-O 3.43Å; P715-S717 PolarHBondContact O-N 2.86Å; P715-F718 HydrophobicContact CB-CE1 4.07Å; P715-F718 HydrophobicContact CB-CZ 4.27Å; P715-F718 HydrophobicContact CG-CE1 3.87Å; P715-F718 HydrophobicContact CG-CZ 4.27Å; P715-P751 HydrophobicContact CB-CB 4.38Å; P715-P751 HydrophobicContact CB-CG 4.44Å; P715-P751 HydrophobicContact CG-CB 3.6Å; P715-P751 HydrophobicContact CG-CG 4.12Å
716E94.1Very high92.5Very high114 Ų11441.5 Ų41.553%0.53324%0.239SC..SBendtrans-67.3-19.1178.2-62.6-175.3-143.400114.3V700 K705 C709V700-E716 PolarHBondContact N-O 2.91Å; K705-E716 VanDerWaalsContact CE-OE2 3.3Å; K705-E716 WeakPolarHBondContact CE-OE2 3.45Å; K705-E716 IonicContact NZ-OE2 2.94Å; K705-E716 PolarHBondContact NZ-OE2 2.83Å; C709-E716 HydrophobicContact CB-CG 4.27Å
717S95.9Very high92.9Very high47 Ų4738.5 Ų38.533%0.32921%0.214SC..EExtended strand (participates in β ladder)trans-159.3159.3178.758.50000112.4V698 P715V698-S717 CarbonylContact O-C 3.23Å; V698-S717 WeakPolarHBondContact O-CA 3.37Å; V698-S717 WeakPolarHBondContact O-CB 3.42Å; P715-S717 PolarHBondContact O-N 2.86Å
718F97.9Very high93.4Very high0 Ų035.8 Ų35.80%020%0.204CC..EExtended strand (participates in β ladder)trans-124.1121.3178.6-56.6-81.1000111T697 V698 V700 M714 P715 Y746 P751 L752 N754 Y868T697-F718 WeakPolarHBondContact CA-O 3.42Å; V698-F718 HydrophobicContact CG1-CB 3.79Å; V698-F718 HydrophobicContact CG1-CD2 4.17Å; V698-F718 HydrophobicContact CG1-CG 4.49Å; V698-F718 PolarHBondContact N-O 2.79Å; V698-F718 PolarHBondContact O-N 3.35Å; V700-F718 HydrophobicContact CG2-CD2 4.33Å; V700-F718 HydrophobicContact CG2-CE2 3.67Å; M714-F718 HydrophobicContact CE-CE2 3.87Å; M714-F718 HydrophobicContact CE-CZ 3.75Å; M714-F718 HydrophobicContact CG-CZ 4.01Å; P715-F718 HydrophobicContact CB-CE1 4.07Å; P715-F718 HydrophobicContact CB-CZ 4.27Å; P715-F718 HydrophobicContact CG-CE1 3.87Å; P715-F718 HydrophobicContact CG-CZ 4.27Å; F718-Y746 HydrophobicContact CB-CD1 4.15Å; F718-Y746 HydrophobicContact CB-CE1 3.88Å; F718-P751 HydrophobicContact CD1-CB 4.28Å; F718-P751 HydrophobicContact CE1-CB 4.22Å; F718-L752 WeakPolarHBondContact CE1-O 3.48Å; F718-N754 HydrophobicContact CB-CB 4.45Å; F718-N754 HydrophobicContact CD1-CB 4.13Å; F718-N754 HydrophobicContact CG-CB 4.35Å; F718-Y868 HydrophobicContact CD2-CD1 4.32Å; F718-Y868 HydrophobicContact CE2-CD1 4.3Å; F718-Y868 HydrophobicContact CE2-CG 4.37Å
719P97.8Very high93.8Very high50 Ų5035.5 Ų35.533%0.32520%0.203SC..EExtended strand (participates in β ladder)trans-76.5140.3176.931.6-34000111.5K696 T697 Y746 C750K696-P719 WeakPolarHBondContact O-CA 3.5Å; T697-P719 HydrophobicContact CG2-CB 4.32Å; P719-Y746 WeakPolarHBondContact O-CD1 3.31Å; P719-C750 HydrophobicContact CG-CB 4.32Å
720Y97.7Very high94.2Very high19 Ų1939.2 Ų39.28%0.07522%0.219CC..EExtended strand (participates in β ladder)trans-149.7159.617771-83.6000111.7K696 V698 V722 Q744 E745 Y746 E870K696-Y720 HydrophobicContact CB-CD1 4.11Å; K696-Y720 HydrophobicContact CB-CD2 4.38Å; K696-Y720 HydrophobicContact CB-CE1 3.6Å; K696-Y720 HydrophobicContact CB-CE2 3.91Å; K696-Y720 HydrophobicContact CB-CG 4.48Å; K696-Y720 VanDerWaalsContact CB-CZ 3.5Å; K696-Y720 HydrophobicContact CD-CE2 4.39Å; K696-Y720 PolarHBondContact N-O 3.09Å; K696-Y720 PolarHBondContact O-N 3.17Å; K696-Y720 VanDerWaalsContact O-O 3.11Å; V698-Y720 HydrophobicContact CB-CE1 4.27Å; Y720-V722 HydrophobicContact CE2-CB 4.08Å; Y720-Q744 HydrophobicContact CD2-CB 3.63Å; Y720-Q744 HydrophobicContact CD2-CG 3.88Å; Y720-Q744 HydrophobicContact CE2-CB 3.96Å; Y720-Q744 HydrophobicContact CE2-CG 3.64Å; Y720-Q744 HydrophobicContact CG-CB 4.38Å; Y720-E745 CarbonylContact C-O 3.56Å; Y720-E745 VanDerWaalsContact CA-O 3.3Å; Y720-E745 WeakPolarHBondContact CA-O 3.33Å; Y720-Y746 AromaticContact CD1-CE1 3.89Å; Y720-Y746 HydrophobicContact CD1-CE1 3.89Å; Y720-Y746 AromaticContact CD1-CZ 3.88Å; Y720-Y746 AromaticContact CG-CE1 3.97Å; Y720-Y746 HydrophobicContact CG-CE1 3.97Å; Y720-Y746 HydrophobicContact CG-CE2 4.27Å; Y720-Y746 AromaticContact CG-CZ 3.82Å; Y720-E870 HydrophobicContact CE1-CB 4.31Å
721R95.7Very high94.8Very high51 Ų5134.2 Ų34.219%0.19219%0.192CC..EExtended strand (participates in β ladder)trans-98.7123.3168.5-177.4163.4-67.4164.64.5109.9A694 D695 K723 E745 D992A694-R721 CarbonylContact O-C 3.49Å; A694-R721 WeakPolarHBondContact O-CA 3.09Å; D695-R721 IonicContact OD1-CZ 3.36Å; D695-R721 IonicContact OD1-NE 4Å; D695-R721 PolarHBondContact OD1-NE 3.48Å; D695-R721 IonicContact OD1-NH2 2.66Å; D695-R721 PolarHBondContact OD1-NH2 3.22Å; D695-R721 IonicContact OD2-NH2 2.59Å; D695-R721 PolarHBondContact OD2-NH2 3.08Å; D695-R721 VanDerWaalsContact OD2-NH2 3.11Å; R721-K723 HydrophobicContact CG-CG 4.24Å; R721-E745 HydrophobicContact CB-CB 4.32Å; R721-E745 PolarHBondContact N-O 2.79Å; R721-E745 PolarHBondContact O-N 2.9Å; R721-D992 WeakPolarHBondContact CD-OD2 3.18Å; R721-D992 IonicContact CZ-OD2 3.15Å; R721-D992 IonicContact NE-OD2 3.99Å; R721-D992 IonicContact NH1-OD2 3Å; R721-D992 PolarHBondContact NH1-OD2 3.2Å
722V95.9Very high95.2Very high9 Ų934.7 Ų34.76%0.05519%0.194CC..EExtended strand (participates in β ladder)trans-80.5136.3165.363.30000108.9A693 A694 K696 Y720 V743 E1003A693-V722 CarbonylContact C-O 3.51Å; A693-V722 VanDerWaalsContact CA-O 3.28Å; A693-V722 WeakPolarHBondContact CA-O 3.32Å; A694-V722 HydrophobicContact CB-CG1 3.95Å; A694-V722 PolarHBondContact N-O 3.26Å; A694-V722 WeakPolarHBondContact O-CG1 3.35Å; A694-V722 PolarHBondContact O-N 3.01Å; K696-V722 HydrophobicContact CD-CB 4.43Å; K696-V722 HydrophobicContact CD-CG1 3.91Å; K696-V722 HydrophobicContact CG-CG1 4.25Å; Y720-V722 HydrophobicContact CE2-CB 4.08Å; V722-V743 WeakPolarHBondContact CA-O 3.48Å; V722-E1003 HydrophobicContact CG1-CG 3.93Å
723K97.3Very high95.4Very high2 Ų234.5 Ų34.51%0.00919%0.193CC..EExtended strand (participates in β ladder)trans-127.4141.2166.4-68.3176.6179.5158.80110.6L664 V690 A692 A693 R721 H742 V743 E745 D992L664-K723 HydrophobicContact CD2-CD 4.01Å; V690-K723 HydrophobicContact CG1-CB 4.44Å; A692-K723 CarbonylContact O-C 3.55Å; A692-K723 VanDerWaalsContact O-CA 3.29Å; A692-K723 WeakPolarHBondContact O-CA 3.21Å; A693-K723 HydrophobicContact CB-CG 4.02Å; R721-K723 HydrophobicContact CG-CG 4.24Å; K723-H742 WeakPolarHBondContact O-CA 3.27Å; K723-V743 HydrophobicContact CB-CG2 3.77Å; K723-V743 PolarHBondContact N-O 3.41Å; K723-V743 PolarHBondContact O-N 3.3Å; K723-E745 VanDerWaalsContact CE-OE2 3.27Å; K723-E745 WeakPolarHBondContact CE-OE2 3.27Å; K723-E745 IonicContact NZ-OE1 2.8Å; K723-E745 IonicContact NZ-OE2 3.2Å; K723-E745 PolarHBondContact NZ-OE2 2.87Å; K723-D992 VanDerWaalsContact CE-OD2 3.31Å; K723-D992 WeakPolarHBondContact CE-OD2 3.27Å; K723-D992 VanDerWaalsContact NZ-CG 3.26Å; K723-D992 IonicContact NZ-OD1 2.7Å; K723-D992 PolarHBondContact NZ-OD1 3.31Å; K723-D992 IonicContact NZ-OD2 3.2Å; K723-D992 PolarHBondContact NZ-OD2 2.67Å
724A97.7Very high95.8Very high0 Ų030.3 Ų30.30%017%0.173CC..EExtended strand (participates in β ladder)trans-117.7114.517700000109.6V690 L691 A692 F726 H742 M1002V690-A724 CarbonylContact C-O 3.59Å; V690-A724 WeakPolarHBondContact CA-O 3.36Å; L691-A724 PolarHBondContact N-O 3.25Å; A692-A724 HydrophobicContact CB-CB 3.9Å; A692-A724 PolarHBondContact O-N 3.1Å; A724-F726 HydrophobicContact CB-CE2 4.1Å; A724-H742 WeakPolarHBondContact CB-NE2 3.38Å; A724-M1002 HydrophobicContact CB-CB 4.33Å; A724-M1002 WeakPolarHBondContact CB-O 3.48Å
725I98.3Very high96.1Very high2 Ų230.4 Ų30.41%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-117.1124.8-169.1-46.1175.6000108.6L664 L668 I688 V690 G740 L741 V743 Y786L664-I725 HydrophobicContact CD2-CD1 3.93Å; L668-I725 HydrophobicContact CD1-CD1 4.48Å; L668-I725 HydrophobicContact CD1-CG2 3.8Å; I688-I725 HydrophobicContact CG2-CG2 4.04Å; V690-I725 HydrophobicContact CG2-CG1 4.37Å; I725-G740 CarbonylContact O-C 3.58Å; I725-G740 WeakPolarHBondContact O-CA 3.49Å; I725-L741 HydrophobicContact CB-CB 4.36Å; I725-L741 HydrophobicContact CD1-CD2 4.24Å; I725-L741 PolarHBondContact N-O 3.28Å; I725-L741 PolarHBondContact O-N 3.01Å; I725-V743 HydrophobicContact CD1-CG2 4.39Å; I725-Y786 HydrophobicContact CD1-CD2 3.78Å; I725-Y786 HydrophobicContact CD1-CE2 4.14Å
726F98.5Very high96.3Very high0 Ų028.2 Ų28.20%016%0.159CC..EExtended strand (participates in β ladder)trans-129.1144.9-176.8-73.7-97.4000112I688 R689 L691 A724 F728 F739 I812 F813 M1002I688-F726 WeakPolarHBondContact CA-O 3.14Å; R689-F726 PolarHBondContact N-O 3.01Å; R689-F726 PolarHBondContact O-N 2.8Å; L691-F726 HydrophobicContact CB-CD2 4.29Å; L691-F726 HydrophobicContact CD1-CB 4.01Å; L691-F726 HydrophobicContact CD1-CD2 3.37Å; L691-F726 HydrophobicContact CD1-CE2 3.88Å; L691-F726 HydrophobicContact CD1-CG 3.77Å; L691-F726 HydrophobicContact CG-CB 4.36Å; L691-F726 HydrophobicContact CG-CD2 3.77Å; L691-F726 HydrophobicContact CG-CE2 4.47Å; L691-F726 HydrophobicContact CG-CG 4.38Å; A724-F726 HydrophobicContact CB-CE2 4.1Å; F726-F728 HydrophobicContact CB-CE2 3.77Å; F726-F728 HydrophobicContact CB-CZ 4.11Å; F726-F739 WeakPolarHBondContact CA-O 3.34Å; F726-I812 HydrophobicContact CE1-CG2 3.7Å; F726-I812 HydrophobicContact CZ-CG2 3.7Å; F726-F813 HydrophobicContact CD1-CZ 4.15Å; F726-F813 HydrophobicContact CE1-CE1 4.34Å; F726-F813 HydrophobicContact CE1-CZ 4.15Å; F726-M1002 HydrophobicContact CE2-SD 3.74Å; F726-M1002 HydrophobicContact CZ-SD 3.7Å
727A98.7Very high96.5Very high0 Ų022.8 Ų22.80%013%0.134CC..EExtended strand (participates in β ladder)trans-117.4139.9176.300000111.9V686 I687 I688 F738 F739 L782V686-A727 HydrophobicContact CG1-CB 4.24Å; I687-A727 CarbonylContact O-C 3.5Å; I687-A727 WeakPolarHBondContact O-CA 3.29Å; I688-A727 HydrophobicContact CG1-CB 4.02Å; A727-F738 HydrophobicContact CB-CE1 3.92Å; A727-F738 HydrophobicContact CB-CE2 4.34Å; A727-F738 HydrophobicContact CB-CZ 3.75Å; A727-F738 WeakPolarHBondContact O-CD1 3.42Å; A727-F738 PolarHBondContact O-N 2.95Å; A727-F739 HydrophobicContact CB-CB 4.19Å; A727-F739 PolarHBondContact N-O 3.26Å; A727-L782 HydrophobicContact CB-CD1 4.29Å; A727-L782 HydrophobicContact CB-CD2 4.39Å
728F98.7Very high96.6Very high0 Ų020.6 Ų20.60%012%0.119CC..EExtended strand (participates in β ladder)trans-129.7146.4-174.8-52.9-107.4000110.2A656 I687 R689 L691 F726 V736 C737 T1029 M1032 L1033A656-F728 HydrophobicContact CB-CB 4.05Å; A656-F728 HydrophobicContact CB-CD1 3.75Å; A656-F728 HydrophobicContact CB-CD2 3.77Å; A656-F728 HydrophobicContact CB-CE1 4.06Å; A656-F728 HydrophobicContact CB-CE2 4.11Å; A656-F728 HydrophobicContact CB-CG 3.6Å; A656-F728 HydrophobicContact CB-CZ 4.24Å; I687-F728 HydrophobicContact CB-CB 4.27Å; I687-F728 HydrophobicContact CD1-CB 4.26Å; I687-F728 PolarHBondContact N-O 3.19Å; I687-F728 PolarHBondContact O-N 3.18Å; R689-F728 HydrophobicContact CB-CE2 4.47Å; L691-F728 HydrophobicContact CD1-CZ 4.46Å; F726-F728 HydrophobicContact CB-CE2 3.77Å; F726-F728 HydrophobicContact CB-CZ 4.11Å; F728-V736 CarbonylContact C-O 3.44Å; F728-V736 VanDerWaalsContact CA-O 3.26Å; F728-V736 WeakPolarHBondContact CA-O 3.36Å; F728-C737 HydrophobicContact CD1-CB 3.65Å; F728-C737 HydrophobicContact CE1-CB 3.65Å; F728-C737 HydrophobicContact CG-CB 4.47Å; F728-C737 HydrophobicContact CZ-CB 4.44Å; F728-T1029 HydrophobicContact CD1-CG2 3.95Å; F728-T1029 HydrophobicContact CE1-CG2 4.11Å; F728-M1032 HydrophobicContact CE1-CE 3.42Å; F728-M1032 VanDerWaalsContact CE1-CE 3.42Å; F728-M1032 HydrophobicContact CZ-CE 3.67Å; F728-L1033 HydrophobicContact CE1-CD1 4.41Å; F728-L1033 HydrophobicContact CE1-CD2 3.77Å; F728-L1033 HydrophobicContact CE1-CG 4.24Å; F728-L1033 HydrophobicContact CZ-CD2 4.07Å
729Q97.7Very high96.6Very high3 Ų320.7 Ų20.71%0.01412%0.119CC..EExtended strand (participates in β ladder)trans-129.4139.4174.3-177.1174.932.500109.8A683 I731 E735 V736 F738 F769 R770A683-Q729 PolarHBondContact O-NE2 2.98Å; Q729-I731 HydrophobicContact CB-CD1 4.45Å; Q729-I731 HydrophobicContact CB-CG1 4.23Å; Q729-I731 HydrophobicContact CG-CD1 4.4Å; Q729-I731 HydrophobicContact CG-CG1 3.87Å; Q729-I731 PolarHBondContact O-N 2.96Å; Q729-E735 CarbonylContact O-C 3.55Å; Q729-E735 WeakPolarHBondContact O-CA 3.35Å; Q729-V736 PolarHBondContact N-O 3.16Å; Q729-V736 PolarHBondContact O-N 2.79Å; Q729-F738 HydrophobicContact CB-CD1 3.92Å; Q729-F738 HydrophobicContact CB-CE1 3.86Å; Q729-F769 VanDerWaalsContact OE1-CD2 3.26Å; Q729-R770 PolarHBondContact NE2-O 3.44Å
730E96.1Very high96.6Very high91 Ų9118.3 Ų18.343%0.42510%0.103SC..EExtended strand (participates in β ladder)trans-79.3115.6170.2-164.1174.6143.600109.8K657K657-E730 IonicContact NZ-OE2 2.71Å; K657-E730 PolarHBondContact NZ-OE2 3.05Å
731I95Very high96.6Very high6 Ų617.5 Ų17.53%0.03110%0.1CC..EExtended strand (participates in β ladder)trans-124.9119.1-177.3-58.6-179.1000108Q729 G733 Q734 V736 R770 L1022 K1026Q729-I731 HydrophobicContact CB-CD1 4.45Å; Q729-I731 HydrophobicContact CB-CG1 4.23Å; Q729-I731 HydrophobicContact CG-CD1 4.4Å; Q729-I731 HydrophobicContact CG-CG1 3.87Å; Q729-I731 PolarHBondContact O-N 2.96Å; I731-G733 VanDerWaalsContact C-N 3.28Å; I731-G733 PolarHBondContact O-N 3.21Å; I731-Q734 PolarHBondContact N-O 2.91Å; I731-Q734 PolarHBondContact O-N 3.13Å; I731-Q734 VanDerWaalsContact O-N 3.16Å; I731-V736 HydrophobicContact CB-CG2 4.25Å; I731-V736 HydrophobicContact CD1-CB 4.24Å; I731-V736 HydrophobicContact CD1-CG2 4.24Å; I731-V736 HydrophobicContact CG1-CG2 4.44Å; I731-R770 HydrophobicContact CD1-CG 4.37Å; I731-L1022 HydrophobicContact CD1-CD1 4.46Å; I731-L1022 HydrophobicContact CG2-CD1 4.49Å; I731-L1022 HydrophobicContact CG2-CD2 4.32Å; I731-K1026 VanDerWaalsContact O-CE 3.22Å; I731-K1026 WeakPolarHBondContact O-CE 3.48Å; I731-K1026 PolarHBondContact O-NZ 2.94Å
732D90.9Very high96.7Very high108 Ų10815.4 Ų15.458%0.5789%0.093SC*.THydrogen-bonded Turntrans49.646.6-174.7-23.5-60.7000112.2Q734 R770 K1026D732-Q734 VanDerWaalsContact C-N 3.32Å; D732-Q734 PolarHBondContact O-N 3.44Å; D732-R770 IonicContact OD1-CZ 3.63Å; D732-R770 IonicContact OD1-NH1 3.21Å; D732-R770 PolarHBondContact OD1-NH1 2.9Å; D732-R770 IonicContact OD1-NH2 2.64Å; D732-R770 PolarHBondContact OD1-NH2 2.97Å; D732-R770 IonicContact OD2-CZ 2.97Å; D732-R770 IonicContact OD2-NH1 3.8Å; D732-R770 IonicContact OD2-NH2 2.81Å; D732-R770 PolarHBondContact OD2-NH2 2.98Å; D732-K1026 IonicContact OD2-NZ 3.9Å; D732-K1026 PolarHBondContact OD2-NZ 2.69Å
733G89.7Confident96.8Very high62 Ų6215 Ų1564%0.6399%0.09SC*.THydrogen-bonded Turntrans73.212.5179.500000116.1I731I731-G733 VanDerWaalsContact C-N 3.28Å; I731-G733 PolarHBondContact O-N 3.21Å
734Q94.1Very high96.9Very high20 Ų2015.3 Ų15.39%0.0939%0.092CC..EExtended strand (participates in β ladder)trans-132.2130.2178.8174.758.456.500110.9I626 I731 D732 K1026I626-Q734 HydrophobicContact CD1-CG 4.3Å; I626-Q734 HydrophobicContact CG2-CG 4.28Å; I731-Q734 PolarHBondContact N-O 2.91Å; I731-Q734 PolarHBondContact O-N 3.13Å; I731-Q734 VanDerWaalsContact O-N 3.16Å; D732-Q734 VanDerWaalsContact C-N 3.32Å; D732-Q734 PolarHBondContact O-N 3.44Å; Q734-K1026 HydrophobicContact CB-CD 4.02Å; Q734-K1026 HydrophobicContact CB-CG 4.32Å; Q734-K1026 HydrophobicContact CG-CB 3.9Å; Q734-K1026 HydrophobicContact CG-CD 3.93Å; Q734-K1026 HydrophobicContact CG-CG 3.76Å
735E96.8Very high96.9Very high9 Ų915.6 Ų15.64%0.0429%0.093CC..EExtended strand (participates in β ladder)trans-64.8134.5173.3-67173.4150.400111.3T655 A656 K657 I687 Q729 T1029 L1033T655-E735 WeakPolarHBondContact CA-OE2 3.35Å; T655-E735 WeakPolarHBondContact CB-OE2 3.4Å; A656-E735 PolarHBondContact N-OE1 3.49Å; A656-E735 PolarHBondContact N-OE2 2.82Å; K657-E735 WeakPolarHBondContact CG-OE1 3.48Å; K657-E735 PolarHBondContact N-OE1 3.46Å; K657-E735 VanDerWaalsContact N-OE1 3.13Å; I687-E735 HydrophobicContact CD1-CG 4.13Å; I687-E735 WeakPolarHBondContact CD1-OE1 3.47Å; Q729-E735 CarbonylContact O-C 3.55Å; Q729-E735 WeakPolarHBondContact O-CA 3.35Å; E735-T1029 WeakPolarHBondContact O-CG2 3.3Å; E735-L1033 WeakPolarHBondContact OE2-CD1 3.25Å
736V97.7Very high96.9Very high0 Ų015.5 Ų15.50%09%0.093CC..EExtended strand (participates in β ladder)trans-125.6121.5175.5178.20000108.4F728 Q729 I731 L1022 A1025 K1026F728-V736 CarbonylContact C-O 3.44Å; F728-V736 VanDerWaalsContact CA-O 3.26Å; F728-V736 WeakPolarHBondContact CA-O 3.36Å; Q729-V736 PolarHBondContact N-O 3.16Å; Q729-V736 PolarHBondContact O-N 2.79Å; I731-V736 HydrophobicContact CB-CG2 4.25Å; I731-V736 HydrophobicContact CD1-CB 4.24Å; I731-V736 HydrophobicContact CD1-CG2 4.24Å; I731-V736 HydrophobicContact CG1-CG2 4.44Å; V736-L1022 HydrophobicContact CG2-CD1 4.08Å; V736-A1025 HydrophobicContact CG1-CB 4.17Å; V736-K1026 HydrophobicContact CG2-CB 4.41Å; V736-K1026 HydrophobicContact CG2-CD 4.4Å; V736-K1026 HydrophobicContact CG2-CG 3.37Å
737C98.4Very high96.9Very high0 Ų015.8 Ų15.80%010%0.095CC..EExtended strand (participates in β ladder)trans-73.2129.3167.4-162.40000109.1F728 V766 F813 T1029 M1032F728-C737 HydrophobicContact CD1-CB 3.65Å; F728-C737 HydrophobicContact CE1-CB 3.65Å; F728-C737 HydrophobicContact CG-CB 4.47Å; F728-C737 HydrophobicContact CZ-CB 4.44Å; C737-V766 WeakPolarHBondContact O-CG2 3.3Å; C737-F813 HydrophobicContact CB-CE1 4.25Å; C737-T1029 HydrophobicContact CB-CG2 4.08Å; C737-T1029 PolarHBondContact N-OG1 3.03Å; C737-M1032 HydrophobicContact CB-CE 3.93Å
738F98Very high96.8Very high1 Ų117.2 Ų17.20%0.00411%0.106CC..EExtended strand (participates in β ladder)trans-132-5.9-171.372.8-93.4000114.9V686 A727 Q729 S765 V766 F769 I778 Y779V686-F738 HydrophobicContact CG1-CE1 4Å; V686-F738 HydrophobicContact CG1-CZ 3.9Å; V686-F738 HydrophobicContact CG2-CZ 4.41Å; A727-F738 HydrophobicContact CB-CE1 3.92Å; A727-F738 HydrophobicContact CB-CE2 4.34Å; A727-F738 HydrophobicContact CB-CZ 3.75Å; A727-F738 WeakPolarHBondContact O-CD1 3.42Å; A727-F738 PolarHBondContact O-N 2.95Å; Q729-F738 HydrophobicContact CB-CD1 3.92Å; Q729-F738 HydrophobicContact CB-CE1 3.86Å; F738-S765 WeakPolarHBondContact O-CA 3.26Å; F738-S765 WeakPolarHBondContact O-CB 3.42Å; F738-V766 HydrophobicContact CB-CG2 4.43Å; F738-V766 PolarHBondContact O-N 2.91Å; F738-V766 VanDerWaalsContact O-N 3.08Å; F738-F769 HydrophobicContact CD1-CD2 4.43Å; F738-F769 HydrophobicContact CD2-CB 4Å; F738-F769 HydrophobicContact CD2-CD2 4.08Å; F738-F769 HydrophobicContact CD2-CG 4.44Å; F738-F769 HydrophobicContact CE1-CD2 4.01Å; F738-F769 HydrophobicContact CE2-CB 4.3Å; F738-F769 AromaticContact CE2-CD2 3.63Å; F738-F769 HydrophobicContact CE2-CD2 3.63Å; F738-F769 HydrophobicContact CE2-CE2 4.44Å; F738-F769 HydrophobicContact CE2-CG 4.26Å; F738-F769 HydrophobicContact CG-CB 4.42Å; F738-F769 HydrophobicContact CG-CD2 4.47Å; F738-F769 AromaticContact CZ-CD2 3.6Å; F738-F769 HydrophobicContact CZ-CD2 3.6Å; F738-F769 HydrophobicContact CZ-CE2 4.09Å; F738-I778 HydrophobicContact CE2-CG2 4.33Å; F738-I778 HydrophobicContact CZ-CG2 4.35Å; F738-Y779 AromaticContact CD2-CE1 3.81Å; F738-Y779 HydrophobicContact CD2-CE1 3.81Å; F738-Y779 HydrophobicContact CE2-CD1 4.47Å; F738-Y779 AromaticContact CE2-CE1 3.86Å; F738-Y779 HydrophobicContact CE2-CE1 3.86Å
739F98.6Very high96.6Very high1 Ų123.6 Ų23.60%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-155139.1-179.7178-86.6000110.1F726 A727 L741 L763 D764 Y779 L782F726-F739 WeakPolarHBondContact CA-O 3.34Å; A727-F739 HydrophobicContact CB-CB 4.19Å; A727-F739 PolarHBondContact N-O 3.26Å; F739-L741 HydrophobicContact CE1-CB 3.68Å; F739-L741 HydrophobicContact CE1-CD2 4.3Å; F739-L741 HydrophobicContact CZ-CB 4.17Å; F739-L741 HydrophobicContact CZ-CD2 4.5Å; F739-L763 HydrophobicContact CE2-CD1 3.75Å; F739-L763 HydrophobicContact CE2-CD2 4.18Å; F739-L763 HydrophobicContact CE2-CG 3.89Å; F739-L763 HydrophobicContact CZ-CD1 3.61Å; F739-L763 HydrophobicContact CZ-CG 4Å; F739-D764 WeakPolarHBondContact CA-O 3.41Å; F739-Y779 HydrophobicContact CB-CD1 4.39Å; F739-Y779 HydrophobicContact CB-CE1 4.05Å; F739-Y779 AromaticContact CD2-CD1 3.42Å; F739-Y779 HydrophobicContact CD2-CD1 3.42Å; F739-Y779 VanDerWaalsContact CD2-CD1 3.42Å; F739-Y779 AromaticContact CD2-CE1 3.72Å; F739-Y779 HydrophobicContact CD2-CE1 3.72Å; F739-Y779 HydrophobicContact CD2-CG 4.04Å; F739-Y779 AromaticContact CE2-CD1 3.99Å; F739-Y779 HydrophobicContact CE2-CD1 3.99Å; F739-Y779 HydrophobicContact CE2-CG 4.22Å; F739-Y779 HydrophobicContact CG-CD1 4.2Å; F739-Y779 HydrophobicContact CG-CE1 4.31Å; F739-L782 HydrophobicContact CB-CD1 4.4Å; F739-L782 HydrophobicContact CD1-CD1 3.71Å; F739-L782 HydrophobicContact CD2-CD1 4.19Å; F739-L782 HydrophobicContact CE1-CB 4.2Å; F739-L782 HydrophobicContact CE1-CD1 3.9Å; F739-L782 HydrophobicContact CE1-CG 4.44Å; F739-L782 HydrophobicContact CE2-CD1 4.35Å; F739-L782 HydrophobicContact CG-CD1 3.85Å; F739-L782 HydrophobicContact CZ-CB 4.22Å; F739-L782 HydrophobicContact CZ-CD1 4.21Å
740G98Very high96.5Very high0 Ų023.6 Ų23.60%014%0.136CC..EExtended strand (participates in β ladder)trans-138.2144.6176.800000110.9I725 L763 D764I725-G740 CarbonylContact O-C 3.58Å; I725-G740 WeakPolarHBondContact O-CA 3.49Å; G740-L763 WeakPolarHBondContact O-CA 3.44Å; G740-D764 PolarHBondContact N-O 3.46Å; G740-D764 PolarHBondContact O-N 3.47Å
741L97.9Very high96.6Very high2 Ų221.7 Ų21.71%0.0113%0.131CC..EExtended strand (participates in β ladder)trans-147.1117.8-174.6167.160.4000110.3I725 F739 V743 V760 Y762 L763 L783I725-L741 HydrophobicContact CB-CB 4.36Å; I725-L741 HydrophobicContact CD1-CD2 4.24Å; I725-L741 PolarHBondContact N-O 3.28Å; I725-L741 PolarHBondContact O-N 3.01Å; F739-L741 HydrophobicContact CE1-CB 3.68Å; F739-L741 HydrophobicContact CE1-CD2 4.3Å; F739-L741 HydrophobicContact CZ-CB 4.17Å; F739-L741 HydrophobicContact CZ-CD2 4.5Å; L741-V743 HydrophobicContact CD1-CG1 3.72Å; L741-V743 HydrophobicContact CD2-CG1 4.34Å; L741-V743 HydrophobicContact CG-CG1 3.9Å; L741-V760 HydrophobicContact CD1-CG1 3.72Å; L741-V760 HydrophobicContact CD1-CG2 4.43Å; L741-Y762 WeakPolarHBondContact CA-O 3.33Å; L741-L763 HydrophobicContact CD1-CB 4.32Å; L741-L763 HydrophobicContact CD1-CD1 4.41Å; L741-L783 HydrophobicContact CD1-CD2 4.46Å; L741-L783 HydrophobicContact CD2-CD2 4.07Å
742H97.2Very high96.6Very high8 Ų827.7 Ų27.74%0.03716%0.163CC..EExtended strand (participates in β ladder)trans-102.7126.7170.6-73.382.5000110.4K723 A724 A761 Y762 M1002K723-H742 WeakPolarHBondContact O-CA 3.27Å; A724-H742 WeakPolarHBondContact CB-NE2 3.38Å; H742-A761 PolarHBondContact O-N 2.88Å; H742-Y762 PolarHBondContact N-O 2.92Å; H742-Y762 PolarHBondContact O-N 3.23Å; H742-M1002 PolarHBondContact NE2-O 3.23Å
743V98.1Very high96.8Very high0 Ų023.1 Ų23.10%014%0.138CC..EExtended strand (participates in β ladder)trans-125.2151.7179.8-63.90000111.5V722 K723 I725 L741 E745 Y759 V760 Y786V722-V743 WeakPolarHBondContact CA-O 3.48Å; K723-V743 HydrophobicContact CB-CG2 3.77Å; K723-V743 PolarHBondContact N-O 3.41Å; K723-V743 PolarHBondContact O-N 3.3Å; I725-V743 HydrophobicContact CD1-CG2 4.39Å; L741-V743 HydrophobicContact CD1-CG1 3.72Å; L741-V743 HydrophobicContact CD2-CG1 4.34Å; L741-V743 HydrophobicContact CG-CG1 3.9Å; V743-E745 HydrophobicContact CG2-CG 4.42Å; V743-Y759 CarbonylContact C-O 3.28Å; V743-Y759 WeakPolarHBondContact CA-O 3.31Å; V743-V760 HydrophobicContact CG1-CG2 4.37Å; V743-Y786 HydrophobicContact CB-CE1 4.27Å; V743-Y786 HydrophobicContact CG1-CD1 4.3Å; V743-Y786 HydrophobicContact CG1-CE1 3.77Å; V743-Y786 HydrophobicContact CG1-CE2 4.43Å; V743-Y786 HydrophobicContact CG2-CE2 3.95Å
744Q98.1Very high97.1Very high9 Ų920.1 Ų20.14%0.04211%0.108CC..EExtended strand (participates in β ladder)trans-115124.3173.5-56.4174.916.300108.6Y720 Y746 V758 Y759 A761 E870Y720-Q744 HydrophobicContact CD2-CB 3.63Å; Y720-Q744 HydrophobicContact CD2-CG 3.88Å; Y720-Q744 HydrophobicContact CE2-CB 3.96Å; Y720-Q744 HydrophobicContact CE2-CG 3.64Å; Y720-Q744 HydrophobicContact CG-CB 4.38Å; Q744-Y746 HydrophobicContact CB-CD2 4.4Å; Q744-Y746 HydrophobicContact CB-CE2 3.69Å; Q744-Y746 PolarHBondContact OE1-OH 3.07Å; Q744-V758 CarbonylContact O-C 3.43Å; Q744-V758 VanDerWaalsContact O-CA 3.3Å; Q744-V758 WeakPolarHBondContact O-CA 3.49Å; Q744-Y759 HydrophobicContact CG-CD1 4.26Å; Q744-Y759 PolarHBondContact N-O 3.11Å; Q744-Y759 PolarHBondContact O-N 2.9Å; Q744-A761 HydrophobicContact CG-CB 4.14Å; Q744-E870 PolarHBondContact NE2-O 3.18Å; Q744-E870 VanDerWaalsContact OE1-N 3.12Å
745E98.5Very high97.3Very high6 Ų620.9 Ų20.93%0.02811%0.114CC..EExtended strand (participates in β ladder)trans-115.6103.7-174.8-63.7-173.5167.600110.2Y720 R721 K723 V743 V758 Y786 F795Y720-E745 CarbonylContact C-O 3.56Å; Y720-E745 VanDerWaalsContact CA-O 3.3Å; Y720-E745 WeakPolarHBondContact CA-O 3.33Å; R721-E745 HydrophobicContact CB-CB 4.32Å; R721-E745 PolarHBondContact N-O 2.79Å; R721-E745 PolarHBondContact O-N 2.9Å; K723-E745 VanDerWaalsContact CE-OE2 3.27Å; K723-E745 WeakPolarHBondContact CE-OE2 3.27Å; K723-E745 IonicContact NZ-OE1 2.8Å; K723-E745 IonicContact NZ-OE2 3.2Å; K723-E745 PolarHBondContact NZ-OE2 2.87Å; V743-E745 HydrophobicContact CG2-CG 4.42Å; E745-V758 HydrophobicContact CB-CG1 4.44Å; E745-V758 HydrophobicContact CG-CG1 4.01Å; E745-Y786 VanDerWaalsContact CG-OH 3.3Å; E745-Y786 WeakPolarHBondContact CG-OH 3.29Å; E745-Y786 VanDerWaalsContact OE1-CE2 3.29Å; E745-Y786 WeakPolarHBondContact OE1-CE2 3.23Å; E745-Y786 PolarHBondContact OE1-OH 3.17Å; E745-F795 HydrophobicContact CB-CE1 3.99Å; E745-F795 HydrophobicContact CB-CZ 3.76Å; E745-F795 HydrophobicContact CG-CZ 4.32Å
746Y98.6Very high97.3Very high0 Ų021.8 Ų21.80%012%0.117CC..  trans-92107.5-180-65.6-95.8000109.2V698 F718 P719 Y720 Q744 N754 R756 R757 F795 F869 E870V698-Y746 HydrophobicContact CG1-CE1 3.94Å; V698-Y746 WeakPolarHBondContact CG1-OH 3.32Å; F718-Y746 HydrophobicContact CB-CD1 4.15Å; F718-Y746 HydrophobicContact CB-CE1 3.88Å; P719-Y746 WeakPolarHBondContact O-CD1 3.31Å; Y720-Y746 AromaticContact CD1-CE1 3.89Å; Y720-Y746 HydrophobicContact CD1-CE1 3.89Å; Y720-Y746 AromaticContact CD1-CZ 3.88Å; Y720-Y746 AromaticContact CG-CE1 3.97Å; Y720-Y746 HydrophobicContact CG-CE1 3.97Å; Y720-Y746 HydrophobicContact CG-CE2 4.27Å; Y720-Y746 AromaticContact CG-CZ 3.82Å; Q744-Y746 HydrophobicContact CB-CD2 4.4Å; Q744-Y746 HydrophobicContact CB-CE2 3.69Å; Q744-Y746 PolarHBondContact OE1-OH 3.07Å; Y746-N754 VanDerWaalsContact CB-O 3.24Å; Y746-N754 WeakPolarHBondContact CB-O 3.44Å; Y746-N754 HydrophobicContact CD1-CB 3.71Å; Y746-N754 WeakPolarHBondContact CD1-ND2 3.43Å; Y746-N754 HydrophobicContact CE1-CB 4.33Å; Y746-N754 WeakPolarHBondContact CE1-ND2 3.49Å; Y746-N754 HydrophobicContact CG-CB 4.01Å; Y746-R756 CarbonylContact O-C 3.57Å; Y746-R756 WeakPolarHBondContact O-CA 3.16Å; Y746-R756 PolarHBondContact O-N 2.97Å; Y746-R757 WeakPolarHBondContact CB-O 3.34Å; Y746-R757 PolarHBondContact N-O 3.05Å; Y746-R757 PolarHBondContact O-N 3.23Å; Y746-F795 WeakPolarHBondContact O-CE1 3.42Å; Y746-F869 AromaticContact CD2-CD1 3.97Å; Y746-F869 HydrophobicContact CD2-CD1 3.97Å; Y746-F869 AromaticContact CD2-CE1 3.94Å; Y746-F869 HydrophobicContact CD2-CE1 3.94Å; Y746-F869 AromaticContact CE2-CD1 3.37Å; Y746-F869 HydrophobicContact CE2-CD1 3.37Å; Y746-F869 AromaticContact CE2-CE1 3.83Å; Y746-F869 HydrophobicContact CE2-CE1 3.83Å; Y746-F869 HydrophobicContact CE2-CG 4.41Å; Y746-F869 AromaticContact CZ-CD1 3.77Å; Y746-E870 PolarHBondContact OH-N 3.33Å
747G97.5Very high97.4Very high5 Ų523.4 Ų23.45%0.05212%0.123CC..  trans-71.7-170.2-167.800000115.6E749 C750 R756G747-E749 WeakPolarHBondContact CA-OE1 3.45Å; G747-E749 PolarHBondContact O-N 3.41Å; G747-C750 PolarHBondContact O-N 2.84Å; G747-R756 PolarHBondContact O-N 3.05Å
748S96.7Very high97.4Very high31 Ų3123.5 Ų23.522%0.21712%0.123CC..SBendtrans-70.2-21.2176.241.90000114.2I990S748-I990 PolarHBondContact OG-N 3.27Å
749E94.4Very high97.4Very high134 Ų13423.7 Ų23.763%0.62612%0.124SC*.SBendtrans-97.5-9.8-17865.4-64150.800112.5G747G747-E749 WeakPolarHBondContact CA-OE1 3.45Å; G747-E749 PolarHBondContact O-N 3.41Å
750C97.4Very high97.4Very high3 Ų324.3 Ų24.32%0.0213%0.128CC..SBendtrans-66.8132.7166.5177.60000109.6P719 G747 N754 T755P719-C750 HydrophobicContact CG-CB 4.32Å; G747-C750 PolarHBondContact O-N 2.84Å; C750-N754 VanDerWaalsContact SG-CB 3.52Å; C750-T755 WeakPolarHBondContact O-CA 3.17Å; C750-T755 WeakPolarHBondContact O-CB 3.45Å; C750-T755 PolarHBondContact O-OG1 3.43Å
751P96.5Very high97.1Very high50 Ų5025.2 Ų25.233%0.32514%0.135SC..PPolyproline II helixtrans-57.8161.8172.6-27.436.8000114.6P715 F718 N754 T755P715-P751 HydrophobicContact CB-CB 4.38Å; P715-P751 HydrophobicContact CB-CG 4.44Å; P715-P751 HydrophobicContact CG-CB 3.6Å; P715-P751 HydrophobicContact CG-CG 4.12Å; F718-P751 HydrophobicContact CD1-CB 4.28Å; F718-P751 HydrophobicContact CE1-CB 4.22Å; P751-N754 PolarHBondContact O-N 2.78Å; P751-N754 VanDerWaalsContact O-N 3.1Å; P751-T755 PolarHBondContact O-N 2.89Å; P751-T755 VanDerWaalsContact O-N 3.14Å; P751-T755 PolarHBondContact O-OG1 3.21Å
752L94.7Very high96.9Very high133 Ų13328.6 Ų28.670%0.69615%0.149SC*.THydrogen-bonded Turntrans-66.2145.5165.8-69.8172.7000109.7F718 T755F718-L752 WeakPolarHBondContact CE1-O 3.48Å; L752-T755 PolarHBondContact N-OG1 3.49Å; L752-T755 VanDerWaalsContact N-OG1 3.14Å
753P95.1Very high96.8Very high11 Ų1129.6 Ų29.67%0.07115%0.154CC..THydrogen-bonded Turncis-82.7-6.28.231.1-35.4000115.6M714 R757 S864 E865 L866M714-P753 HydrophobicContact CE-CG 4.24Å; P753-R757 PolarHBondContact O-NE 2.82Å; P753-R757 PolarHBondContact O-NH2 2.81Å; P753-R757 VanDerWaalsContact O-NH2 3.09Å; P753-S864 WeakPolarHBondContact CG-O 3.45Å; P753-E865 VanDerWaalsContact CB-O 3.23Å; P753-E865 WeakPolarHBondContact CB-O 3.36Å; P753-L866 WeakPolarHBondContact CG-O 3.46Å
754N97.5Very high96.8Very high0 Ų030.3 Ų30.30%016%0.158CC..THydrogen-bonded Turntrans-84.3-11.7-167.7-78.219.6000116.3F718 Y746 C750 P751 R756 R757 A867 Y868F718-N754 HydrophobicContact CB-CB 4.45Å; F718-N754 HydrophobicContact CD1-CB 4.13Å; F718-N754 HydrophobicContact CG-CB 4.35Å; Y746-N754 VanDerWaalsContact CB-O 3.24Å; Y746-N754 WeakPolarHBondContact CB-O 3.44Å; Y746-N754 HydrophobicContact CD1-CB 3.71Å; Y746-N754 WeakPolarHBondContact CD1-ND2 3.43Å; Y746-N754 HydrophobicContact CE1-CB 4.33Å; Y746-N754 WeakPolarHBondContact CE1-ND2 3.49Å; Y746-N754 HydrophobicContact CG-CB 4.01Å; C750-N754 VanDerWaalsContact SG-CB 3.52Å; P751-N754 PolarHBondContact O-N 2.78Å; P751-N754 VanDerWaalsContact O-N 3.1Å; N754-R756 PolarHBondContact O-N 3.49Å; N754-R757 WeakPolarHBondContact O-CB 3.18Å; N754-R757 WeakPolarHBondContact O-CG 3.48Å; N754-R757 PolarHBondContact O-N 3.44Å; N754-A867 WeakPolarHBondContact OD1-CA 3.27Å; N754-Y868 PolarHBondContact ND2-O 3.36Å; N754-Y868 PolarHBondContact OD1-N 3.09Å
755T97.3Very high96.8Very high35 Ų3531 Ų3122%0.21516%0.163CC..THydrogen-bonded Turntrans-43.3126.4-177.9-47.40000114.2C750 P751 L752 R757C750-T755 WeakPolarHBondContact O-CA 3.17Å; C750-T755 WeakPolarHBondContact O-CB 3.45Å; C750-T755 PolarHBondContact O-OG1 3.43Å; P751-T755 PolarHBondContact O-N 2.89Å; P751-T755 VanDerWaalsContact O-N 3.14Å; P751-T755 PolarHBondContact O-OG1 3.21Å; L752-T755 PolarHBondContact N-OG1 3.49Å; L752-T755 VanDerWaalsContact N-OG1 3.14Å; T755-R757 VanDerWaalsContact C-N 3.3Å; T755-R757 PolarHBondContact O-N 2.68Å
756R97.9Very high96.8Very high29 Ų2930.7 Ų30.711%0.10916%0.162CC..THydrogen-bonded Turntrans58.826.8177.7-59.5178-179.6-95.55.3115.7Y746 G747 N754 G794 F795 T796 L987 P988 I990Y746-R756 CarbonylContact O-C 3.57Å; Y746-R756 WeakPolarHBondContact O-CA 3.16Å; Y746-R756 PolarHBondContact O-N 2.97Å; G747-R756 PolarHBondContact O-N 3.05Å; N754-R756 PolarHBondContact O-N 3.49Å; R756-G794 PolarHBondContact NH1-O 2.95Å; R756-F795 CarbonylContact O-C 3.58Å; R756-F795 WeakPolarHBondContact O-CA 3.34Å; R756-T796 HydrophobicContact CB-CG2 3.9Å; R756-T796 HydrophobicContact CG-CG2 4.48Å; R756-T796 PolarHBondContact O-N 2.86Å; R756-T796 PolarHBondContact O-OG1 2.69Å; R756-L987 PolarHBondContact NH2-O 2.59Å; R756-P988 VanDerWaalsContact CZ-O 3.31Å; R756-P988 PolarHBondContact NH1-O 3.07Å; R756-P988 PolarHBondContact NH2-O 3.35Å; R756-I990 HydrophobicContact CB-CD1 4.25Å; R756-I990 HydrophobicContact CG-CD1 3.91Å; R756-I990 HydrophobicContact CG-CG1 4.46Å
757R98.6Very high96.7Very high34 Ų3433 Ų3313%0.12817%0.171CC..EExtended strand (participates in β ladder)trans-98.8146.8175.7-58.9-175.5-168.7-112.87.8112.1Y746 P753 N754 T755 M797 H799 F869Y746-R757 WeakPolarHBondContact CB-O 3.34Å; Y746-R757 PolarHBondContact N-O 3.05Å; Y746-R757 PolarHBondContact O-N 3.23Å; P753-R757 PolarHBondContact O-NE 2.82Å; P753-R757 PolarHBondContact O-NH2 2.81Å; P753-R757 VanDerWaalsContact O-NH2 3.09Å; N754-R757 WeakPolarHBondContact O-CB 3.18Å; N754-R757 WeakPolarHBondContact O-CG 3.48Å; N754-R757 PolarHBondContact O-N 3.44Å; T755-R757 VanDerWaalsContact C-N 3.3Å; T755-R757 PolarHBondContact O-N 2.68Å; R757-M797 WeakPolarHBondContact CA-O 3.48Å; R757-M797 HydrophobicContact CG-CB 4.42Å; R757-M797 HydrophobicContact CG-CE 4.32Å; R757-H799 PolarHBondContact NH1-CE1 3.14Å; R757-H799 PolarHBondContact NH1-NE2 3.47Å; R757-F869 HydrophobicContact CB-CE1 4.23Å; R757-F869 HydrophobicContact CB-CZ 4.24Å
758V98.6Very high96.6Very high1 Ų133.7 Ų33.71%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-114.1143.9162.2-55.50000110.4Q744 E745 Y786 A790 F795 M797 A798 H799Q744-V758 CarbonylContact O-C 3.43Å; Q744-V758 VanDerWaalsContact O-CA 3.3Å; Q744-V758 WeakPolarHBondContact O-CA 3.49Å; E745-V758 HydrophobicContact CB-CG1 4.44Å; E745-V758 HydrophobicContact CG-CG1 4.01Å; V758-Y786 HydrophobicContact CB-CE1 4.43Å; V758-Y786 HydrophobicContact CG2-CE1 4.12Å; V758-A790 HydrophobicContact CG1-CB 4.09Å; V758-A790 HydrophobicContact CG2-CB 4.37Å; V758-F795 HydrophobicContact CG1-CB 4.08Å; V758-F795 HydrophobicContact CG1-CD1 3.41Å; V758-F795 VanDerWaalsContact CG1-CD1 3.41Å; V758-F795 HydrophobicContact CG1-CD2 4.04Å; V758-F795 HydrophobicContact CG1-CE1 3.78Å; V758-F795 HydrophobicContact CG1-CE2 4.36Å; V758-F795 HydrophobicContact CG1-CG 3.57Å; V758-F795 HydrophobicContact CG1-CZ 4.25Å; V758-M797 PolarHBondContact N-O 3Å; V758-A798 HydrophobicContact CG2-CB 3.51Å; V758-A798 CarbonylContact O-C 3.58Å; V758-A798 WeakPolarHBondContact O-CA 3.24Å; V758-H799 PolarHBondContact O-N 2.91Å
759Y98.6Very high96.7Very high6 Ų632.2 Ų32.22%0.02416%0.162CC..EExtended strand (participates in β ladder)trans-128.9131.2178.3170.8-113000110.5V743 Q744 A761 H799 W801 F869 D872V743-Y759 CarbonylContact C-O 3.28Å; V743-Y759 WeakPolarHBondContact CA-O 3.31Å; Q744-Y759 HydrophobicContact CG-CD1 4.26Å; Q744-Y759 PolarHBondContact N-O 3.11Å; Q744-Y759 PolarHBondContact O-N 2.9Å; Y759-A761 HydrophobicContact CD1-CB 4.19Å; Y759-A761 HydrophobicContact CE1-CB 4Å; Y759-A761 PolarHBondContact O-N 2.68Å; Y759-H799 HydrophobicContact CD2-CB 3.85Å; Y759-W801 HydrophobicContact CE2-CB 4.31Å; Y759-F869 HydrophobicContact CD1-CB 3.72Å; Y759-F869 HydrophobicContact CD1-CD2 4.26Å; Y759-F869 HydrophobicContact CD1-CG 4.05Å; Y759-F869 AromaticContact CD2-CD2 3.61Å; Y759-F869 HydrophobicContact CD2-CD2 3.61Å; Y759-F869 HydrophobicContact CD2-CE2 4.02Å; Y759-F869 HydrophobicContact CD2-CG 4.22Å; Y759-F869 HydrophobicContact CE1-CB 4Å; Y759-F869 HydrophobicContact CE2-CD2 4.14Å; Y759-F869 HydrophobicContact CG-CB 4.02Å; Y759-F869 HydrophobicContact CG-CD1 4.47Å; Y759-F869 AromaticContact CG-CD2 3.68Å; Y759-F869 HydrophobicContact CG-CD2 3.68Å; Y759-F869 HydrophobicContact CG-CE2 4.22Å; Y759-F869 AromaticContact CG-CG 3.82Å; Y759-F869 HydrophobicContact CG-CG 3.82Å; Y759-D872 HydrophobicContact CE1-CB 4.35Å; Y759-D872 PolarHBondContact OH-OD1 2.84Å
760V97.5Very high96.7Very high14 Ų1430.6 Ų30.69%0.08515%0.151CC..EExtended strand (participates in β ladder)trans-82.8103.7173.1175.90000108.2L741 V743 L763 H799 I800L741-V760 HydrophobicContact CD1-CG1 3.72Å; L741-V760 HydrophobicContact CD1-CG2 4.43Å; V743-V760 HydrophobicContact CG1-CG2 4.37Å; V760-L763 HydrophobicContact CG1-CB 4.3Å; V760-H799 PolarHBondContact N-O 3.1Å; V760-I800 HydrophobicContact CB-CG1 4.26Å; V760-I800 HydrophobicContact CG2-CD1 4.48Å; V760-I800 HydrophobicContact CG2-CG1 3.99Å
761A93.2Very high96.7Very high18 Ų1831.9 Ų31.915%0.14916%0.159CC..EExtended strand (participates in β ladder)trans-80.7-45-175.500000112.4H742 Q744 Y759H742-A761 PolarHBondContact O-N 2.88Å; Q744-A761 HydrophobicContact CG-CB 4.14Å; Y759-A761 HydrophobicContact CD1-CB 4.19Å; Y759-A761 HydrophobicContact CE1-CB 4Å; Y759-A761 PolarHBondContact O-N 2.68Å
762Y93.2Very high96.6Very high74 Ų7436.3 Ų36.329%0.2917%0.173SC..EExtended strand (participates in β ladder)trans-144.4140.9174-63.6-81.5000109.8L741 H742 Y811 R1005L741-Y762 WeakPolarHBondContact CA-O 3.33Å; H742-Y762 PolarHBondContact N-O 2.92Å; H742-Y762 PolarHBondContact O-N 3.23Å; Y762-Y811 AromaticContact CD1-CD1 3.72Å; Y762-Y811 HydrophobicContact CD1-CD1 3.72Å; Y762-Y811 HydrophobicContact CD1-CE1 4.13Å; Y762-Y811 AromaticContact CD1-CG 3.97Å; Y762-Y811 HydrophobicContact CD1-CG 3.97Å; Y762-Y811 AromaticContact CE1-CD1 3.99Å; Y762-Y811 HydrophobicContact CE1-CD1 3.99Å; Y762-Y811 HydrophobicContact CE1-CE1 4.14Å; Y762-R1005 VanDerWaalsContact CE1-CD 3.44Å; Y762-R1005 VanDerWaalsContact CZ-CD 3.47Å
763L95.6Very high96.6Very high29 Ų2936.1 Ų36.115%0.15217%0.169CC..EExtended strand (participates in β ladder)trans-135.3134.6168.8175.3150.6000107.7F739 G740 L741 V760 L783 Y811F739-L763 HydrophobicContact CE2-CD1 3.75Å; F739-L763 HydrophobicContact CE2-CD2 4.18Å; F739-L763 HydrophobicContact CE2-CG 3.89Å; F739-L763 HydrophobicContact CZ-CD1 3.61Å; F739-L763 HydrophobicContact CZ-CG 4Å; G740-L763 WeakPolarHBondContact O-CA 3.44Å; L741-L763 HydrophobicContact CD1-CB 4.32Å; L741-L763 HydrophobicContact CD1-CD1 4.41Å; V760-L763 HydrophobicContact CG1-CB 4.3Å; L763-L783 HydrophobicContact CD1-CD1 3.76Å; L763-L783 HydrophobicContact CD1-CD2 3.78Å; L763-L783 HydrophobicContact CD1-CG 4.02Å; L763-Y811 WeakPolarHBondContact O-CD2 3.45Å
764D97.6Very high96.7Very high14 Ų1437.1 Ų37.18%0.07517%0.172CC..EExtended strand (participates in β ladder)trans-145.8159.5-179.7-1562.4000111.8F739 G740 Y811 I812 F813 H816F739-D764 WeakPolarHBondContact CA-O 3.41Å; G740-D764 PolarHBondContact N-O 3.46Å; G740-D764 PolarHBondContact O-N 3.47Å; D764-Y811 PolarHBondContact OD2-N 3.32Å; D764-I812 HydrophobicContact CB-CB 3.78Å; D764-I812 HydrophobicContact CB-CD1 3.87Å; D764-I812 HydrophobicContact CB-CG1 3.8Å; D764-I812 PolarHBondContact OD2-N 2.81Å; D764-F813 HydrophobicContact CB-CD2 3.95Å; D764-F813 HydrophobicContact CB-CE2 4.29Å; D764-F813 PolarHBondContact OD2-N 3.42Å; D764-H816 IonicContact OD1-CE1 2.69Å; D764-H816 PolarHBondContact OD1-CE1 2.89Å; D764-H816 IonicContact OD1-NE2 3.79Å; D764-H816 PolarHBondContact OD1-NE2 2.91Å; D764-H816 IonicContact OD2-CE1 2.84Å; D764-H816 PolarHBondContact OD2-CE1 2.86Å; D764-H816 VanDerWaalsContact OD2-CE1 3.25Å; D764-H816 IonicContact OD2-NE2 2.62Å
765S97.8Very high96.7Very high23 Ų2340.1 Ų40.116%0.16118%0.183CC..EExtended strand (participates in β ladder)trans-160.6138.3-177.971.70000112.9F738 Y779 H816 Q820F738-S765 WeakPolarHBondContact O-CA 3.26Å; F738-S765 WeakPolarHBondContact O-CB 3.42Å; S765-Y779 VanDerWaalsContact CB-CZ 3.5Å; S765-Y779 WeakPolarHBondContact CB-OH 3.42Å; S765-H816 PolarHBondContact O-NE2 3.34Å; S765-Q820 PolarHBondContact O-NE2 3.31Å
766V97.5Very high96.6Very high0 Ų040.9 Ų40.90%019%0.187CC..  trans-102.3132.1169.2-65.80000109.5C737 F738 F768 F813 F1019C737-V766 WeakPolarHBondContact O-CG2 3.3Å; F738-V766 HydrophobicContact CB-CG2 4.43Å; F738-V766 PolarHBondContact O-N 2.91Å; F738-V766 VanDerWaalsContact O-N 3.08Å; V766-F768 HydrophobicContact CB-CD2 3.86Å; V766-F768 HydrophobicContact CB-CE2 3.95Å; V766-F768 HydrophobicContact CG2-CD2 3.76Å; V766-F768 HydrophobicContact CG2-CE2 4.19Å; V766-F768 PolarHBondContact O-N 3.31Å; V766-F813 HydrophobicContact CG1-CB 3.64Å; V766-F813 HydrophobicContact CG1-CD1 4.5Å; V766-F813 HydrophobicContact CG1-CD2 4.05Å; V766-F813 HydrophobicContact CG1-CG 3.81Å; V766-F1019 HydrophobicContact CB-CB 4.45Å; V766-F1019 HydrophobicContact CG1-CB 3.59Å; V766-F1019 HydrophobicContact CG1-CD1 4.45Å; V766-F1019 HydrophobicContact CG1-CG 4.28Å; V766-F1019 HydrophobicContact CG2-CD1 4.15Å
767Y96.6Very high96.6Very high49 Ų4942.3 Ų42.319%0.19220%0.196CC..THydrogen-bonded Turntrans-70.48.3-158.874.6-11.2000117.1F769 R775 P817 D819 Q820Y767-F769 PolarHBondContact O-N 3.43Å; Y767-R775 VanDerWaalsContact O-CD 3.3Å; Y767-R775 WeakPolarHBondContact O-CD 3.38Å; Y767-R775 PolarHBondContact O-NH1 3.24Å; Y767-P817 HydrophobicContact CD1-CB 4.36Å; Y767-P817 HydrophobicContact CD1-CG 3.81Å; Y767-P817 HydrophobicContact CE1-CB 3.78Å; Y767-P817 HydrophobicContact CE1-CG 3.63Å; Y767-D819 WeakPolarHBondContact CE2-OD2 3.34Å; Y767-D819 VanDerWaalsContact CZ-OD2 3.3Å; Y767-D819 PolarHBondContact OH-OD1 3.15Å; Y767-D819 PolarHBondContact OH-OD2 3.34Å; Y767-Q820 VanDerWaalsContact CB-OE1 3.25Å; Y767-Q820 HydrophobicContact CD2-CB 4.08Å; Y767-Q820 HydrophobicContact CD2-CG 4.29Å; Y767-Q820 HydrophobicContact CE2-CB 4.4Å; Y767-Q820 HydrophobicContact CG-CB 4.39Å; Y767-Q820 HydrophobicContact CG-CG 4.38Å
768F96.6Very high96.6Very high19 Ų1940.7 Ų40.78%0.08319%0.19CC..THydrogen-bonded Turntrans-74.3-14.1-165.5-65.8-63.8000116.4V766 R770 P817 F1019 L1022 A1025V766-F768 HydrophobicContact CB-CD2 3.86Å; V766-F768 HydrophobicContact CB-CE2 3.95Å; V766-F768 HydrophobicContact CG2-CD2 3.76Å; V766-F768 HydrophobicContact CG2-CE2 4.19Å; V766-F768 PolarHBondContact O-N 3.31Å; F768-R770 PolarHBondContact O-N 2.94Å; F768-P817 HydrophobicContact CE1-CG 4.47Å; F768-P817 HydrophobicContact CE2-CG 3.96Å; F768-P817 HydrophobicContact CZ-CG 3.63Å; F768-F1019 VanDerWaalsContact CE2-O 3.27Å; F768-F1019 WeakPolarHBondContact CE2-O 3.44Å; F768-L1022 HydrophobicContact CB-CD1 4.08Å; F768-L1022 HydrophobicContact CD1-CB 3.78Å; F768-L1022 HydrophobicContact CD1-CD1 3.97Å; F768-L1022 HydrophobicContact CD1-CG 4.42Å; F768-L1022 HydrophobicContact CE1-CB 3.76Å; F768-L1022 HydrophobicContact CG-CD1 4.02Å; F768-L1022 VanDerWaalsContact CZ-N 3.33Å; F768-A1025 HydrophobicContact CD2-CB 3.82Å; F768-A1025 HydrophobicContact CE2-CB 3.61Å; F768-A1025 HydrophobicContact CZ-CB 4.42Å
769F97.7Very high96.6Very high0 Ų041.1 Ų41.10%019%0.191CC..  trans-46.3133.7-179.3179.7-89.6000112.6L676 A683 V686 Q729 F738 Y767 F774 R775 I778L676-F769 HydrophobicContact CD2-CZ 4.14Å; A683-F769 HydrophobicContact CB-CZ 4.21Å; V686-F769 HydrophobicContact CG2-CE2 3.73Å; Q729-F769 VanDerWaalsContact OE1-CD2 3.26Å; F738-F769 HydrophobicContact CD1-CD2 4.43Å; F738-F769 HydrophobicContact CD2-CB 4Å; F738-F769 HydrophobicContact CD2-CD2 4.08Å; F738-F769 HydrophobicContact CD2-CG 4.44Å; F738-F769 HydrophobicContact CE1-CD2 4.01Å; F738-F769 HydrophobicContact CE2-CB 4.3Å; F738-F769 AromaticContact CE2-CD2 3.63Å; F738-F769 HydrophobicContact CE2-CD2 3.63Å; F738-F769 HydrophobicContact CE2-CE2 4.44Å; F738-F769 HydrophobicContact CE2-CG 4.26Å; F738-F769 HydrophobicContact CG-CB 4.42Å; F738-F769 HydrophobicContact CG-CD2 4.47Å; F738-F769 AromaticContact CZ-CD2 3.6Å; F738-F769 HydrophobicContact CZ-CD2 3.6Å; F738-F769 HydrophobicContact CZ-CE2 4.09Å; Y767-F769 PolarHBondContact O-N 3.43Å; F769-F774 HydrophobicContact CE1-CB 4.18Å; F769-R775 HydrophobicContact CB-CB 4.14Å; F769-R775 HydrophobicContact CB-CG 3.76Å; F769-R775 HydrophobicContact CD1-CB 3.82Å; F769-R775 HydrophobicContact CD1-CG 4.33Å; F769-R775 HydrophobicContact CG-CB 4.31Å; F769-R775 HydrophobicContact CG-CG 4.31Å; F769-I778 HydrophobicContact CE1-CG1 4.04Å; F769-I778 HydrophobicContact CE2-CG1 4.32Å; F769-I778 HydrophobicContact CE2-CG2 4.47Å; F769-I778 HydrophobicContact CZ-CD1 4.44Å; F769-I778 HydrophobicContact CZ-CG1 3.8Å
770R95.7Very high96.6Very high101 Ų10141.1 Ų41.138%0.38119%0.191SC..SBendtrans-113.6144.7177.7-63.6-169.7-173.6165.49111.5A683 Q729 I731 D732 F768 L1022A683-R770 WeakPolarHBondContact CB-O 3.37Å; Q729-R770 PolarHBondContact NE2-O 3.44Å; I731-R770 HydrophobicContact CD1-CG 4.37Å; D732-R770 IonicContact OD1-CZ 3.63Å; D732-R770 IonicContact OD1-NH1 3.21Å; D732-R770 PolarHBondContact OD1-NH1 2.9Å; D732-R770 IonicContact OD1-NH2 2.64Å; D732-R770 PolarHBondContact OD1-NH2 2.97Å; D732-R770 IonicContact OD2-CZ 2.97Å; D732-R770 IonicContact OD2-NH1 3.8Å; D732-R770 IonicContact OD2-NH2 2.81Å; D732-R770 PolarHBondContact OD2-NH2 2.98Å; F768-R770 PolarHBondContact O-N 2.94Å; R770-L1022 VanDerWaalsContact NH2-CD2 3.32Å
771P96.2Very high96.6Very high29 Ų2941 Ų4119%0.18819%0.189CC..SBendcis-78.1145.6-9.936.7-35.7000109.7D682 Q773 F774D682-P771 WeakPolarHBondContact O-CD 3.37Å; P771-Q773 PolarHBondContact O-N 2.81Å; P771-F774 HydrophobicContact CG-CD2 3.72Å; P771-F774 HydrophobicContact CG-CE2 4.12Å; P771-F774 PolarHBondContact O-N 2.86Å
772K94.9Very high96.9Very high144 Ų14440.2 Ų40.263%0.62618%0.183SC*.G310 helixtrans-57.5-27.6-161.5-70.6-178.3178.3178.80114.5R775K772-R775 WeakPolarHBondContact O-CB 3.41Å; K772-R775 PolarHBondContact O-N 3.24Å
773Q95.3Very high97.1Very high129 Ų12936.7 Ų36.760%0.60317%0.169SC*.G310 helixtrans-63.5-39.5-177.863.9-81.916.600113.5P771 R775P771-Q773 PolarHBondContact O-N 2.81Å; Q773-R775 VanDerWaalsContact C-N 3.33Å; Q773-R775 PolarHBondContact O-N 3.25Å
774F96.6Very high97.3Very high32 Ų3235.3 Ų35.314%0.1416%0.162CC..G310 helixtrans-80.2-13.3-176.6-63.6-56000113.4K679 A681 F769 P771 T776 E777 I778K679-F774 HydrophobicContact CB-CE1 4.07Å; K679-F774 HydrophobicContact CB-CZ 4.06Å; K679-F774 HydrophobicContact CD-CE1 4.37Å; K679-F774 HydrophobicContact CG-CE1 4.21Å; A681-F774 HydrophobicContact CB-CD2 3.51Å; A681-F774 HydrophobicContact CB-CE2 3.39Å; A681-F774 HydrophobicContact CB-CG 4.45Å; A681-F774 HydrophobicContact CB-CZ 4.25Å; F769-F774 HydrophobicContact CE1-CB 4.18Å; P771-F774 HydrophobicContact CG-CD2 3.72Å; P771-F774 HydrophobicContact CG-CE2 4.12Å; P771-F774 PolarHBondContact O-N 2.86Å; F774-T776 VanDerWaalsContact C-N 3.26Å; F774-T776 PolarHBondContact O-N 3.4Å; F774-E777 WeakPolarHBondContact CD1-OE2 3.47Å; F774-E777 WeakPolarHBondContact O-CA 3.29Å; F774-E777 WeakPolarHBondContact O-CB 3.36Å; F774-E777 PolarHBondContact O-N 3.48Å; F774-I778 HydrophobicContact CB-CG1 4.39Å; F774-I778 WeakPolarHBondContact O-CG1 3.37Å; F774-I778 PolarHBondContact O-N 2.63Å
775R96.7Very high97.3Very high63 Ų6334.7 Ų34.724%0.23816%0.159CC..Hα-helixtrans-47.2-44.3-174.4-173.9176.184.1-132.3-4.9114.1Y767 F769 K772 Q773 I778 Y779Y767-R775 VanDerWaalsContact O-CD 3.3Å; Y767-R775 WeakPolarHBondContact O-CD 3.38Å; Y767-R775 PolarHBondContact O-NH1 3.24Å; F769-R775 HydrophobicContact CB-CB 4.14Å; F769-R775 HydrophobicContact CB-CG 3.76Å; F769-R775 HydrophobicContact CD1-CB 3.82Å; F769-R775 HydrophobicContact CD1-CG 4.33Å; F769-R775 HydrophobicContact CG-CB 4.31Å; F769-R775 HydrophobicContact CG-CG 4.31Å; K772-R775 WeakPolarHBondContact O-CB 3.41Å; K772-R775 PolarHBondContact O-N 3.24Å; Q773-R775 VanDerWaalsContact C-N 3.33Å; Q773-R775 PolarHBondContact O-N 3.25Å; R775-I778 PolarHBondContact O-N 2.87Å; R775-Y779 VanDerWaalsContact CD-OH 3.29Å; R775-Y779 WeakPolarHBondContact CD-OH 3.46Å; R775-Y779 HydrophobicContact CG-CD2 4.39Å; R775-Y779 HydrophobicContact CG-CE1 4.04Å; R775-Y779 HydrophobicContact CG-CE2 3.63Å; R775-Y779 VanDerWaalsContact CG-CZ 3.41Å; R775-Y779 WeakPolarHBondContact CG-OH 3.49Å; R775-Y779 WeakPolarHBondContact O-CD2 3.22Å; R775-Y779 VanDerWaalsContact O-CG 3.25Å; R775-Y779 PolarHBondContact O-N 2.69Å; R775-Y779 VanDerWaalsContact O-N 3.14Å
776T97.2Very high97.4Very high50 Ų5033.7 Ų33.731%0.30715%0.151SC..Hα-helixtrans-70.9-37.6179.2-63.40000112.4F774 I778 H780F774-T776 VanDerWaalsContact C-N 3.26Å; F774-T776 PolarHBondContact O-N 3.4Å; T776-I778 VanDerWaalsContact C-N 3.35Å; T776-H780 PolarHBondContact O-CD2 2.74Å; T776-H780 PolarHBondContact O-N 2.98Å; T776-H780 VanDerWaalsContact O-N 3.11Å
777E97.5Very high97.4Very high60 Ų6033.9 Ų33.928%0.2815%0.152SC..Hα-helixtrans-66.7-38.4175.5-64.1-173.891.600110.7F675 K679 F774 H780 E781F675-E777 HydrophobicContact CE1-CB 3.98Å; F675-E777 HydrophobicContact CE2-CB 4.46Å; F675-E777 HydrophobicContact CZ-CB 3.55Å; F675-E777 HydrophobicContact CZ-CG 4.25Å; K679-E777 IonicContact NZ-OE1 3.04Å; K679-E777 PolarHBondContact NZ-OE1 3.48Å; K679-E777 IonicContact NZ-OE2 3.29Å; K679-E777 PolarHBondContact NZ-OE2 2.62Å; F774-E777 WeakPolarHBondContact CD1-OE2 3.47Å; F774-E777 WeakPolarHBondContact O-CA 3.29Å; F774-E777 WeakPolarHBondContact O-CB 3.36Å; F774-E777 PolarHBondContact O-N 3.48Å; E777-H780 CarbonylContact O-C 3.47Å; E777-H780 WeakPolarHBondContact O-CA 3.43Å; E777-H780 WeakPolarHBondContact O-CB 3.4Å; E777-H780 PolarHBondContact O-N 2.91Å; E777-H780 VanDerWaalsContact O-N 3.07Å; E777-E781 WeakPolarHBondContact O-CG 3.3Å; E777-E781 PolarHBondContact O-N 2.97Å
778I97.5Very high97.5Very high0 Ų034 Ų340%016%0.155CC..Hα-helixtrans-63.7-43.2176.4-60.6-65.7000112.2V672 F675 L676 F738 F769 F774 R775 T776 H780 E781 L782V672-I778 HydrophobicContact CG1-CD1 3.89Å; V672-I778 HydrophobicContact CG1-CG2 3.91Å; F675-I778 HydrophobicContact CD1-CD1 3.68Å; F675-I778 HydrophobicContact CE1-CD1 3.89Å; L676-I778 HydrophobicContact CD1-CD1 4.03Å; L676-I778 HydrophobicContact CD2-CD1 3.55Å; L676-I778 HydrophobicContact CD2-CG1 4.29Å; L676-I778 HydrophobicContact CG-CD1 3.6Å; F738-I778 HydrophobicContact CE2-CG2 4.33Å; F738-I778 HydrophobicContact CZ-CG2 4.35Å; F769-I778 HydrophobicContact CE1-CG1 4.04Å; F769-I778 HydrophobicContact CE2-CG1 4.32Å; F769-I778 HydrophobicContact CE2-CG2 4.47Å; F769-I778 HydrophobicContact CZ-CD1 4.44Å; F769-I778 HydrophobicContact CZ-CG1 3.8Å; F774-I778 HydrophobicContact CB-CG1 4.39Å; F774-I778 WeakPolarHBondContact O-CG1 3.37Å; F774-I778 PolarHBondContact O-N 2.63Å; R775-I778 PolarHBondContact O-N 2.87Å; T776-I778 VanDerWaalsContact C-N 3.35Å; I778-H780 PolarHBondContact O-N 2.97Å; I778-E781 PolarHBondContact O-N 2.95Å; I778-E781 VanDerWaalsContact O-N 3.17Å; I778-L782 HydrophobicContact CG2-CD1 4.16Å; I778-L782 WeakPolarHBondContact O-CD1 3.39Å; I778-L782 WeakPolarHBondContact O-CG 3.23Å; I778-L782 PolarHBondContact O-N 2.84Å
779Y98.5Very high97.6Very high10 Ų1034 Ų344%0.03915%0.154CC..Hα-helixtrans-61.5-32.8172-60-20.1000112.4F738 F739 S765 R775 L782 L783 W831F738-Y779 AromaticContact CD2-CE1 3.81Å; F738-Y779 HydrophobicContact CD2-CE1 3.81Å; F738-Y779 HydrophobicContact CE2-CD1 4.47Å; F738-Y779 AromaticContact CE2-CE1 3.86Å; F738-Y779 HydrophobicContact CE2-CE1 3.86Å; F739-Y779 HydrophobicContact CB-CD1 4.39Å; F739-Y779 HydrophobicContact CB-CE1 4.05Å; F739-Y779 AromaticContact CD2-CD1 3.42Å; F739-Y779 HydrophobicContact CD2-CD1 3.42Å; F739-Y779 VanDerWaalsContact CD2-CD1 3.42Å; F739-Y779 AromaticContact CD2-CE1 3.72Å; F739-Y779 HydrophobicContact CD2-CE1 3.72Å; F739-Y779 HydrophobicContact CD2-CG 4.04Å; F739-Y779 AromaticContact CE2-CD1 3.99Å; F739-Y779 HydrophobicContact CE2-CD1 3.99Å; F739-Y779 HydrophobicContact CE2-CG 4.22Å; F739-Y779 HydrophobicContact CG-CD1 4.2Å; F739-Y779 HydrophobicContact CG-CE1 4.31Å; S765-Y779 VanDerWaalsContact CB-CZ 3.5Å; S765-Y779 WeakPolarHBondContact CB-OH 3.42Å; R775-Y779 VanDerWaalsContact CD-OH 3.29Å; R775-Y779 WeakPolarHBondContact CD-OH 3.46Å; R775-Y779 HydrophobicContact CG-CD2 4.39Å; R775-Y779 HydrophobicContact CG-CE1 4.04Å; R775-Y779 HydrophobicContact CG-CE2 3.63Å; R775-Y779 VanDerWaalsContact CG-CZ 3.41Å; R775-Y779 WeakPolarHBondContact CG-OH 3.49Å; R775-Y779 WeakPolarHBondContact O-CD2 3.22Å; R775-Y779 VanDerWaalsContact O-CG 3.25Å; R775-Y779 PolarHBondContact O-N 2.69Å; R775-Y779 VanDerWaalsContact O-N 3.14Å; Y779-L782 HydrophobicContact CD1-CD1 4.38Å; Y779-L783 PolarHBondContact O-N 3.24Å; Y779-W831 HydrophobicContact CD2-CZ2 4.2Å; Y779-W831 HydrophobicContact CG-CZ2 4.43Å
780H98.6Very high97.6Very high6 Ų634 Ų343%0.02815%0.154CC..Hα-helixtrans-72.9-39.2172.8-68.6-172.2000111.7T776 E777 I778 L782 L783 V784 W831 K834 M835T776-H780 PolarHBondContact O-CD2 2.74Å; T776-H780 PolarHBondContact O-N 2.98Å; T776-H780 VanDerWaalsContact O-N 3.11Å; E777-H780 CarbonylContact O-C 3.47Å; E777-H780 WeakPolarHBondContact O-CA 3.43Å; E777-H780 WeakPolarHBondContact O-CB 3.4Å; E777-H780 PolarHBondContact O-N 2.91Å; E777-H780 VanDerWaalsContact O-N 3.07Å; I778-H780 PolarHBondContact O-N 2.97Å; H780-L782 VanDerWaalsContact C-N 3.34Å; H780-L782 PolarHBondContact O-N 3.42Å; H780-L783 PolarHBondContact O-N 3.04Å; H780-V784 VanDerWaalsContact O-CB 3.29Å; H780-V784 WeakPolarHBondContact O-CB 3.28Å; H780-V784 WeakPolarHBondContact O-CG2 3.27Å; H780-V784 PolarHBondContact O-N 2.99Å; H780-W831 AromaticContact CD2-CE2 3.69Å; H780-W831 AromaticContact CD2-CH2 3.75Å; H780-W831 AromaticContact CD2-CZ2 3.45Å; H780-W831 VanDerWaalsContact CD2-CZ2 3.45Å; H780-W831 WeakPolarHBondContact CD2-CZ2 3.42Å; H780-W831 PolarHBondContact CE1-O 3.49Å; H780-W831 VanDerWaalsContact CE1-O 3.25Å; H780-W831 AromaticContact NE2-CD1 3.12Å; H780-W831 AromaticContact NE2-CD2 2.47Å; H780-W831 AromaticContact NE2-CE2 2.44Å; H780-W831 AromaticContact NE2-CE3 3.06Å; H780-W831 AromaticContact NE2-CG 2.95Å; H780-W831 AromaticContact NE2-CH2 3.51Å; H780-W831 AromaticContact NE2-CZ2 3.02Å; H780-W831 WeakPolarHBondContact NE2-CZ2 3.26Å; H780-W831 AromaticContact NE2-CZ3 3.52Å; H780-W831 AromaticContact NE2-NE1 2.84Å; H780-W831 PolarHBondContact NE2-NE1 3.39Å; H780-W831 PolarHBondContact NE2-O 3.5Å; H780-K834 WeakPolarHBondContact CE1-CB 3.02Å; H780-K834 WeakPolarHBondContact CE1-CD 3.32Å; H780-K834 WeakPolarHBondContact CE1-CG 3.49Å; H780-M835 HydrophobicContact CB-CB 4.48Å; H780-M835 HydrophobicContact CB-CG 4.13Å; H780-M835 PolarHBondContact CE1-N 2.95Å
781E98.3Very high97.7Very high10 Ų1030.9 Ų30.95%0.04714%0.143CC..Hα-helixtrans-64.9-36.1175.4-66.2-55.3167.200113.1R671 V672 F675 E777 I778 G785 K838R671-E781 IonicContact CZ-OE2 2.76Å; R671-E781 IonicContact NE-OE2 2.92Å; R671-E781 PolarHBondContact NE-OE2 3.42Å; R671-E781 IonicContact NH2-OE2 2.6Å; R671-E781 PolarHBondContact NH2-OE2 3.49Å; V672-E781 HydrophobicContact CG2-CB 4.1Å; F675-E781 HydrophobicContact CB-CG 4.03Å; F675-E781 HydrophobicContact CD1-CG 4.06Å; F675-E781 HydrophobicContact CD2-CG 3.84Å; F675-E781 WeakPolarHBondContact CD2-OE1 3.39Å; F675-E781 HydrophobicContact CE2-CG 4.31Å; F675-E781 WeakPolarHBondContact CE2-OE1 3.47Å; F675-E781 HydrophobicContact CG-CG 3.7Å; E777-E781 WeakPolarHBondContact O-CG 3.3Å; E777-E781 PolarHBondContact O-N 2.97Å; I778-E781 PolarHBondContact O-N 2.95Å; I778-E781 VanDerWaalsContact O-N 3.17Å; E781-G785 WeakPolarHBondContact O-CA 3.34Å; E781-G785 PolarHBondContact O-N 3Å; E781-K838 WeakPolarHBondContact OE1-CE 3.5Å; E781-K838 IonicContact OE1-NZ 2.93Å; E781-K838 PolarHBondContact OE1-NZ 3.39Å; E781-K838 IonicContact OE2-NZ 3.76Å; E781-K838 PolarHBondContact OE2-NZ 2.89Å
782L98.4Very high97.8Very high3 Ų334.8 Ų34.82%0.01616%0.162CC..Hα-helixtrans-59.9-52.8172.6-78.5159.2000111.6V672 I688 A727 F739 I778 Y779 H780 G785 Y786V672-L782 HydrophobicContact CG2-CD2 4.24Å; V672-L782 HydrophobicContact CG2-CG 4.1Å; I688-L782 HydrophobicContact CD1-CD2 3.42Å; I688-L782 VanDerWaalsContact CD1-CD2 3.42Å; I688-L782 HydrophobicContact CG1-CD2 4.28Å; A727-L782 HydrophobicContact CB-CD1 4.29Å; A727-L782 HydrophobicContact CB-CD2 4.39Å; F739-L782 HydrophobicContact CB-CD1 4.4Å; F739-L782 HydrophobicContact CD1-CD1 3.71Å; F739-L782 HydrophobicContact CD2-CD1 4.19Å; F739-L782 HydrophobicContact CE1-CB 4.2Å; F739-L782 HydrophobicContact CE1-CD1 3.9Å; F739-L782 HydrophobicContact CE1-CG 4.44Å; F739-L782 HydrophobicContact CE2-CD1 4.35Å; F739-L782 HydrophobicContact CG-CD1 3.85Å; F739-L782 HydrophobicContact CZ-CB 4.22Å; F739-L782 HydrophobicContact CZ-CD1 4.21Å; I778-L782 HydrophobicContact CG2-CD1 4.16Å; I778-L782 WeakPolarHBondContact O-CD1 3.39Å; I778-L782 WeakPolarHBondContact O-CG 3.23Å; I778-L782 PolarHBondContact O-N 2.84Å; Y779-L782 HydrophobicContact CD1-CD1 4.38Å; H780-L782 VanDerWaalsContact C-N 3.34Å; H780-L782 PolarHBondContact O-N 3.42Å; L782-G785 PolarHBondContact O-N 3.06Å; L782-Y786 WeakPolarHBondContact O-CB 3.03Å; L782-Y786 PolarHBondContact O-N 3.11Å
783L98.7Very high97.9Very high0 Ų029.3 Ų29.30%014%0.14CC..Hα-helixtrans-69.1-45.3-179.3-75.4173.9000113.1L741 L763 Y779 H780 G785 Y786 I787 W831 Y832 M835L741-L783 HydrophobicContact CD1-CD2 4.46Å; L741-L783 HydrophobicContact CD2-CD2 4.07Å; L763-L783 HydrophobicContact CD1-CD1 3.76Å; L763-L783 HydrophobicContact CD1-CD2 3.78Å; L763-L783 HydrophobicContact CD1-CG 4.02Å; Y779-L783 PolarHBondContact O-N 3.24Å; H780-L783 PolarHBondContact O-N 3.04Å; L783-G785 VanDerWaalsContact C-N 3.28Å; L783-G785 PolarHBondContact O-N 2.94Å; L783-Y786 PolarHBondContact O-N 3.41Å; L783-I787 WeakPolarHBondContact O-CB 3.5Å; L783-I787 VanDerWaalsContact O-CG1 3.3Å; L783-I787 WeakPolarHBondContact O-CG1 3.38Å; L783-I787 PolarHBondContact O-N 2.84Å; L783-W831 HydrophobicContact CD1-CH2 3.62Å; L783-W831 HydrophobicContact CD1-CZ3 3.58Å; L783-Y832 HydrophobicContact CD1-CE1 4.04Å; L783-M835 HydrophobicContact CB-CE 4.1Å; L783-M835 HydrophobicContact CB-CG 4.04Å; L783-M835 HydrophobicContact CB-SD 3.97Å; L783-M835 HydrophobicContact CD1-CE 4.15Å; L783-M835 HydrophobicContact CD1-CG 4.31Å
784V98.7Very high98Very high0 Ų023.5 Ų23.50%011%0.114CC..Hα-helixtrans-64.6-37176.8176.80000110.5H780 H788 M835 A839 I844H780-V784 VanDerWaalsContact O-CB 3.29Å; H780-V784 WeakPolarHBondContact O-CB 3.28Å; H780-V784 WeakPolarHBondContact O-CG2 3.27Å; H780-V784 PolarHBondContact O-N 2.99Å; V784-H788 VanDerWaalsContact O-CB 3.29Å; V784-H788 WeakPolarHBondContact O-CB 3.45Å; V784-H788 PolarHBondContact O-N 3.24Å; V784-M835 HydrophobicContact CG2-CG 3.9Å; V784-M835 HydrophobicContact CG2-SD 3.57Å; V784-M835 VanDerWaalsContact CG2-SD 3.57Å; V784-A839 HydrophobicContact CG1-CB 4.19Å; V784-A839 HydrophobicContact CG2-CB 4.08Å; V784-I844 HydrophobicContact CG1-CD1 3.45Å; V784-I844 VanDerWaalsContact CG1-CD1 3.45Å
785G98.6Very high98.1Very high0 Ų022.2 Ų22.20%011%0.108CC..Hα-helixtrans-61.6-47171.600000112.8F667 L668 E781 L782 L783 H788 Y789F667-G785 WeakPolarHBondContact CE1-O 3.45Å; L668-G785 VanDerWaalsContact CD2-C 3.41Å; E781-G785 WeakPolarHBondContact O-CA 3.34Å; E781-G785 PolarHBondContact O-N 3Å; L782-G785 PolarHBondContact O-N 3.06Å; L783-G785 VanDerWaalsContact C-N 3.28Å; L783-G785 PolarHBondContact O-N 2.94Å; G785-H788 PolarHBondContact O-N 2.73Å; G785-Y789 PolarHBondContact O-N 3.17Å
786Y98.8Very high98.2Very high2 Ų219.6 Ų19.61%0.00810%0.099CC..Hα-helixtrans-62.8-47.6178.2174.4-103000111.7L664 I725 V743 E745 V758 L782 L783 H788 Y789 A790L664-Y786 HydrophobicContact CD1-CD2 4.15Å; L664-Y786 HydrophobicContact CD2-CD2 4.44Å; L664-Y786 HydrophobicContact CD2-CE2 4.41Å; I725-Y786 HydrophobicContact CD1-CD2 3.78Å; I725-Y786 HydrophobicContact CD1-CE2 4.14Å; V743-Y786 HydrophobicContact CB-CE1 4.27Å; V743-Y786 HydrophobicContact CG1-CD1 4.3Å; V743-Y786 HydrophobicContact CG1-CE1 3.77Å; V743-Y786 HydrophobicContact CG1-CE2 4.43Å; V743-Y786 HydrophobicContact CG2-CE2 3.95Å; E745-Y786 VanDerWaalsContact CG-OH 3.3Å; E745-Y786 WeakPolarHBondContact CG-OH 3.29Å; E745-Y786 VanDerWaalsContact OE1-CE2 3.29Å; E745-Y786 WeakPolarHBondContact OE1-CE2 3.23Å; E745-Y786 PolarHBondContact OE1-OH 3.17Å; V758-Y786 HydrophobicContact CB-CE1 4.43Å; V758-Y786 HydrophobicContact CG2-CE1 4.12Å; L782-Y786 WeakPolarHBondContact O-CB 3.03Å; L782-Y786 PolarHBondContact O-N 3.11Å; L783-Y786 PolarHBondContact O-N 3.41Å; Y786-H788 VanDerWaalsContact C-N 3.28Å; Y786-H788 PolarHBondContact O-N 2.9Å; Y786-Y789 PolarHBondContact O-N 2.67Å; Y786-Y789 VanDerWaalsContact O-N 3.11Å; Y786-A790 PolarHBondContact O-N 2.73Å
787I98.6Very high98.2Very high4 Ų418.8 Ų18.82%0.0219%0.092CC..Hα-helixtrans-60.8-37.9177.3-67.8168.6000111.1L783 K791 M835 L836 I844 V845 L978L783-I787 WeakPolarHBondContact O-CB 3.5Å; L783-I787 VanDerWaalsContact O-CG1 3.3Å; L783-I787 WeakPolarHBondContact O-CG1 3.38Å; L783-I787 PolarHBondContact O-N 2.84Å; I787-K791 WeakPolarHBondContact O-CB 3.49Å; I787-K791 PolarHBondContact O-N 2.69Å; I787-M835 HydrophobicContact CD1-CE 3.94Å; I787-M835 HydrophobicContact CD1-SD 4.16Å; I787-L836 HydrophobicContact CD1-CD2 4.37Å; I787-I844 HydrophobicContact CG2-CG2 4.07Å; I787-V845 HydrophobicContact CG2-CG2 4.08Å; I787-L978 HydrophobicContact CG2-CD1 4.47Å; I787-L978 HydrophobicContact CG2-CD2 3.46Å; I787-L978 VanDerWaalsContact CG2-CD2 3.46Å
788H98.7Very high98.2Very high52 Ų5216.1 Ų16.124%0.2418%0.081CC..Hα-helixtrans-65.7-43173.9-169.4-171000112.2F667 V784 G785 Y786 K791 L792 I844F667-H788 HydrophobicContact CE1-CB 4.41Å; F667-H788 HydrophobicContact CZ-CB 4.45Å; F667-H788 AromaticContact CZ-ND1 3.79Å; V784-H788 VanDerWaalsContact O-CB 3.29Å; V784-H788 WeakPolarHBondContact O-CB 3.45Å; V784-H788 PolarHBondContact O-N 3.24Å; G785-H788 PolarHBondContact O-N 2.73Å; Y786-H788 VanDerWaalsContact C-N 3.28Å; Y786-H788 PolarHBondContact O-N 2.9Å; H788-K791 WeakPolarHBondContact O-CB 3.4Å; H788-K791 PolarHBondContact O-N 2.74Å; H788-L792 VanDerWaalsContact O-CG 3.31Å; H788-L792 WeakPolarHBondContact O-CG 3.45Å; H788-L792 PolarHBondContact O-N 2.75Å; H788-I844 HydrophobicContact CB-CD1 4Å; H788-I844 HydrophobicContact CB-CG1 4.15Å; H788-I844 HydrophobicContact CB-CG2 3.77Å
789Y98.7Very high98.3Very high18 Ų1816.9 Ų16.97%0.0718%0.084CC..Hα-helixtrans-62.5-44.9176.7-166.2-92.5000111.7K663 L664 F667 G785 Y786 K791 L792 L793 P993K663-Y789 WeakPolarHBondContact CB-OH 3.47Å; L664-Y789 HydrophobicContact CB-CD1 4.25Å; L664-Y789 HydrophobicContact CB-CE1 3.86Å; L664-Y789 HydrophobicContact CB-CE2 4.46Å; L664-Y789 HydrophobicContact CD1-CD1 3.63Å; L664-Y789 HydrophobicContact CD1-CD2 4.26Å; L664-Y789 HydrophobicContact CD1-CE1 4.14Å; L664-Y789 HydrophobicContact CD1-CG 3.68Å; L664-Y789 HydrophobicContact CG-CD1 4.4Å; L664-Y789 HydrophobicContact CG-CE1 4.47Å; F667-Y789 HydrophobicContact CB-CD2 3.91Å; F667-Y789 HydrophobicContact CB-CE2 4.12Å; F667-Y789 AromaticContact CD1-CD2 3.73Å; F667-Y789 HydrophobicContact CD1-CD2 3.73Å; F667-Y789 HydrophobicContact CD1-CG 4.34Å; F667-Y789 HydrophobicContact CD2-CD2 4.18Å; F667-Y789 HydrophobicContact CE1-CD2 4.24Å; F667-Y789 AromaticContact CG-CD2 3.69Å; F667-Y789 HydrophobicContact CG-CD2 3.69Å; F667-Y789 HydrophobicContact CG-CE2 4.3Å; G785-Y789 PolarHBondContact O-N 3.17Å; Y786-Y789 PolarHBondContact O-N 2.67Å; Y786-Y789 VanDerWaalsContact O-N 3.11Å; Y789-K791 PolarHBondContact O-N 3.35Å; Y789-L792 PolarHBondContact O-N 3.37Å; Y789-L793 HydrophobicContact CD1-CD1 4.01Å; Y789-L793 HydrophobicContact CD1-CG 4.16Å; Y789-L793 HydrophobicContact CE1-CD1 3.64Å; Y789-L793 HydrophobicContact CE1-CD2 4.27Å; Y789-L793 HydrophobicContact CE1-CG 3.93Å; Y789-L793 PolarHBondContact O-N 2.92Å; Y789-P993 WeakPolarHBondContact OH-CG 3.33Å
790A98.2Very high98.3Very high0 Ų016.6 Ų16.60%08%0.083CC..Hα-helixtrans-59.8-44174.500000112.1V758 Y786 L792 L793 G794 F795V758-A790 HydrophobicContact CG1-CB 4.09Å; V758-A790 HydrophobicContact CG2-CB 4.37Å; Y786-A790 PolarHBondContact O-N 2.73Å; A790-L792 VanDerWaalsContact C-N 3.32Å; A790-L792 PolarHBondContact O-N 3.25Å; A790-L793 PolarHBondContact O-N 3.47Å; A790-G794 PolarHBondContact O-N 3.21Å; A790-F795 HydrophobicContact CB-CB 4.17Å; A790-F795 HydrophobicContact CB-CD2 3.98Å; A790-F795 HydrophobicContact CB-CG 4.33Å; A790-F795 WeakPolarHBondContact O-CB 3.16Å; A790-F795 WeakPolarHBondContact O-CD2 3.38Å; A790-F795 PolarHBondContact O-N 3.44Å
791K97.8Very high98.1Very high37 Ų3719.7 Ų19.716%0.16110%0.095CC..Hα-helixtrans-56.7-43.9173.6175167.5175.6156.70112.4I787 H788 Y789 G794 R843 I844 L978 H979I787-K791 WeakPolarHBondContact O-CB 3.49Å; I787-K791 PolarHBondContact O-N 2.69Å; H788-K791 WeakPolarHBondContact O-CB 3.4Å; H788-K791 PolarHBondContact O-N 2.74Å; Y789-K791 PolarHBondContact O-N 3.35Å; K791-G794 PolarHBondContact O-N 3.35Å; K791-R843 PolarHBondContact NZ-O 2.72Å; K791-R843 VanDerWaalsContact NZ-O 3.08Å; K791-I844 WeakPolarHBondContact CD-O 3.5Å; K791-I844 WeakPolarHBondContact CE-O 3.33Å; K791-I844 PolarHBondContact NZ-O 2.98Å; K791-L978 HydrophobicContact CB-CB 4.14Å; K791-L978 HydrophobicContact CB-CD1 4.27Å; K791-L978 HydrophobicContact CD-CB 4.29Å; K791-L978 VanDerWaalsContact CD-O 3.29Å; K791-L978 WeakPolarHBondContact CD-O 3.4Å; K791-L978 WeakPolarHBondContact CE-O 3.27Å; K791-L978 HydrophobicContact CG-CB 4.26Å; K791-L978 PolarHBondContact NZ-O 2.92Å; K791-H979 PolarHBondContact O-NE2 2.82Å
792L97.5Very high97.9Very high110 Ų11019.2 Ų19.258%0.5769%0.093SC*.Hα-helixtrans-68-31.4179.2-69.7169.6000113F667 H788 Y789 A790 G794F667-L792 HydrophobicContact CE2-CD1 4.12Å; F667-L792 HydrophobicContact CZ-CD1 4.05Å; H788-L792 VanDerWaalsContact O-CG 3.31Å; H788-L792 WeakPolarHBondContact O-CG 3.45Å; H788-L792 PolarHBondContact O-N 2.75Å; Y789-L792 PolarHBondContact O-N 3.37Å; A790-L792 VanDerWaalsContact C-N 3.32Å; A790-L792 PolarHBondContact O-N 3.25Å; L792-G794 VanDerWaalsContact C-N 3.26Å; L792-G794 PolarHBondContact O-N 3.41Å
793L97.5Very high97.6Very high30 Ų3021.1 Ų21.116%0.15711%0.106CC..Hα-helixtrans-74-13.7172.2-68.9-171.3000113.9Y789 A790 F795 I990 P993Y789-L793 HydrophobicContact CD1-CD1 4.01Å; Y789-L793 HydrophobicContact CD1-CG 4.16Å; Y789-L793 HydrophobicContact CE1-CD1 3.64Å; Y789-L793 HydrophobicContact CE1-CD2 4.27Å; Y789-L793 HydrophobicContact CE1-CG 3.93Å; Y789-L793 PolarHBondContact O-N 2.92Å; A790-L793 PolarHBondContact O-N 3.47Å; L793-F795 HydrophobicContact CB-CD2 3.99Å; L793-F795 HydrophobicContact CB-CE2 4.05Å; L793-F795 HydrophobicContact CD1-CE2 4.07Å; L793-I990 HydrophobicContact CB-CG2 4.37Å; L793-P993 HydrophobicContact CD2-CG 4.38Å
794G97.4Very high97Very high6 Ų622.1 Ų22.16%0.06211%0.112CC..THydrogen-bonded Turntrans9520.8-179.500000115.1R756 A790 K791 L792R756-G794 PolarHBondContact NH1-O 2.95Å; A790-G794 PolarHBondContact O-N 3.21Å; K791-G794 PolarHBondContact O-N 3.35Å; L792-G794 VanDerWaalsContact C-N 3.26Å; L792-G794 PolarHBondContact O-N 3.41Å
795F98.4Very high96.4Very high5 Ų523.4 Ų23.42%0.02212%0.121CC..  trans-69.9139.4161.4-66.5-87.3000109.6E745 Y746 R756 V758 A790 L793 H979 I990E745-F795 HydrophobicContact CB-CE1 3.99Å; E745-F795 HydrophobicContact CB-CZ 3.76Å; E745-F795 HydrophobicContact CG-CZ 4.32Å; Y746-F795 WeakPolarHBondContact O-CE1 3.42Å; R756-F795 CarbonylContact O-C 3.58Å; R756-F795 WeakPolarHBondContact O-CA 3.34Å; V758-F795 HydrophobicContact CG1-CB 4.08Å; V758-F795 HydrophobicContact CG1-CD1 3.41Å; V758-F795 VanDerWaalsContact CG1-CD1 3.41Å; V758-F795 HydrophobicContact CG1-CD2 4.04Å; V758-F795 HydrophobicContact CG1-CE1 3.78Å; V758-F795 HydrophobicContact CG1-CE2 4.36Å; V758-F795 HydrophobicContact CG1-CG 3.57Å; V758-F795 HydrophobicContact CG1-CZ 4.25Å; A790-F795 HydrophobicContact CB-CB 4.17Å; A790-F795 HydrophobicContact CB-CD2 3.98Å; A790-F795 HydrophobicContact CB-CG 4.33Å; A790-F795 WeakPolarHBondContact O-CB 3.16Å; A790-F795 WeakPolarHBondContact O-CD2 3.38Å; A790-F795 PolarHBondContact O-N 3.44Å; L793-F795 HydrophobicContact CB-CD2 3.99Å; L793-F795 HydrophobicContact CB-CE2 4.05Å; L793-F795 HydrophobicContact CD1-CE2 4.07Å; F795-H979 PolarHBondContact O-CD2 2.87Å; F795-H979 VanDerWaalsContact O-CD2 3.27Å; F795-I990 HydrophobicContact CB-CD1 4.48Å; F795-I990 HydrophobicContact CD1-CD1 3.61Å; F795-I990 HydrophobicContact CD2-CD1 3.91Å; F795-I990 HydrophobicContact CE1-CD1 3.66Å; F795-I990 HydrophobicContact CE2-CD1 3.96Å; F795-I990 HydrophobicContact CE2-CG2 3.93Å; F795-I990 HydrophobicContact CG-CD1 3.73Å; F795-I990 HydrophobicContact CZ-CD1 3.82Å; F795-I990 HydrophobicContact CZ-CG2 4.04Å
796T97.9Very high95.4Very high8 Ų827.1 Ų27.15%0.04915%0.146CC..  trans-97.4-31.9-171.4540000112.7R756 L978 V984 L987R756-T796 HydrophobicContact CB-CG2 3.9Å; R756-T796 HydrophobicContact CG-CG2 4.48Å; R756-T796 PolarHBondContact O-N 2.86Å; R756-T796 PolarHBondContact O-OG1 2.69Å; T796-L978 WeakPolarHBondContact O-CB 3.32Å; T796-L978 PolarHBondContact O-N 3.13Å; T796-V984 HydrophobicContact CG2-CB 4.4Å; T796-V984 HydrophobicContact CG2-CG1 3.7Å; T796-V984 HydrophobicContact CG2-CG2 3.99Å; T796-L987 HydrophobicContact CG2-CD1 3.71Å
797M97.4Very high94.1Very high33 Ų3333.8 Ų33.816%0.16318%0.178CC..EExtended strand (participates in β ladder)trans-140.6144.4-175.3-69.8172.2-82.900111.5R757 V758 I976 R977R757-M797 WeakPolarHBondContact CA-O 3.48Å; R757-M797 HydrophobicContact CG-CB 4.42Å; R757-M797 HydrophobicContact CG-CE 4.32Å; V758-M797 PolarHBondContact N-O 3Å; M797-I976 CarbonylContact C-O 3.24Å; M797-I976 WeakPolarHBondContact CA-O 3.25Å; M797-R977 HydrophobicContact CG-CG 4.32Å
798A98.4Very high92.8Very high4 Ų435.5 Ų35.53%0.03320%0.197CC..EExtended strand (participates in β ladder)trans-113.9147.6167.500000110.5V758 I976 L978V758-A798 HydrophobicContact CG2-CB 3.51Å; V758-A798 CarbonylContact O-C 3.58Å; V758-A798 WeakPolarHBondContact O-CA 3.24Å; A798-I976 HydrophobicContact CB-CB 4.14Å; A798-I976 HydrophobicContact CB-CD1 4.13Å; A798-I976 PolarHBondContact N-O 2.97Å; A798-I976 WeakPolarHBondContact O-CB 3.36Å; A798-I976 PolarHBondContact O-N 3.23Å; A798-L978 HydrophobicContact CB-CD1 4.49Å; A798-L978 HydrophobicContact CB-CD2 4.45Å
799H98.6Very high92Very high16 Ų1635.7 Ų35.77%0.07420%0.199CC..EExtended strand (participates in β ladder)trans-127.1135.1-177.4-70.2-93.9000110.4R757 V758 Y759 V760 F869 F974R757-H799 PolarHBondContact NH1-CE1 3.14Å; R757-H799 PolarHBondContact NH1-NE2 3.47Å; V758-H799 PolarHBondContact O-N 2.91Å; Y759-H799 HydrophobicContact CD2-CB 3.85Å; V760-H799 PolarHBondContact N-O 3.1Å; H799-F869 HydrophobicContact CB-CE2 3.67Å; H799-F869 HydrophobicContact CB-CZ 4.11Å; H799-F869 AromaticContact CD2-CZ 3.7Å; H799-F869 AromaticContact CG-CE2 3.56Å; H799-F869 AromaticContact CG-CZ 3.72Å; H799-F869 AromaticContact ND1-CE2 3.92Å; H799-F974 WeakPolarHBondContact CA-O 3.34Å
800I98.2Very high91.4Very high5 Ų535.7 Ų35.73%0.02620%0.201CC..EExtended strand (participates in β ladder)trans-136120.9177-55.7179.6000109.4V760 Y832 M835 F974 I976V760-I800 HydrophobicContact CB-CG1 4.26Å; V760-I800 HydrophobicContact CG2-CD1 4.48Å; V760-I800 HydrophobicContact CG2-CG1 3.99Å; I800-Y832 HydrophobicContact CD1-CD1 3.83Å; I800-Y832 HydrophobicContact CD1-CE1 3.91Å; I800-Y832 HydrophobicContact CG2-CD1 4Å; I800-Y832 HydrophobicContact CG2-CD2 4.18Å; I800-Y832 HydrophobicContact CG2-CE1 3.65Å; I800-Y832 HydrophobicContact CG2-CE2 3.84Å; I800-Y832 HydrophobicContact CG2-CG 4.26Å; I800-M835 HydrophobicContact CD1-CE 3.98Å; I800-F974 HydrophobicContact CB-CB 4.3Å; I800-F974 PolarHBondContact N-O 3.43Å; I800-F974 VanDerWaalsContact N-O 3.12Å; I800-F974 PolarHBondContact O-N 3.35Å; I800-I976 HydrophobicContact CD1-CD1 3.73Å; I800-I976 HydrophobicContact CG1-CD1 3.84Å
801W96.2Very high91.1Very high70 Ų7037.4 Ų37.427%0.26521%0.207SC..EExtended strand (participates in β ladder)trans-90.1112.5164.1178.827.6000109.2Y759 C803 F873 N972 F973Y759-W801 HydrophobicContact CE2-CB 4.31Å; W801-C803 HydrophobicContact CD2-CB 3.96Å; W801-C803 HydrophobicContact CG-CB 4.28Å; W801-C803 HydrophobicContact CZ2-CB 3.9Å; W801-C803 PolarHBondContact O-N 3.28Å; W801-F873 HydrophobicContact CD2-CB 4.28Å; W801-F873 HydrophobicContact CE3-CB 4.44Å; W801-F873 HydrophobicContact CH2-CB 4.08Å; W801-F873 HydrophobicContact CZ2-CB 3.88Å; W801-F873 HydrophobicContact CZ2-CD2 4.13Å; W801-F873 HydrophobicContact CZ2-CG 4.39Å; W801-F873 HydrophobicContact CZ3-CB 4.35Å; W801-N972 CarbonylContact C-O 3.51Å; W801-N972 WeakPolarHBondContact CA-O 3.31Å; W801-F973 HydrophobicContact CB-CD1 4.13Å; W801-F973 HydrophobicContact CB-CE1 4Å; W801-F973 AromaticContact CD1-CD1 3.79Å; W801-F973 AromaticContact CD1-CE1 3.2Å; W801-F973 AromaticContact CD1-CZ 3.52Å; W801-F973 HydrophobicContact CD2-CE1 4.12Å; W801-F973 HydrophobicContact CG-CD1 4.1Å; W801-F973 AromaticContact CG-CE1 3.53Å; W801-F973 HydrophobicContact CG-CE1 3.53Å; W801-F973 HydrophobicContact CG-CZ 4.22Å; W801-F973 AromaticContact NE1-CE1 3.65Å; W801-F973 AromaticContact NE1-CZ 3.52Å
802A94.3Very high91Very high0 Ų035.7 Ų35.70%020%0.2CC..  trans-82.349.8-176.400000112.8L828 Q829 Y832 N972 F974A802-L828 HydrophobicContact CB-CG 4.39Å; A802-Q829 HydrophobicContact CB-CG 4.35Å; A802-Y832 HydrophobicContact CB-CD2 3.73Å; A802-Y832 HydrophobicContact CB-CE2 3.92Å; A802-N972 PolarHBondContact N-O 2.79Å; A802-F974 HydrophobicContact CB-CD2 4.29Å; A802-F974 HydrophobicContact CB-CE2 3.85Å
803C90.6Very high90.9Very high43 Ų4330.4 Ų30.429%0.29117%0.172SC..PPolyproline II helixtrans-85.7120.7174.4-164.10000111W801 Y811W801-C803 HydrophobicContact CD2-CB 3.96Å; W801-C803 HydrophobicContact CG-CB 4.28Å; W801-C803 HydrophobicContact CZ2-CB 3.9Å; W801-C803 PolarHBondContact O-N 3.28Å; C803-Y811 WeakPolarHBondContact O-CE2 3.4Å; C803-Y811 PolarHBondContact O-OH 3.48Å
804P87.6Confident90.7Very high21 Ų2129.8 Ų29.814%0.13617%0.169CC..PPolyproline II helixtrans-71.7155.4163.632.3-33.1000110.2Y811 I822 P823 P825 L828P804-Y811 PolarHBondContact O-OH 2.67Å; P804-I822 HydrophobicContact CB-CG2 4.06Å; P804-P823 WeakPolarHBondContact CB-O 3.23Å; P804-P825 HydrophobicContact CG-CG 3.92Å; P804-L828 HydrophobicContact CB-CD2 4.12Å
805P84.1Confident90.3Very high28 Ų2831.2 Ų31.218%0.18217%0.174CC..PPolyproline II helixtrans-63.5156.7174.427.5-34.2000111.3D809 Y811 I822P805-D809 HydrophobicContact CB-CB 4.49Å; P805-Y811 HydrophobicContact CB-CD1 4.04Å; P805-Y811 HydrophobicContact CB-CD2 4.28Å; P805-Y811 HydrophobicContact CB-CE1 3.9Å; P805-Y811 HydrophobicContact CB-CE2 4.17Å; P805-Y811 HydrophobicContact CB-CG 4.23Å; P805-Y811 HydrophobicContact CG-CD2 4.35Å; P805-Y811 HydrophobicContact CG-CE2 4.32Å; P805-I822 HydrophobicContact CG-CD1 4.36Å; P805-I822 HydrophobicContact CG-CG2 4.01Å
806S78.7Confident90Very high77 Ų7732.2 Ų32.254%0.53818%0.179SC..PPolyproline II helixtrans-66.3158.4173.7-71.30000111.3G808 D809S806-G808 PolarHBondContact O-N 3.37Å; S806-D809 PolarHBondContact O-N 3.11Å
807E72.2Confident89.8Confident142 Ų14232 Ų3266%0.66418%0.178SC*.THydrogen-bonded Turntrans-64.4113.2178.3-62.7-171165.400109.8Y544 K824Y544-E807 WeakPolarHBondContact CE1-O 3.05Å; E807-K824 IonicContact OE1-NZ 2.67Å; E807-K824 PolarHBondContact OE1-NZ 2.95Å
808G70.6Confident89.3Confident41 Ų4136 Ų3642%0.42321%0.206SC..THydrogen-bonded Turntrans88.49.9-174.700000116.1S806S806-G808 PolarHBondContact O-N 3.37Å
809D81Confident89Confident55 Ų5540.2 Ų40.229%0.29423%0.228SC..  trans-101.3143.7164.2-175.929000110P805 S806 R1005P805-D809 HydrophobicContact CB-CB 4.49Å; S806-D809 PolarHBondContact O-N 3.11Å; D809-R1005 IonicContact OD1-CZ 2.74Å; D809-R1005 IonicContact OD1-NH1 2.77Å; D809-R1005 IonicContact OD1-NH2 3.39Å; D809-R1005 PolarHBondContact OD1-NH2 2.98Å; D809-R1005 VanDerWaalsContact OD1-NH2 3.17Å; D809-R1005 IonicContact OD2-NH2 2.88Å; D809-R1005 PolarHBondContact OD2-NH2 3.16Å; D809-R1005 VanDerWaalsContact OD2-NH2 3.11Å
810D87.7Confident88.8Confident19 Ų1941.1 Ų41.110%0.10223%0.232CC..  trans-114.5132.3175.6-62.4-61.2000107.5F813 H814 M815 H816 R1005 L1009D810-F813 WeakPolarHBondContact CB-O 3.41Å; D810-H814 IonicContact OD2-ND1 2.62Å; D810-H814 PolarHBondContact OD2-ND1 2.87Å; D810-M815 PolarHBondContact OD1-N 3.5Å; D810-M815 WeakPolarHBondContact OD2-CA 3.28Å; D810-M815 PolarHBondContact OD2-N 3.14Å; D810-H816 IonicContact OD1-CE1 3.73Å; D810-H816 IonicContact OD1-CG 2.78Å; D810-H816 PolarHBondContact OD1-N 2.98Å; D810-H816 IonicContact OD1-ND1 3.89Å; D810-H816 PolarHBondContact OD1-ND1 3.23Å; D810-R1005 PolarHBondContact O-NH1 3.01Å; D810-L1009 HydrophobicContact CB-CD2 4.17Å; D810-L1009 WeakPolarHBondContact O-CD1 3.22Å
811Y91.9Very high88.6Confident35 Ų3549.4 Ų49.414%0.13727%0.268CS..SBendtrans-74.8-45.1-178-82.7-27.3000113Y762 L763 D764 C803 P804 P805 R1005Y762-Y811 AromaticContact CD1-CD1 3.72Å; Y762-Y811 HydrophobicContact CD1-CD1 3.72Å; Y762-Y811 HydrophobicContact CD1-CE1 4.13Å; Y762-Y811 AromaticContact CD1-CG 3.97Å; Y762-Y811 HydrophobicContact CD1-CG 3.97Å; Y762-Y811 AromaticContact CE1-CD1 3.99Å; Y762-Y811 HydrophobicContact CE1-CD1 3.99Å; Y762-Y811 HydrophobicContact CE1-CE1 4.14Å; L763-Y811 WeakPolarHBondContact O-CD2 3.45Å; D764-Y811 PolarHBondContact OD2-N 3.32Å; C803-Y811 WeakPolarHBondContact O-CE2 3.4Å; C803-Y811 PolarHBondContact O-OH 3.48Å; P804-Y811 PolarHBondContact O-OH 2.67Å; P805-Y811 HydrophobicContact CB-CD1 4.04Å; P805-Y811 HydrophobicContact CB-CD2 4.28Å; P805-Y811 HydrophobicContact CB-CE1 3.9Å; P805-Y811 HydrophobicContact CB-CE2 4.17Å; P805-Y811 HydrophobicContact CB-CG 4.23Å; P805-Y811 HydrophobicContact CG-CD2 4.35Å; P805-Y811 HydrophobicContact CG-CE2 4.32Å; Y811-R1005 WeakPolarHBondContact O-CB 3.45Å; Y811-R1005 WeakPolarHBondContact O-CD 3.5Å; Y811-R1005 PolarHBondContact O-NH1 3.19Å
812I94.7Very high88.3Confident1 Ų149.4 Ų49.41%0.00527%0.273CS..SBendtrans-137.7-43.8-179-52.7172.1000110.7F726 D764 H814 F1008 L1009F726-I812 HydrophobicContact CE1-CG2 3.7Å; F726-I812 HydrophobicContact CZ-CG2 3.7Å; D764-I812 HydrophobicContact CB-CB 3.78Å; D764-I812 HydrophobicContact CB-CD1 3.87Å; D764-I812 HydrophobicContact CB-CG1 3.8Å; D764-I812 PolarHBondContact OD2-N 2.81Å; I812-H814 PolarHBondContact O-N 2.91Å; I812-F1008 HydrophobicContact CG2-CD1 4.15Å; I812-F1008 HydrophobicContact CG2-CE1 4.48Å; I812-F1008 VanDerWaalsContact O-CD1 3.23Å; I812-F1008 WeakPolarHBondContact O-CD1 3.38Å; I812-F1008 WeakPolarHBondContact O-CE1 3.46Å; I812-L1009 VanDerWaalsContact O-CD2 3.31Å; I812-L1009 WeakPolarHBondContact O-CD2 3.35Å
813F95.5Very high88.2Confident0 Ų051.6 Ų51.60%029%0.287CS..SBendtrans-91106.5-175.5-65.2-69.5000111.5F726 C737 D764 V766 D810 M815 H816 F1019F726-F813 HydrophobicContact CD1-CZ 4.15Å; F726-F813 HydrophobicContact CE1-CE1 4.34Å; F726-F813 HydrophobicContact CE1-CZ 4.15Å; C737-F813 HydrophobicContact CB-CE1 4.25Å; D764-F813 HydrophobicContact CB-CD2 3.95Å; D764-F813 HydrophobicContact CB-CE2 4.29Å; D764-F813 PolarHBondContact OD2-N 3.42Å; V766-F813 HydrophobicContact CG1-CB 3.64Å; V766-F813 HydrophobicContact CG1-CD1 4.5Å; V766-F813 HydrophobicContact CG1-CD2 4.05Å; V766-F813 HydrophobicContact CG1-CG 3.81Å; D810-F813 WeakPolarHBondContact CB-O 3.41Å; F813-M815 PolarHBondContact O-N 2.84Å; F813-H816 PolarHBondContact O-CE1 2.84Å; F813-H816 PolarHBondContact O-ND1 2.69Å; F813-F1019 HydrophobicContact CB-CB 4.26Å; F813-F1019 HydrophobicContact CB-CD2 4.07Å; F813-F1019 HydrophobicContact CB-CG 4.08Å; F813-F1019 AromaticContact CD1-CD1 3.82Å; F813-F1019 HydrophobicContact CD1-CD1 3.82Å; F813-F1019 HydrophobicContact CD1-CD2 4.07Å; F813-F1019 AromaticContact CD1-CE1 3.73Å; F813-F1019 HydrophobicContact CD1-CE1 3.73Å; F813-F1019 AromaticContact CD1-CE2 3.98Å; F813-F1019 HydrophobicContact CD1-CE2 3.98Å; F813-F1019 HydrophobicContact CD1-CG 4Å; F813-F1019 AromaticContact CD1-CZ 3.82Å; F813-F1019 HydrophobicContact CD1-CZ 3.82Å; F813-F1019 HydrophobicContact CE1-CD1 4.47Å; F813-F1019 HydrophobicContact CE1-CE1 4.09Å; F813-F1019 HydrophobicContact CE1-CZ 4.3Å; F813-F1019 HydrophobicContact CG-CG 4.43Å
814H92.6Very high88.2Confident16 Ų1655.6 Ų55.67%0.07430%0.299CS..SBendtrans-60.1127.8-178.8-17836.8000112.5D810 I812 L1009 A1012 R1013 E1018 F1019D810-H814 IonicContact OD2-ND1 2.62Å; D810-H814 PolarHBondContact OD2-ND1 2.87Å; I812-H814 PolarHBondContact O-N 2.91Å; H814-L1009 HydrophobicContact CB-CD2 3.9Å; H814-A1012 HydrophobicContact CB-CB 3.61Å; H814-R1013 WeakPolarHBondContact NE2-CG 3.23Å; H814-E1018 CarbonylContact O-C 3.59Å; H814-E1018 WeakPolarHBondContact O-CA 3.27Å; H814-F1019 PolarHBondContact O-N 3.43Å
815M88.9Confident88.3Confident36 Ų3657.4 Ų57.418%0.17731%0.311CS..SBendtrans5486.7177.6-166.648.848.400113.5Q529 D810 F813 E1018 F1019 S1020Q529-M815 HydrophobicContact CB-CG 4.45Å; Q529-M815 HydrophobicContact CG-CG 4.47Å; Q529-M815 VanDerWaalsContact NE2-CG 3.29Å; Q529-M815 PolarHBondContact NE2-SD 2.71Å; D810-M815 PolarHBondContact OD1-N 3.5Å; D810-M815 WeakPolarHBondContact OD2-CA 3.28Å; D810-M815 PolarHBondContact OD2-N 3.14Å; F813-M815 PolarHBondContact O-N 2.84Å; M815-E1018 HydrophobicContact CB-CB 4.13Å; M815-E1018 HydrophobicContact CB-CG 4Å; M815-E1018 HydrophobicContact CG-CG 4.31Å; M815-F1019 CarbonylContact O-C 3.59Å; M815-F1019 VanDerWaalsContact O-C 3.24Å; M815-F1019 PolarHBondContact O-N 3.08Å; M815-S1020 VanDerWaalsContact O-CA 3.26Å; M815-S1020 WeakPolarHBondContact O-CA 3.18Å; M815-S1020 WeakPolarHBondContact O-CB 3.25Å; M815-S1020 PolarHBondContact O-N 2.73Å
816H92.7Very high88.8Confident26 Ų2662.6 Ų62.612%0.1233%0.331CS..  trans-59.3161.8175.1-79.888.9000115D764 S765 D810 F813 Q820D764-H816 IonicContact OD1-CE1 2.69Å; D764-H816 PolarHBondContact OD1-CE1 2.89Å; D764-H816 IonicContact OD1-NE2 3.79Å; D764-H816 PolarHBondContact OD1-NE2 2.91Å; D764-H816 IonicContact OD2-CE1 2.84Å; D764-H816 PolarHBondContact OD2-CE1 2.86Å; D764-H816 VanDerWaalsContact OD2-CE1 3.25Å; D764-H816 IonicContact OD2-NE2 2.62Å; S765-H816 PolarHBondContact O-NE2 3.34Å; D810-H816 IonicContact OD1-CE1 3.73Å; D810-H816 IonicContact OD1-CG 2.78Å; D810-H816 PolarHBondContact OD1-N 2.98Å; D810-H816 IonicContact OD1-ND1 3.89Å; D810-H816 PolarHBondContact OD1-ND1 3.23Å; F813-H816 PolarHBondContact O-CE1 2.84Å; F813-H816 PolarHBondContact O-ND1 2.69Å; H816-Q820 PolarHBondContact CD2-NE2 3.16Å
817P93.1Very high89.6Confident4 Ų466.8 Ų66.83%0.02634%0.335CS..  trans-59.8135172.6-2132.5000111.3Y767 F768 D819 Q820 S1020Y767-P817 HydrophobicContact CD1-CB 4.36Å; Y767-P817 HydrophobicContact CD1-CG 3.81Å; Y767-P817 HydrophobicContact CE1-CB 3.78Å; Y767-P817 HydrophobicContact CE1-CG 3.63Å; F768-P817 HydrophobicContact CE1-CG 4.47Å; F768-P817 HydrophobicContact CE2-CG 3.96Å; F768-P817 HydrophobicContact CZ-CG 3.63Å; P817-D819 PolarHBondContact O-N 3.37Å; P817-D819 VanDerWaalsContact O-N 3.13Å; P817-Q820 HydrophobicContact CB-CB 3.97Å; P817-Q820 HydrophobicContact CG-CB 4.19Å; P817-Q820 VanDerWaalsContact O-CB 3.27Å; P817-Q820 WeakPolarHBondContact O-CB 3.27Å; P817-Q820 PolarHBondContact O-N 3.42Å; P817-S1020 WeakPolarHBondContact CA-O 3.4Å
818P88.2Confident90.7Very high117 Ų11761 Ų6176%0.7631%0.308SS*.THydrogen-bonded Turntrans-66.6-18.8-172.526.7-35.2000113.8
819D92.6Very high91.9Very high92 Ų9259.7 Ų59.749%0.49229%0.291SS..THydrogen-bonded Turntrans-93.6-6.4172.965.6-47.2000113.6Y767 P817 K821Y767-D819 WeakPolarHBondContact CE2-OD2 3.34Å; Y767-D819 VanDerWaalsContact CZ-OD2 3.3Å; Y767-D819 PolarHBondContact OH-OD1 3.15Å; Y767-D819 PolarHBondContact OH-OD2 3.34Å; P817-D819 PolarHBondContact O-N 3.37Å; P817-D819 VanDerWaalsContact O-N 3.13Å; D819-K821 PolarHBondContact O-N 3.23Å
820Q94.2Very high92.7Very high36 Ų3661.8 Ų61.817%0.16830%0.299CS..  trans-73.891.6174.6-176.3174.4-54.600110.7S765 Y767 H816 P817 I822S765-Q820 PolarHBondContact O-NE2 3.31Å; Y767-Q820 VanDerWaalsContact CB-OE1 3.25Å; Y767-Q820 HydrophobicContact CD2-CB 4.08Å; Y767-Q820 HydrophobicContact CD2-CG 4.29Å; Y767-Q820 HydrophobicContact CE2-CB 4.4Å; Y767-Q820 HydrophobicContact CG-CB 4.39Å; Y767-Q820 HydrophobicContact CG-CG 4.38Å; H816-Q820 PolarHBondContact CD2-NE2 3.16Å; P817-Q820 HydrophobicContact CB-CB 3.97Å; P817-Q820 HydrophobicContact CG-CB 4.19Å; P817-Q820 VanDerWaalsContact O-CB 3.27Å; P817-Q820 WeakPolarHBondContact O-CB 3.27Å; P817-Q820 PolarHBondContact O-N 3.42Å; Q820-I822 PolarHBondContact O-N 3.12Å; Q820-I822 VanDerWaalsContact O-N 3.08Å
821K92.3Very high93.2Very high179 Ų17963.4 Ų63.478%0.77830%0.304SS*.  trans-64.3107.5178.7-62.7176.3-175.6176.50112D819D819-K821 PolarHBondContact O-N 3.23Å
822I91.2Very high93.5Very high70 Ų7062.3 Ų62.336%0.35930%0.299SS..PPolyproline II helixtrans-54.2129.9167.9-59.2170.1000109.1P804 P805 Q820 K824P804-I822 HydrophobicContact CB-CG2 4.06Å; P805-I822 HydrophobicContact CG-CD1 4.36Å; P805-I822 HydrophobicContact CG-CG2 4.01Å; Q820-I822 PolarHBondContact O-N 3.12Å; Q820-I822 VanDerWaalsContact O-N 3.08Å; I822-K824 PolarHBondContact O-N 3.08Å
823P91.5Very high93.7Very high46 Ų4665.1 Ų65.130%0.29931%0.313SS..PPolyproline II helixtrans-70.6128.717928.7-33.8000110.9P804 R827 L828P804-P823 WeakPolarHBondContact CB-O 3.23Å; P823-R827 HydrophobicContact CB-CB 4.32Å; P823-R827 HydrophobicContact CB-CG 4.4Å; P823-L828 HydrophobicContact CB-CB 4.3Å; P823-L828 HydrophobicContact CG-CB 4.27Å; P823-L828 HydrophobicContact CG-CD1 4.28Å
824K90.6Very high93.8Very high127 Ų12771.2 Ų71.255%0.55234%0.339SS*.PPolyproline II helixtrans-68.5151.5168.3-61.4-60.6-175.8-179.30110.1E807 I822 K826 R827 L828E807-K824 IonicContact OE1-NZ 2.67Å; E807-K824 PolarHBondContact OE1-NZ 2.95Å; I822-K824 PolarHBondContact O-N 3.08Å; K824-K826 PolarHBondContact O-N 3.36Å; K824-K826 VanDerWaalsContact O-N 3.13Å; K824-R827 WeakPolarHBondContact O-CB 3.49Å; K824-R827 PolarHBondContact O-N 3.3Å; K824-L828 PolarHBondContact O-N 2.94Å
825P90.4Very high94.1Very high58 Ų5870.5 Ų70.538%0.37734%0.336SS..Hα-helixtrans-46.5-52.4-161.9-32.835.5000115.3P804 R827 L828 Q829P804-P825 HydrophobicContact CG-CG 3.92Å; P825-R827 VanDerWaalsContact C-N 3.26Å; P825-R827 PolarHBondContact O-N 3.47Å; P825-R827 VanDerWaalsContact O-N 3.14Å; P825-L828 WeakPolarHBondContact O-CA 3.39Å; P825-L828 WeakPolarHBondContact O-CB 3.37Å; P825-L828 PolarHBondContact O-N 2.84Å; P825-Q829 WeakPolarHBondContact O-CG 3.33Å; P825-Q829 PolarHBondContact O-N 3.23Å
826K94.8Very high94.6Very high137 Ų13768.8 Ų68.860%0.59633%0.327SS*.Hα-helixtrans-52.2-39.8178.7179.8162.2-178.6158.20114.4K824 L828 Q829 E830K824-K826 PolarHBondContact O-N 3.36Å; K824-K826 VanDerWaalsContact O-N 3.13Å; K826-L828 VanDerWaalsContact C-N 3.33Å; K826-L828 PolarHBondContact O-N 3.41Å; K826-Q829 PolarHBondContact O-N 3.45Å; K826-E830 WeakPolarHBondContact CE-OE1 3.47Å; K826-E830 HydrophobicContact CG-CG 4.47Å; K826-E830 WeakPolarHBondContact CG-OE1 3.48Å; K826-E830 WeakPolarHBondContact O-CB 3.25Å; K826-E830 VanDerWaalsContact O-CG 3.27Å; K826-E830 WeakPolarHBondContact O-CG 3.47Å; K826-E830 PolarHBondContact O-N 2.99Å
827R95.5Very high94.9Very high165 Ų16572.3 Ų72.362%0.62334%0.342SS*.Hα-helixtrans-69.3-31.7177.6-172.4178.7-179.2-168.40.6112.2P823 K824 P825 W831P823-R827 HydrophobicContact CB-CB 4.32Å; P823-R827 HydrophobicContact CB-CG 4.4Å; K824-R827 WeakPolarHBondContact O-CB 3.49Å; K824-R827 PolarHBondContact O-N 3.3Å; P825-R827 VanDerWaalsContact C-N 3.26Å; P825-R827 PolarHBondContact O-N 3.47Å; P825-R827 VanDerWaalsContact O-N 3.14Å; R827-W831 VanDerWaalsContact O-CB 3.28Å; R827-W831 WeakPolarHBondContact O-CB 3.38Å; R827-W831 PolarHBondContact O-N 3.45Å; R827-W831 VanDerWaalsContact O-N 3.08Å
828L95.8Very high95.1Very high20 Ų2074.3 Ų74.311%0.10535%0.351CS..Hα-helixtrans-74.5-40.4175.9-175.857.9000111.1A802 P804 P823 K824 P825 K826 W831 Y832A802-L828 HydrophobicContact CB-CG 4.39Å; P804-L828 HydrophobicContact CB-CD2 4.12Å; P823-L828 HydrophobicContact CB-CB 4.3Å; P823-L828 HydrophobicContact CG-CB 4.27Å; P823-L828 HydrophobicContact CG-CD1 4.28Å; K824-L828 PolarHBondContact O-N 2.94Å; P825-L828 WeakPolarHBondContact O-CA 3.39Å; P825-L828 WeakPolarHBondContact O-CB 3.37Å; P825-L828 PolarHBondContact O-N 2.84Å; K826-L828 VanDerWaalsContact C-N 3.33Å; K826-L828 PolarHBondContact O-N 3.41Å; L828-W831 WeakPolarHBondContact O-CB 3.44Å; L828-W831 PolarHBondContact O-N 2.91Å; L828-Y832 HydrophobicContact CD1-CD2 4.02Å; L828-Y832 HydrophobicContact CD1-CE2 3.57Å; L828-Y832 HydrophobicContact CD2-CE2 4.27Å; L828-Y832 HydrophobicContact CG-CD2 3.99Å; L828-Y832 HydrophobicContact CG-CE2 3.68Å; L828-Y832 VanDerWaalsContact O-CD2 3.25Å; L828-Y832 WeakPolarHBondContact O-CD2 3.33Å; L828-Y832 PolarHBondContact O-N 2.68Å
829Q95.8Very high95.6Very high14 Ų1468.8 Ų68.87%0.06532%0.315CS..Hα-helixtrans-58.3-51171-59.5166.2-1200111.2A802 P825 K826 W831 Y832 Q833 E971 N972 F974A802-Q829 HydrophobicContact CB-CG 4.35Å; P825-Q829 WeakPolarHBondContact O-CG 3.33Å; P825-Q829 PolarHBondContact O-N 3.23Å; K826-Q829 PolarHBondContact O-N 3.45Å; Q829-W831 PolarHBondContact O-N 3.37Å; Q829-Y832 PolarHBondContact O-N 2.98Å; Q829-Q833 WeakPolarHBondContact O-CG 3.41Å; Q829-Q833 PolarHBondContact O-N 2.84Å; Q829-E971 VanDerWaalsContact CG-O 3.3Å; Q829-E971 WeakPolarHBondContact CG-O 3.44Å; Q829-N972 PolarHBondContact NE2-OD1 3.09Å; Q829-F974 HydrophobicContact CB-CZ 4.28Å
830E97.7Very high95.8Very high100 Ų10067.3 Ų67.347%0.46731%0.306SS..Hα-helixtrans-58.2-35.7175.7-74.3168.5-175.200112.4K826 K834K826-E830 WeakPolarHBondContact CE-OE1 3.47Å; K826-E830 HydrophobicContact CG-CG 4.47Å; K826-E830 WeakPolarHBondContact CG-OE1 3.48Å; K826-E830 WeakPolarHBondContact O-CB 3.25Å; K826-E830 VanDerWaalsContact O-CG 3.27Å; K826-E830 WeakPolarHBondContact O-CG 3.47Å; K826-E830 PolarHBondContact O-N 2.99Å; E830-K834 WeakPolarHBondContact O-CB 3.45Å; E830-K834 PolarHBondContact O-N 3.2Å
831W97.9Very high96Very high52 Ų5272.4 Ų72.420%0.19733%0.333CS..Hα-helixtrans-68.1-45.4176.7-174.799000112.3Y779 H780 L783 R827 L828 Q829 K834 M835Y779-W831 HydrophobicContact CD2-CZ2 4.2Å; Y779-W831 HydrophobicContact CG-CZ2 4.43Å; H780-W831 AromaticContact CD2-CE2 3.69Å; H780-W831 AromaticContact CD2-CH2 3.75Å; H780-W831 AromaticContact CD2-CZ2 3.45Å; H780-W831 VanDerWaalsContact CD2-CZ2 3.45Å; H780-W831 WeakPolarHBondContact CD2-CZ2 3.42Å; H780-W831 PolarHBondContact CE1-O 3.49Å; H780-W831 VanDerWaalsContact CE1-O 3.25Å; H780-W831 AromaticContact NE2-CD1 3.12Å; H780-W831 AromaticContact NE2-CD2 2.47Å; H780-W831 AromaticContact NE2-CE2 2.44Å; H780-W831 AromaticContact NE2-CE3 3.06Å; H780-W831 AromaticContact NE2-CG 2.95Å; H780-W831 AromaticContact NE2-CH2 3.51Å; H780-W831 AromaticContact NE2-CZ2 3.02Å; H780-W831 WeakPolarHBondContact NE2-CZ2 3.26Å; H780-W831 AromaticContact NE2-CZ3 3.52Å; H780-W831 AromaticContact NE2-NE1 2.84Å; H780-W831 PolarHBondContact NE2-NE1 3.39Å; H780-W831 PolarHBondContact NE2-O 3.5Å; L783-W831 HydrophobicContact CD1-CH2 3.62Å; L783-W831 HydrophobicContact CD1-CZ3 3.58Å; R827-W831 VanDerWaalsContact O-CB 3.28Å; R827-W831 WeakPolarHBondContact O-CB 3.38Å; R827-W831 PolarHBondContact O-N 3.45Å; R827-W831 VanDerWaalsContact O-N 3.08Å; L828-W831 WeakPolarHBondContact O-CB 3.44Å; L828-W831 PolarHBondContact O-N 2.91Å; Q829-W831 PolarHBondContact O-N 3.37Å; W831-K834 PolarHBondContact O-N 3.07Å; W831-M835 PolarHBondContact O-N 2.81Å; W831-M835 VanDerWaalsContact O-N 3.1Å
832Y98.4Very high96.3Very high12 Ų1267.6 Ų67.65%0.04731%0.314CS..Hα-helixtrans-65.4-42.3173.4-77.8-63.8000111.6L783 I800 A802 L828 Q829 K834 M835 L836L783-Y832 HydrophobicContact CD1-CE1 4.04Å; I800-Y832 HydrophobicContact CD1-CD1 3.83Å; I800-Y832 HydrophobicContact CD1-CE1 3.91Å; I800-Y832 HydrophobicContact CG2-CD1 4Å; I800-Y832 HydrophobicContact CG2-CD2 4.18Å; I800-Y832 HydrophobicContact CG2-CE1 3.65Å; I800-Y832 HydrophobicContact CG2-CE2 3.84Å; I800-Y832 HydrophobicContact CG2-CG 4.26Å; A802-Y832 HydrophobicContact CB-CD2 3.73Å; A802-Y832 HydrophobicContact CB-CE2 3.92Å; L828-Y832 HydrophobicContact CD1-CD2 4.02Å; L828-Y832 HydrophobicContact CD1-CE2 3.57Å; L828-Y832 HydrophobicContact CD2-CE2 4.27Å; L828-Y832 HydrophobicContact CG-CD2 3.99Å; L828-Y832 HydrophobicContact CG-CE2 3.68Å; L828-Y832 VanDerWaalsContact O-CD2 3.25Å; L828-Y832 WeakPolarHBondContact O-CD2 3.33Å; L828-Y832 PolarHBondContact O-N 2.68Å; Q829-Y832 PolarHBondContact O-N 2.98Å; Y832-K834 VanDerWaalsContact C-N 3.28Å; Y832-K834 PolarHBondContact O-N 3.44Å; Y832-M835 HydrophobicContact CD1-CE 4.17Å; Y832-M835 WeakPolarHBondContact O-CB 3.42Å; Y832-M835 PolarHBondContact O-N 3.22Å; Y832-M835 VanDerWaalsContact O-N 3.12Å; Y832-L836 WeakPolarHBondContact O-CG 3.36Å; Y832-L836 PolarHBondContact O-N 3.45Å
833Q98.1Very high96.6Very high61 Ų6174.5 Ų74.529%0.28534%0.335SS..Hα-helixtrans-57.8-39.3173.3-72.9-176.52000112.3Q829 L836 K837 Y848 F974Q829-Q833 WeakPolarHBondContact O-CG 3.41Å; Q829-Q833 PolarHBondContact O-N 2.84Å; Q833-L836 PolarHBondContact O-N 3.29Å; Q833-K837 VanDerWaalsContact O-CB 3.28Å; Q833-K837 WeakPolarHBondContact O-CB 3.05Å; Q833-K837 WeakPolarHBondContact O-CD 3.49Å; Q833-K837 WeakPolarHBondContact O-CG 3.01Å; Q833-K837 PolarHBondContact O-N 3.4Å; Q833-Y848 HydrophobicContact CG-CE2 4.32Å; Q833-F974 HydrophobicContact CG-CE1 3.72Å; Q833-F974 HydrophobicContact CG-CZ 4Å
834K98.4Very high96.9Very high128 Ų12872.6 Ų72.656%0.55732%0.322SS*.Hα-helixtrans-64.6-41.9175.5-177.2177.9175.9-177.40111.8H780 E830 W831 Y832 K838H780-K834 WeakPolarHBondContact CE1-CB 3.02Å; H780-K834 WeakPolarHBondContact CE1-CD 3.32Å; H780-K834 WeakPolarHBondContact CE1-CG 3.49Å; E830-K834 WeakPolarHBondContact O-CB 3.45Å; E830-K834 PolarHBondContact O-N 3.2Å; W831-K834 PolarHBondContact O-N 3.07Å; Y832-K834 VanDerWaalsContact C-N 3.28Å; Y832-K834 PolarHBondContact O-N 3.44Å; K834-K838 PolarHBondContact O-N 3.18Å
835M98.4Very high97.3Very high0 Ų066.7 Ų66.70%030%0.297CS..Hα-helixtrans-61.6-46.8174.7-175-79.8-70.200111.5H780 L783 V784 I787 I800 W831 Y832 K838 A839H780-M835 HydrophobicContact CB-CB 4.48Å; H780-M835 HydrophobicContact CB-CG 4.13Å; H780-M835 PolarHBondContact CE1-N 2.95Å; L783-M835 HydrophobicContact CB-CE 4.1Å; L783-M835 HydrophobicContact CB-CG 4.04Å; L783-M835 HydrophobicContact CB-SD 3.97Å; L783-M835 HydrophobicContact CD1-CE 4.15Å; L783-M835 HydrophobicContact CD1-CG 4.31Å; V784-M835 HydrophobicContact CG2-CG 3.9Å; V784-M835 HydrophobicContact CG2-SD 3.57Å; V784-M835 VanDerWaalsContact CG2-SD 3.57Å; I787-M835 HydrophobicContact CD1-CE 3.94Å; I787-M835 HydrophobicContact CD1-SD 4.16Å; I800-M835 HydrophobicContact CD1-CE 3.98Å; W831-M835 PolarHBondContact O-N 2.81Å; W831-M835 VanDerWaalsContact O-N 3.1Å; Y832-M835 HydrophobicContact CD1-CE 4.17Å; Y832-M835 WeakPolarHBondContact O-CB 3.42Å; Y832-M835 PolarHBondContact O-N 3.22Å; Y832-M835 VanDerWaalsContact O-N 3.12Å; M835-K838 WeakPolarHBondContact O-CB 3.45Å; M835-K838 PolarHBondContact O-N 3.49Å; M835-A839 PolarHBondContact O-N 2.89Å
836L98.6Very high97.6Very high0 Ų066.9 Ų66.90%030%0.297CS..Hα-helixtrans-70.6-35.2-179.3-64.3170.3000112.7I787 Y832 Q833 K838 A839 L840 V845 Y848 F974 I976I787-L836 HydrophobicContact CD1-CD2 4.37Å; Y832-L836 WeakPolarHBondContact O-CG 3.36Å; Y832-L836 PolarHBondContact O-N 3.45Å; Q833-L836 PolarHBondContact O-N 3.29Å; L836-K838 VanDerWaalsContact C-N 3.28Å; L836-K838 PolarHBondContact O-N 3.17Å; L836-A839 WeakPolarHBondContact O-CB 3.34Å; L836-A839 PolarHBondContact O-N 2.86Å; L836-A839 VanDerWaalsContact O-N 3.16Å; L836-L840 WeakPolarHBondContact O-CG 3.49Å; L836-L840 PolarHBondContact O-N 3.36Å; L836-V845 HydrophobicContact CD2-CG2 4.44Å; L836-Y848 HydrophobicContact CB-CD1 3.49Å; L836-Y848 VanDerWaalsContact CB-CD1 3.49Å; L836-Y848 HydrophobicContact CB-CD2 4.49Å; L836-Y848 HydrophobicContact CB-CE1 3.52Å; L836-Y848 HydrophobicContact CB-CG 3.99Å; L836-Y848 HydrophobicContact CD1-CD1 4.17Å; L836-Y848 HydrophobicContact CD1-CD2 3.82Å; L836-Y848 HydrophobicContact CD1-CE2 4.29Å; L836-Y848 HydrophobicContact CD1-CG 3.76Å; L836-Y848 HydrophobicContact CG-CD1 4.36Å; L836-Y848 HydrophobicContact CG-CG 4.41Å; L836-F974 HydrophobicContact CD1-CB 4.34Å; L836-F974 HydrophobicContact CD1-CD1 3.73Å; L836-F974 HydrophobicContact CD1-CE1 4.35Å; L836-F974 HydrophobicContact CD1-CG 4.18Å; L836-I976 HydrophobicContact CD1-CD1 4.14Å; L836-I976 HydrophobicContact CD1-CG1 4.02Å; L836-I976 HydrophobicContact CD2-CD1 3.66Å; L836-I976 HydrophobicContact CD2-CG1 3.85Å; L836-I976 HydrophobicContact CD2-CG2 3.96Å
837K98.4Very high97.7Very high101 Ų10162.4 Ų62.444%0.43928%0.28SS..Hα-helixtrans-60.1-36.1170.4-76.2162.4-178.1161.20112Q833 I841 Y848Q833-K837 VanDerWaalsContact O-CB 3.28Å; Q833-K837 WeakPolarHBondContact O-CB 3.05Å; Q833-K837 WeakPolarHBondContact O-CD 3.49Å; Q833-K837 WeakPolarHBondContact O-CG 3.01Å; Q833-K837 PolarHBondContact O-N 3.4Å; K837-I841 WeakPolarHBondContact O-CD1 3.4Å; K837-I841 VanDerWaalsContact O-CG1 3.32Å; K837-I841 WeakPolarHBondContact O-CG1 3.14Å; K837-I841 PolarHBondContact O-N 3.25Å; K837-Y848 WeakPolarHBondContact CE-OH 3.44Å; K837-Y848 HydrophobicContact CG-CE1 4.45Å
838K98.2Very high97.8Very high46 Ų4656.9 Ų56.920%0.226%0.259CS..Hα-helixtrans-67.5-44.5171.5-177.2-179.4-177.8-670111.7E781 K834 M835 L836 L840 I841 E842E781-K838 WeakPolarHBondContact OE1-CE 3.5Å; E781-K838 IonicContact OE1-NZ 2.93Å; E781-K838 PolarHBondContact OE1-NZ 3.39Å; E781-K838 IonicContact OE2-NZ 3.76Å; E781-K838 PolarHBondContact OE2-NZ 2.89Å; K834-K838 PolarHBondContact O-N 3.18Å; M835-K838 WeakPolarHBondContact O-CB 3.45Å; M835-K838 PolarHBondContact O-N 3.49Å; L836-K838 VanDerWaalsContact C-N 3.28Å; L836-K838 PolarHBondContact O-N 3.17Å; K838-L840 VanDerWaalsContact C-N 3.29Å; K838-L840 PolarHBondContact O-N 3.25Å; K838-I841 PolarHBondContact O-N 3.06Å; K838-E842 IonicContact NZ-OE1 3.23Å; K838-E842 PolarHBondContact NZ-OE1 2.84Å; K838-E842 PolarHBondContact O-N 2.83Å; K838-E842 VanDerWaalsContact O-N 3.07Å
839A98.4Very high97.8Very high0 Ų057.1 Ų57.10%026%0.259CS..Hα-helixtrans-62.5-32.6177.100000113.6V784 M835 L836 R843 I844 V845V784-A839 HydrophobicContact CG1-CB 4.19Å; V784-A839 HydrophobicContact CG2-CB 4.08Å; M835-A839 PolarHBondContact O-N 2.89Å; L836-A839 WeakPolarHBondContact O-CB 3.34Å; L836-A839 PolarHBondContact O-N 2.86Å; L836-A839 VanDerWaalsContact O-N 3.16Å; A839-R843 PolarHBondContact O-N 3.33Å; A839-I844 HydrophobicContact CB-CB 4.48Å; A839-I844 PolarHBondContact O-N 3.39Å; A839-V845 HydrophobicContact CB-CB 4.01Å; A839-V845 HydrophobicContact CB-CG2 3.56Å; A839-V845 PolarHBondContact O-N 3.29Å; A839-V845 VanDerWaalsContact O-N 3.12Å
840L98Very high97.8Very high61 Ų6158.5 Ų58.532%0.31927%0.267SS..Hα-helixtrans-65.5-47.8171.4-79.3173.5000112.4L836 K838 E842 R843 V845 V846 Y848L836-L840 WeakPolarHBondContact O-CG 3.49Å; L836-L840 PolarHBondContact O-N 3.36Å; K838-L840 VanDerWaalsContact C-N 3.29Å; K838-L840 PolarHBondContact O-N 3.25Å; L840-E842 PolarHBondContact O-N 2.66Å; L840-R843 WeakPolarHBondContact O-CA 3.47Å; L840-R843 PolarHBondContact O-N 3.3Å; L840-V845 HydrophobicContact CD2-CB 4.27Å; L840-V845 HydrophobicContact CD2-CG1 3.88Å; L840-V845 HydrophobicContact CG-CB 4.47Å; L840-V845 HydrophobicContact CG-CG1 4.25Å; L840-V846 WeakPolarHBondContact CD2-O 3.4Å; L840-Y848 HydrophobicContact CD1-CD1 3.89Å; L840-Y848 HydrophobicContact CD1-CE1 3.65Å; L840-Y848 HydrophobicContact CG-CD1 4.38Å; L840-Y848 HydrophobicContact CG-CE1 4.48Å
841I98Very high97.6Very high144 Ų14454.5 Ų54.574%0.73825%0.249SC*.Hα-helixtrans-60.9-37.1179.1-68.5164000110.7K837 K838 R843K837-I841 WeakPolarHBondContact O-CD1 3.4Å; K837-I841 VanDerWaalsContact O-CG1 3.32Å; K837-I841 WeakPolarHBondContact O-CG1 3.14Å; K837-I841 PolarHBondContact O-N 3.25Å; K838-I841 PolarHBondContact O-N 3.06Å; I841-R843 VanDerWaalsContact C-N 3.26Å; I841-R843 PolarHBondContact O-N 3.5Å
842E97.8Very high97.4Very high77 Ų7752.2 Ų52.236%0.3624%0.241SC..THydrogen-bonded Turntrans-77.8-0.6173.4-71.4-178.3-130.400114.5R671 K838 L840 I844R671-E842 IonicContact CZ-OE2 3.39Å; R671-E842 VanDerWaalsContact CZ-OE2 3.29Å; R671-E842 IonicContact NH1-OE2 3.52Å; R671-E842 PolarHBondContact NH1-OE2 3.25Å; R671-E842 VanDerWaalsContact NH2-CD 3.28Å; R671-E842 IonicContact NH2-OE1 3.78Å; R671-E842 PolarHBondContact NH2-OE1 2.71Å; R671-E842 IonicContact NH2-OE2 3.52Å; R671-E842 PolarHBondContact NH2-OE2 3Å; K838-E842 IonicContact NZ-OE1 3.23Å; K838-E842 PolarHBondContact NZ-OE1 2.84Å; K838-E842 PolarHBondContact O-N 2.83Å; K838-E842 VanDerWaalsContact O-N 3.07Å; L840-E842 PolarHBondContact O-N 2.66Å; E842-I844 HydrophobicContact CB-CD1 3.75Å; E842-I844 HydrophobicContact CB-CG1 4.04Å; E842-I844 PolarHBondContact O-N 3.44Å; E842-I844 VanDerWaalsContact O-N 3.13Å; E842-I844 WeakPolarHBondContact OE2-CD1 3.46Å
843R97.6Very high97.1Very high215 Ų21555.4 Ų55.481%0.81126%0.256SS*.THydrogen-bonded Turntrans58.718.8-176.9-50.9-179.2-178.4-174.1-1114.5K791 A839 L840 I841K791-R843 PolarHBondContact NZ-O 2.72Å; K791-R843 VanDerWaalsContact NZ-O 3.08Å; A839-R843 PolarHBondContact O-N 3.33Å; L840-R843 WeakPolarHBondContact O-CA 3.47Å; L840-R843 PolarHBondContact O-N 3.3Å; I841-R843 VanDerWaalsContact C-N 3.26Å; I841-R843 PolarHBondContact O-N 3.5Å
844I98.2Very high96.8Very high6 Ų653.6 Ų53.63%0.03125%0.248CC..SBendtrans-72.8-49.8174-69.1164.8000108.6V784 I787 H788 K791 A839 E842V784-I844 HydrophobicContact CG1-CD1 3.45Å; V784-I844 VanDerWaalsContact CG1-CD1 3.45Å; I787-I844 HydrophobicContact CG2-CG2 4.07Å; H788-I844 HydrophobicContact CB-CD1 4Å; H788-I844 HydrophobicContact CB-CG1 4.15Å; H788-I844 HydrophobicContact CB-CG2 3.77Å; K791-I844 WeakPolarHBondContact CD-O 3.5Å; K791-I844 WeakPolarHBondContact CE-O 3.33Å; K791-I844 PolarHBondContact NZ-O 2.98Å; A839-I844 HydrophobicContact CB-CB 4.48Å; A839-I844 PolarHBondContact O-N 3.39Å; E842-I844 HydrophobicContact CB-CD1 3.75Å; E842-I844 HydrophobicContact CB-CG1 4.04Å; E842-I844 PolarHBondContact O-N 3.44Å; E842-I844 VanDerWaalsContact O-N 3.13Å; E842-I844 WeakPolarHBondContact OE2-CD1 3.46Å
845V98.3Very high96.5Very high4 Ų447.7 Ų47.72%0.02422%0.223CC..  trans-90147.2170.4170.80000109.5I787 L836 A839 L840 D847 I976 L978I787-V845 HydrophobicContact CG2-CG2 4.08Å; L836-V845 HydrophobicContact CD2-CG2 4.44Å; A839-V845 HydrophobicContact CB-CB 4.01Å; A839-V845 HydrophobicContact CB-CG2 3.56Å; A839-V845 PolarHBondContact O-N 3.29Å; A839-V845 VanDerWaalsContact O-N 3.12Å; L840-V845 HydrophobicContact CD2-CB 4.27Å; L840-V845 HydrophobicContact CD2-CG1 3.88Å; L840-V845 HydrophobicContact CG-CB 4.47Å; L840-V845 HydrophobicContact CG-CG1 4.25Å; V845-D847 WeakPolarHBondContact CG1-O 3.49Å; V845-I976 HydrophobicContact CB-CG2 4.29Å; V845-I976 HydrophobicContact CG1-CG2 3.72Å; V845-I976 HydrophobicContact CG2-CG2 3.51Å; V845-L978 HydrophobicContact CG2-CD2 4.27Å
846V96.8Very high96.1Very high62 Ų6251.8 Ų51.838%0.37625%0.245SC..SBendtrans-90.2-56.5174176.90000109.9L840 R977 L978 P980L840-V846 WeakPolarHBondContact CD2-O 3.4Å; V846-R977 WeakPolarHBondContact CB-O 3.31Å; V846-R977 PolarHBondContact N-O 2.96Å; V846-L978 WeakPolarHBondContact CG2-O 3.34Å; V846-P980 HydrophobicContact CG2-CG 4.25Å
847D96.8Very high95.6Very high43 Ų4355.7 Ų55.723%0.2326%0.263CS..EExtended strand (participates in β ladder)trans-148.7166.9166.661.85.2000110.2V845 K849 R977V845-D847 WeakPolarHBondContact CG1-O 3.49Å; D847-K849 WeakPolarHBondContact OD2-CE 3.43Å; D847-K849 IonicContact OD2-NZ 2.79Å; D847-K849 PolarHBondContact OD2-NZ 3.42Å; D847-R977 PolarHBondContact O-N 3.44Å; D847-R977 WeakPolarHBondContact OD1-CB 3.46Å; D847-R977 IonicContact OD1-CZ 2.72Å; D847-R977 IonicContact OD1-NE 2.68Å; D847-R977 PolarHBondContact OD1-NE 3.28Å; D847-R977 IonicContact OD1-NH2 3.77Å; D847-R977 IonicContact OD2-CZ 2.78Å; D847-R977 IonicContact OD2-NE 2.76Å; D847-R977 IonicContact OD2-NH2 2.7Å; D847-R977 PolarHBondContact OD2-NH2 3.28Å
848Y97.5Very high94.9Very high48 Ų4854.2 Ų54.219%0.18827%0.266CS..EExtended strand (participates in β ladder)trans-138.9148.4168.971.1-93.7000109Q833 L836 K837 L840 F974 V975Q833-Y848 HydrophobicContact CG-CE2 4.32Å; L836-Y848 HydrophobicContact CB-CD1 3.49Å; L836-Y848 VanDerWaalsContact CB-CD1 3.49Å; L836-Y848 HydrophobicContact CB-CD2 4.49Å; L836-Y848 HydrophobicContact CB-CE1 3.52Å; L836-Y848 HydrophobicContact CB-CG 3.99Å; L836-Y848 HydrophobicContact CD1-CD1 4.17Å; L836-Y848 HydrophobicContact CD1-CD2 3.82Å; L836-Y848 HydrophobicContact CD1-CE2 4.29Å; L836-Y848 HydrophobicContact CD1-CG 3.76Å; L836-Y848 HydrophobicContact CG-CD1 4.36Å; L836-Y848 HydrophobicContact CG-CG 4.41Å; K837-Y848 WeakPolarHBondContact CE-OH 3.44Å; K837-Y848 HydrophobicContact CG-CE1 4.45Å; L840-Y848 HydrophobicContact CD1-CD1 3.89Å; L840-Y848 HydrophobicContact CD1-CE1 3.65Å; L840-Y848 HydrophobicContact CG-CD1 4.38Å; L840-Y848 HydrophobicContact CG-CE1 4.48Å; Y848-F974 AromaticContact CD2-CD1 3.98Å; Y848-F974 HydrophobicContact CD2-CD1 3.98Å; Y848-F974 HydrophobicContact CD2-CE1 4.4Å; Y848-F974 HydrophobicContact CE2-CD1 4.31Å; Y848-F974 HydrophobicContact CE2-CE1 4.27Å; Y848-V975 CarbonylContact C-O 3.46Å; Y848-V975 VanDerWaalsContact CA-O 3.26Å; Y848-V975 WeakPolarHBondContact CA-O 3.48Å
849K96.2Very high94.2Very high25 Ų2559 Ų5911%0.10929%0.289CS..EExtended strand (participates in β ladder)trans-139.9160.1-170.4-58.5-166.7175.7-161.70110.3D847 Q853 D854 E857 F974 V975 R977D847-K849 WeakPolarHBondContact OD2-CE 3.43Å; D847-K849 IonicContact OD2-NZ 2.79Å; D847-K849 PolarHBondContact OD2-NZ 3.42Å; K849-Q853 HydrophobicContact CB-CB 4.34Å; K849-Q853 HydrophobicContact CD-CG 4.08Å; K849-D854 HydrophobicContact CB-CB 4.44Å; K849-E857 IonicContact NZ-OE1 3.95Å; K849-E857 PolarHBondContact NZ-OE1 3.3Å; K849-E857 IonicContact NZ-OE2 2.6Å; K849-E857 PolarHBondContact NZ-OE2 3.21Å; K849-F974 WeakPolarHBondContact O-CA 3.29Å; K849-V975 PolarHBondContact N-O 2.81Å; K849-V975 PolarHBondContact O-N 2.99Å; K849-R977 VanDerWaalsContact CE-NH2 3.25Å; K849-R977 VanDerWaalsContact NZ-NH2 3.11Å
850D95.8Very high93.3Very high44 Ų4460.3 Ų60.324%0.23530%0.295CS..EExtended strand (participates in β ladder)trans-73.7155.7161.275.266.2000110.1C852 Q853 D854 K970 F973D850-C852 PolarHBondContact O-N 3.22Å; D850-C852 WeakPolarHBondContact OD1-CA 3.09Å; D850-C852 WeakPolarHBondContact OD1-CB 3.36Å; D850-C852 PolarHBondContact OD1-N 3.32Å; D850-Q853 PolarHBondContact O-N 2.67Å; D850-Q853 PolarHBondContact OD1-N 3.24Å; D850-D854 PolarHBondContact O-N 2.74Å; D850-D854 VanDerWaalsContact O-N 3.09Å; D850-K970 HydrophobicContact CB-CB 3.89Å; D850-K970 HydrophobicContact CB-CG 4.31Å; D850-K970 WeakPolarHBondContact OD1-CB 3.41Å; D850-F973 WeakPolarHBondContact CA-O 3.1Å
851I94.3Very high92.2Very high15 Ų1563.5 Ų63.58%0.07731%0.311CS..Hα-helixtrans-65.2-26.5-173.9-156.3176.8000113.4A855 L866 W874 M966 F973 V975I851-A855 VanDerWaalsContact O-CB 3.27Å; I851-A855 WeakPolarHBondContact O-CB 3.34Å; I851-A855 PolarHBondContact O-N 3.4Å; I851-L866 HydrophobicContact CD1-CD1 3.97Å; I851-W874 HydrophobicContact CD1-CZ2 4.43Å; I851-W874 HydrophobicContact CG2-CZ2 4.13Å; I851-M966 HydrophobicContact CB-CE 4.27Å; I851-M966 HydrophobicContact CD1-CE 4.06Å; I851-M966 HydrophobicContact CG1-CE 3.68Å; I851-M966 HydrophobicContact CG2-CE 3.97Å; I851-M966 WeakPolarHBondContact O-CE 3.38Å; I851-F973 HydrophobicContact CB-CB 3.7Å; I851-F973 HydrophobicContact CD1-CB 4.31Å; I851-F973 HydrophobicContact CG2-CB 3.67Å; I851-F973 HydrophobicContact CG2-CD2 4.21Å; I851-F973 HydrophobicContact CG2-CG 4.18Å; I851-F973 PolarHBondContact N-O 3.03Å; I851-F973 VanDerWaalsContact N-O 3.12Å; I851-V975 HydrophobicContact CB-CG2 4.28Å; I851-V975 HydrophobicContact CG1-CG2 4Å
852C92.3Very high91.6Very high4 Ų457.8 Ų57.83%0.02728%0.284CS..Hα-helixtrans-73.8-41.1177-169.10000110.4D850 A855 N856 M966 E967 K970D850-C852 PolarHBondContact O-N 3.22Å; D850-C852 WeakPolarHBondContact OD1-CA 3.09Å; D850-C852 WeakPolarHBondContact OD1-CB 3.36Å; D850-C852 PolarHBondContact OD1-N 3.32Å; C852-A855 PolarHBondContact O-N 2.76Å; C852-N856 WeakPolarHBondContact O-CB 3.2Å; C852-N856 PolarHBondContact O-N 3.37Å; C852-N856 PolarHBondContact O-ND2 2.81Å; C852-N856 PolarHBondContact SG-ND2 3.21Å; C852-N856 VanDerWaalsContact SG-ND2 3.41Å; C852-M966 HydrophobicContact CB-CB 4.27Å; C852-E967 PolarHBondContact SG-OE2 3.42Å; C852-K970 HydrophobicContact CB-CB 3.88Å; C852-K970 HydrophobicContact CB-CD 3.99Å
853Q93.2Very high91Very high80 Ų8054.3 Ų54.337%0.37427%0.268SS..Hα-helixtrans-61.4-46.4173.4-174.3-176.2-3.700111.6K849 D850 A855 N856 E857K849-Q853 HydrophobicContact CB-CB 4.34Å; K849-Q853 HydrophobicContact CD-CG 4.08Å; D850-Q853 PolarHBondContact O-N 2.67Å; D850-Q853 PolarHBondContact OD1-N 3.24Å; Q853-A855 PolarHBondContact O-N 2.78Å; Q853-N856 PolarHBondContact O-N 2.97Å; Q853-E857 PolarHBondContact NE2-OE1 3.16Å; Q853-E857 WeakPolarHBondContact O-CG 3.1Å; Q853-E857 PolarHBondContact O-N 3.02Å
854D92.3Very high90.7Very high22 Ų2244.8 Ų44.812%0.11824%0.235CC..Hα-helixtrans-65.4-37.8179.7-162.869000111.9K849 D850 E857 S858 V975 R977K849-D854 HydrophobicContact CB-CB 4.44Å; D850-D854 PolarHBondContact O-N 2.74Å; D850-D854 VanDerWaalsContact O-N 3.09Å; D854-E857 PolarHBondContact O-N 3.24Å; D854-S858 VanDerWaalsContact O-CB 3.32Å; D854-S858 WeakPolarHBondContact O-CB 3.43Å; D854-S858 PolarHBondContact O-N 3.34Å; D854-S858 PolarHBondContact O-OG 3.34Å; D854-V975 HydrophobicContact CB-CB 4.15Å; D854-V975 HydrophobicContact CB-CG1 4.34Å; D854-V975 HydrophobicContact CB-CG2 4.15Å; D854-R977 IonicContact OD1-CZ 2.93Å; D854-R977 IonicContact OD1-NH1 2.66Å; D854-R977 PolarHBondContact OD1-NH1 2.77Å
855A91.4Very high90.3Very high4 Ų448.7 Ų48.73%0.03325%0.253CS..Hα-helixtrans-64.4-38173.200000113.6I851 C852 Q853 S858 H859 M860 Y963 M966I851-A855 VanDerWaalsContact O-CB 3.27Å; I851-A855 WeakPolarHBondContact O-CB 3.34Å; I851-A855 PolarHBondContact O-N 3.4Å; C852-A855 PolarHBondContact O-N 2.76Å; Q853-A855 PolarHBondContact O-N 2.78Å; A855-S858 WeakPolarHBondContact CA-OG 3.29Å; A855-S858 PolarHBondContact O-OG 3.46Å; A855-H859 PolarHBondContact O-N 3.06Å; A855-M860 HydrophobicContact CB-CE 3.69Å; A855-M860 PolarHBondContact O-N 3.13Å; A855-M860 VanDerWaalsContact O-N 3.14Å; A855-Y963 HydrophobicContact CB-CE1 3.88Å; A855-Y963 PolarHBondContact O-OH 2.96Å; A855-M966 HydrophobicContact CB-CE 3.66Å; A855-M966 HydrophobicContact CB-SD 4.39Å
856N89.9Confident90Very high86 Ų8649.1 Ų49.146%0.4626%0.255SS..Hα-helixtrans-71.5-38.3176.4-77.9-59.9000112.1C852 Q853 H859C852-N856 WeakPolarHBondContact O-CB 3.2Å; C852-N856 PolarHBondContact O-N 3.37Å; C852-N856 PolarHBondContact O-ND2 2.81Å; C852-N856 PolarHBondContact SG-ND2 3.21Å; C852-N856 VanDerWaalsContact SG-ND2 3.41Å; Q853-N856 PolarHBondContact O-N 2.97Å; N856-H859 PolarHBondContact O-N 2.94Å; N856-H859 PolarHBondContact O-ND1 3.35Å
857E88.2Confident90Very high82 Ų8246.6 Ų46.638%0.38324%0.241SC..Hα-helixtrans-73.8-33.7177.4-76.4-178.2-160.800113.8K849 Q853 D854 H859 R977K849-E857 IonicContact NZ-OE1 3.95Å; K849-E857 PolarHBondContact NZ-OE1 3.3Å; K849-E857 IonicContact NZ-OE2 2.6Å; K849-E857 PolarHBondContact NZ-OE2 3.21Å; Q853-E857 PolarHBondContact NE2-OE1 3.16Å; Q853-E857 WeakPolarHBondContact O-CG 3.1Å; Q853-E857 PolarHBondContact O-N 3.02Å; D854-E857 PolarHBondContact O-N 3.24Å; E857-H859 VanDerWaalsContact C-N 3.26Å; E857-R977 IonicContact OE2-CZ 2.62Å; E857-R977 IonicContact OE2-NH1 3.7Å; E857-R977 PolarHBondContact OE2-NH1 3.12Å; E857-R977 IonicContact OE2-NH2 3.42Å; E857-R977 PolarHBondContact OE2-NH2 2.88Å
858S84.3Confident90Very high70 Ų7044.8 Ų44.849%0.4923%0.23SC..THydrogen-bonded Turntrans-79.5-9.6174.353.70000113.3D854 A855D854-S858 VanDerWaalsContact O-CB 3.32Å; D854-S858 WeakPolarHBondContact O-CB 3.43Å; D854-S858 PolarHBondContact O-N 3.34Å; D854-S858 PolarHBondContact O-OG 3.34Å; A855-S858 WeakPolarHBondContact CA-OG 3.29Å; A855-S858 PolarHBondContact O-OG 3.46Å
859H82.7Confident89.9Confident147 Ų14742.8 Ų42.868%0.68122%0.223SC*.THydrogen-bonded Turntrans54.247.8-174-57-38.5000112.9A855 N856 E857 I861A855-H859 PolarHBondContact O-N 3.06Å; N856-H859 PolarHBondContact O-N 2.94Å; N856-H859 PolarHBondContact O-ND1 3.35Å; E857-H859 VanDerWaalsContact C-N 3.26Å; H859-I861 VanDerWaalsContact O-CG1 3.3Å; H859-I861 WeakPolarHBondContact O-CG1 3.29Å; H859-I861 PolarHBondContact O-N 3.12Å
860M78.9Confident89.7Confident28 Ų2845.4 Ų45.414%0.13824%0.235CC..  trans-53129.8174-86.4-151.1-51.100111A855 E865 L866 Y963 M966A855-M860 HydrophobicContact CB-CE 3.69Å; A855-M860 PolarHBondContact O-N 3.13Å; A855-M860 VanDerWaalsContact O-N 3.14Å; M860-E865 WeakPolarHBondContact CA-OE2 3.47Å; M860-E865 HydrophobicContact CG-CB 3.98Å; M860-E865 HydrophobicContact SD-CB 3.84Å; M860-L866 HydrophobicContact CE-CB 4.42Å; M860-L866 HydrophobicContact CE-CD1 4.12Å; M860-L866 HydrophobicContact SD-CB 4.1Å; M860-L866 HydrophobicContact SD-CD1 4.48Å; M860-Y963 PolarHBondContact O-OH 3.45Å; M860-M966 HydrophobicContact CE-CE 3.96Å; M860-M966 HydrophobicContact CE-SD 4.19Å
861I75.1Confident89.4Confident128 Ų12845 Ų4566%0.65624%0.242SC*.  trans-109.4-32.5177.1-46.1-175000109.7H859 E865H859-I861 VanDerWaalsContact O-CG1 3.3Å; H859-I861 WeakPolarHBondContact O-CG1 3.29Å; H859-I861 PolarHBondContact O-N 3.12Å; I861-E865 PolarHBondContact N-OE2 3.24Å
862S85.9Confident89.3Confident24 Ų2444.5 Ų44.517%0.16824%0.239CC..SBendtrans-120.3141.7-174.2-177.10000113.3S864 E865S862-S864 WeakPolarHBondContact CB-OG 3.48Å; S862-S864 PolarHBondContact O-N 2.74Å; S862-S864 VanDerWaalsContact O-N 3.12Å; S862-S864 PolarHBondContact OG-N 3.15Å; S862-S864 PolarHBondContact OG-OG 3.19Å; S862-E865 PolarHBondContact N-OE2 3.35Å; S862-E865 WeakPolarHBondContact O-CB 3.48Å; S862-E865 PolarHBondContact O-N 2.9Å
863P85.9Confident89.3Confident3 Ų346.7 Ų46.72%0.01925%0.248CC..G310 helixtrans-55.4-22.6166.7-2434.1000114.5F708 E865 L866 L878 V958F708-P863 HydrophobicContact CE2-CB 4.39Å; F708-P863 HydrophobicContact CZ-CB 4.2Å; F708-P863 HydrophobicContact CZ-CG 4.06Å; P863-E865 PolarHBondContact O-N 3.41Å; P863-L866 WeakPolarHBondContact O-CB 3.46Å; P863-L866 PolarHBondContact O-N 3.28Å; P863-L878 HydrophobicContact CB-CD2 4Å; P863-V958 HydrophobicContact CB-CG1 4.28Å; P863-V958 HydrophobicContact CG-CB 4.12Å; P863-V958 HydrophobicContact CG-CG1 3.51Å
864S89.9Confident89.4Confident16 Ų1643.2 Ų43.211%0.11223%0.232CC..G310 helixtrans-72.7-10.617657.50000114.4P753 S862P753-S864 WeakPolarHBondContact CG-O 3.45Å; S862-S864 WeakPolarHBondContact CB-OG 3.48Å; S862-S864 PolarHBondContact O-N 2.74Å; S862-S864 VanDerWaalsContact O-N 3.12Å; S862-S864 PolarHBondContact OG-N 3.15Å; S862-S864 PolarHBondContact OG-OG 3.19Å
865E91.1Very high89.5Confident87 Ų8742.3 Ų42.341%0.40723%0.227SC..G310 helixtrans-86.4-13.9175.8-61.8173.1128.400112.5P753 M860 I861 S862 P863P753-E865 VanDerWaalsContact CB-O 3.23Å; P753-E865 WeakPolarHBondContact CB-O 3.36Å; M860-E865 WeakPolarHBondContact CA-OE2 3.47Å; M860-E865 HydrophobicContact CG-CB 3.98Å; M860-E865 HydrophobicContact SD-CB 3.84Å; I861-E865 PolarHBondContact N-OE2 3.24Å; S862-E865 PolarHBondContact N-OE2 3.35Å; S862-E865 WeakPolarHBondContact O-CB 3.48Å; S862-E865 PolarHBondContact O-N 2.9Å; P863-E865 PolarHBondContact O-N 3.41Å
866L92.5Very high89.5Confident14 Ų1445.2 Ų45.27%0.07324%0.242CC..SBendtrans-75.2132.5179.1-173.361.8000111P753 I851 M860 P863 Y868 W874 M966P753-L866 WeakPolarHBondContact CG-O 3.46Å; I851-L866 HydrophobicContact CD1-CD1 3.97Å; M860-L866 HydrophobicContact CE-CB 4.42Å; M860-L866 HydrophobicContact CE-CD1 4.12Å; M860-L866 HydrophobicContact SD-CB 4.1Å; M860-L866 HydrophobicContact SD-CD1 4.48Å; P863-L866 WeakPolarHBondContact O-CB 3.46Å; P863-L866 PolarHBondContact O-N 3.28Å; L866-Y868 PolarHBondContact O-N 3.31Å; L866-W874 HydrophobicContact CD2-CB 3.83Å; L866-W874 HydrophobicContact CD2-CD2 4.07Å; L866-W874 HydrophobicContact CD2-CE3 4.14Å; L866-W874 HydrophobicContact CD2-CG 3.91Å; L866-M966 HydrophobicContact CD1-CE 4.18Å
867A95.1Very high89.7Confident9 Ų941.4 Ų41.47%0.07422%0.222CC..  trans-63.7134.3-179.600000111.7N754 F869N754-A867 WeakPolarHBondContact OD1-CA 3.27Å; A867-F869 HydrophobicContact CB-CE1 4.02Å; A867-F869 HydrophobicContact CB-CE2 3.82Å; A867-F869 HydrophobicContact CB-CZ 3.49Å; A867-F869 VanDerWaalsContact CB-CZ 3.49Å
868Y96.6Very high89.9Confident4 Ų437.6 Ų37.62%0.01620%0.204CC..  trans-119.594.9-164.3-164.4-84.1000110.5V698 V700 K701 M704 M714 F718 N754 L866 P875V698-Y868 HydrophobicContact CG2-CD1 4.04Å; V698-Y868 HydrophobicContact CG2-CE1 3.98Å; V700-Y868 HydrophobicContact CG2-CD1 4.39Å; V700-Y868 HydrophobicContact CG2-CE1 4.2Å; K701-Y868 WeakPolarHBondContact CB-OH 3.23Å; K701-Y868 WeakPolarHBondContact CD-OH 3.49Å; K701-Y868 VanDerWaalsContact CG-OH 3.27Å; K701-Y868 WeakPolarHBondContact CG-OH 3.45Å; K701-Y868 PolarHBondContact N-OH 3.15Å; M704-Y868 HydrophobicContact CG-CE2 4Å; M714-Y868 HydrophobicContact CE-CD2 4.1Å; M714-Y868 HydrophobicContact CE-CG 4.2Å; F718-Y868 HydrophobicContact CD2-CD1 4.32Å; F718-Y868 HydrophobicContact CE2-CD1 4.3Å; F718-Y868 HydrophobicContact CE2-CG 4.37Å; N754-Y868 PolarHBondContact ND2-O 3.36Å; N754-Y868 PolarHBondContact OD1-N 3.09Å; L866-Y868 PolarHBondContact O-N 3.31Å; Y868-P875 HydrophobicContact CD1-CG 4.22Å; Y868-P875 HydrophobicContact CD2-CB 4.34Å; Y868-P875 HydrophobicContact CD2-CG 3.95Å; Y868-P875 HydrophobicContact CE1-CB 4.14Å; Y868-P875 HydrophobicContact CE1-CG 4.13Å; Y868-P875 HydrophobicContact CE2-CB 3.73Å; Y868-P875 HydrophobicContact CE2-CG 3.86Å; Y868-P875 HydrophobicContact CG-CG 4.13Å
869F96.9Very high90.3Very high6 Ų636 Ų363%0.02619%0.189CC..  trans-106.4151.6-170.1-54.5-49.9000113.7Y746 R757 Y759 H799 A867 G871 D872Y746-F869 AromaticContact CD2-CD1 3.97Å; Y746-F869 HydrophobicContact CD2-CD1 3.97Å; Y746-F869 AromaticContact CD2-CE1 3.94Å; Y746-F869 HydrophobicContact CD2-CE1 3.94Å; Y746-F869 AromaticContact CE2-CD1 3.37Å; Y746-F869 HydrophobicContact CE2-CD1 3.37Å; Y746-F869 AromaticContact CE2-CE1 3.83Å; Y746-F869 HydrophobicContact CE2-CE1 3.83Å; Y746-F869 HydrophobicContact CE2-CG 4.41Å; Y746-F869 AromaticContact CZ-CD1 3.77Å; R757-F869 HydrophobicContact CB-CE1 4.23Å; R757-F869 HydrophobicContact CB-CZ 4.24Å; Y759-F869 HydrophobicContact CD1-CB 3.72Å; Y759-F869 HydrophobicContact CD1-CD2 4.26Å; Y759-F869 HydrophobicContact CD1-CG 4.05Å; Y759-F869 AromaticContact CD2-CD2 3.61Å; Y759-F869 HydrophobicContact CD2-CD2 3.61Å; Y759-F869 HydrophobicContact CD2-CE2 4.02Å; Y759-F869 HydrophobicContact CD2-CG 4.22Å; Y759-F869 HydrophobicContact CE1-CB 4Å; Y759-F869 HydrophobicContact CE2-CD2 4.14Å; Y759-F869 HydrophobicContact CG-CB 4.02Å; Y759-F869 HydrophobicContact CG-CD1 4.47Å; Y759-F869 AromaticContact CG-CD2 3.68Å; Y759-F869 HydrophobicContact CG-CD2 3.68Å; Y759-F869 HydrophobicContact CG-CE2 4.22Å; Y759-F869 AromaticContact CG-CG 3.82Å; Y759-F869 HydrophobicContact CG-CG 3.82Å; H799-F869 HydrophobicContact CB-CE2 3.67Å; H799-F869 HydrophobicContact CB-CZ 4.11Å; H799-F869 AromaticContact CD2-CZ 3.7Å; H799-F869 AromaticContact CG-CE2 3.56Å; H799-F869 AromaticContact CG-CZ 3.72Å; H799-F869 AromaticContact ND1-CE2 3.92Å; A867-F869 HydrophobicContact CB-CE1 4.02Å; A867-F869 HydrophobicContact CB-CE2 3.82Å; A867-F869 HydrophobicContact CB-CZ 3.49Å; A867-F869 VanDerWaalsContact CB-CZ 3.49Å; F869-G871 PolarHBondContact O-N 2.91Å; F869-D872 HydrophobicContact CB-CB 3.93Å; F869-D872 PolarHBondContact O-N 3.47Å
870E92.4Very high90.8Very high81 Ų8135 Ų3538%0.37919%0.185SC..THydrogen-bonded Turntrans-66.5131.8178-176.652.4-109.200110.7V698 Y720 Q744 Y746 D872V698-E870 HydrophobicContact CB-CB 4.12Å; V698-E870 HydrophobicContact CG2-CB 4.24Å; Y720-E870 HydrophobicContact CE1-CB 4.31Å; Q744-E870 PolarHBondContact NE2-O 3.18Å; Q744-E870 VanDerWaalsContact OE1-N 3.12Å; Y746-E870 PolarHBondContact OH-N 3.33Å; E870-D872 PolarHBondContact O-N 3.1Å
871G87.8Confident91.5Very high36 Ų3633.8 Ų33.837%0.37118%0.179SC..THydrogen-bonded Turntrans67.48.4-179.300000117F869F869-G871 PolarHBondContact O-N 2.91Å
872D93.8Very high92.3Very high4 Ų427.9 Ų27.92%0.02115%0.148CC..  trans-79.3164.4178.9176.853.5000113.6Y759 F869 E870 W874 N876Y759-D872 HydrophobicContact CE1-CB 4.35Å; Y759-D872 PolarHBondContact OH-OD1 2.84Å; F869-D872 HydrophobicContact CB-CB 3.93Å; F869-D872 PolarHBondContact O-N 3.47Å; E870-D872 PolarHBondContact O-N 3.1Å; D872-W874 VanDerWaalsContact OD2-CD1 3.23Å; D872-W874 PolarHBondContact OD2-N 3.11Å; D872-W874 VanDerWaalsContact OD2-N 3.11Å; D872-N876 PolarHBondContact O-ND2 2.9Å
873F92.4Very high92.5Very high50 Ų5032.7 Ų32.722%0.21917%0.166CC..Hα-helixtrans-62.7-43.1177.1180-102.6000113.6W801 N876 T877 I965 F973W801-F873 HydrophobicContact CD2-CB 4.28Å; W801-F873 HydrophobicContact CE3-CB 4.44Å; W801-F873 HydrophobicContact CH2-CB 4.08Å; W801-F873 HydrophobicContact CZ2-CB 3.88Å; W801-F873 HydrophobicContact CZ2-CD2 4.13Å; W801-F873 HydrophobicContact CZ2-CG 4.39Å; W801-F873 HydrophobicContact CZ3-CB 4.35Å; F873-N876 PolarHBondContact O-N 2.92Å; F873-T877 WeakPolarHBondContact CD1-OG1 3.33Å; F873-T877 HydrophobicContact CE1-CG2 4.26Å; F873-T877 WeakPolarHBondContact CE1-OG1 3.44Å; F873-T877 WeakPolarHBondContact CZ-OG1 3.33Å; F873-T877 WeakPolarHBondContact O-CB 3.49Å; F873-T877 PolarHBondContact O-N 3.49Å; F873-T877 PolarHBondContact O-OG1 3.1Å; F873-I965 HydrophobicContact CE1-CG2 3.98Å; F873-I965 HydrophobicContact CZ-CG2 4.18Å; F873-F973 HydrophobicContact CB-CE1 3.82Å; F873-F973 HydrophobicContact CB-CZ 3.61Å; F873-F973 HydrophobicContact CD1-CE1 4.26Å; F873-F973 HydrophobicContact CD1-CE2 4.01Å; F873-F973 AromaticContact CD1-CZ 3.41Å; F873-F973 HydrophobicContact CD1-CZ 3.41Å; F873-F973 VanDerWaalsContact CD1-CZ 3.41Å; F873-F973 HydrophobicContact CE1-CE2 4.39Å; F873-F973 HydrophobicContact CE1-CZ 4.19Å; F873-F973 HydrophobicContact CG-CE1 4.32Å; F873-F973 AromaticContact CG-CZ 3.61Å; F873-F973 HydrophobicContact CG-CZ 3.61Å
874W94.9Very high92.8Very high6 Ų637.8 Ų37.82%0.02319%0.19CC..Hα-helixtrans-67.6-44.3-169.6-64.1104.5000114I851 L866 D872 N876 T877 L878 I965 M966 F973I851-W874 HydrophobicContact CD1-CZ2 4.43Å; I851-W874 HydrophobicContact CG2-CZ2 4.13Å; L866-W874 HydrophobicContact CD2-CB 3.83Å; L866-W874 HydrophobicContact CD2-CD2 4.07Å; L866-W874 HydrophobicContact CD2-CE3 4.14Å; L866-W874 HydrophobicContact CD2-CG 3.91Å; D872-W874 VanDerWaalsContact OD2-CD1 3.23Å; D872-W874 PolarHBondContact OD2-N 3.11Å; D872-W874 VanDerWaalsContact OD2-N 3.11Å; W874-N876 PolarHBondContact O-N 3.48Å; W874-T877 HydrophobicContact CE3-CG2 4.4Å; W874-T877 HydrophobicContact CZ3-CG2 4.33Å; W874-T877 PolarHBondContact O-N 2.9Å; W874-L878 WeakPolarHBondContact O-CG 3.36Å; W874-L878 PolarHBondContact O-N 2.93Å; W874-I965 HydrophobicContact CH2-CG2 3.97Å; W874-I965 HydrophobicContact CZ3-CB 4.33Å; W874-I965 HydrophobicContact CZ3-CG2 3.93Å; W874-M966 HydrophobicContact CH2-CB 4.13Å; W874-M966 HydrophobicContact CH2-CG 3.41Å; W874-M966 VanDerWaalsContact CH2-CG 3.41Å; W874-M966 HydrophobicContact CZ2-CG 3.98Å; W874-M966 HydrophobicContact CZ3-CG 3.72Å; W874-F973 AromaticContact CZ2-CD2 3.8Å; W874-F973 HydrophobicContact CZ2-CD2 3.8Å; W874-F973 AromaticContact CZ2-CE2 3.63Å; W874-F973 HydrophobicContact CZ2-CE2 3.63Å; W874-F973 HydrophobicContact CZ2-CG 4.37Å; W874-F973 HydrophobicContact CZ2-CZ 4.06Å; W874-F973 AromaticContact NE1-CD1 3.45Å; W874-F973 AromaticContact NE1-CE1 3.39Å; W874-F973 AromaticContact NE1-CE2 3.99Å; W874-F973 AromaticContact NE1-CG 3.79Å; W874-F973 AromaticContact NE1-CZ 3.69Å
875P93.7Very high92.6Very high3 Ų337.4 Ų37.42%0.01919%0.186CC..Hα-helixtrans-53.9-35.4172.9-32.139.1000115K701 Y868 E879K701-P875 HydrophobicContact CD-CB 4.07Å; K701-P875 WeakPolarHBondContact CD-O 3.5Å; Y868-P875 HydrophobicContact CD1-CG 4.22Å; Y868-P875 HydrophobicContact CD2-CB 4.34Å; Y868-P875 HydrophobicContact CD2-CG 3.95Å; Y868-P875 HydrophobicContact CE1-CB 4.14Å; Y868-P875 HydrophobicContact CE1-CG 4.13Å; Y868-P875 HydrophobicContact CE2-CB 3.73Å; Y868-P875 HydrophobicContact CE2-CG 3.86Å; Y868-P875 HydrophobicContact CG-CG 4.13Å; P875-E879 WeakPolarHBondContact O-CG 3.29Å
876N92.3Very high92.5Very high66 Ų6637.5 Ų37.535%0.35319%0.19SC..Hα-helixtrans-80.1-42.3179.2-62-63000111.2K701 D872 F873 W874 L878 E879 E880K701-N876 WeakPolarHBondContact CE-OD1 3.47Å; K701-N876 PolarHBondContact NZ-OD1 3.02Å; D872-N876 PolarHBondContact O-ND2 2.9Å; F873-N876 PolarHBondContact O-N 2.92Å; W874-N876 PolarHBondContact O-N 3.48Å; N876-L878 VanDerWaalsContact C-N 3.27Å; N876-L878 PolarHBondContact O-N 3.4Å; N876-E879 PolarHBondContact O-N 2.83Å; N876-E880 PolarHBondContact O-N 3Å
877T93.1Very high92.5Very high6 Ų642 Ų424%0.03721%0.21CC..Hα-helixtrans-57.2-38.7175.9-56.80000112.2F873 W874 E880 I881 I965F873-T877 WeakPolarHBondContact CD1-OG1 3.33Å; F873-T877 HydrophobicContact CE1-CG2 4.26Å; F873-T877 WeakPolarHBondContact CE1-OG1 3.44Å; F873-T877 WeakPolarHBondContact CZ-OG1 3.33Å; F873-T877 WeakPolarHBondContact O-CB 3.49Å; F873-T877 PolarHBondContact O-N 3.49Å; F873-T877 PolarHBondContact O-OG1 3.1Å; W874-T877 HydrophobicContact CE3-CG2 4.4Å; W874-T877 HydrophobicContact CZ3-CG2 4.33Å; W874-T877 PolarHBondContact O-N 2.9Å; T877-E880 PolarHBondContact O-N 2.91Å; T877-I881 HydrophobicContact CG2-CD1 4.21Å; T877-I881 WeakPolarHBondContact O-CG1 3.39Å; T877-I881 PolarHBondContact O-N 2.68Å; T877-I965 HydrophobicContact CG2-CD1 3.69Å; T877-I965 HydrophobicContact CG2-CG2 4.07Å
878L92.9Very high92.1Very high2 Ų245.1 Ų45.11%0.0122%0.224CC..Hα-helixtrans-64.9-46.3177.4-72.4162.7000112M704 P863 W874 N876 E880 I881 F882 V958 V962M704-L878 HydrophobicContact CG-CB 4.2Å; M704-L878 HydrophobicContact CG-CD1 4.2Å; M704-L878 HydrophobicContact SD-CB 4.19Å; M704-L878 HydrophobicContact SD-CD1 3.87Å; M704-L878 HydrophobicContact SD-CD2 4.26Å; M704-L878 HydrophobicContact SD-CG 4.33Å; P863-L878 HydrophobicContact CB-CD2 4Å; W874-L878 WeakPolarHBondContact O-CG 3.36Å; W874-L878 PolarHBondContact O-N 2.93Å; N876-L878 VanDerWaalsContact C-N 3.27Å; N876-L878 PolarHBondContact O-N 3.4Å; L878-E880 VanDerWaalsContact C-N 3.31Å; L878-E880 PolarHBondContact O-N 3.32Å; L878-I881 PolarHBondContact O-N 3.43Å; L878-F882 HydrophobicContact CB-CE2 4.03Å; L878-F882 HydrophobicContact CB-CZ 4.4Å; L878-F882 HydrophobicContact CD2-CZ 4.45Å; L878-F882 WeakPolarHBondContact O-CD2 3.46Å; L878-F882 WeakPolarHBondContact O-CE2 3.2Å; L878-F882 VanDerWaalsContact O-CG 3.23Å; L878-F882 WeakPolarHBondContact O-CG 3.39Å; L878-F882 PolarHBondContact O-N 3.41Å; L878-V958 HydrophobicContact CD2-CG1 4.49Å; L878-V962 HydrophobicContact CD2-CG2 3.62Å
879E92.8Very high91.7Very high36 Ų3648.4 Ų48.417%0.16824%0.241CC..Hα-helixtrans-63.1-36.2175.5-61.7-69.1107.200112.2K701 S702 G703 M704 P875 N876 F882 K883K701-E879 HydrophobicContact CB-CG 3.6Å; K701-E879 HydrophobicContact CD-CG 3.83Å; K701-E879 HydrophobicContact CG-CG 4.32Å; S702-E879 PolarHBondContact N-OE2 2.77Å; S702-E879 VanDerWaalsContact N-OE2 3.12Å; S702-E879 PolarHBondContact OG-OE2 2.93Å; G703-E879 WeakPolarHBondContact CA-OE1 3.44Å; G703-E879 PolarHBondContact N-OE1 2.82Å; G703-E879 PolarHBondContact N-OE2 2.91Å; M704-E879 PolarHBondContact N-OE1 3.26Å; P875-E879 WeakPolarHBondContact O-CG 3.29Å; N876-E879 PolarHBondContact O-N 2.83Å; E879-F882 PolarHBondContact O-N 2.96Å; E879-K883 WeakPolarHBondContact O-CB 3.38Å; E879-K883 PolarHBondContact O-N 3.02Å
880E92.5Very high91.3Very high125 Ų12551 Ų5158%0.58426%0.264SS*.Hα-helixtrans-63.1-47.4173.9-72.7176.9-177.300111.5N876 T877 L878 F882 K883 E884N876-E880 PolarHBondContact O-N 3Å; T877-E880 PolarHBondContact O-N 2.91Å; L878-E880 VanDerWaalsContact C-N 3.31Å; L878-E880 PolarHBondContact O-N 3.32Å; E880-F882 VanDerWaalsContact C-N 3.35Å; E880-F882 PolarHBondContact O-N 3.35Å; E880-K883 PolarHBondContact O-N 2.92Å; E880-E884 WeakPolarHBondContact O-CG 3.43Å; E880-E884 PolarHBondContact O-N 2.84Å
881I92.8Very high91.3Very high4 Ų452.9 Ų52.92%0.02127%0.271CS..Hα-helixtrans-57.9-45.4174.6-69.2164.9000111.3T877 L878 K883 E884 M885 V958 R961 V962 I965T877-I881 HydrophobicContact CG2-CD1 4.21Å; T877-I881 WeakPolarHBondContact O-CG1 3.39Å; T877-I881 PolarHBondContact O-N 2.68Å; L878-I881 PolarHBondContact O-N 3.43Å; I881-K883 PolarHBondContact O-N 2.81Å; I881-E884 PolarHBondContact O-N 2.85Å; I881-M885 HydrophobicContact CG2-CG 4.45Å; I881-M885 HydrophobicContact CG2-SD 3.95Å; I881-M885 WeakPolarHBondContact O-CG 3.27Å; I881-M885 PolarHBondContact O-N 2.85Å; I881-V958 HydrophobicContact CG2-CG1 4.3Å; I881-R961 HydrophobicContact CD1-CB 4.16Å; I881-R961 HydrophobicContact CG1-CB 4.4Å; I881-R961 HydrophobicContact CG2-CB 4.18Å; I881-V962 HydrophobicContact CD1-CG2 3.7Å; I881-I965 HydrophobicContact CD1-CD1 4.08Å; I881-I965 HydrophobicContact CG1-CD1 4.31Å
882F92.1Very high91.4Very high3 Ų355.9 Ų55.91%0.01327%0.271CS..Hα-helixtrans-63.5-43.2-179.9-60.1-40000112M704 R707 F708 L878 E879 E880 M885 D886 V958M704-F882 HydrophobicContact CB-CE2 4.31Å; M704-F882 HydrophobicContact CG-CE2 3.74Å; M704-F882 HydrophobicContact CG-CZ 4.31Å; M704-F882 HydrophobicContact SD-CE2 3.54Å; M704-F882 VanDerWaalsContact SD-CE2 3.54Å; M704-F882 HydrophobicContact SD-CZ 3.46Å; M704-F882 WeakPolarHBondContact SD-CZ 3.43Å; R707-F882 HydrophobicContact CG-CD1 4.45Å; R707-F882 HydrophobicContact CG-CE1 4.37Å; R707-F882 VanDerWaalsContact NH1-CD1 3.26Å; F708-F882 HydrophobicContact CE2-CE1 4.41Å; F708-F882 AromaticContact CE2-CZ 3.97Å; F708-F882 HydrophobicContact CE2-CZ 3.97Å; L878-F882 HydrophobicContact CB-CE2 4.03Å; L878-F882 HydrophobicContact CB-CZ 4.4Å; L878-F882 HydrophobicContact CD2-CZ 4.45Å; L878-F882 WeakPolarHBondContact O-CD2 3.46Å; L878-F882 WeakPolarHBondContact O-CE2 3.2Å; L878-F882 VanDerWaalsContact O-CG 3.23Å; L878-F882 WeakPolarHBondContact O-CG 3.39Å; L878-F882 PolarHBondContact O-N 3.41Å; E879-F882 PolarHBondContact O-N 2.96Å; E880-F882 VanDerWaalsContact C-N 3.35Å; E880-F882 PolarHBondContact O-N 3.35Å; F882-M885 PolarHBondContact O-N 3Å; F882-D886 WeakPolarHBondContact O-CB 3.48Å; F882-D886 VanDerWaalsContact O-CG 3.26Å; F882-D886 PolarHBondContact O-N 3.32Å; F882-V958 HydrophobicContact CD1-CG2 4.09Å; F882-V958 HydrophobicContact CE1-CB 4.34Å; F882-V958 HydrophobicContact CE1-CG1 3.66Å; F882-V958 HydrophobicContact CE1-CG2 3.69Å; F882-V958 HydrophobicContact CZ-CG1 4.26Å
883K91.4Very high91.2Very high125 Ų12561.7 Ų61.754%0.54330%0.296SS..Hα-helixtrans-62.7-42.7176.9-178.1179.4173.4-62.30112.1E879 E880 I881 D886 E887E879-K883 WeakPolarHBondContact O-CB 3.38Å; E879-K883 PolarHBondContact O-N 3.02Å; E880-K883 PolarHBondContact O-N 2.92Å; I881-K883 PolarHBondContact O-N 2.81Å; K883-D886 PolarHBondContact O-N 3.46Å; K883-E887 WeakPolarHBondContact CE-OE1 3.15Å; K883-E887 IonicContact NZ-OE1 3.37Å; K883-E887 PolarHBondContact NZ-OE1 3.25Å; K883-E887 IonicContact NZ-OE2 3.16Å; K883-E887 WeakPolarHBondContact O-CB 3.42Å; K883-E887 WeakPolarHBondContact O-CG 3.4Å; K883-E887 PolarHBondContact O-N 3.24Å
884E90.8Very high91Very high110 Ų11066 Ų6651%0.51432%0.317SS..Hα-helixtrans-61.2-44.2173.3-73.8-173.916500111.8E880 I881 E887 E888 R961E880-E884 WeakPolarHBondContact O-CG 3.43Å; E880-E884 PolarHBondContact O-N 2.84Å; I881-E884 PolarHBondContact O-N 2.85Å; E884-E887 PolarHBondContact O-N 2.94Å; E884-E888 WeakPolarHBondContact O-CB 3.15Å; E884-E888 WeakPolarHBondContact O-CG 3.48Å; E884-E888 PolarHBondContact O-N 3.3Å; E884-R961 IonicContact OE2-NH1 2.67Å
885M87.2Confident90.7Very high8 Ų870.3 Ų70.34%0.03934%0.337CS..Hα-helixtrans-65.2-42.8177.7-71.3179.17000112.6I881 F882 E887 E888 D889 V954 E957 V958I881-M885 HydrophobicContact CG2-CG 4.45Å; I881-M885 HydrophobicContact CG2-SD 3.95Å; I881-M885 WeakPolarHBondContact O-CG 3.27Å; I881-M885 PolarHBondContact O-N 2.85Å; F882-M885 PolarHBondContact O-N 3Å; M885-E887 VanDerWaalsContact C-N 3.33Å; M885-E887 PolarHBondContact O-N 3.1Å; M885-E888 WeakPolarHBondContact O-CB 3.47Å; M885-E888 PolarHBondContact O-N 3.41Å; M885-D889 PolarHBondContact O-N 3.11Å; M885-V954 HydrophobicContact CE-CG1 3.96Å; M885-E957 HydrophobicContact CE-CB 4.11Å; M885-E957 HydrophobicContact CE-CG 3.65Å; M885-E957 HydrophobicContact SD-CG 4.3Å; M885-V958 HydrophobicContact CE-CG2 4.05Å; M885-V958 HydrophobicContact SD-CG2 3.53Å; M885-V958 VanDerWaalsContact SD-CG2 3.53Å
886D88.9Confident90.3Very high90 Ų9076.4 Ų76.448%0.48137%0.365SS..Hα-helixtrans-65.7-36.3177.6-68.9-21.4000111.2R707 F882 K883 A890R707-D886 IonicContact CZ-OD1 3.82Å; R707-D886 IonicContact NH2-OD1 3.27Å; R707-D886 PolarHBondContact NH2-OD1 3.12Å; R707-D886 IonicContact NH2-OD2 2.66Å; F882-D886 WeakPolarHBondContact O-CB 3.48Å; F882-D886 VanDerWaalsContact O-CG 3.26Å; F882-D886 PolarHBondContact O-N 3.32Å; K883-D886 PolarHBondContact O-N 3.46Å; D886-A890 WeakPolarHBondContact O-CB 3.45Å; D886-A890 PolarHBondContact O-N 3.47Å
887E91Very high90Very high108 Ų10877.4 Ų77.451%0.50537%0.368SS..Hα-helixtrans-67.7-40.1171.5-75.9176.9-157.700112.3K883 E884 M885 K891K883-E887 WeakPolarHBondContact CE-OE1 3.15Å; K883-E887 IonicContact NZ-OE1 3.37Å; K883-E887 PolarHBondContact NZ-OE1 3.25Å; K883-E887 IonicContact NZ-OE2 3.16Å; K883-E887 WeakPolarHBondContact O-CB 3.42Å; K883-E887 WeakPolarHBondContact O-CG 3.4Å; K883-E887 PolarHBondContact O-N 3.24Å; E884-E887 PolarHBondContact O-N 2.94Å; M885-E887 VanDerWaalsContact C-N 3.33Å; M885-E887 PolarHBondContact O-N 3.1Å; E887-K891 VanDerWaalsContact O-CB 3.25Å; E887-K891 WeakPolarHBondContact O-CB 3.45Å; E887-K891 PolarHBondContact O-N 2.79Å
888E88.8Confident89.7Confident75 Ų7580.3 Ų80.335%0.3539%0.392SS..Hα-helixtrans-63.5-42.2173.4-78.5175.4-144.900112.6E884 M885 R892 R961E884-E888 WeakPolarHBondContact O-CB 3.15Å; E884-E888 WeakPolarHBondContact O-CG 3.48Å; E884-E888 PolarHBondContact O-N 3.3Å; M885-E888 WeakPolarHBondContact O-CB 3.47Å; M885-E888 PolarHBondContact O-N 3.41Å; E888-R892 WeakPolarHBondContact O-CB 3.41Å; E888-R892 VanDerWaalsContact O-CG 3.29Å; E888-R892 WeakPolarHBondContact O-CG 3.38Å; E888-R892 PolarHBondContact O-N 2.87Å; E888-R892 PolarHBondContact O-NE 2.94Å; E888-R892 IonicContact OE2-NH2 3.13Å; E888-R961 VanDerWaalsContact CD-NH2 3.32Å; E888-R961 IonicContact OE1-CZ 2.92Å; E888-R961 VanDerWaalsContact OE1-CZ 3.3Å; E888-R961 IonicContact OE1-NH1 2.69Å; E888-R961 PolarHBondContact OE1-NH1 3.14Å; E888-R961 IonicContact OE1-NH2 2.63Å; E888-R961 PolarHBondContact OE1-NH2 3.2Å; E888-R961 IonicContact OE2-CZ 3.38Å; E888-R961 IonicContact OE2-NH2 2.65Å; E888-R961 PolarHBondContact OE2-NH2 3.36Å
889D87.2Confident89.3Confident73 Ų7386.2 Ų86.239%0.3942%0.423SS..Hα-helixtrans-71.4-41.7177.8-91-63.5000111.6M885 K891 R892 K893M885-D889 PolarHBondContact O-N 3.11Å; D889-K891 VanDerWaalsContact C-N 3.32Å; D889-K891 PolarHBondContact O-N 2.74Å; D889-R892 VanDerWaalsContact CG-CZ 3.46Å; D889-R892 PolarHBondContact O-N 3.06Å; D889-R892 IonicContact OD1-CZ 3.86Å; D889-R892 IonicContact OD1-NH1 2.78Å; D889-R892 PolarHBondContact OD1-NH1 2.81Å; D889-R892 IonicContact OD1-NH2 2.67Å; D889-R892 PolarHBondContact OD1-NH2 2.71Å; D889-R892 IonicContact OD2-CZ 3.9Å; D889-R892 IonicContact OD2-NH1 2.78Å; D889-R892 IonicContact OD2-NH2 3.43Å; D889-R892 PolarHBondContact OD2-NH2 2.88Å; D889-K893 WeakPolarHBondContact O-CB 3.49Å; D889-K893 PolarHBondContact O-N 3.36Å
890A89.5Confident88.7Confident60 Ų6087.2 Ų87.250%0.49644%0.438SS..Hα-helixtrans-59.6-42.7172.800000111.7D886 K893 Q894D886-A890 WeakPolarHBondContact O-CB 3.45Å; D886-A890 PolarHBondContact O-N 3.47Å; A890-K893 PolarHBondContact O-N 3.35Å; A890-Q894 WeakPolarHBondContact O-CB 3.49Å; A890-Q894 PolarHBondContact O-N 3.3Å
891K91.6Very high87.8Confident120 Ų12089.9 Ų89.952%0.52244%0.443SS..Hα-helixtrans-66.5-44.6175.4-175.1172.6-178.8-76.80112.2E887 D889 K893 Q894 E895E887-K891 VanDerWaalsContact O-CB 3.25Å; E887-K891 WeakPolarHBondContact O-CB 3.45Å; E887-K891 PolarHBondContact O-N 2.79Å; D889-K891 VanDerWaalsContact C-N 3.32Å; D889-K891 PolarHBondContact O-N 2.74Å; K891-K893 VanDerWaalsContact C-N 3.29Å; K891-K893 PolarHBondContact O-N 2.97Å; K891-Q894 PolarHBondContact O-N 3.48Å; K891-E895 WeakPolarHBondContact CE-OE1 3.38Å; K891-E895 IonicContact NZ-OE1 2.67Å; K891-E895 PolarHBondContact NZ-OE1 3.04Å; K891-E895 WeakPolarHBondContact O-CG 3.38Å; K891-E895 PolarHBondContact O-N 2.85Å
892R89.9Confident86.3Confident100 Ų10091.9 Ų91.938%0.37746%0.464SS..Hα-helixtrans-60.1-38.3175-80.3179.9-84.8130-3.3111.8E888 D889 Q896E888-R892 WeakPolarHBondContact O-CB 3.41Å; E888-R892 VanDerWaalsContact O-CG 3.29Å; E888-R892 WeakPolarHBondContact O-CG 3.38Å; E888-R892 PolarHBondContact O-N 2.87Å; E888-R892 PolarHBondContact O-NE 2.94Å; E888-R892 IonicContact OE2-NH2 3.13Å; D889-R892 VanDerWaalsContact CG-CZ 3.46Å; D889-R892 PolarHBondContact O-N 3.06Å; D889-R892 IonicContact OD1-CZ 3.86Å; D889-R892 IonicContact OD1-NH1 2.78Å; D889-R892 PolarHBondContact OD1-NH1 2.81Å; D889-R892 IonicContact OD1-NH2 2.67Å; D889-R892 PolarHBondContact OD1-NH2 2.71Å; D889-R892 IonicContact OD2-CZ 3.9Å; D889-R892 IonicContact OD2-NH1 2.78Å; D889-R892 IonicContact OD2-NH2 3.43Å; D889-R892 PolarHBondContact OD2-NH2 2.88Å; R892-Q896 WeakPolarHBondContact O-CG 3.19Å; R892-Q896 PolarHBondContact O-N 2.8Å; R892-Q896 VanDerWaalsContact O-N 3.08Å
893K89.6Confident84.7Confident126 Ų12697.9 Ų97.955%0.54850%0.496SS..Hα-helixtrans-67.1-44.4173.9-173.9171.1-172.3-75.50112D889 A890 K891 E895 Q896 E897D889-K893 WeakPolarHBondContact O-CB 3.49Å; D889-K893 PolarHBondContact O-N 3.36Å; A890-K893 PolarHBondContact O-N 3.35Å; K891-K893 VanDerWaalsContact C-N 3.29Å; K891-K893 PolarHBondContact O-N 2.97Å; K893-E895 PolarHBondContact O-N 2.89Å; K893-Q896 PolarHBondContact O-N 2.93Å; K893-E897 IonicContact NZ-OE1 3.43Å; K893-E897 PolarHBondContact NZ-OE1 3.23Å; K893-E897 WeakPolarHBondContact O-CG 3.29Å; K893-E897 PolarHBondContact O-N 2.84Å
894Q87.4Confident83Confident140 Ų14098 Ų9865%0.65450%0.503SS*.Hα-helixtrans-62.6-40176-170.2179.926.600112.3A890 K891 E897 A898A890-Q894 WeakPolarHBondContact O-CB 3.49Å; A890-Q894 PolarHBondContact O-N 3.3Å; K891-Q894 PolarHBondContact O-N 3.48Å; Q894-E897 PolarHBondContact O-N 2.94Å; Q894-A898 VanDerWaalsContact O-CB 3.26Å; Q894-A898 WeakPolarHBondContact O-CB 3.43Å; Q894-A898 PolarHBondContact O-N 2.89Å
895E89.1Confident81.4Confident96 Ų9699.5 Ų99.545%0.44951%0.514SS..Hα-helixtrans-65.1-37.7175-73.8174.3-173.600111.8K891 K893 L899K891-E895 WeakPolarHBondContact CE-OE1 3.38Å; K891-E895 IonicContact NZ-OE1 2.67Å; K891-E895 PolarHBondContact NZ-OE1 3.04Å; K891-E895 WeakPolarHBondContact O-CG 3.38Å; K891-E895 PolarHBondContact O-N 2.85Å; K893-E895 PolarHBondContact O-N 2.89Å; E895-L899 VanDerWaalsContact O-CG 3.29Å; E895-L899 WeakPolarHBondContact O-CG 3.16Å; E895-L899 PolarHBondContact O-N 3.21Å
896Q85.3Confident79.8Confident132 Ų132106.4 Ų106.462%0.61755%0.551SS**Hα-helixtrans-69.1-43.3173.7-72.5173.327.500112.7R892 K893 A898 L899 A900R892-Q896 WeakPolarHBondContact O-CG 3.19Å; R892-Q896 PolarHBondContact O-N 2.8Å; R892-Q896 VanDerWaalsContact O-N 3.08Å; K893-Q896 PolarHBondContact O-N 2.93Å; Q896-A898 VanDerWaalsContact C-N 3.3Å; Q896-A898 PolarHBondContact O-N 3.05Å; Q896-L899 PolarHBondContact O-N 3.3Å; Q896-A900 PolarHBondContact O-N 3.01Å
897E87Confident77.9Confident86 Ų86111 Ų11140%0.40257%0.57SS.*Hα-helixtrans-65.3-32.7175.8-73.6-179.6-154.800112.4K893 Q894 R901K893-E897 IonicContact NZ-OE1 3.43Å; K893-E897 PolarHBondContact NZ-OE1 3.23Å; K893-E897 WeakPolarHBondContact O-CG 3.29Å; K893-E897 PolarHBondContact O-N 2.84Å; Q894-E897 PolarHBondContact O-N 2.94Å; E897-R901 WeakPolarHBondContact O-CD 3.5Å; E897-R901 VanDerWaalsContact O-CG 3.28Å; E897-R901 WeakPolarHBondContact O-CG 3.28Å; E897-R901 PolarHBondContact O-N 3.38Å
898A87Confident75.8Confident67 Ų67109.3 Ų109.355%0.55457%0.574SS**Hα-helixtrans-72.6-31.3174.200000113Q894 Q896Q894-A898 VanDerWaalsContact O-CB 3.26Å; Q894-A898 WeakPolarHBondContact O-CB 3.43Å; Q894-A898 PolarHBondContact O-N 2.89Å; Q896-A898 VanDerWaalsContact C-N 3.3Å; Q896-A898 PolarHBondContact O-N 3.05Å
899L83.2Confident73.4Confident126 Ų126115.2 Ų115.266%0.6660%0.599SS**Hα-helixtrans-74-43.8173-74.7167.1000111.8E895 Q896 R901 G902E895-L899 VanDerWaalsContact O-CG 3.29Å; E895-L899 WeakPolarHBondContact O-CG 3.16Å; E895-L899 PolarHBondContact O-N 3.21Å; Q896-L899 PolarHBondContact O-N 3.3Å; L899-R901 VanDerWaalsContact C-N 3.33Å; L899-R901 PolarHBondContact O-N 3.28Å; L899-G902 WeakPolarHBondContact O-CA 3.48Å; L899-G902 PolarHBondContact O-N 2.83Å
900A79.7Confident71.2Confident58 Ų58121.1 Ų121.148%0.47962%0.624SS.*Hα-helixtrans-59-43.3179.400000112.3Q896 G902 D903Q896-A900 PolarHBondContact O-N 3.01Å; A900-G902 PolarHBondContact O-N 2.7Å; A900-G902 VanDerWaalsContact O-N 3.09Å; A900-D903 PolarHBondContact O-N 3.12Å
901R73.4Confident68.9Low181 Ų181123 Ų12368%0.68363%0.626SS**Hα-helixtrans-66.5-4.9173.9-67.5170.3-173.2-105.34.3114.4E897 L899E897-R901 WeakPolarHBondContact O-CD 3.5Å; E897-R901 VanDerWaalsContact O-CG 3.28Å; E897-R901 WeakPolarHBondContact O-CG 3.28Å; E897-R901 PolarHBondContact O-N 3.38Å; L899-R901 VanDerWaalsContact C-N 3.33Å; L899-R901 PolarHBondContact O-N 3.28Å
902G62.1Low66.5Low45 Ų45124.3 Ų124.346%0.46464%0.644SS.*Hα-helixtrans-91.2-23.6177.800000114.1L899 A900L899-G902 WeakPolarHBondContact O-CA 3.48Å; L899-G902 PolarHBondContact O-N 2.83Å; A900-G902 PolarHBondContact O-N 2.7Å; A900-G902 VanDerWaalsContact O-N 3.09Å
903D59.3Low64.1Low129 Ų129126.4 Ų126.469%0.6966%0.657SS**Hα-helixtrans-89.1-26.5-179.8-70.2-23000112.1A900 D905A900-D903 PolarHBondContact O-N 3.12Å; D903-D905 VanDerWaalsContact C-N 3.29Å; D903-D905 PolarHBondContact O-N 3.29Å
904D56.2Low61.6Low129 Ų129126 Ų12669%0.6967%0.666SS**THydrogen-bonded Turntrans-66.5-20.8-178.4-74.9-36.6000114.6
905D55.3Low59.2Low141 Ų141126.7 Ų126.775%0.75467%0.667SS**THydrogen-bonded Turntrans-83.9-14.8-176.2-99.1-25.7000113.8D903D903-D905 VanDerWaalsContact C-N 3.29Å; D903-D905 PolarHBondContact O-N 3.29Å
906D54.4Low56.6Low152 Ų152129.1 Ų129.181%0.81368%0.678SS**THydrogen-bonded Turntrans-94.9-17.3-176.6-94.5-28.1000114.2A908D906-A908 PolarHBondContact O-N 2.89Å
907E48.8Very low54.4Low188 Ų188128.5 Ų128.588%0.87968%0.684SS**SBendtrans-76.24178.5-87.1-94.5119.400114.1
908A46.7Very low52Low71 Ų71131.1 Ų131.159%0.58770%0.7SS**SBendtrans-112.832.9-164.100000116.4D906D906-A908 PolarHBondContact O-N 2.89Å
909K38.3Very low49.8Very low199 Ų199136.7 Ų136.787%0.86572%0.715SS**  trans-166.386.1165.3-98.2132.4-168.3161.70115.3
910E42.1Very low47.8Very low197 Ų197137.7 Ų137.792%0.92172%0.721SS**  trans177.2150.7143.6-104.2-177.617700107.8
911N40.4Very low46.1Very low101 Ų101140.1 Ų140.154%0.5473%0.732SS.*  cis-157.7129.9-1.7168.116.5000109.5Q913N911-Q913 WeakPolarHBondContact OD1-CG 3.35Å; N911-Q913 PolarHBondContact OD1-N 3.04Å
912V40.4Very low44.3Very low147 Ų147135.4 Ų135.489%0.89174%0.74SS**  trans-140.6114.2148.5-178.30000109
913Q39.6Very low43.1Very low143 Ų143142.6 Ų142.667%0.66876%0.758SS**  trans-80.7144.3174.3-65154.3-6.900110.3N911N911-Q913 WeakPolarHBondContact OD1-CG 3.35Å; N911-Q913 PolarHBondContact OD1-N 3.04Å
914T38.7Very low42.1Very low118 Ų118145.5 Ų145.572%0.72477%0.765SS**  166.2161.488.837.50000106.8
915K36.6Very low41.2Very low155 Ų155149 Ų14967%0.67477%0.774SS**  cis-164.3157.70.9-122.1163.6165.7-99.70107.2
916E35Very low40.3Very low146 Ų146146.6 Ų146.668%0.68277%0.773SS**  trans61.7135.4150.2-78149.2-137.300118.3
917T37.4Very low39.3Very low120 Ų120148.8 Ų148.874%0.73678%0.775SS**  cis-155.3165.46.564.50000107.3
918D36.7Very low38.9Very low141 Ų141149.4 Ų149.475%0.75477%0.77SS**  cis-162.6-165.8-18.3-128.6-81.6000112
919E42.3Very low38.6Very low183 Ų183156 Ų15686%0.85578%0.779SS**  trans74.9162.8162.8-64.6-123.2114.400118.8
920N40Very low38.5Very low148 Ų148155.5 Ų155.579%0.79178%0.777SS**  trans-160.1-173.1-153.7-154.96.9000108.9
921P43.9Very low38.5Very low109 Ų109153 Ų15371%0.70877%0.769SS**  cis-111.6155.7-5011.510.5000113.3
922G36.3Very low38.4Very low82 Ų82155.7 Ų155.785%0.84578%0.776SS**  trans-135.9120.317400000115.2
923K36.2Very low38Very low196 Ų196160.6 Ų160.685%0.85278%0.778SS**  trans-95.9133.5-174-61169.4-178.51690113.6
924K39.1Very low37.7Very low190 Ų190157.6 Ų157.683%0.82677%0.773SS**  161.6127.2125-87.4153.6-172.9169.20115.5
925K38Very low37.6Very low203 Ų203156.9 Ų156.988%0.88378%0.78SS**  trans64.5152.5148.1-62.6177.8178.7-179.50119.3
926A34.9Very low37.6Very low89 Ų89154.9 Ų154.974%0.73679%0.785SS**  cis-173.2158.6-24.900000113.1
927K35Very low37.9Very low198 Ų198155.9 Ų155.986%0.86179%0.794SS**  trans90.9139.4143.2-148.4173.2-172.8177.20119.7
928R39.1Very low37.8Very low202 Ų202155.4 Ų155.476%0.76279%0.791SS**  trans82.4137.8-179.9-58.3168.369.5159.1-3.6114
929R41.3Very low38Very low210 Ų210156.3 Ų156.379%0.79279%0.794SS**  cis-154.8133.2-3-122.6179.1-178179.4-3112.8
930K35.8Very low37.5Very low188 Ų188154.1 Ų154.182%0.81779%0.793SS**  trans-83.4167.4144.6-85.2178164.2-1790107.5
931L42.5Very low37.2Very low143 Ų143150 Ų15075%0.74979%0.786SS**  cis-150.8-175.51.2-146.563.9000105.3
932K38.3Very low36.7Very low158 Ų158155.2 Ų155.269%0.68780%0.797SS**  cis-160.21617.9-165.8-161.8-175.1-162.40108.8S934K932-S934 VanDerWaalsContact CE-OG 3.25Å; K932-S934 WeakPolarHBondContact CE-OG 3.07Å; K932-S934 PolarHBondContact NZ-OG 2.87Å
933R32.4Very low36.6Very low250 Ų250163.3 Ų163.394%0.94380%0.802SS**  trans-128.7126.3163-163175.7-172.2172.43.3109.3
934S32.8Very low36.7Very low80 Ų80163 Ų16356%0.55980%0.801SS**  trans-172.1101.1171.362.30000113.2K932K932-S934 VanDerWaalsContact CE-OG 3.25Å; K932-S934 WeakPolarHBondContact CE-OG 3.07Å; K932-S934 PolarHBondContact NZ-OG 2.87Å
935A36.2Very low36.6Very low104 Ų104165.6 Ų165.686%0.8681%0.806SS**  trans178.5119.9148.200000108.2
936S35.6Very low36.6Very low113 Ų113162.8 Ų162.879%0.7980%0.799SS**  trans-128.2131.7168.4-58.80000107.9
937I42.4Very low36.3Very low167 Ų167162.4 Ų162.486%0.85680%0.804SS**  trans-116.1126.9159.3-72.9179.1000106.1
938T34.3Very low36.3Very low110 Ų110156.2 Ų156.268%0.67580%0.797SS**  trans-104.9123.9-174.1-49.40000109.6T940T938-T940 HydrophobicContact CG2-CG2 3.78Å
939I42.2Very low36.3Very low160 Ų160152.5 Ų152.582%0.82179%0.791SS**  trans-114.9107.2159.7-64.9179.6000107.1G941I939-G941 PolarHBondContact O-N 3.34Å; I939-G941 VanDerWaalsContact O-N 3.09Å
940T32.1Very low36.3Very low136 Ų136145 Ų14583%0.83478%0.779SS**  trans-80.283.6178.646.20000111.2T938T938-T940 HydrophobicContact CG2-CG2 3.78Å
941G33.4Very low37Very low63 Ų63140.4 Ų140.465%0.64977%0.77SS**  trans-109.6130.4165.400000110.8I939 R943I939-G941 PolarHBondContact O-N 3.34Å; I939-G941 VanDerWaalsContact O-N 3.09Å; G941-R943 PolarHBondContact O-N 3.42Å
942K33.3Very low37.6Very low218 Ų218135.6 Ų135.695%0.94876%0.756SS**  trans-67.399.7-177.2-68.8176.1-179.4172.40111.7
943R34.6Very low39Very low251 Ų251133.1 Ų133.195%0.94775%0.75SS**  trans-108.998.1156.9-90.2-175.6166.5166-4.4110.6G941G941-R943 PolarHBondContact O-N 3.42Å
944K36.6Very low40.8Very low190 Ų190123.7 Ų123.783%0.82672%0.72SS**  trans-63.1142.5165.2-175.8179.2178.5-176.40108.1L946K944-L946 PolarHBondContact O-N 3.46Å
945R38.9Very low42.6Very low245 Ų245121.3 Ų121.393%0.92571%0.705SS**  trans-57.1126.9179-62.6-176.9-177.3-167.70.4110.6
946L36Very low44.8Very low143 Ų143120.8 Ų120.875%0.74969%0.688SS**  trans-124.6122.1152.4-86.287000107.8K944K944-L946 PolarHBondContact O-N 3.46Å
947G30.6Very low47.1Very low81 Ų81118 Ų11884%0.83566%0.662SS**  trans-89.9143.2150.600000107.6
948G33.2Very low49.1Very low69 Ų69110 Ų11071%0.71162%0.622SS**  trans94.478.8-169.500000111.9
949I40Very low51.6Low123 Ų123105.5 Ų105.563%0.63160%0.595SS**  trans-87124.4165.5-63177.3000107D953I949-D953 HydrophobicContact CG2-CB 3.73Å
950G41.8Very low53.8Low52 Ų52102.7 Ų102.754%0.53657%0.574SS.*  trans-86.8159.1172.900000111.7G952 D953G950-G952 PolarHBondContact O-N 3.3Å; G950-D953 PolarHBondContact O-N 3.45Å
951S50.8Low56.6Low92 Ų9297.8 Ų97.864%0.64354%0.54SS*.Hα-helixtrans-50.2-33.7-173.2-156.50000114.7D953 V954 A955S951-D953 VanDerWaalsContact C-N 3.33Å; S951-D953 PolarHBondContact O-N 3.02Å; S951-V954 WeakPolarHBondContact O-CB 3.04Å; S951-V954 PolarHBondContact O-N 3.41Å; S951-V954 VanDerWaalsContact O-N 3.11Å; S951-A955 PolarHBondContact O-N 2.85Å
952G54.9Low59.4Low43 Ų4395 Ų9544%0.44351%0.511SS..Hα-helixtrans-61.2-29.9-177.200000115.7G950 V954 A955 N956G950-G952 PolarHBondContact O-N 3.3Å; G952-V954 VanDerWaalsContact C-N 3.27Å; G952-V954 PolarHBondContact O-N 3.15Å; G952-A955 PolarHBondContact O-N 2.73Å; G952-N956 WeakPolarHBondContact O-CB 3.47Å; G952-N956 VanDerWaalsContact O-CG 3.24Å; G952-N956 PolarHBondContact O-N 2.96Å; G952-N956 VanDerWaalsContact O-N 3.1Å; G952-N956 PolarHBondContact O-ND2 2.91Å; G952-N956 VanDerWaalsContact O-ND2 3.1Å
953D67.8Low62.1Low105 Ų10587 Ų8756%0.56148%0.475SS*.Hα-helixtrans-66.5-31.7176.4-97.2-16000111.7I949 G950 S951 E957I949-D953 HydrophobicContact CG2-CB 3.73Å; G950-D953 PolarHBondContact O-N 3.45Å; S951-D953 VanDerWaalsContact C-N 3.33Å; S951-D953 PolarHBondContact O-N 3.02Å; D953-E957 WeakPolarHBondContact O-CB 3.39Å; D953-E957 PolarHBondContact O-N 3.11Å; D953-E957 VanDerWaalsContact O-N 3.15Å
954V69.6Low64.9Low52 Ų5280.2 Ų80.232%0.31545%0.454SS..Hα-helixtrans-71.6-45.9178-177.20000110.4M885 S951 G952 N956 E957 V958M885-V954 HydrophobicContact CE-CG1 3.96Å; S951-V954 WeakPolarHBondContact O-CB 3.04Å; S951-V954 PolarHBondContact O-N 3.41Å; S951-V954 VanDerWaalsContact O-N 3.11Å; G952-V954 VanDerWaalsContact C-N 3.27Å; G952-V954 PolarHBondContact O-N 3.15Å; V954-N956 VanDerWaalsContact C-N 3.34Å; V954-N956 PolarHBondContact O-N 2.87Å; V954-E957 PolarHBondContact O-N 2.96Å; V954-V958 VanDerWaalsContact O-CG2 3.29Å; V954-V958 WeakPolarHBondContact O-CG2 3.45Å; V954-V958 PolarHBondContact O-N 3.25Å
955A71.5Confident67.5Low31 Ų3173 Ų7326%0.25642%0.424SS..Hα-helixtrans-60.3-43.2177.600000112S951 G952 V958 A959S951-A955 PolarHBondContact O-N 2.85Å; G952-A955 PolarHBondContact O-N 2.73Å; A955-V958 PolarHBondContact O-N 3.43Å; A955-A959 WeakPolarHBondContact O-CB 3.4Å; A955-A959 PolarHBondContact O-N 3.46Å
956N80.7Confident70.1Confident92 Ų9261.4 Ų61.449%0.49238%0.381SS..Hα-helixtrans-63.2-40.7176.9-71.4-29.9000112.9G952 V954 A959 R960G952-N956 WeakPolarHBondContact O-CB 3.47Å; G952-N956 VanDerWaalsContact O-CG 3.24Å; G952-N956 PolarHBondContact O-N 2.96Å; G952-N956 VanDerWaalsContact O-N 3.1Å; G952-N956 PolarHBondContact O-ND2 2.91Å; G952-N956 VanDerWaalsContact O-ND2 3.1Å; V954-N956 VanDerWaalsContact C-N 3.34Å; V954-N956 PolarHBondContact O-N 2.87Å; N956-A959 PolarHBondContact O-N 3.44Å; N956-R960 WeakPolarHBondContact O-CB 3.44Å; N956-R960 PolarHBondContact O-N 3.1Å
957E85Confident72.8Confident54 Ų5459.2 Ų59.225%0.25237%0.366SS..Hα-helixtrans-68.7-37.7177.1172.160.3-172.300112.1M885 D953 V954 R960 R961M885-E957 HydrophobicContact CE-CB 4.11Å; M885-E957 HydrophobicContact CE-CG 3.65Å; M885-E957 HydrophobicContact SD-CG 4.3Å; D953-E957 WeakPolarHBondContact O-CB 3.39Å; D953-E957 PolarHBondContact O-N 3.11Å; D953-E957 VanDerWaalsContact O-N 3.15Å; V954-E957 PolarHBondContact O-N 2.96Å; E957-R960 VanDerWaalsContact CD-NH2 3.29Å; E957-R960 PolarHBondContact O-N 3.32Å; E957-R960 IonicContact OE1-CZ 2.78Å; E957-R960 IonicContact OE1-NE 3.58Å; E957-R960 IonicContact OE1-NH2 3.15Å; E957-R960 PolarHBondContact OE1-NH2 2.85Å; E957-R960 IonicContact OE2-CZ 3.39Å; E957-R960 IonicContact OE2-NE 3.56Å; E957-R960 PolarHBondContact OE2-NE 3.37Å; E957-R960 IonicContact OE2-NH2 3.94Å; E957-R960 PolarHBondContact OE2-NH2 2.81Å; E957-R960 VanDerWaalsContact OE2-NH2 3.16Å; E957-R961 WeakPolarHBondContact O-CG 3.32Å; E957-R961 PolarHBondContact O-N 2.86Å; E957-R961 IonicContact OE1-CZ 3.08Å; E957-R961 IonicContact OE1-NE 2.68Å; E957-R961 PolarHBondContact OE1-NE 3.13Å; E957-R961 IonicContact OE1-NH2 3.76Å; E957-R961 PolarHBondContact OE1-NH2 3.09Å
958V84.8Confident75.8Confident1 Ų162.5 Ų62.51%0.00636%0.358CS..Hα-helixtrans-63.2-49.2171.8178.30000110P863 L878 I881 F882 M885 V954 A955 R960 R961 V962P863-V958 HydrophobicContact CB-CG1 4.28Å; P863-V958 HydrophobicContact CG-CB 4.12Å; P863-V958 HydrophobicContact CG-CG1 3.51Å; L878-V958 HydrophobicContact CD2-CG1 4.49Å; I881-V958 HydrophobicContact CG2-CG1 4.3Å; F882-V958 HydrophobicContact CD1-CG2 4.09Å; F882-V958 HydrophobicContact CE1-CB 4.34Å; F882-V958 HydrophobicContact CE1-CG1 3.66Å; F882-V958 HydrophobicContact CE1-CG2 3.69Å; F882-V958 HydrophobicContact CZ-CG1 4.26Å; M885-V958 HydrophobicContact CE-CG2 4.05Å; M885-V958 HydrophobicContact SD-CG2 3.53Å; M885-V958 VanDerWaalsContact SD-CG2 3.53Å; V954-V958 VanDerWaalsContact O-CG2 3.29Å; V954-V958 WeakPolarHBondContact O-CG2 3.45Å; V954-V958 PolarHBondContact O-N 3.25Å; A955-V958 PolarHBondContact O-N 3.43Å; V958-R960 VanDerWaalsContact C-N 3.28Å; V958-R960 PolarHBondContact O-N 3.43Å; V958-R961 PolarHBondContact O-N 3.26Å; V958-R961 VanDerWaalsContact O-N 3.13Å; V958-V962 HydrophobicContact CG1-CG2 4.15Å; V958-V962 WeakPolarHBondContact O-CG2 3.43Å; V958-V962 PolarHBondContact O-N 2.81Å
959A86Confident78.5Confident14 Ų1463 Ų6312%0.11634%0.341CS..Hα-helixtrans-56.1-43.2178.200000111.6A955 N956 V962 Y963A955-A959 WeakPolarHBondContact O-CB 3.4Å; A955-A959 PolarHBondContact O-N 3.46Å; N956-A959 PolarHBondContact O-N 3.44Å; A959-V962 PolarHBondContact O-N 3.04Å; A959-Y963 WeakPolarHBondContact O-CD2 3.48Å; A959-Y963 PolarHBondContact O-N 3.39Å
960R89.5Confident81.1Confident101 Ų10159.6 Ų59.638%0.38132%0.322SS..Hα-helixtrans-58.3-49.9174.2-171-166.865.569.78.4112.3N956 E957 V958 V962 Y963 E964N956-R960 WeakPolarHBondContact O-CB 3.44Å; N956-R960 PolarHBondContact O-N 3.1Å; E957-R960 VanDerWaalsContact CD-NH2 3.29Å; E957-R960 PolarHBondContact O-N 3.32Å; E957-R960 IonicContact OE1-CZ 2.78Å; E957-R960 IonicContact OE1-NE 3.58Å; E957-R960 IonicContact OE1-NH2 3.15Å; E957-R960 PolarHBondContact OE1-NH2 2.85Å; E957-R960 IonicContact OE2-CZ 3.39Å; E957-R960 IonicContact OE2-NE 3.56Å; E957-R960 PolarHBondContact OE2-NE 3.37Å; E957-R960 IonicContact OE2-NH2 3.94Å; E957-R960 PolarHBondContact OE2-NH2 2.81Å; E957-R960 VanDerWaalsContact OE2-NH2 3.16Å; V958-R960 VanDerWaalsContact C-N 3.28Å; V958-R960 PolarHBondContact O-N 3.43Å; R960-V962 VanDerWaalsContact C-N 3.34Å; R960-V962 PolarHBondContact O-N 3.47Å; R960-Y963 PolarHBondContact O-N 2.79Å; R960-E964 IonicContact CZ-OE1 2.93Å; R960-E964 IonicContact CZ-OE2 3.83Å; R960-E964 IonicContact NH1-OE1 3.43Å; R960-E964 PolarHBondContact NH1-OE1 2.82Å; R960-E964 IonicContact NH1-OE2 3.97Å; R960-E964 PolarHBondContact NH1-OE2 3.25Å; R960-E964 WeakPolarHBondContact O-CG 3.49Å; R960-E964 PolarHBondContact O-N 3.26Å; R960-E964 VanDerWaalsContact O-N 3.09Å
961R90.9Very high83.5Confident33 Ų3362.8 Ų62.813%0.12532%0.323CS..Hα-helixtrans-62.4-39.8177.8-70.4-177.3-170.5-146.55.3111.9I881 E884 E888 E957 V958 E964 I965I881-R961 HydrophobicContact CD1-CB 4.16Å; I881-R961 HydrophobicContact CG1-CB 4.4Å; I881-R961 HydrophobicContact CG2-CB 4.18Å; E884-R961 IonicContact OE2-NH1 2.67Å; E888-R961 VanDerWaalsContact CD-NH2 3.32Å; E888-R961 IonicContact OE1-CZ 2.92Å; E888-R961 VanDerWaalsContact OE1-CZ 3.3Å; E888-R961 IonicContact OE1-NH1 2.69Å; E888-R961 PolarHBondContact OE1-NH1 3.14Å; E888-R961 IonicContact OE1-NH2 2.63Å; E888-R961 PolarHBondContact OE1-NH2 3.2Å; E888-R961 IonicContact OE2-CZ 3.38Å; E888-R961 IonicContact OE2-NH2 2.65Å; E888-R961 PolarHBondContact OE2-NH2 3.36Å; E957-R961 WeakPolarHBondContact O-CG 3.32Å; E957-R961 PolarHBondContact O-N 2.86Å; E957-R961 IonicContact OE1-CZ 3.08Å; E957-R961 IonicContact OE1-NE 2.68Å; E957-R961 PolarHBondContact OE1-NE 3.13Å; E957-R961 IonicContact OE1-NH2 3.76Å; E957-R961 PolarHBondContact OE1-NH2 3.09Å; V958-R961 PolarHBondContact O-N 3.26Å; V958-R961 VanDerWaalsContact O-N 3.13Å; R961-E964 PolarHBondContact O-N 2.94Å; R961-I965 WeakPolarHBondContact O-CG1 3.5Å; R961-I965 PolarHBondContact O-N 3.11Å
962V90.6Very high85.6Confident4 Ų460 Ų602%0.02430%0.301CS..Hα-helixtrans-61-51.1175.2170.30000110.6L878 I881 V958 A959 R960 E964 I965 M966L878-V962 HydrophobicContact CD2-CG2 3.62Å; I881-V962 HydrophobicContact CD1-CG2 3.7Å; V958-V962 HydrophobicContact CG1-CG2 4.15Å; V958-V962 WeakPolarHBondContact O-CG2 3.43Å; V958-V962 PolarHBondContact O-N 2.81Å; A959-V962 PolarHBondContact O-N 3.04Å; R960-V962 VanDerWaalsContact C-N 3.34Å; R960-V962 PolarHBondContact O-N 3.47Å; V962-E964 VanDerWaalsContact C-N 3.31Å; V962-E964 PolarHBondContact O-N 3.37Å; V962-I965 PolarHBondContact O-N 3.24Å; V962-I965 VanDerWaalsContact O-N 3.1Å; V962-M966 HydrophobicContact CG1-CG 4.15Å; V962-M966 HydrophobicContact CG1-SD 3.69Å; V962-M966 VanDerWaalsContact O-CG 3.28Å; V962-M966 WeakPolarHBondContact O-CG 3.33Å; V962-M966 PolarHBondContact O-N 3Å
963Y91.3Very high87.6Confident52 Ų5258.5 Ų58.520%0.20428%0.282CS..Hα-helixtrans-58.9-37.6178.1-93.4-77000113.2A855 M860 A959 R960 M966 E967A855-Y963 HydrophobicContact CB-CE1 3.88Å; A855-Y963 PolarHBondContact O-OH 2.96Å; M860-Y963 PolarHBondContact O-OH 3.45Å; A959-Y963 WeakPolarHBondContact O-CD2 3.48Å; A959-Y963 PolarHBondContact O-N 3.39Å; R960-Y963 PolarHBondContact O-N 2.79Å; Y963-M966 PolarHBondContact O-N 3.34Å; Y963-E967 PolarHBondContact O-N 3.04Å
964E92.4Very high89Confident108 Ų10854 Ų5451%0.50526%0.258SS..Hα-helixtrans-65.5-35.7175.9-75173.1177.600112.7R960 R961 V962 K968R960-E964 IonicContact CZ-OE1 2.93Å; R960-E964 IonicContact CZ-OE2 3.83Å; R960-E964 IonicContact NH1-OE1 3.43Å; R960-E964 PolarHBondContact NH1-OE1 2.82Å; R960-E964 IonicContact NH1-OE2 3.97Å; R960-E964 PolarHBondContact NH1-OE2 3.25Å; R960-E964 WeakPolarHBondContact O-CG 3.49Å; R960-E964 PolarHBondContact O-N 3.26Å; R960-E964 VanDerWaalsContact O-N 3.09Å; R961-E964 PolarHBondContact O-N 2.94Å; V962-E964 VanDerWaalsContact C-N 3.31Å; V962-E964 PolarHBondContact O-N 3.37Å; E964-K968 VanDerWaalsContact O-CB 3.31Å; E964-K968 WeakPolarHBondContact O-CB 3.43Å; E964-K968 PolarHBondContact O-N 3.05Å
965I92.5Very high90.3Very high39 Ų3951.7 Ų51.720%0.224%0.243CC..Hα-helixtrans-75.7-36.9173.8-61.7177.8000110.9F873 W874 T877 I881 R961 V962 K968 H969F873-I965 HydrophobicContact CE1-CG2 3.98Å; F873-I965 HydrophobicContact CZ-CG2 4.18Å; W874-I965 HydrophobicContact CH2-CG2 3.97Å; W874-I965 HydrophobicContact CZ3-CB 4.33Å; W874-I965 HydrophobicContact CZ3-CG2 3.93Å; T877-I965 HydrophobicContact CG2-CD1 3.69Å; T877-I965 HydrophobicContact CG2-CG2 4.07Å; I881-I965 HydrophobicContact CD1-CD1 4.08Å; I881-I965 HydrophobicContact CG1-CD1 4.31Å; R961-I965 WeakPolarHBondContact O-CG1 3.5Å; R961-I965 PolarHBondContact O-N 3.11Å; V962-I965 PolarHBondContact O-N 3.24Å; V962-I965 VanDerWaalsContact O-N 3.1Å; I965-K968 PolarHBondContact O-N 2.94Å; I965-H969 PolarHBondContact O-CD2 3.23Å; I965-H969 PolarHBondContact O-N 3.01Å; I965-H969 VanDerWaalsContact O-N 3.1Å
966M92.7Very high91.6Very high1 Ų150.2 Ų50.21%0.00523%0.231CC..Hα-helixtrans-59.7-54.3174.7-69.1174.693.400111.2I851 C852 A855 M860 L866 W874 V962 Y963 K968 H969 K970I851-M966 HydrophobicContact CB-CE 4.27Å; I851-M966 HydrophobicContact CD1-CE 4.06Å; I851-M966 HydrophobicContact CG1-CE 3.68Å; I851-M966 HydrophobicContact CG2-CE 3.97Å; I851-M966 WeakPolarHBondContact O-CE 3.38Å; C852-M966 HydrophobicContact CB-CB 4.27Å; A855-M966 HydrophobicContact CB-CE 3.66Å; A855-M966 HydrophobicContact CB-SD 4.39Å; M860-M966 HydrophobicContact CE-CE 3.96Å; M860-M966 HydrophobicContact CE-SD 4.19Å; L866-M966 HydrophobicContact CD1-CE 4.18Å; W874-M966 HydrophobicContact CH2-CB 4.13Å; W874-M966 HydrophobicContact CH2-CG 3.41Å; W874-M966 VanDerWaalsContact CH2-CG 3.41Å; W874-M966 HydrophobicContact CZ2-CG 3.98Å; W874-M966 HydrophobicContact CZ3-CG 3.72Å; V962-M966 HydrophobicContact CG1-CG 4.15Å; V962-M966 HydrophobicContact CG1-SD 3.69Å; V962-M966 VanDerWaalsContact O-CG 3.28Å; V962-M966 WeakPolarHBondContact O-CG 3.33Å; V962-M966 PolarHBondContact O-N 3Å; Y963-M966 PolarHBondContact O-N 3.34Å; M966-K968 VanDerWaalsContact C-N 3.26Å; M966-K968 PolarHBondContact O-N 3.12Å; M966-H969 PolarHBondContact O-N 2.81Å; M966-H969 VanDerWaalsContact O-N 3.14Å; M966-K970 WeakPolarHBondContact O-CA 3.43Å; M966-K970 VanDerWaalsContact O-CB 3.27Å; M966-K970 WeakPolarHBondContact O-CB 3.42Å; M966-K970 PolarHBondContact O-N 2.92Å
967E92.8Very high92.4Very high97 Ų9748 Ų4845%0.45322%0.216SC..Hα-helixtrans-58.5-39.1179.6176.857.6-161.400112.1C852 Y963 H969 K970C852-E967 PolarHBondContact SG-OE2 3.42Å; Y963-E967 PolarHBondContact O-N 3.04Å; E967-H969 PolarHBondContact O-N 2.85Å; E967-K970 WeakPolarHBondContact OE1-CE 3.29Å; E967-K970 IonicContact OE1-NZ 3.96Å; E967-K970 PolarHBondContact OE1-NZ 2.88Å; E967-K970 WeakPolarHBondContact OE2-CD 3.42Å; E967-K970 WeakPolarHBondContact OE2-CE 3.18Å; E967-K970 IonicContact OE2-NZ 2.68Å; E967-K970 PolarHBondContact OE2-NZ 3.06Å
968K92.9Very high93Very high149 Ų14945.5 Ų45.565%0.64820%0.204SC*.Hα-helixtrans-66.2-31.3178.2177.9-175.8169.2-168.20114E964 I965 M966E964-K968 VanDerWaalsContact O-CB 3.31Å; E964-K968 WeakPolarHBondContact O-CB 3.43Å; E964-K968 PolarHBondContact O-N 3.05Å; I965-K968 PolarHBondContact O-N 2.94Å; M966-K968 VanDerWaalsContact C-N 3.26Å; M966-K968 PolarHBondContact O-N 3.12Å
969H91.1Very high93.6Very high80 Ų8047 Ų4737%0.3721%0.211SC..Hα-helixtrans-119.94.9-172.3-68.1-79.4000114.6I965 M966 E967 E971 N972 F973I965-H969 PolarHBondContact O-CD2 3.23Å; I965-H969 PolarHBondContact O-N 3.01Å; I965-H969 VanDerWaalsContact O-N 3.1Å; M966-H969 PolarHBondContact O-N 2.81Å; M966-H969 VanDerWaalsContact O-N 3.14Å; E967-H969 PolarHBondContact O-N 2.85Å; H969-E971 VanDerWaalsContact C-N 3.3Å; H969-E971 PolarHBondContact O-N 2.93Å; H969-E971 VanDerWaalsContact O-N 3.11Å; H969-N972 WeakPolarHBondContact O-CB 3.3Å; H969-N972 PolarHBondContact O-N 2.99Å; H969-N972 PolarHBondContact O-ND2 2.75Å; H969-F973 HydrophobicContact CB-CE2 4.13Å
970K92.9Very high93.9Very high51 Ų5149.2 Ų49.222%0.22222%0.224CC..G310 helixtrans-50.9-39.8-169.463.8-175.2168.5-174.40115.5D850 C852 M966 E967 N972 F973D850-K970 HydrophobicContact CB-CB 3.89Å; D850-K970 HydrophobicContact CB-CG 4.31Å; D850-K970 WeakPolarHBondContact OD1-CB 3.41Å; C852-K970 HydrophobicContact CB-CB 3.88Å; C852-K970 HydrophobicContact CB-CD 3.99Å; M966-K970 WeakPolarHBondContact O-CA 3.43Å; M966-K970 VanDerWaalsContact O-CB 3.27Å; M966-K970 WeakPolarHBondContact O-CB 3.42Å; M966-K970 PolarHBondContact O-N 2.92Å; E967-K970 WeakPolarHBondContact OE1-CE 3.29Å; E967-K970 IonicContact OE1-NZ 3.96Å; E967-K970 PolarHBondContact OE1-NZ 2.88Å; E967-K970 WeakPolarHBondContact OE2-CD 3.42Å; E967-K970 WeakPolarHBondContact OE2-CE 3.18Å; E967-K970 IonicContact OE2-NZ 2.68Å; E967-K970 PolarHBondContact OE2-NZ 3.06Å; K970-N972 PolarHBondContact O-N 3.26Å; K970-F973 PolarHBondContact O-N 3.13Å
971E92.4Very high93.7Very high119 Ų11951.7 Ų51.756%0.55624%0.24SC*.G310 helixtrans-59.6-18.4-179.6-61.6-170.4141.300113.3Q829 H969Q829-E971 VanDerWaalsContact CG-O 3.3Å; Q829-E971 WeakPolarHBondContact CG-O 3.44Å; H969-E971 VanDerWaalsContact C-N 3.3Å; H969-E971 PolarHBondContact O-N 2.93Å; H969-E971 VanDerWaalsContact O-N 3.11Å
972N94.4Very high93.5Very high34 Ų3457.1 Ų57.118%0.18227%0.272CS..G310 helixtrans-82.4-13.7176.4-61.1-34.4000114.2W801 A802 Q829 H969 K970W801-N972 CarbonylContact C-O 3.51Å; W801-N972 WeakPolarHBondContact CA-O 3.31Å; A802-N972 PolarHBondContact N-O 2.79Å; Q829-N972 PolarHBondContact NE2-OD1 3.09Å; H969-N972 WeakPolarHBondContact O-CB 3.3Å; H969-N972 PolarHBondContact O-N 2.99Å; H969-N972 PolarHBondContact O-ND2 2.75Å; K970-N972 PolarHBondContact O-N 3.26Å
973F96.9Very high93.5Very high11 Ų1158.8 Ų58.85%0.04828%0.283CS..EExtended strand (participates in β ladder)trans-124.3107.9-169-63.2-79.7000111.5W801 D850 I851 F873 W874 H969 K970W801-F973 HydrophobicContact CB-CD1 4.13Å; W801-F973 HydrophobicContact CB-CE1 4Å; W801-F973 AromaticContact CD1-CD1 3.79Å; W801-F973 AromaticContact CD1-CE1 3.2Å; W801-F973 AromaticContact CD1-CZ 3.52Å; W801-F973 HydrophobicContact CD2-CE1 4.12Å; W801-F973 HydrophobicContact CG-CD1 4.1Å; W801-F973 AromaticContact CG-CE1 3.53Å; W801-F973 HydrophobicContact CG-CE1 3.53Å; W801-F973 HydrophobicContact CG-CZ 4.22Å; W801-F973 AromaticContact NE1-CE1 3.65Å; W801-F973 AromaticContact NE1-CZ 3.52Å; D850-F973 WeakPolarHBondContact CA-O 3.1Å; I851-F973 HydrophobicContact CB-CB 3.7Å; I851-F973 HydrophobicContact CD1-CB 4.31Å; I851-F973 HydrophobicContact CG2-CB 3.67Å; I851-F973 HydrophobicContact CG2-CD2 4.21Å; I851-F973 HydrophobicContact CG2-CG 4.18Å; I851-F973 PolarHBondContact N-O 3.03Å; I851-F973 VanDerWaalsContact N-O 3.12Å; F873-F973 HydrophobicContact CB-CE1 3.82Å; F873-F973 HydrophobicContact CB-CZ 3.61Å; F873-F973 HydrophobicContact CD1-CE1 4.26Å; F873-F973 HydrophobicContact CD1-CE2 4.01Å; F873-F973 AromaticContact CD1-CZ 3.41Å; F873-F973 HydrophobicContact CD1-CZ 3.41Å; F873-F973 VanDerWaalsContact CD1-CZ 3.41Å; F873-F973 HydrophobicContact CE1-CE2 4.39Å; F873-F973 HydrophobicContact CE1-CZ 4.19Å; F873-F973 HydrophobicContact CG-CE1 4.32Å; F873-F973 AromaticContact CG-CZ 3.61Å; F873-F973 HydrophobicContact CG-CZ 3.61Å; W874-F973 AromaticContact CZ2-CD2 3.8Å; W874-F973 HydrophobicContact CZ2-CD2 3.8Å; W874-F973 AromaticContact CZ2-CE2 3.63Å; W874-F973 HydrophobicContact CZ2-CE2 3.63Å; W874-F973 HydrophobicContact CZ2-CG 4.37Å; W874-F973 HydrophobicContact CZ2-CZ 4.06Å; W874-F973 AromaticContact NE1-CD1 3.45Å; W874-F973 AromaticContact NE1-CE1 3.39Å; W874-F973 AromaticContact NE1-CE2 3.99Å; W874-F973 AromaticContact NE1-CG 3.79Å; W874-F973 AromaticContact NE1-CZ 3.69Å; H969-F973 HydrophobicContact CB-CE2 4.13Å; K970-F973 PolarHBondContact O-N 3.13Å
974F98Very high93.4Very high12 Ų1258.1 Ų58.15%0.05329%0.285CS..EExtended strand (participates in β ladder)trans-96.4117179.8-64.5-91.1000110.9H799 I800 A802 Q829 Q833 L836 Y848 K849 I976H799-F974 WeakPolarHBondContact CA-O 3.34Å; I800-F974 HydrophobicContact CB-CB 4.3Å; I800-F974 PolarHBondContact N-O 3.43Å; I800-F974 VanDerWaalsContact N-O 3.12Å; I800-F974 PolarHBondContact O-N 3.35Å; A802-F974 HydrophobicContact CB-CD2 4.29Å; A802-F974 HydrophobicContact CB-CE2 3.85Å; Q829-F974 HydrophobicContact CB-CZ 4.28Å; Q833-F974 HydrophobicContact CG-CE1 3.72Å; Q833-F974 HydrophobicContact CG-CZ 4Å; L836-F974 HydrophobicContact CD1-CB 4.34Å; L836-F974 HydrophobicContact CD1-CD1 3.73Å; L836-F974 HydrophobicContact CD1-CE1 4.35Å; L836-F974 HydrophobicContact CD1-CG 4.18Å; Y848-F974 AromaticContact CD2-CD1 3.98Å; Y848-F974 HydrophobicContact CD2-CD1 3.98Å; Y848-F974 HydrophobicContact CD2-CE1 4.4Å; Y848-F974 HydrophobicContact CE2-CD1 4.31Å; Y848-F974 HydrophobicContact CE2-CE1 4.27Å; K849-F974 WeakPolarHBondContact O-CA 3.29Å; F974-I976 HydrophobicContact CB-CD1 4.34Å; F974-I976 HydrophobicContact CB-CG1 4.22Å
975V97.6Very high93.2Very high2 Ų258 Ų581%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-96.4122.5165.3-174.80000108.2Y848 K849 I851 D854Y848-V975 CarbonylContact C-O 3.46Å; Y848-V975 VanDerWaalsContact CA-O 3.26Å; Y848-V975 WeakPolarHBondContact CA-O 3.48Å; K849-V975 PolarHBondContact N-O 2.81Å; K849-V975 PolarHBondContact O-N 2.99Å; I851-V975 HydrophobicContact CB-CG2 4.28Å; I851-V975 HydrophobicContact CG1-CG2 4Å; D854-V975 HydrophobicContact CB-CB 4.15Å; D854-V975 HydrophobicContact CB-CG1 4.34Å; D854-V975 HydrophobicContact CB-CG2 4.15Å
976I98.4Very high93.2Very high0 Ų060.2 Ų60.20%033%0.326CS..EExtended strand (participates in β ladder)trans-122.6115.9-168.6-55.2152.1000108.5M797 A798 I800 L836 V845 F974 L978M797-I976 CarbonylContact C-O 3.24Å; M797-I976 WeakPolarHBondContact CA-O 3.25Å; A798-I976 HydrophobicContact CB-CB 4.14Å; A798-I976 HydrophobicContact CB-CD1 4.13Å; A798-I976 PolarHBondContact N-O 2.97Å; A798-I976 WeakPolarHBondContact O-CB 3.36Å; A798-I976 PolarHBondContact O-N 3.23Å; I800-I976 HydrophobicContact CD1-CD1 3.73Å; I800-I976 HydrophobicContact CG1-CD1 3.84Å; L836-I976 HydrophobicContact CD1-CD1 4.14Å; L836-I976 HydrophobicContact CD1-CG1 4.02Å; L836-I976 HydrophobicContact CD2-CD1 3.66Å; L836-I976 HydrophobicContact CD2-CG1 3.85Å; L836-I976 HydrophobicContact CD2-CG2 3.96Å; V845-I976 HydrophobicContact CB-CG2 4.29Å; V845-I976 HydrophobicContact CG1-CG2 3.72Å; V845-I976 HydrophobicContact CG2-CG2 3.51Å; F974-I976 HydrophobicContact CB-CD1 4.34Å; F974-I976 HydrophobicContact CB-CG1 4.22Å; I976-L978 HydrophobicContact CG2-CD2 4Å
977R97.7Very high93.3Very high47 Ų4761.7 Ų61.718%0.17733%0.334CS..EExtended strand (participates in β ladder)trans-95.3126.5-175.5-52.7-166.2-76.2-148.116.7110.4M797 V846 D847 K849 D854 E857M797-R977 HydrophobicContact CG-CG 4.32Å; V846-R977 WeakPolarHBondContact CB-O 3.31Å; V846-R977 PolarHBondContact N-O 2.96Å; D847-R977 PolarHBondContact O-N 3.44Å; D847-R977 WeakPolarHBondContact OD1-CB 3.46Å; D847-R977 IonicContact OD1-CZ 2.72Å; D847-R977 IonicContact OD1-NE 2.68Å; D847-R977 PolarHBondContact OD1-NE 3.28Å; D847-R977 IonicContact OD1-NH2 3.77Å; D847-R977 IonicContact OD2-CZ 2.78Å; D847-R977 IonicContact OD2-NE 2.76Å; D847-R977 IonicContact OD2-NH2 2.7Å; D847-R977 PolarHBondContact OD2-NH2 3.28Å; K849-R977 VanDerWaalsContact CE-NH2 3.25Å; K849-R977 VanDerWaalsContact NZ-NH2 3.11Å; D854-R977 IonicContact OD1-CZ 2.93Å; D854-R977 IonicContact OD1-NH1 2.66Å; D854-R977 PolarHBondContact OD1-NH1 2.77Å; E857-R977 IonicContact OE2-CZ 2.62Å; E857-R977 IonicContact OE2-NH1 3.7Å; E857-R977 PolarHBondContact OE2-NH1 3.12Å; E857-R977 IonicContact OE2-NH2 3.42Å; E857-R977 PolarHBondContact OE2-NH2 2.88Å
978L98Very high93.5Very high0 Ų061.4 Ų61.40%034%0.341CS..  trans-99.2-29.3-170.5-51.7-173.5000112.4I787 K791 T796 A798 V845 V846 I976I787-L978 HydrophobicContact CG2-CD1 4.47Å; I787-L978 HydrophobicContact CG2-CD2 3.46Å; I787-L978 VanDerWaalsContact CG2-CD2 3.46Å; K791-L978 HydrophobicContact CB-CB 4.14Å; K791-L978 HydrophobicContact CB-CD1 4.27Å; K791-L978 HydrophobicContact CD-CB 4.29Å; K791-L978 VanDerWaalsContact CD-O 3.29Å; K791-L978 WeakPolarHBondContact CD-O 3.4Å; K791-L978 WeakPolarHBondContact CE-O 3.27Å; K791-L978 HydrophobicContact CG-CB 4.26Å; K791-L978 PolarHBondContact NZ-O 2.92Å; T796-L978 WeakPolarHBondContact O-CB 3.32Å; T796-L978 PolarHBondContact O-N 3.13Å; A798-L978 HydrophobicContact CB-CD1 4.49Å; A798-L978 HydrophobicContact CB-CD2 4.45Å; V845-L978 HydrophobicContact CG2-CD2 4.27Å; V846-L978 WeakPolarHBondContact CG2-O 3.34Å; I976-L978 HydrophobicContact CG2-CD2 4Å
979H96.4Very high93.6Very high33 Ų3358.6 Ų58.615%0.15334%0.338CS..SBendtrans-126.2144177.8-71.2-83000110.2K791 F795 V984 L987K791-H979 PolarHBondContact O-NE2 2.82Å; F795-H979 PolarHBondContact O-CD2 2.87Å; F795-H979 VanDerWaalsContact O-CD2 3.27Å; H979-V984 HydrophobicContact CB-CG2 4.37Å; H979-L987 HydrophobicContact CB-CD1 4.46Å
980P92.3Very high93.9Very high60 Ų6055.8 Ų55.839%0.3933%0.325SS..  trans-58.1142.3171.3-25.936.6000112.3V846 N982 S983 V984V846-P980 HydrophobicContact CG2-CG 4.25Å; P980-N982 VanDerWaalsContact CB-OD1 3.32Å; P980-N982 WeakPolarHBondContact CB-OD1 3.36Å; P980-N982 PolarHBondContact O-N 2.59Å; P980-N982 VanDerWaalsContact O-N 3.12Å; P980-S983 WeakPolarHBondContact CD-OG 3.26Å; P980-S983 PolarHBondContact O-N 2.79Å; P980-S983 PolarHBondContact O-OG 3.46Å; P980-V984 PolarHBondContact O-N 2.93Å
981Q84.7Confident94Very high154 Ų15461.7 Ų61.772%0.7235%0.351SS*.Hα-helixtrans-56.3-36.2-172-162.770.5-600113.5S983 V984Q981-S983 VanDerWaalsContact C-N 3.31Å; Q981-S983 PolarHBondContact O-N 3.4Å; Q981-V984 PolarHBondContact O-N 3.28Å
982N88.5Confident94.2Very high146 Ų14657.7 Ų57.778%0.78133%0.333SS*.Hα-helixtrans-71.1-18.9178.264.4-24.6000114.3P980P980-N982 VanDerWaalsContact CB-OD1 3.32Å; P980-N982 WeakPolarHBondContact CB-OD1 3.36Å; P980-N982 PolarHBondContact O-N 2.59Å; P980-N982 VanDerWaalsContact O-N 3.12Å
983S90.5Very high94.2Very high39 Ų3958.6 Ų58.627%0.27334%0.341SS..Hα-helixtrans-92.1-16.9176.464.20000113.7P980 Q981 A985 A986P980-S983 WeakPolarHBondContact CD-OG 3.26Å; P980-S983 PolarHBondContact O-N 2.79Å; P980-S983 PolarHBondContact O-OG 3.46Å; Q981-S983 VanDerWaalsContact C-N 3.31Å; Q981-S983 PolarHBondContact O-N 3.4Å; S983-A985 VanDerWaalsContact C-N 3.33Å; S983-A985 PolarHBondContact O-N 3.17Å; S983-A986 PolarHBondContact O-N 3.47Å; S983-A986 VanDerWaalsContact O-N 3.08Å
984V88.9Confident94Very high39 Ų3958.7 Ų58.724%0.23634%0.342CS..Hα-helixtrans-57.3-42.9-174.8171.70000112.6T796 H979 P980 Q981 A986 L987T796-V984 HydrophobicContact CG2-CB 4.4Å; T796-V984 HydrophobicContact CG2-CG1 3.7Å; T796-V984 HydrophobicContact CG2-CG2 3.99Å; H979-V984 HydrophobicContact CB-CG2 4.37Å; P980-V984 PolarHBondContact O-N 2.93Å; Q981-V984 PolarHBondContact O-N 3.28Å; V984-A986 PolarHBondContact O-N 2.78Å; V984-L987 WeakPolarHBondContact O-CB 3.2Å; V984-L987 PolarHBondContact O-N 2.86Å
985A88Confident93.4Very high104 Ų10461.9 Ų61.986%0.8636%0.364SS*.THydrogen-bonded Turntrans-66.3-17.5-179.300000114S983S983-A985 VanDerWaalsContact C-N 3.33Å; S983-A985 PolarHBondContact O-N 3.17Å
986A92.4Very high93Very high86 Ų8666.4 Ų66.471%0.71139%0.387SS*.THydrogen-bonded Turntrans-96-1.8178.700000113.6S983 V984S983-A986 PolarHBondContact O-N 3.47Å; S983-A986 VanDerWaalsContact O-N 3.08Å; V984-A986 PolarHBondContact O-N 2.78Å
987L95.4Very high92.3Very high32 Ų3267.8 Ų67.817%0.16840%0.395CS..PPolyproline II helixtrans-71.9131.7-177.5-66.7175.4000111.5R756 T796 H979 V984R756-L987 PolarHBondContact NH2-O 2.59Å; T796-L987 HydrophobicContact CG2-CD1 3.71Å; H979-L987 HydrophobicContact CB-CD1 4.46Å; V984-L987 WeakPolarHBondContact O-CB 3.2Å; V984-L987 PolarHBondContact O-N 2.86Å
988P95.4Very high91.4Very high92 Ų9269.4 Ų69.460%0.59741%0.407SS*.PPolyproline II helixtrans-63.8161175.128.8-35.7000111.4R756R756-P988 VanDerWaalsContact CZ-O 3.31Å; R756-P988 PolarHBondContact NH1-O 3.07Å; R756-P988 PolarHBondContact NH2-O 3.35Å
989P96.3Very high90.8Very high90 Ų9069.5 Ų69.558%0.58441%0.407SS*.PPolyproline II helixtrans-54.3140.3171.9-25.234.9000111.4K991P989-K991 PolarHBondContact O-N 2.82Å
990I97.7Very high90.2Very high21 Ų2172 Ų7211%0.10842%0.419CS..PPolyproline II helixtrans-65.2129.3-179.9-62.7-174.5000108.4S748 R756 L793 F795S748-I990 PolarHBondContact OG-N 3.27Å; R756-I990 HydrophobicContact CB-CD1 4.25Å; R756-I990 HydrophobicContact CG-CD1 3.91Å; R756-I990 HydrophobicContact CG-CG1 4.46Å; L793-I990 HydrophobicContact CB-CG2 4.37Å; F795-I990 HydrophobicContact CB-CD1 4.48Å; F795-I990 HydrophobicContact CD1-CD1 3.61Å; F795-I990 HydrophobicContact CD2-CD1 3.91Å; F795-I990 HydrophobicContact CE1-CD1 3.66Å; F795-I990 HydrophobicContact CE2-CD1 3.96Å; F795-I990 HydrophobicContact CE2-CG2 3.93Å; F795-I990 HydrophobicContact CG-CD1 3.73Å; F795-I990 HydrophobicContact CZ-CD1 3.82Å; F795-I990 HydrophobicContact CZ-CG2 4.04Å
991K94.7Very high90Very high175 Ų17570 Ų7076%0.76141%0.405SS*.  trans-12788174.4-70.9-176.1-179.41790108.7P989 P993P989-K991 PolarHBondContact O-N 2.82Å; K991-P993 VanDerWaalsContact O-CD 3.32Å; K991-P993 WeakPolarHBondContact O-CD 3.14Å
992D95.5Very high90.4Very high35 Ų3562.8 Ų62.819%0.18737%0.371CS..  trans-57.1117.1170-172.79.5000109.1R721 K723 D994R721-D992 WeakPolarHBondContact CD-OD2 3.18Å; R721-D992 IonicContact CZ-OD2 3.15Å; R721-D992 IonicContact NE-OD2 3.99Å; R721-D992 IonicContact NH1-OD2 3Å; R721-D992 PolarHBondContact NH1-OD2 3.2Å; K723-D992 VanDerWaalsContact CE-OD2 3.31Å; K723-D992 WeakPolarHBondContact CE-OD2 3.27Å; K723-D992 VanDerWaalsContact NZ-CG 3.26Å; K723-D992 IonicContact NZ-OD1 2.7Å; K723-D992 PolarHBondContact NZ-OD1 3.31Å; K723-D992 IonicContact NZ-OD2 3.2Å; K723-D992 PolarHBondContact NZ-OD2 2.67Å; D992-D994 VanDerWaalsContact C-N 3.29Å; D992-D994 PolarHBondContact OD1-N 3.39Å
993P94.2Very high90.3Very high52 Ų5258.3 Ų58.334%0.33835%0.346SS..  trans-84.2-6.3-175.835.9-38.2000112.9K663 Y789 L793 K991K663-P993 HydrophobicContact CB-CG 4.42Å; K663-P993 HydrophobicContact CD-CB 3.85Å; K663-P993 HydrophobicContact CD-CG 3.84Å; Y789-P993 WeakPolarHBondContact OH-CG 3.33Å; L793-P993 HydrophobicContact CD2-CG 4.38Å; K991-P993 VanDerWaalsContact O-CD 3.32Å; K991-P993 WeakPolarHBondContact O-CD 3.14Å
994D93.7Very high89.9Confident14 Ų1459.1 Ų59.18%0.07535%0.351CS..SBendtrans-92.7145.5-176.1-72.7-17.8000111.6C662 K663 L664 D992C662-D994 HydrophobicContact CB-CB 4.07Å; C662-D994 VanDerWaalsContact CB-CG 3.47Å; C662-D994 WeakPolarHBondContact CB-OD2 3.34Å; C662-D994 PolarHBondContact SG-OD2 2.77Å; K663-D994 WeakPolarHBondContact CA-OD1 2.82Å; K663-D994 VanDerWaalsContact CB-OD1 3.24Å; K663-D994 WeakPolarHBondContact CB-OD1 3.18Å; K663-D994 WeakPolarHBondContact CG-OD1 3.45Å; K663-D994 PolarHBondContact N-OD1 3.2Å; K663-D994 PolarHBondContact N-OD2 2.87Å; L664-D994 VanDerWaalsContact CB-OD2 3.32Å; L664-D994 WeakPolarHBondContact CB-OD2 3.46Å; L664-D994 PolarHBondContact N-OD2 3.06Å; D992-D994 VanDerWaalsContact C-N 3.29Å; D992-D994 PolarHBondContact OD1-N 3.39Å
995P85.9Confident89.8Confident79 Ų7959.7 Ų59.751%0.51335%0.349SS..PPolyproline II helixtrans-71.9160.417832-35.8000111.4
996L87.6Confident89.7Confident96 Ų9656.4 Ų56.450%0.50333%0.325SS..PPolyproline II helixtrans-64.6137.8163.1-62.6179.9000109.7A693A693-L996 CarbonylContact O-C 3.53Å; A693-L996 VanDerWaalsContact O-CA 3.24Å; A693-L996 WeakPolarHBondContact O-CA 3.27Å; A693-L996 WeakPolarHBondContact O-CB 3.33Å; A693-L996 WeakPolarHBondContact O-CD2 3.42Å
997I85.2Confident89.5Confident30 Ų3053.7 Ų53.715%0.15430%0.302CS..BIsolated β-bridgetrans-122.6105.6180-56.5176.5000106.4V690 L691 A692 A693V690-I997 HydrophobicContact CB-CD1 4.21Å; V690-I997 HydrophobicContact CG1-CD1 4.17Å; V690-I997 WeakPolarHBondContact O-CD1 3.48Å; L691-I997 WeakPolarHBondContact O-CG2 3.47Å; A692-I997 CarbonylContact C-O 3.39Å; A692-I997 WeakPolarHBondContact CA-O 3.31Å; A693-I997 HydrophobicContact CB-CB 4.07Å; A693-I997 HydrophobicContact CB-CG1 4.21Å; A693-I997 PolarHBondContact N-O 3.16Å; A693-I997 PolarHBondContact O-N 2.89Å
998N77.7Confident89.3Confident80 Ų8052.4 Ų52.443%0.42830%0.295SS..  trans-81.7117.3-177.5-176.396.1000109.9N1040N998-N1040 PolarHBondContact O-ND2 3.05Å; N998-N1040 PolarHBondContact O-OD1 3.12Å
999S86.4Confident89.1Confident2 Ų248.9 Ų48.91%0.01427%0.271CS..  trans-148.399.1172.5172.10000108.1L691 L1001 M1002 E1003 E1039L691-S999 VanDerWaalsContact O-CB 3.22Å; L691-S999 WeakPolarHBondContact O-CB 3.36Å; S999-L1001 PolarHBondContact O-N 3.04Å; S999-M1002 PolarHBondContact O-N 3.36Å; S999-M1002 VanDerWaalsContact O-N 3.11Å; S999-M1002 WeakPolarHBondContact OG-CB 3.42Å; S999-M1002 PolarHBondContact OG-N 2.99Å; S999-E1003 WeakPolarHBondContact O-CB 3.44Å; S999-E1003 PolarHBondContact O-N 3.26Å; S999-E1039 VanDerWaalsContact C-OE1 3.3Å; S999-E1039 WeakPolarHBondContact CA-OE1 3.42Å; S999-E1039 WeakPolarHBondContact CA-OE2 3.38Å; S999-E1039 WeakPolarHBondContact CB-OE2 3.17Å; S999-E1039 PolarHBondContact OG-OE2 3.18Å
1000E82.7Confident88.5Confident86 Ų8650.5 Ų50.540%0.40227%0.271SS..THydrogen-bonded Turntrans-58.8-31.4178.2-65.7175-166.200110.5A1007 E1039 R1115E1000-A1007 WeakPolarHBondContact O-CB 3.46Å; E1000-E1039 WeakPolarHBondContact CA-OE1 3.36Å; E1000-E1039 PolarHBondContact N-OE1 2.76Å; E1000-R1115 IonicContact OE1-CZ 3.38Å; E1000-R1115 IonicContact OE1-NE 3.23Å; E1000-R1115 PolarHBondContact OE1-NE 2.92Å; E1000-R1115 IonicContact OE1-NH2 2.7Å; E1000-R1115 PolarHBondContact OE1-NH2 3.23Å; E1000-R1115 IonicContact OE2-CZ 2.72Å; E1000-R1115 IonicContact OE2-NE 3.94Å; E1000-R1115 PolarHBondContact OE2-NE 3.39Å; E1000-R1115 IonicContact OE2-NH2 3.89Å; E1000-R1115 PolarHBondContact OE2-NH2 2.6Å
1001L89.4Confident88Confident19 Ų1952.1 Ų52.110%0.09928%0.277CS..THydrogen-bonded Turntrans-64.2-39.5174.2-17565.6000113.7S999 F1008 K1011 E1035 L1036 E1039S999-L1001 PolarHBondContact O-N 3.04Å; L1001-F1008 HydrophobicContact CD1-CB 4.37Å; L1001-F1008 HydrophobicContact CD1-CD2 4.24Å; L1001-F1008 HydrophobicContact CG-CD2 4.38Å; L1001-F1008 PolarHBondContact O-N 3.49Å; L1001-K1011 HydrophobicContact CD1-CB 3.83Å; L1001-K1011 HydrophobicContact CD1-CG 4.12Å; L1001-E1035 HydrophobicContact CD2-CB 4.02Å; L1001-L1036 HydrophobicContact CD2-CD2 4.33Å; L1001-L1036 HydrophobicContact CD2-CG 4.48Å; L1001-E1039 WeakPolarHBondContact CB-OE1 3.42Å; L1001-E1039 PolarHBondContact N-OE1 2.66Å
1002M93Very high87.9Confident1 Ų143.8 Ų43.81%0.00524%0.241CC..THydrogen-bonded Turntrans-108.3-10-172.8-65.6-64.5172.800114.7L691 A692 A724 F726 H742 S999 C1004 F1008 M1032 L1036L691-M1002 HydrophobicContact CB-CB 4.04Å; L691-M1002 HydrophobicContact CB-CG 3.9Å; L691-M1002 HydrophobicContact CD1-CE 4.22Å; L691-M1002 HydrophobicContact CD1-CG 4.1Å; L691-M1002 HydrophobicContact CD1-SD 4.24Å; A692-M1002 HydrophobicContact CB-CB 4.01Å; A724-M1002 HydrophobicContact CB-CB 4.33Å; A724-M1002 WeakPolarHBondContact CB-O 3.48Å; F726-M1002 HydrophobicContact CE2-SD 3.74Å; F726-M1002 HydrophobicContact CZ-SD 3.7Å; H742-M1002 PolarHBondContact NE2-O 3.23Å; S999-M1002 PolarHBondContact O-N 3.36Å; S999-M1002 VanDerWaalsContact O-N 3.11Å; S999-M1002 WeakPolarHBondContact OG-CB 3.42Å; S999-M1002 PolarHBondContact OG-N 2.99Å; M1002-C1004 PolarHBondContact O-N 2.93Å; M1002-F1008 HydrophobicContact CE-CD2 3.65Å; M1002-F1008 HydrophobicContact CE-CE2 3.96Å; M1002-F1008 HydrophobicContact CE-CG 4Å; M1002-F1008 HydrophobicContact SD-CB 4.37Å; M1002-F1008 HydrophobicContact SD-CG 4.31Å; M1002-M1032 HydrophobicContact CE-CG 3.57Å; M1002-M1032 HydrophobicContact CE-SD 3.54Å; M1002-M1032 VanDerWaalsContact CE-SD 3.54Å; M1002-L1036 HydrophobicContact CE-CD1 4.25Å; M1002-L1036 HydrophobicContact CE-CD2 4.18Å; M1002-L1036 HydrophobicContact CE-CG 4.48Å; M1002-L1036 HydrophobicContact CG-CD2 3.7Å
1003E86.3Confident87.5Confident52 Ų5246.6 Ų46.624%0.24325%0.249CC..SBendtrans-67.4-16.1178.6-162.7-162.9105.300113.4A692 A694 K696 V722 S999A692-E1003 HydrophobicContact CB-CB 4.42Å; A694-E1003 HydrophobicContact CB-CG 3.89Å; K696-E1003 VanDerWaalsContact CE-CD 3.5Å; K696-E1003 WeakPolarHBondContact CE-OE1 3.5Å; K696-E1003 PolarHBondContact NZ-O 3.37Å; K696-E1003 IonicContact NZ-OE1 3.2Å; K696-E1003 PolarHBondContact NZ-OE1 3.47Å; V722-E1003 HydrophobicContact CG1-CG 3.93Å; S999-E1003 WeakPolarHBondContact O-CB 3.44Å; S999-E1003 PolarHBondContact O-N 3.26Å
1004C81.1Confident87.1Confident56 Ų5648.8 Ų48.838%0.37826%0.255SS..SBendtrans-147.6155.6170.674.30000111.6M1002 G1006M1002-C1004 PolarHBondContact O-N 2.93Å; C1004-G1006 VanDerWaalsContact C-N 3.25Å; C1004-G1006 PolarHBondContact O-N 3.21Å
1005R87.8Confident86.9Confident52 Ų5251 Ų5120%0.19626%0.264CS..Hα-helixtrans-65-28.9178.988.4-169.4-159.384.2-9.8113.5Y762 D809 D810 Y811 L1009Y762-R1005 VanDerWaalsContact CE1-CD 3.44Å; Y762-R1005 VanDerWaalsContact CZ-CD 3.47Å; D809-R1005 IonicContact OD1-CZ 2.74Å; D809-R1005 IonicContact OD1-NH1 2.77Å; D809-R1005 IonicContact OD1-NH2 3.39Å; D809-R1005 PolarHBondContact OD1-NH2 2.98Å; D809-R1005 VanDerWaalsContact OD1-NH2 3.17Å; D809-R1005 IonicContact OD2-NH2 2.88Å; D809-R1005 PolarHBondContact OD2-NH2 3.16Å; D809-R1005 VanDerWaalsContact OD2-NH2 3.11Å; D810-R1005 PolarHBondContact O-NH1 3.01Å; Y811-R1005 WeakPolarHBondContact O-CB 3.45Å; Y811-R1005 WeakPolarHBondContact O-CD 3.5Å; Y811-R1005 PolarHBondContact O-NH1 3.19Å; R1005-L1009 HydrophobicContact CG-CD1 4.21Å; R1005-L1009 WeakPolarHBondContact O-CB 3.22Å; R1005-L1009 WeakPolarHBondContact O-CG 3.37Å; R1005-L1009 PolarHBondContact O-N 3.24Å; R1005-L1009 VanDerWaalsContact O-N 3.17Å
1006G85Confident87Confident35 Ų3550.1 Ų50.136%0.36125%0.253SS..Hα-helixtrans-62.6-52.2-174.900000112.9C1004 F1008 L1009 E1010C1004-G1006 VanDerWaalsContact C-N 3.25Å; C1004-G1006 PolarHBondContact O-N 3.21Å; G1006-F1008 PolarHBondContact O-N 3.11Å; G1006-L1009 PolarHBondContact O-N 3.39Å; G1006-E1010 VanDerWaalsContact O-CB 3.29Å; G1006-E1010 WeakPolarHBondContact O-CB 3.44Å; G1006-E1010 PolarHBondContact O-N 2.91Å
1007A88.4Confident87.3Confident28 Ų2845.8 Ų45.823%0.23123%0.23CC..Hα-helixtrans-59.4-43.4-176.400000112.5E1000 E1010 K1011E1000-A1007 WeakPolarHBondContact O-CB 3.46Å; A1007-E1010 PolarHBondContact O-N 3.37Å; A1007-K1011 WeakPolarHBondContact O-CB 3.28Å; A1007-K1011 PolarHBondContact O-N 3.31Å
1008F91.8Very high87.8Confident6 Ų644.6 Ų44.63%0.02622%0.224CC..Hα-helixtrans-67.7-43176.1-177.4-119.7000112.8I812 L1001 M1002 G1006 E1010 K1011 A1012 F1019 M1032I812-F1008 HydrophobicContact CG2-CD1 4.15Å; I812-F1008 HydrophobicContact CG2-CE1 4.48Å; I812-F1008 VanDerWaalsContact O-CD1 3.23Å; I812-F1008 WeakPolarHBondContact O-CD1 3.38Å; I812-F1008 WeakPolarHBondContact O-CE1 3.46Å; L1001-F1008 HydrophobicContact CD1-CB 4.37Å; L1001-F1008 HydrophobicContact CD1-CD2 4.24Å; L1001-F1008 HydrophobicContact CG-CD2 4.38Å; L1001-F1008 PolarHBondContact O-N 3.49Å; M1002-F1008 HydrophobicContact CE-CD2 3.65Å; M1002-F1008 HydrophobicContact CE-CE2 3.96Å; M1002-F1008 HydrophobicContact CE-CG 4Å; M1002-F1008 HydrophobicContact SD-CB 4.37Å; M1002-F1008 HydrophobicContact SD-CG 4.31Å; G1006-F1008 PolarHBondContact O-N 3.11Å; F1008-E1010 VanDerWaalsContact C-N 3.3Å; F1008-E1010 PolarHBondContact O-N 2.95Å; F1008-K1011 PolarHBondContact O-N 2.9Å; F1008-A1012 WeakPolarHBondContact O-CB 3.34Å; F1008-A1012 PolarHBondContact O-N 3.3Å; F1008-F1019 HydrophobicContact CE1-CE2 4.31Å; F1008-F1019 AromaticContact CZ-CE2 3.97Å; F1008-F1019 HydrophobicContact CZ-CE2 3.97Å; F1008-F1019 HydrophobicContact CZ-CZ 4.08Å; F1008-M1032 HydrophobicContact CD2-CG 4.45Å; F1008-M1032 HydrophobicContact CE1-SD 4.35Å; F1008-M1032 HydrophobicContact CE2-CB 4.14Å; F1008-M1032 HydrophobicContact CE2-CG 3.63Å; F1008-M1032 HydrophobicContact CE2-SD 3.7Å; F1008-M1032 HydrophobicContact CZ-CG 4.09Å; F1008-M1032 HydrophobicContact CZ-SD 3.55Å; F1008-M1032 VanDerWaalsContact CZ-SD 3.55Å
1009L90.2Very high88.7Confident17 Ų1740.8 Ų40.89%0.08920%0.203CC..Hα-helixtrans-68.3-26.9177-71.9171.5000113.4D810 I812 H814 R1005 G1006 R1013D810-L1009 HydrophobicContact CB-CD2 4.17Å; D810-L1009 WeakPolarHBondContact O-CD1 3.22Å; I812-L1009 VanDerWaalsContact O-CD2 3.31Å; I812-L1009 WeakPolarHBondContact O-CD2 3.35Å; H814-L1009 HydrophobicContact CB-CD2 3.9Å; R1005-L1009 HydrophobicContact CG-CD1 4.21Å; R1005-L1009 WeakPolarHBondContact O-CB 3.22Å; R1005-L1009 WeakPolarHBondContact O-CG 3.37Å; R1005-L1009 PolarHBondContact O-N 3.24Å; R1005-L1009 VanDerWaalsContact O-N 3.17Å; G1006-L1009 PolarHBondContact O-N 3.39Å; L1009-R1013 WeakPolarHBondContact O-CG 3.33Å; L1009-R1013 PolarHBondContact O-N 3.39Å; L1009-R1013 PolarHBondContact O-NE 3.39Å
1010E85.3Confident89.1Confident124 Ų12441.2 Ų41.258%0.57921%0.207SC*.Hα-helixtrans-72.3-52.9171-176.3161.2-136.400111.1G1006 A1007 F1008 A1012 R1013 E1014G1006-E1010 VanDerWaalsContact O-CB 3.29Å; G1006-E1010 WeakPolarHBondContact O-CB 3.44Å; G1006-E1010 PolarHBondContact O-N 2.91Å; A1007-E1010 PolarHBondContact O-N 3.37Å; F1008-E1010 VanDerWaalsContact C-N 3.3Å; F1008-E1010 PolarHBondContact O-N 2.95Å; E1010-A1012 PolarHBondContact O-N 3.31Å; E1010-R1013 PolarHBondContact O-N 3.13Å; E1010-E1014 PolarHBondContact O-N 3.24Å
1011K86.6Confident89.7Confident56 Ų5638.8 Ų38.824%0.24320%0.199CC..Hα-helixtrans-57.5-36.8175.3-159.176.7-149.8162.60112.4L1001 A1007 F1008 E1014 K1015L1001-K1011 HydrophobicContact CD1-CB 3.83Å; L1001-K1011 HydrophobicContact CD1-CG 4.12Å; A1007-K1011 WeakPolarHBondContact O-CB 3.28Å; A1007-K1011 PolarHBondContact O-N 3.31Å; F1008-K1011 PolarHBondContact O-N 2.9Å; K1011-E1014 WeakPolarHBondContact CD-OE2 3.29Å; K1011-E1014 WeakPolarHBondContact CE-OE1 3.3Å; K1011-E1014 VanDerWaalsContact CE-OE2 3.27Å; K1011-E1014 WeakPolarHBondContact CE-OE2 3.35Å; K1011-E1014 IonicContact NZ-OE1 3.28Å; K1011-E1014 PolarHBondContact NZ-OE1 3.03Å; K1011-E1014 IonicContact NZ-OE2 2.69Å; K1011-E1014 PolarHBondContact NZ-OE2 3.41Å; K1011-K1015 PolarHBondContact O-N 2.88Å
1012A92.5Very high90.1Very high0 Ų039.9 Ų39.90%021%0.205CC..Hα-helixtrans-69.6-36.1177.400000112.9H814 F1008 E1010 H1016 L1017H814-A1012 HydrophobicContact CB-CB 3.61Å; F1008-A1012 WeakPolarHBondContact O-CB 3.34Å; F1008-A1012 PolarHBondContact O-N 3.3Å; E1010-A1012 PolarHBondContact O-N 3.31Å; A1012-H1016 CarbonylContact O-C 3.5Å; A1012-H1016 WeakPolarHBondContact O-CA 3.45Å; A1012-H1016 PolarHBondContact O-N 3.49Å; A1012-H1016 VanDerWaalsContact O-N 3.15Å; A1012-L1017 HydrophobicContact CB-CB 4.09Å; A1012-L1017 PolarHBondContact O-N 3.47Å
1013R87.2Confident90.3Very high94 Ų9441.6 Ų41.636%0.35521%0.211SC..Hα-helixtrans-68.9-46.9172-77.5175.7-67.1160.65.7111.4H814 L1009 E1010 K1015 H1016H814-R1013 WeakPolarHBondContact NE2-CG 3.23Å; L1009-R1013 WeakPolarHBondContact O-CG 3.33Å; L1009-R1013 PolarHBondContact O-N 3.39Å; L1009-R1013 PolarHBondContact O-NE 3.39Å; E1010-R1013 PolarHBondContact O-N 3.13Å; R1013-K1015 VanDerWaalsContact C-N 3.35Å; R1013-K1015 PolarHBondContact O-N 3.09Å; R1013-H1016 PolarHBondContact O-N 2.75Å
1014E85Confident90.8Very high97 Ų9739.9 Ų39.945%0.45320%0.202SC..Hα-helixtrans-55.3-44.7177.8-177.7-152.3130.100112.8E1010 K1011E1010-E1014 PolarHBondContact O-N 3.24Å; K1011-E1014 WeakPolarHBondContact CD-OE2 3.29Å; K1011-E1014 WeakPolarHBondContact CE-OE1 3.3Å; K1011-E1014 VanDerWaalsContact CE-OE2 3.27Å; K1011-E1014 WeakPolarHBondContact CE-OE2 3.35Å; K1011-E1014 IonicContact NZ-OE1 3.28Å; K1011-E1014 PolarHBondContact NZ-OE1 3.03Å; K1011-E1014 IonicContact NZ-OE2 2.69Å; K1011-E1014 PolarHBondContact NZ-OE2 3.41Å
1015K89.2Confident91.6Very high60 Ų6037.2 Ų37.226%0.26118%0.184SC..THydrogen-bonded Turntrans-98.210.7-177.2-71.4-167.1168.8-1710114.6K1011 R1013 L1017 V1031 E1035K1011-K1015 PolarHBondContact O-N 2.88Å; R1013-K1015 VanDerWaalsContact C-N 3.35Å; R1013-K1015 PolarHBondContact O-N 3.09Å; K1015-L1017 VanDerWaalsContact C-N 3.29Å; K1015-L1017 HydrophobicContact CB-CD1 4.03Å; K1015-L1017 HydrophobicContact CB-CD2 3.99Å; K1015-L1017 HydrophobicContact CB-CG 3.73Å; K1015-L1017 WeakPolarHBondContact O-CD2 3.31Å; K1015-L1017 PolarHBondContact O-N 3.23Å; K1015-V1031 HydrophobicContact CD-CG1 4.3Å; K1015-E1035 IonicContact NZ-OE1 2.65Å; K1015-E1035 PolarHBondContact NZ-OE1 3.48Å
1016H89.9Confident92.1Very high61 Ų6135.4 Ų35.428%0.28218%0.178SC..THydrogen-bonded Turntrans52.842-177.9-50.6-106.4000113.6Y528 E606 A1012 R1013 E1018Y528-H1016 HydrophobicContact CD1-CB 3.72Å; Y528-H1016 HydrophobicContact CD2-CB 4.14Å; Y528-H1016 HydrophobicContact CE1-CB 3.61Å; Y528-H1016 VanDerWaalsContact CE1-O 3.25Å; Y528-H1016 WeakPolarHBondContact CE1-O 3.46Å; Y528-H1016 HydrophobicContact CE2-CB 4.04Å; Y528-H1016 HydrophobicContact CG-CB 3.98Å; E606-H1016 IonicContact OE2-CE1 2.65Å; E606-H1016 PolarHBondContact OE2-CE1 2.85Å; E606-H1016 IonicContact OE2-ND1 2.73Å; E606-H1016 IonicContact OE2-NE2 2.71Å; A1012-H1016 CarbonylContact O-C 3.5Å; A1012-H1016 WeakPolarHBondContact O-CA 3.45Å; A1012-H1016 PolarHBondContact O-N 3.49Å; A1012-H1016 VanDerWaalsContact O-N 3.15Å; R1013-H1016 PolarHBondContact O-N 2.75Å; H1016-E1018 PolarHBondContact O-N 2.86Å
1017L93.8Very high92.7Very high5 Ų534 Ų343%0.02616%0.162CC..  trans-89.473.7-177.9-50-179000111A1012 K1015 Y1027 S1028 V1031A1012-L1017 HydrophobicContact CB-CB 4.09Å; A1012-L1017 PolarHBondContact O-N 3.47Å; K1015-L1017 VanDerWaalsContact C-N 3.29Å; K1015-L1017 HydrophobicContact CB-CD1 4.03Å; K1015-L1017 HydrophobicContact CB-CD2 3.99Å; K1015-L1017 HydrophobicContact CB-CG 3.73Å; K1015-L1017 WeakPolarHBondContact O-CD2 3.31Å; K1015-L1017 PolarHBondContact O-N 3.23Å; L1017-Y1027 HydrophobicContact CD2-CD1 4.39Å; L1017-Y1027 HydrophobicContact CD2-CE1 4.08Å; L1017-S1028 VanDerWaalsContact CA-OG 3.28Å; L1017-S1028 WeakPolarHBondContact CA-OG 3.39Å; L1017-V1031 HydrophobicContact CD1-CB 4.01Å; L1017-V1031 HydrophobicContact CD1-CG1 3.7Å; L1017-V1031 HydrophobicContact CD2-CB 3.89Å; L1017-V1031 HydrophobicContact CD2-CG1 4.01Å; L1017-V1031 HydrophobicContact CD2-CG2 3.89Å
1018E94.9Very high93.1Very high5 Ų532.7 Ų32.72%0.02315%0.151CC..  trans-75.5156.8174.2-55.5177.6-152.200112.4Y528 Q529 H814 M815 H1016 S1020 R1024 S1028Y528-E1018 WeakPolarHBondContact CA-OE1 3.37Å; Q529-E1018 PolarHBondContact N-OE1 2.78Å; H814-E1018 CarbonylContact O-C 3.59Å; H814-E1018 WeakPolarHBondContact O-CA 3.27Å; M815-E1018 HydrophobicContact CB-CB 4.13Å; M815-E1018 HydrophobicContact CB-CG 4Å; M815-E1018 HydrophobicContact CG-CG 4.31Å; H1016-E1018 PolarHBondContact O-N 2.86Å; E1018-S1020 VanDerWaalsContact OE2-CB 3.28Å; E1018-S1020 WeakPolarHBondContact OE2-CB 3.22Å; E1018-S1020 PolarHBondContact OE2-OG 3.49Å; E1018-R1024 HydrophobicContact CB-CB 4.39Å; E1018-R1024 CarbonylContact O-C 3.58Å; E1018-R1024 WeakPolarHBondContact O-CB 3.44Å; E1018-R1024 IonicContact OE1-CZ 3.9Å; E1018-R1024 IonicContact OE1-NH1 2.68Å; E1018-R1024 PolarHBondContact OE1-NH1 3.08Å; E1018-R1024 IonicContact OE2-CZ 3.98Å; E1018-R1024 IonicContact OE2-NH1 3.47Å; E1018-R1024 PolarHBondContact OE2-NH1 3.23Å; E1018-S1028 PolarHBondContact N-OG 2.86Å; E1018-S1028 PolarHBondContact O-OG 3.46Å
1019F96.8Very high93.4Very high0 Ų032.4 Ų32.40%015%0.15CC..  trans-111.122.9166.2-68.1-102.1000112.1V766 F768 F813 H814 M815 F1008 S1021 A1025V766-F1019 HydrophobicContact CB-CB 4.45Å; V766-F1019 HydrophobicContact CG1-CB 3.59Å; V766-F1019 HydrophobicContact CG1-CD1 4.45Å; V766-F1019 HydrophobicContact CG1-CG 4.28Å; V766-F1019 HydrophobicContact CG2-CD1 4.15Å; F768-F1019 VanDerWaalsContact CE2-O 3.27Å; F768-F1019 WeakPolarHBondContact CE2-O 3.44Å; F813-F1019 HydrophobicContact CB-CB 4.26Å; F813-F1019 HydrophobicContact CB-CD2 4.07Å; F813-F1019 HydrophobicContact CB-CG 4.08Å; F813-F1019 AromaticContact CD1-CD1 3.82Å; F813-F1019 HydrophobicContact CD1-CD1 3.82Å; F813-F1019 HydrophobicContact CD1-CD2 4.07Å; F813-F1019 AromaticContact CD1-CE1 3.73Å; F813-F1019 HydrophobicContact CD1-CE1 3.73Å; F813-F1019 AromaticContact CD1-CE2 3.98Å; F813-F1019 HydrophobicContact CD1-CE2 3.98Å; F813-F1019 HydrophobicContact CD1-CG 4Å; F813-F1019 AromaticContact CD1-CZ 3.82Å; F813-F1019 HydrophobicContact CD1-CZ 3.82Å; F813-F1019 HydrophobicContact CE1-CD1 4.47Å; F813-F1019 HydrophobicContact CE1-CE1 4.09Å; F813-F1019 HydrophobicContact CE1-CZ 4.3Å; F813-F1019 HydrophobicContact CG-CG 4.43Å; H814-F1019 PolarHBondContact O-N 3.43Å; M815-F1019 CarbonylContact O-C 3.59Å; M815-F1019 VanDerWaalsContact O-C 3.24Å; M815-F1019 PolarHBondContact O-N 3.08Å; F1008-F1019 HydrophobicContact CE1-CE2 4.31Å; F1008-F1019 AromaticContact CZ-CE2 3.97Å; F1008-F1019 HydrophobicContact CZ-CE2 3.97Å; F1008-F1019 HydrophobicContact CZ-CZ 4.08Å; F1019-S1021 VanDerWaalsContact C-N 3.29Å; F1019-S1021 PolarHBondContact O-N 2.9Å; F1019-A1025 HydrophobicContact CB-CB 4.43Å; F1019-A1025 HydrophobicContact CD1-CB 3.82Å; F1019-A1025 HydrophobicContact CG-CB 4.5Å
1020S94.2Very high93.8Very high12 Ų1231.6 Ų31.68%0.08415%0.146CC..SBendtrans-74.1-10.9-170.663.60000115.8M815 P817 E1018M815-S1020 VanDerWaalsContact O-CA 3.26Å; M815-S1020 WeakPolarHBondContact O-CA 3.18Å; M815-S1020 WeakPolarHBondContact O-CB 3.25Å; M815-S1020 PolarHBondContact O-N 2.73Å; P817-S1020 WeakPolarHBondContact CA-O 3.4Å; E1018-S1020 VanDerWaalsContact OE2-CB 3.28Å; E1018-S1020 WeakPolarHBondContact OE2-CB 3.22Å; E1018-S1020 PolarHBondContact OE2-OG 3.49Å
1021S96.2Very high94.3Very high35 Ų3525.8 Ų25.825%0.24512%0.119CC..SBendtrans-155.9156.817958.90000109.8F1019 R1023 R1024 A1025F1019-S1021 VanDerWaalsContact C-N 3.29Å; F1019-S1021 PolarHBondContact O-N 2.9Å; S1021-R1023 PolarHBondContact O-N 2.93Å; S1021-R1023 WeakPolarHBondContact OG-CG 3.4Å; S1021-R1024 CarbonylContact O-C 3.52Å; S1021-R1024 PolarHBondContact O-N 2.89Å; S1021-R1024 PolarHBondContact OG-N 3.21Å; S1021-A1025 WeakPolarHBondContact O-CB 3.44Å; S1021-A1025 PolarHBondContact O-N 3.4Å
1022L97Very high94.7Very high41 Ų4123.2 Ų23.222%0.21511%0.107CC..Hα-helixtrans-59-36-175.7179.559.9000112.1I731 V736 F768 R770 K1026I731-L1022 HydrophobicContact CD1-CD1 4.46Å; I731-L1022 HydrophobicContact CG2-CD1 4.49Å; I731-L1022 HydrophobicContact CG2-CD2 4.32Å; V736-L1022 HydrophobicContact CG2-CD1 4.08Å; F768-L1022 HydrophobicContact CB-CD1 4.08Å; F768-L1022 HydrophobicContact CD1-CB 3.78Å; F768-L1022 HydrophobicContact CD1-CD1 3.97Å; F768-L1022 HydrophobicContact CD1-CG 4.42Å; F768-L1022 HydrophobicContact CE1-CB 3.76Å; F768-L1022 HydrophobicContact CG-CD1 4.02Å; F768-L1022 VanDerWaalsContact CZ-N 3.33Å; R770-L1022 VanDerWaalsContact NH2-CD2 3.32Å; L1022-K1026 HydrophobicContact CD1-CG 4.45Å; L1022-K1026 WeakPolarHBondContact O-CB 3.32Å; L1022-K1026 WeakPolarHBondContact O-CG 3.29Å; L1022-K1026 PolarHBondContact O-N 3.23Å
1023R96.6Very high94.8Very high38 Ų3823.2 Ų23.214%0.14311%0.107CC..Hα-helixtrans-63.8-44.2174.560.3-173.4-67.9-73.84.3112.3E608 V623 C624 S1021 Y1027E608-R1023 VanDerWaalsContact CD-NH1 3.33Å; E608-R1023 IonicContact OE1-CZ 3.58Å; E608-R1023 IonicContact OE1-NH1 2.66Å; E608-R1023 PolarHBondContact OE1-NH1 3.06Å; E608-R1023 IonicContact OE1-NH2 3.66Å; E608-R1023 IonicContact OE2-CZ 3.89Å; E608-R1023 IonicContact OE2-NH1 2.71Å; E608-R1023 PolarHBondContact OE2-NH1 2.82Å; E608-R1023 VanDerWaalsContact OE2-NH1 3.15Å; E608-R1023 IonicContact OE2-NH2 2.61Å; E608-R1023 PolarHBondContact OE2-NH2 3.07Å; V623-R1023 HydrophobicContact CG1-CB 4.09Å; V623-R1023 HydrophobicContact CG1-CG 4.22Å; V623-R1023 WeakPolarHBondContact CG1-O 3.18Å; C624-R1023 PolarHBondContact SG-NE 3.29Å; C624-R1023 PolarHBondContact SG-NH2 3.07Å; S1021-R1023 PolarHBondContact O-N 2.93Å; S1021-R1023 WeakPolarHBondContact OG-CG 3.4Å; R1023-Y1027 PolarHBondContact O-N 3.49Å
1024R97.3Very high95.2Very high15 Ų1520.8 Ų20.86%0.05710%0.098CC..Hα-helixtrans-69.4-45.4175.5-69.9-170.5-177.7157.24.7111.5Y527 E608 V623 E1018 S1021 K1026 Y1027 S1028Y527-R1024 PolarHBondContact O-NH1 3.47Å; Y527-R1024 VanDerWaalsContact O-NH1 3.12Å; Y527-R1024 PolarHBondContact O-NH2 3.27Å; E608-R1024 IonicContact OE1-CZ 2.68Å; E608-R1024 IonicContact OE1-NE 2.83Å; E608-R1024 PolarHBondContact OE1-NE 2.9Å; E608-R1024 IonicContact OE1-NH2 2.65Å; E608-R1024 PolarHBondContact OE1-NH2 3.31Å; V623-R1024 HydrophobicContact CG1-CG 3.94Å; E1018-R1024 HydrophobicContact CB-CB 4.39Å; E1018-R1024 CarbonylContact O-C 3.58Å; E1018-R1024 WeakPolarHBondContact O-CB 3.44Å; E1018-R1024 IonicContact OE1-CZ 3.9Å; E1018-R1024 IonicContact OE1-NH1 2.68Å; E1018-R1024 PolarHBondContact OE1-NH1 3.08Å; E1018-R1024 IonicContact OE2-CZ 3.98Å; E1018-R1024 IonicContact OE2-NH1 3.47Å; E1018-R1024 PolarHBondContact OE2-NH1 3.23Å; S1021-R1024 CarbonylContact O-C 3.52Å; S1021-R1024 PolarHBondContact O-N 2.89Å; S1021-R1024 PolarHBondContact OG-N 3.21Å; R1024-K1026 VanDerWaalsContact C-N 3.33Å; R1024-K1026 PolarHBondContact O-N 2.9Å; R1024-Y1027 CarbonylContact O-C 3.5Å; R1024-Y1027 PolarHBondContact O-N 2.92Å; R1024-S1028 WeakPolarHBondContact O-CB 3.3Å; R1024-S1028 PolarHBondContact O-N 3.16Å; R1024-S1028 PolarHBondContact O-OG 3.38Å
1025A98.1Very high95.4Very high0 Ų018.2 Ų18.20%09%0.086CC..Hα-helixtrans-58-39.717600000113.4V736 F768 F1019 S1021 T1029V736-A1025 HydrophobicContact CG1-CB 4.17Å; F768-A1025 HydrophobicContact CD2-CB 3.82Å; F768-A1025 HydrophobicContact CE2-CB 3.61Å; F768-A1025 HydrophobicContact CZ-CB 4.42Å; F1019-A1025 HydrophobicContact CB-CB 4.43Å; F1019-A1025 HydrophobicContact CD1-CB 3.82Å; F1019-A1025 HydrophobicContact CG-CB 4.5Å; S1021-A1025 WeakPolarHBondContact O-CB 3.44Å; S1021-A1025 PolarHBondContact O-N 3.4Å; A1025-T1029 VanDerWaalsContact O-CB 3.26Å; A1025-T1029 WeakPolarHBondContact O-CB 3.32Å; A1025-T1029 PolarHBondContact O-N 2.92Å; A1025-T1029 PolarHBondContact O-OG1 3.17Å
1026K97.5Very high95.5Very high14 Ų1416 Ų166%0.0618%0.077CC..Hα-helixtrans-59.4-49.3170.4-80.3-177.7-175.6-161.10112.1I626 I731 D732 Q734 V736 L1022 R1024 T1029 L1030I626-K1026 HydrophobicContact CD1-CB 4.19Å; I626-K1026 HydrophobicContact CD1-CD 3.89Å; I731-K1026 VanDerWaalsContact O-CE 3.22Å; I731-K1026 WeakPolarHBondContact O-CE 3.48Å; I731-K1026 PolarHBondContact O-NZ 2.94Å; D732-K1026 IonicContact OD2-NZ 3.9Å; D732-K1026 PolarHBondContact OD2-NZ 2.69Å; Q734-K1026 HydrophobicContact CB-CD 4.02Å; Q734-K1026 HydrophobicContact CB-CG 4.32Å; Q734-K1026 HydrophobicContact CG-CB 3.9Å; Q734-K1026 HydrophobicContact CG-CD 3.93Å; Q734-K1026 HydrophobicContact CG-CG 3.76Å; V736-K1026 HydrophobicContact CG2-CB 4.41Å; V736-K1026 HydrophobicContact CG2-CD 4.4Å; V736-K1026 HydrophobicContact CG2-CG 3.37Å; L1022-K1026 HydrophobicContact CD1-CG 4.45Å; L1022-K1026 WeakPolarHBondContact O-CB 3.32Å; L1022-K1026 WeakPolarHBondContact O-CG 3.29Å; L1022-K1026 PolarHBondContact O-N 3.23Å; R1024-K1026 VanDerWaalsContact C-N 3.33Å; R1024-K1026 PolarHBondContact O-N 2.9Å; K1026-T1029 PolarHBondContact O-N 2.86Å; K1026-L1030 PolarHBondContact O-N 3.27Å
1027Y97.8Very high95.4Very high6 Ų615.3 Ų15.32%0.0247%0.074CC..Hα-helixtrans-66.6-45.6-179.4-177.6-101000112.9R622 V623 Y627 L1017 R1023 R1024 T1029 L1030 V1031R622-Y1027 HydrophobicContact CG-CE2 4.12Å; R622-Y1027 PolarHBondContact NE-OH 2.83Å; V623-Y1027 HydrophobicContact CB-CG 4.45Å; V623-Y1027 HydrophobicContact CG1-CG 4.48Å; V623-Y1027 HydrophobicContact CG2-CD1 4.04Å; V623-Y1027 HydrophobicContact CG2-CG 4.12Å; Y627-Y1027 WeakPolarHBondContact O-CE2 3.48Å; L1017-Y1027 HydrophobicContact CD2-CD1 4.39Å; L1017-Y1027 HydrophobicContact CD2-CE1 4.08Å; R1023-Y1027 PolarHBondContact O-N 3.49Å; R1024-Y1027 CarbonylContact O-C 3.5Å; R1024-Y1027 PolarHBondContact O-N 2.92Å; Y1027-T1029 VanDerWaalsContact C-N 3.29Å; Y1027-T1029 PolarHBondContact O-N 2.89Å; Y1027-L1030 WeakPolarHBondContact O-CB 3.21Å; Y1027-L1030 PolarHBondContact O-N 3.28Å; Y1027-L1030 VanDerWaalsContact O-N 3.13Å; Y1027-V1031 HydrophobicContact CD1-CG2 4.38Å; Y1027-V1031 HydrophobicContact CE1-CG2 3.84Å; Y1027-V1031 HydrophobicContact CE2-CG2 4.29Å; Y1027-V1031 PolarHBondContact O-N 3.38Å
1028S97.9Very high94.7Very high1 Ų116.8 Ų16.81%0.0078%0.082CC..Hα-helixtrans-62.7-35.8176-580000111.7L1017 E1018 R1024 M1032L1017-S1028 VanDerWaalsContact CA-OG 3.28Å; L1017-S1028 WeakPolarHBondContact CA-OG 3.39Å; E1018-S1028 PolarHBondContact N-OG 2.86Å; E1018-S1028 PolarHBondContact O-OG 3.46Å; R1024-S1028 WeakPolarHBondContact O-CB 3.3Å; R1024-S1028 PolarHBondContact O-N 3.16Å; R1024-S1028 PolarHBondContact O-OG 3.38Å; S1028-M1032 WeakPolarHBondContact O-CB 3.49Å; S1028-M1032 PolarHBondContact O-N 2.69Å
1029T98.2Very high93.7Very high0 Ų018.1 Ų18.10%09%0.088CC..Hα-helixtrans-65.4-43.7171.1-57.80000111.8F728 E735 C737 A1025 K1026 Y1027 V1031 M1032 L1033F728-T1029 HydrophobicContact CD1-CG2 3.95Å; F728-T1029 HydrophobicContact CE1-CG2 4.11Å; E735-T1029 WeakPolarHBondContact O-CG2 3.3Å; C737-T1029 HydrophobicContact CB-CG2 4.08Å; C737-T1029 PolarHBondContact N-OG1 3.03Å; A1025-T1029 VanDerWaalsContact O-CB 3.26Å; A1025-T1029 WeakPolarHBondContact O-CB 3.32Å; A1025-T1029 PolarHBondContact O-N 2.92Å; A1025-T1029 PolarHBondContact O-OG1 3.17Å; K1026-T1029 PolarHBondContact O-N 2.86Å; Y1027-T1029 VanDerWaalsContact C-N 3.29Å; Y1027-T1029 PolarHBondContact O-N 2.89Å; T1029-V1031 PolarHBondContact O-N 3.2Å; T1029-M1032 PolarHBondContact O-N 3.4Å; T1029-L1033 HydrophobicContact CG2-CD1 3.75Å; T1029-L1033 HydrophobicContact CG2-CG 4.24Å; T1029-L1033 WeakPolarHBondContact O-CB 3.34Å; T1029-L1033 VanDerWaalsContact O-CG 3.25Å; T1029-L1033 WeakPolarHBondContact O-CG 3.26Å; T1029-L1033 PolarHBondContact O-N 2.96Å
1030L96.9Very high91.7Very high0 Ų022 Ų220%011%0.109CC..Hα-helixtrans-57.4-49.4176-178.980.3000111.4I626 L628 I631 W632 K1026 Y1027 L1033 Y1034I626-L1030 HydrophobicContact CG2-CD2 4.07Å; L628-L1030 HydrophobicContact CB-CD2 4.07Å; I631-L1030 HydrophobicContact CD1-CD1 3.66Å; I631-L1030 HydrophobicContact CD1-CD2 4.15Å; I631-L1030 HydrophobicContact CD1-CG 3.77Å; W632-L1030 HydrophobicContact CH2-CD1 4.06Å; W632-L1030 HydrophobicContact CH2-CD2 4.41Å; W632-L1030 HydrophobicContact CZ3-CD1 4.36Å; W632-L1030 HydrophobicContact CZ3-CD2 3.97Å; K1026-L1030 PolarHBondContact O-N 3.27Å; Y1027-L1030 WeakPolarHBondContact O-CB 3.21Å; Y1027-L1030 PolarHBondContact O-N 3.28Å; Y1027-L1030 VanDerWaalsContact O-N 3.13Å; L1030-L1033 PolarHBondContact O-N 3.24Å; L1030-Y1034 PolarHBondContact O-N 2.97Å
1031V96.3Very high89.7Confident2 Ų225.7 Ų25.71%0.01212%0.121CC..Hα-helixtrans-65.9-45.8179.2-1790000110.7L628 K1015 L1017 Y1027 T1029 L1033 Y1034 E1035L628-V1031 HydrophobicContact CD1-CG2 4.37Å; L628-V1031 HydrophobicContact CD2-CG2 4.2Å; K1015-V1031 HydrophobicContact CD-CG1 4.3Å; L1017-V1031 HydrophobicContact CD1-CB 4.01Å; L1017-V1031 HydrophobicContact CD1-CG1 3.7Å; L1017-V1031 HydrophobicContact CD2-CB 3.89Å; L1017-V1031 HydrophobicContact CD2-CG1 4.01Å; L1017-V1031 HydrophobicContact CD2-CG2 3.89Å; Y1027-V1031 HydrophobicContact CD1-CG2 4.38Å; Y1027-V1031 HydrophobicContact CE1-CG2 3.84Å; Y1027-V1031 HydrophobicContact CE2-CG2 4.29Å; Y1027-V1031 PolarHBondContact O-N 3.38Å; T1029-V1031 PolarHBondContact O-N 3.2Å; V1031-L1033 VanDerWaalsContact C-N 3.33Å; V1031-L1033 PolarHBondContact O-N 2.99Å; V1031-Y1034 WeakPolarHBondContact O-CB 3.47Å; V1031-Y1034 PolarHBondContact O-N 2.94Å; V1031-Y1034 VanDerWaalsContact O-N 3.13Å; V1031-E1035 HydrophobicContact CG1-CG 4.39Å; V1031-E1035 WeakPolarHBondContact O-CG 3.05Å; V1031-E1035 PolarHBondContact O-N 3.05Å
1032M95.3Very high87.1Confident1 Ų128 Ų281%0.00513%0.128CC..Hα-helixtrans-56.6-44.8177.3-175.9-17380.700112.1F728 C737 M1002 F1008 S1028 T1029 E1035 L1036F728-M1032 HydrophobicContact CE1-CE 3.42Å; F728-M1032 VanDerWaalsContact CE1-CE 3.42Å; F728-M1032 HydrophobicContact CZ-CE 3.67Å; C737-M1032 HydrophobicContact CB-CE 3.93Å; M1002-M1032 HydrophobicContact CE-CG 3.57Å; M1002-M1032 HydrophobicContact CE-SD 3.54Å; M1002-M1032 VanDerWaalsContact CE-SD 3.54Å; F1008-M1032 HydrophobicContact CD2-CG 4.45Å; F1008-M1032 HydrophobicContact CE1-SD 4.35Å; F1008-M1032 HydrophobicContact CE2-CB 4.14Å; F1008-M1032 HydrophobicContact CE2-CG 3.63Å; F1008-M1032 HydrophobicContact CE2-SD 3.7Å; F1008-M1032 HydrophobicContact CZ-CG 4.09Å; F1008-M1032 HydrophobicContact CZ-SD 3.55Å; F1008-M1032 VanDerWaalsContact CZ-SD 3.55Å; S1028-M1032 WeakPolarHBondContact O-CB 3.49Å; S1028-M1032 PolarHBondContact O-N 2.69Å; T1029-M1032 PolarHBondContact O-N 3.4Å; M1032-E1035 PolarHBondContact O-N 3.43Å; M1032-L1036 HydrophobicContact CE-CD1 4.33Å; M1032-L1036 HydrophobicContact CG-CD1 3.96Å; M1032-L1036 WeakPolarHBondContact O-CD1 3.36Å; M1032-L1036 WeakPolarHBondContact O-CG 3.21Å; M1032-L1036 PolarHBondContact O-N 3.28Å
1033L95.5Very high84.8Confident0 Ų028.4 Ų28.40%013%0.133CC..Hα-helixtrans-65.9-39.2177.1-70.2170.4000112F654 A656 L659 F728 E735 T1029 L1030 V1031 L1036 H1037F654-L1033 WeakPolarHBondContact O-CB 3.37Å; A656-L1033 HydrophobicContact CB-CD1 4.26Å; A656-L1033 HydrophobicContact CB-CD2 3.92Å; L659-L1033 HydrophobicContact CD1-CD2 3.63Å; L659-L1033 HydrophobicContact CG-CD2 4.41Å; F728-L1033 HydrophobicContact CE1-CD1 4.41Å; F728-L1033 HydrophobicContact CE1-CD2 3.77Å; F728-L1033 HydrophobicContact CE1-CG 4.24Å; F728-L1033 HydrophobicContact CZ-CD2 4.07Å; E735-L1033 WeakPolarHBondContact OE2-CD1 3.25Å; T1029-L1033 HydrophobicContact CG2-CD1 3.75Å; T1029-L1033 HydrophobicContact CG2-CG 4.24Å; T1029-L1033 WeakPolarHBondContact O-CB 3.34Å; T1029-L1033 VanDerWaalsContact O-CG 3.25Å; T1029-L1033 WeakPolarHBondContact O-CG 3.26Å; T1029-L1033 PolarHBondContact O-N 2.96Å; L1030-L1033 PolarHBondContact O-N 3.24Å; V1031-L1033 VanDerWaalsContact C-N 3.33Å; V1031-L1033 PolarHBondContact O-N 2.99Å; L1033-L1036 HydrophobicContact CD2-CD1 4.43Å; L1033-L1036 PolarHBondContact O-N 2.97Å; L1033-H1037 PolarHBondContact O-CD2 2.8Å; L1033-H1037 VanDerWaalsContact O-CD2 3.24Å; L1033-H1037 PolarHBondContact O-N 3.24Å; L1033-H1037 VanDerWaalsContact O-N 3.09Å
1034Y93.7Very high82.2Confident43 Ų4328 Ų2817%0.16913%0.134CC..Hα-helixtrans-60.5-45.7173.4175.9-92.4000112.3L628 E630 I631 F654 L1030 V1031 N1038L628-Y1034 HydrophobicContact CD2-CD1 4.05Å; L628-Y1034 HydrophobicContact CD2-CD2 4.42Å; L628-Y1034 HydrophobicContact CD2-CG 3.86Å; E630-Y1034 HydrophobicContact CB-CE1 4.08Å; E630-Y1034 HydrophobicContact CB-CE2 3.77Å; E630-Y1034 VanDerWaalsContact CB-CZ 3.49Å; E630-Y1034 WeakPolarHBondContact CB-OH 3.25Å; I631-Y1034 HydrophobicContact CD1-CD2 4.29Å; I631-Y1034 HydrophobicContact CG1-CD2 3.69Å; I631-Y1034 HydrophobicContact CG1-CE2 4.34Å; I631-Y1034 HydrophobicContact CG1-CG 4.37Å; F654-Y1034 HydrophobicContact CD1-CD2 4.17Å; F654-Y1034 AromaticContact CD2-CD2 3.92Å; F654-Y1034 HydrophobicContact CD2-CD2 3.92Å; F654-Y1034 HydrophobicContact CE1-CD2 4.24Å; F654-Y1034 HydrophobicContact CE1-CE2 4.38Å; F654-Y1034 HydrophobicContact CE2-CD2 4Å; F654-Y1034 HydrophobicContact CE2-CE2 4.19Å; F654-Y1034 AromaticContact CG-CD2 4Å; F654-Y1034 HydrophobicContact CG-CD2 4Å; F654-Y1034 HydrophobicContact CZ-CD2 4.16Å; F654-Y1034 HydrophobicContact CZ-CE2 4.08Å; L1030-Y1034 PolarHBondContact O-N 2.97Å; V1031-Y1034 WeakPolarHBondContact O-CB 3.47Å; V1031-Y1034 PolarHBondContact O-N 2.94Å; V1031-Y1034 VanDerWaalsContact O-N 3.13Å; Y1034-N1038 VanDerWaalsContact CE2-ND2 3.29Å; Y1034-N1038 WeakPolarHBondContact CE2-ND2 3.39Å; Y1034-N1038 PolarHBondContact O-N 3.44Å; Y1034-N1038 PolarHBondContact O-ND2 3.02Å
1035E91.1Very high79.9Confident43 Ų4330.5 Ų30.520%0.20115%0.147CC..Hα-helixtrans-61.4-49177.1-61.9-68.317900111L1001 K1015 V1031 M1032 H1037 N1038 E1039L1001-E1035 HydrophobicContact CD2-CB 4.02Å; K1015-E1035 IonicContact NZ-OE1 2.65Å; K1015-E1035 PolarHBondContact NZ-OE1 3.48Å; V1031-E1035 HydrophobicContact CG1-CG 4.39Å; V1031-E1035 WeakPolarHBondContact O-CG 3.05Å; V1031-E1035 PolarHBondContact O-N 3.05Å; M1032-E1035 PolarHBondContact O-N 3.43Å; E1035-H1037 PolarHBondContact O-N 3.26Å; E1035-N1038 CarbonylContact O-C 3.53Å; E1035-N1038 PolarHBondContact O-N 2.93Å; E1035-E1039 WeakPolarHBondContact O-CB 3.44Å; E1035-E1039 PolarHBondContact O-N 3.1Å
1036L91.2Very high78.2Confident14 Ų1432.1 Ų32.17%0.07315%0.153CC..Hα-helixtrans-58.5-42.5-179.1-71.1163000113.5L659 L691 L1001 M1002 M1032 L1033 N1038L659-L1036 HydrophobicContact CD1-CD1 4.32Å; L659-L1036 HydrophobicContact CD2-CB 4.27Å; L691-L1036 HydrophobicContact CB-CD2 4.45Å; L691-L1036 HydrophobicContact CD1-CD1 3.74Å; L691-L1036 HydrophobicContact CD1-CD2 4.36Å; L691-L1036 HydrophobicContact CD2-CD1 4.28Å; L1001-L1036 HydrophobicContact CD2-CD2 4.33Å; L1001-L1036 HydrophobicContact CD2-CG 4.48Å; M1002-L1036 HydrophobicContact CE-CD1 4.25Å; M1002-L1036 HydrophobicContact CE-CD2 4.18Å; M1002-L1036 HydrophobicContact CE-CG 4.48Å; M1002-L1036 HydrophobicContact CG-CD2 3.7Å; M1032-L1036 HydrophobicContact CE-CD1 4.33Å; M1032-L1036 HydrophobicContact CG-CD1 3.96Å; M1032-L1036 WeakPolarHBondContact O-CD1 3.36Å; M1032-L1036 WeakPolarHBondContact O-CG 3.21Å; M1032-L1036 PolarHBondContact O-N 3.28Å; L1033-L1036 HydrophobicContact CD2-CD1 4.43Å; L1033-L1036 PolarHBondContact O-N 2.97Å; L1036-N1038 PolarHBondContact O-N 3.19Å
1037H86.5Confident76.6Confident47 Ų4735.1 Ų35.122%0.21817%0.173CC..Hα-helixtrans-67.6-21.3176.9-88.6-81.7000113.1F654 T655 L659 L1033 E1035F654-H1037 HydrophobicContact CD1-CB 3.62Å; F654-H1037 AromaticContact CD1-CG 3.97Å; F654-H1037 HydrophobicContact CE1-CB 4.3Å; T655-H1037 PolarHBondContact O-NE2 3.33Å; L659-H1037 WeakPolarHBondContact CD2-NE2 3.43Å; L1033-H1037 PolarHBondContact O-CD2 2.8Å; L1033-H1037 VanDerWaalsContact O-CD2 3.24Å; L1033-H1037 PolarHBondContact O-N 3.24Å; L1033-H1037 VanDerWaalsContact O-N 3.09Å; E1035-H1037 PolarHBondContact O-N 3.26Å
1038N80.6Confident75.9Confident36 Ų3634.9 Ų34.919%0.19317%0.172CC..Hα-helixtrans-105.1-18.6-179.6-70.5-71.5000114Y1034 E1035 L1036 N1040 R1041Y1034-N1038 VanDerWaalsContact CE2-ND2 3.29Å; Y1034-N1038 WeakPolarHBondContact CE2-ND2 3.39Å; Y1034-N1038 PolarHBondContact O-N 3.44Å; Y1034-N1038 PolarHBondContact O-ND2 3.02Å; E1035-N1038 CarbonylContact O-C 3.53Å; E1035-N1038 PolarHBondContact O-N 2.93Å; L1036-N1038 PolarHBondContact O-N 3.19Å; N1038-N1040 VanDerWaalsContact C-N 3.29Å; N1038-N1040 PolarHBondContact O-N 3.38Å; N1038-R1041 WeakPolarHBondContact O-CB 3.29Å; N1038-R1041 PolarHBondContact O-N 3.39Å; N1038-R1041 WeakPolarHBondContact OD1-CD 3.33Å
1039E73.7Confident75.3Confident32 Ų3238.6 Ų38.615%0.1519%0.192CC..Hα-helixtrans-56.4-40.5-176.2179.6173-15400113.5S999 E1000 L1001 E1035S999-E1039 VanDerWaalsContact C-OE1 3.3Å; S999-E1039 WeakPolarHBondContact CA-OE1 3.42Å; S999-E1039 WeakPolarHBondContact CA-OE2 3.38Å; S999-E1039 WeakPolarHBondContact CB-OE2 3.17Å; S999-E1039 PolarHBondContact OG-OE2 3.18Å; E1000-E1039 WeakPolarHBondContact CA-OE1 3.36Å; E1000-E1039 PolarHBondContact N-OE1 2.76Å; L1001-E1039 WeakPolarHBondContact CB-OE1 3.42Å; L1001-E1039 PolarHBondContact N-OE1 2.66Å; E1035-E1039 WeakPolarHBondContact O-CB 3.44Å; E1035-E1039 PolarHBondContact O-N 3.1Å
1040N53.8Low74.7Confident81 Ų8141.5 Ų41.543%0.43321%0.209SC..THydrogen-bonded Turntrans-91.6-0.5177.3-74.4-64.5000114.1N998 N1038 Q1042N998-N1040 PolarHBondContact O-ND2 3.05Å; N998-N1040 PolarHBondContact O-OD1 3.12Å; N1038-N1040 VanDerWaalsContact C-N 3.29Å; N1038-N1040 PolarHBondContact O-N 3.38Å; N1040-Q1042 PolarHBondContact O-N 2.79Å
1041R52.2Low74.2Confident90 Ų9044.5 Ų44.534%0.3423%0.23SC..  trans-73.973.4167.9-75.3178.9147.3-146-6.8109.6N1038 P1043 H1060N1038-R1041 WeakPolarHBondContact O-CB 3.29Å; N1038-R1041 PolarHBondContact O-N 3.39Å; N1038-R1041 WeakPolarHBondContact OD1-CD 3.33Å; R1041-P1043 VanDerWaalsContact O-CD 3.25Å; R1041-P1043 WeakPolarHBondContact O-CD 3.45Å; R1041-H1060 PolarHBondContact NH1-CE1 2.89Å; R1041-H1060 PolarHBondContact NH1-NE2 3.28Å
1042Q41.2Very low73.2Confident84 Ų8448.8 Ų48.839%0.39326%0.26SS..  trans-54.2118.8171.8-68-105.1-22.900109.4N1040 L1044N1040-Q1042 PolarHBondContact O-N 2.79Å; Q1042-L1044 HydrophobicContact CB-CB 4.45Å; Q1042-L1044 HydrophobicContact CB-CD1 4.29Å; Q1042-L1044 PolarHBondContact O-N 2.85Å
1043P48.4Very low72Confident50 Ų5050.7 Ų50.733%0.32528%0.276SS..THydrogen-bonded Turntrans-70.320179-20.234000114.6R1041 Y1046R1041-P1043 VanDerWaalsContact O-CD 3.25Å; R1041-P1043 WeakPolarHBondContact O-CD 3.45Å; P1043-Y1046 HydrophobicContact CB-CE2 4.22Å
1044L42Very low70.6Confident29 Ų2956.9 Ų56.915%0.15231%0.305CS..THydrogen-bonded Turntrans-89.3-34.2-160.6-91.768.5000113.6Q1042 W1116 A1135Q1042-L1044 HydrophobicContact CB-CB 4.45Å; Q1042-L1044 HydrophobicContact CB-CD1 4.29Å; Q1042-L1044 PolarHBondContact O-N 2.85Å; L1044-W1116 HydrophobicContact CB-CH2 4.44Å; L1044-W1116 HydrophobicContact CB-CZ2 4.44Å; L1044-W1116 HydrophobicContact CD1-CD2 4.29Å; L1044-W1116 HydrophobicContact CD1-CH2 4.46Å; L1044-W1116 HydrophobicContact CD1-CZ2 3.75Å; L1044-W1116 HydrophobicContact CD2-CD2 4.2Å; L1044-W1116 HydrophobicContact CD2-CE3 4.13Å; L1044-W1116 HydrophobicContact CD2-CH2 4.44Å; L1044-W1116 HydrophobicContact CD2-CZ2 4.43Å; L1044-W1116 HydrophobicContact CD2-CZ3 4.26Å; L1044-W1116 HydrophobicContact CG-CD2 4.12Å; L1044-W1116 HydrophobicContact CG-CE3 4.23Å; L1044-W1116 HydrophobicContact CG-CH2 3.73Å; L1044-W1116 HydrophobicContact CG-CZ2 3.52Å; L1044-W1116 HydrophobicContact CG-CZ3 4.06Å; L1044-A1135 HydrophobicContact CD2-CB 3.99Å
1045M49.8Very low69.3Low68 Ų6855.5 Ų55.534%0.33530%0.3SS..  trans-154.4109.5171.1-71.7-165.4131.300109.3Q1054 T1138M1045-Q1054 HydrophobicContact CE-CB 3.92Å; M1045-Q1054 HydrophobicContact CE-CG 4.42Å; M1045-Q1054 VanDerWaalsContact CE-OE1 3.26Å; M1045-Q1054 HydrophobicContact SD-CB 4.35Å; M1045-Q1054 VanDerWaalsContact SD-CD 3.52Å; M1045-Q1054 HydrophobicContact SD-CG 4.38Å; M1045-Q1054 PolarHBondContact SD-NE2 3.46Å; M1045-Q1054 VanDerWaalsContact SD-NE2 3.43Å; M1045-T1138 HydrophobicContact CE-CG2 3.55Å; M1045-T1138 HydrophobicContact CG-CG2 4.32Å; M1045-T1138 HydrophobicContact SD-CG2 3.51Å; M1045-T1138 VanDerWaalsContact SD-CG2 3.51Å; M1045-T1138 PolarHBondContact SD-OG1 2.93Å; M1045-T1138 VanDerWaalsContact SD-OG1 3.38Å
1046Y62Low67.6Low33 Ų3356.9 Ų56.913%0.12931%0.307CS..EExtended strand (participates in β ladder)trans-87.7160164.5-58.7-102.9000108.7P1043 Q1054 L1055 P1058 D1068 I1086P1043-Y1046 HydrophobicContact CB-CE2 4.22Å; Y1046-Q1054 CarbonylContact O-C 3.54Å; Y1046-Q1054 WeakPolarHBondContact O-CA 3.42Å; Y1046-L1055 PolarHBondContact N-O 3.19Å; Y1046-L1055 VanDerWaalsContact N-O 3.11Å; Y1046-L1055 PolarHBondContact O-N 2.73Å; Y1046-P1058 HydrophobicContact CD1-CG 3.95Å; Y1046-P1058 HydrophobicContact CD2-CB 4.43Å; Y1046-P1058 HydrophobicContact CD2-CG 3.48Å; Y1046-P1058 VanDerWaalsContact CD2-CG 3.48Å; Y1046-P1058 HydrophobicContact CE1-CG 4.29Å; Y1046-P1058 HydrophobicContact CE2-CG 3.86Å; Y1046-P1058 HydrophobicContact CG-CB 4.11Å; Y1046-P1058 HydrophobicContact CG-CG 3.53Å; Y1046-D1068 WeakPolarHBondContact CD1-OD1 3.49Å; Y1046-I1086 HydrophobicContact CE1-CD1 4.43Å; Y1046-I1086 HydrophobicContact CE2-CG2 4.45Å
1047T64.8Low66.4Low78 Ų7857.8 Ų57.848%0.47931%0.313SS..EExtended strand (participates in β ladder)trans-119.7128.4177-0.80000108.9N1049 A1053 Q1054T1047-N1049 PolarHBondContact O-N 2.98Å; T1047-N1049 PolarHBondContact O-OD1 2.76Å; T1047-A1053 WeakPolarHBondContact CA-O 3.32Å; T1047-Q1054 HydrophobicContact CG2-CG 4.27Å
1048C82.3Confident66Low1 Ų155.6 Ų55.61%0.00730%0.303CS..BIsolated β-bridgetrans-65.3120.6175.7-176.90000110.1V1050 C1051 S1052 A1053 L1055 D1068 C1070C1048-V1050 PolarHBondContact O-N 2.56Å; C1048-C1051 VanDerWaalsContact CB-SG 3.52Å; C1048-S1052 WeakPolarHBondContact O-CA 3.4Å; C1048-S1052 PolarHBondContact O-N 3.36Å; C1048-A1053 PolarHBondContact N-O 2.83Å; C1048-L1055 HydrophobicContact CB-CD1 4Å; C1048-L1055 HydrophobicContact CB-CD2 4.35Å; C1048-L1055 HydrophobicContact CB-CG 4.49Å; C1048-D1068 CarbonylContact C-O 3.48Å; C1048-D1068 VanDerWaalsContact CA-O 3.27Å; C1048-D1068 WeakPolarHBondContact CA-O 3.29Å; C1048-C1070 HydrophobicContact CB-CB 4.14Å; C1048-C1070 PolarHBondContact SG-N 3.02Å
1049N84.6Confident66.3Low79 Ų7956.8 Ų56.842%0.42231%0.305SS..THydrogen-bonded Turntrans-62.7-10.7-178.5-68.566.6000114.5T1047 E1066 Y1067 D1068T1047-N1049 PolarHBondContact O-N 2.98Å; T1047-N1049 PolarHBondContact O-OD1 2.76Å; N1049-E1066 PolarHBondContact ND2-O 3.14Å; N1049-E1066 PolarHBondContact OD1-O 3.24Å; N1049-E1066 VanDerWaalsContact OD1-O 3.08Å; N1049-Y1067 HydrophobicContact CB-CD2 3.71Å; N1049-Y1067 HydrophobicContact CB-CE2 3.71Å; N1049-Y1067 HydrophobicContact CB-CG 4.44Å; N1049-Y1067 WeakPolarHBondContact OD1-CA 3.43Å; N1049-D1068 PolarHBondContact N-O 3.24Å; N1049-D1068 PolarHBondContact OD1-N 2.66Å; N1049-D1068 PolarHBondContact OD1-O 3.44Å; N1049-D1068 VanDerWaalsContact OD1-O 3.09Å
1050V86.1Confident66.6Low60 Ų6056 Ų5636%0.36430%0.301SS..THydrogen-bonded Turntrans-107.5-60.2-174.8172.70000110.5C1048 L1069 C1073 E1077C1048-V1050 PolarHBondContact O-N 2.56Å; V1050-L1069 HydrophobicContact CB-CD2 4.15Å; V1050-L1069 HydrophobicContact CG2-CD2 3.55Å; V1050-C1073 HydrophobicContact CB-CB 4.39Å; V1050-E1077 HydrophobicContact CB-CG 4.46Å; V1050-E1077 HydrophobicContact CG1-CG 4.22Å; V1050-E1077 WeakPolarHBondContact CG1-OE1 3.27Å; V1050-E1077 HydrophobicContact CG2-CG 3.88Å; V1050-E1077 WeakPolarHBondContact CG2-OE2 3.4Å
1051C86.6Confident68Low64 Ų6452.1 Ų52.143%0.43228%0.28SS..THydrogen-bonded Turntrans-94.20.6-178.870.50000114.7C1048 A1053 C1073C1048-C1051 VanDerWaalsContact CB-SG 3.52Å; C1051-A1053 PolarHBondContact O-N 3.42Å; C1051-A1053 VanDerWaalsContact SG-CB 3.56Å; C1051-C1073 VanDerWaalsContact SG-SG 3.62Å
1052S75.8Confident68.7Low92 Ų9252.7 Ų52.764%0.64329%0.285SS*.  trans55.112.3-176.2-60.60000115.8C1048C1048-S1052 WeakPolarHBondContact O-CA 3.4Å; C1048-S1052 PolarHBondContact O-N 3.36Å
1053A69.8Low70Confident41 Ų4150.5 Ų50.534%0.33928%0.275SS..  trans-67.8141.1175.800000111.2T1047 C1048 C1051 L1055T1047-A1053 WeakPolarHBondContact CA-O 3.32Å; C1048-A1053 PolarHBondContact N-O 2.83Å; C1051-A1053 PolarHBondContact O-N 3.42Å; C1051-A1053 VanDerWaalsContact SG-CB 3.56Å; A1053-L1055 HydrophobicContact CB-CD2 4.24Å; A1053-L1055 WeakPolarHBondContact O-CD2 3.34Å; A1053-L1055 WeakPolarHBondContact O-CG 3.24Å
1054Q66.8Low71.2Confident129 Ų12949.7 Ų49.760%0.60327%0.27SS*.EExtended strand (participates in β ladder)trans-80137.7173.6-65.5-176.8-46.600110.9M1045 Y1046 T1047M1045-Q1054 HydrophobicContact CE-CB 3.92Å; M1045-Q1054 HydrophobicContact CE-CG 4.42Å; M1045-Q1054 VanDerWaalsContact CE-OE1 3.26Å; M1045-Q1054 HydrophobicContact SD-CB 4.35Å; M1045-Q1054 VanDerWaalsContact SD-CD 3.52Å; M1045-Q1054 HydrophobicContact SD-CG 4.38Å; M1045-Q1054 PolarHBondContact SD-NE2 3.46Å; M1045-Q1054 VanDerWaalsContact SD-NE2 3.43Å; Y1046-Q1054 CarbonylContact O-C 3.54Å; Y1046-Q1054 WeakPolarHBondContact O-CA 3.42Å; T1047-Q1054 HydrophobicContact CG2-CG 4.27Å
1055L65.6Low72.1Confident14 Ų1454.3 Ų54.37%0.07329%0.293CS..EExtended strand (participates in β ladder)trans-126.7123.4-165.7-42.7175.4000111Y1046 C1048 A1053 P1058 C1070Y1046-L1055 PolarHBondContact N-O 3.19Å; Y1046-L1055 VanDerWaalsContact N-O 3.11Å; Y1046-L1055 PolarHBondContact O-N 2.73Å; C1048-L1055 HydrophobicContact CB-CD1 4Å; C1048-L1055 HydrophobicContact CB-CD2 4.35Å; C1048-L1055 HydrophobicContact CB-CG 4.49Å; A1053-L1055 HydrophobicContact CB-CD2 4.24Å; A1053-L1055 WeakPolarHBondContact O-CD2 3.34Å; A1053-L1055 WeakPolarHBondContact O-CG 3.24Å; L1055-P1058 HydrophobicContact CB-CB 4.27Å; L1055-P1058 HydrophobicContact CD1-CB 3.73Å; L1055-C1070 HydrophobicContact CD1-CB 4.21Å; L1055-C1070 HydrophobicContact CD2-CB 3.33Å; L1055-C1070 HydrophobicContact CG-CB 4.42Å
1056E56.6Low72.8Confident73 Ų7357.6 Ų57.634%0.34131%0.308SS..SBendtrans-81-22.1163.2-69.1-178.8140.400111.6Q1142E1056-Q1142 PolarHBondContact OE1-NE2 2.97Å
1057T65.3Low73.8Confident33 Ų3358.2 Ų58.220%0.20231%0.31CS..SBendtrans-137.178.8177.264.40000112.4I1086T1057-I1086 CarbonylContact C-O 3.06Å; T1057-I1086 WeakPolarHBondContact CA-O 3.35Å
1058P78.4Confident74.8Confident0 Ų055 Ų550%029%0.29CS..PPolyproline II helixtrans-71.6161.6174.236.3-42.3000112.1Y1046 L1055 D1068 K1085 I1086Y1046-P1058 HydrophobicContact CD1-CG 3.95Å; Y1046-P1058 HydrophobicContact CD2-CB 4.43Å; Y1046-P1058 HydrophobicContact CD2-CG 3.48Å; Y1046-P1058 VanDerWaalsContact CD2-CG 3.48Å; Y1046-P1058 HydrophobicContact CE1-CG 4.29Å; Y1046-P1058 HydrophobicContact CE2-CG 3.86Å; Y1046-P1058 HydrophobicContact CG-CB 4.11Å; Y1046-P1058 HydrophobicContact CG-CG 3.53Å; L1055-P1058 HydrophobicContact CB-CB 4.27Å; L1055-P1058 HydrophobicContact CD1-CB 3.73Å; P1058-D1068 HydrophobicContact CB-CB 4.11Å; P1058-D1068 WeakPolarHBondContact CB-OD1 3.36Å; P1058-K1085 CarbonylContact O-C 3.52Å; P1058-K1085 VanDerWaalsContact O-CA 3.31Å; P1058-K1085 WeakPolarHBondContact O-CA 3.49Å; P1058-I1086 WeakPolarHBondContact CD-O 3.26Å; P1058-I1086 HydrophobicContact CG-CB 4.1Å; P1058-I1086 PolarHBondContact O-N 3.49Å
1059W85.5Confident75Confident62 Ų6255 Ų5524%0.23529%0.29CS..EExtended strand (participates in β ladder)trans-86.9119.4145.1-68.288.8000107.7D1068 L1069 Y1074 M1083 K1085W1059-D1068 CarbonylContact O-C 3.57Å; W1059-D1068 WeakPolarHBondContact O-CA 3.41Å; W1059-L1069 PolarHBondContact N-O 3.08Å; W1059-L1069 PolarHBondContact O-N 2.65Å; W1059-Y1074 HydrophobicContact CB-CD2 3.84Å; W1059-Y1074 HydrophobicContact CB-CG 3.98Å; W1059-Y1074 AromaticContact CD1-CD1 3.76Å; W1059-Y1074 AromaticContact CD1-CG 3.52Å; W1059-Y1074 AromaticContact CD2-CD1 3.59Å; W1059-Y1074 HydrophobicContact CD2-CD1 3.59Å; W1059-Y1074 AromaticContact CD2-CD2 3.85Å; W1059-Y1074 HydrophobicContact CD2-CD2 3.85Å; W1059-Y1074 AromaticContact CD2-CE1 3.73Å; W1059-Y1074 HydrophobicContact CD2-CE1 3.73Å; W1059-Y1074 HydrophobicContact CD2-CE2 4.01Å; W1059-Y1074 AromaticContact CD2-CG 3.64Å; W1059-Y1074 HydrophobicContact CD2-CG 3.64Å; W1059-Y1074 AromaticContact CD2-CZ 3.94Å; W1059-Y1074 AromaticContact CE2-CD1 3.34Å; W1059-Y1074 AromaticContact CE2-CE1 3.56Å; W1059-Y1074 AromaticContact CE2-CG 3.84Å; W1059-Y1074 HydrophobicContact CE3-CD1 4.2Å; W1059-Y1074 HydrophobicContact CE3-CD2 4.15Å; W1059-Y1074 AromaticContact CE3-CE1 3.87Å; W1059-Y1074 HydrophobicContact CE3-CE1 3.87Å; W1059-Y1074 AromaticContact CE3-CE2 3.84Å; W1059-Y1074 HydrophobicContact CE3-CE2 3.84Å; W1059-Y1074 HydrophobicContact CE3-CG 4.31Å; W1059-Y1074 AromaticContact CE3-CZ 3.68Å; W1059-Y1074 AromaticContact CG-CD1 3.85Å; W1059-Y1074 HydrophobicContact CG-CD1 3.85Å; W1059-Y1074 AromaticContact CG-CD2 3.72Å; W1059-Y1074 HydrophobicContact CG-CD2 3.72Å; W1059-Y1074 HydrophobicContact CG-CE1 4.43Å; W1059-Y1074 HydrophobicContact CG-CE2 4.33Å; W1059-Y1074 AromaticContact CG-CG 3.44Å; W1059-Y1074 HydrophobicContact CG-CG 3.44Å; W1059-Y1074 VanDerWaalsContact CG-CG 3.44Å; W1059-Y1074 HydrophobicContact CH2-CD1 4.37Å; W1059-Y1074 AromaticContact CH2-CE1 3.72Å; W1059-Y1074 HydrophobicContact CH2-CE1 3.72Å; W1059-Y1074 AromaticContact CZ2-CD1 3.79Å; W1059-Y1074 HydrophobicContact CZ2-CD1 3.79Å; W1059-Y1074 AromaticContact CZ2-CE1 3.57Å; W1059-Y1074 HydrophobicContact CZ2-CE1 3.57Å; W1059-Y1074 AromaticContact CZ3-CE1 3.86Å; W1059-Y1074 HydrophobicContact CZ3-CE1 3.86Å; W1059-Y1074 HydrophobicContact CZ3-CE2 4.35Å; W1059-Y1074 AromaticContact CZ3-CZ 3.75Å; W1059-Y1074 AromaticContact NE1-CD1 3.43Å; W1059-Y1074 AromaticContact NE1-CG 3.73Å; W1059-M1083 HydrophobicContact CB-CB 4.08Å; W1059-M1083 HydrophobicContact CB-CE 4.16Å; W1059-M1083 HydrophobicContact CB-SD 4.4Å; W1059-M1083 HydrophobicContact CE3-CB 4.31Å; W1059-M1083 WeakPolarHBondContact O-CE 3.43Å; W1059-K1085 HydrophobicContact CD2-CB 4.15Å; W1059-K1085 HydrophobicContact CE3-CB 4.15Å; W1059-K1085 HydrophobicContact CH2-CB 4.32Å; W1059-K1085 HydrophobicContact CZ2-CB 4.31Å; W1059-K1085 HydrophobicContact CZ3-CB 4.24Å
1060H81.7Confident75Confident14 Ų1451.9 Ų51.97%0.06528%0.275CS..EExtended strand (participates in β ladder)trans-102.8129.1179.3-171.669.4000110.8R1041 K1062 D1068 M1083 V1084 I1086R1041-H1060 PolarHBondContact NH1-CE1 2.89Å; R1041-H1060 PolarHBondContact NH1-NE2 3.28Å; H1060-K1062 PolarHBondContact O-N 2.81Å; H1060-D1068 WeakPolarHBondContact CA-OD1 3.48Å; H1060-D1068 VanDerWaalsContact CB-OD1 3.31Å; H1060-D1068 WeakPolarHBondContact CB-OD1 3.47Å; H1060-D1068 IonicContact CE1-OD1 3.69Å; H1060-D1068 IonicContact CE1-OD2 2.97Å; H1060-D1068 PolarHBondContact CE1-OD2 2.77Å; H1060-D1068 IonicContact CG-OD1 3.53Å; H1060-D1068 IonicContact ND1-OD1 3.24Å; H1060-D1068 PolarHBondContact ND1-OD1 2.82Å; H1060-D1068 IonicContact ND1-OD2 3.09Å; H1060-D1068 PolarHBondContact ND1-OD2 3.25Å; H1060-M1083 CarbonylContact O-C 3.56Å; H1060-M1083 VanDerWaalsContact O-CA 3.27Å; H1060-M1083 WeakPolarHBondContact O-CA 3.5Å; H1060-V1084 PolarHBondContact N-O 2.92Å; H1060-V1084 PolarHBondContact O-N 3.24Å; H1060-I1086 HydrophobicContact CB-CD1 3.48Å; H1060-I1086 VanDerWaalsContact CB-CD1 3.48Å; H1060-I1086 HydrophobicContact CB-CG1 3.93Å
1061C81.6Confident75Confident0 Ų051.5 Ų51.50%027%0.273CS..EExtended strand (participates in β ladder)trans-82.3114.8173.9-1790000111.2Q1063 C1064 Y1067 H1079 H1081 M1083C1061-Q1063 PolarHBondContact O-N 2.89Å; C1061-Q1063 PolarHBondContact SG-N 2.98Å; C1061-C1064 HydrophobicContact CB-CB 4.02Å; C1061-C1064 PolarHBondContact SG-N 2.95Å; C1061-Y1067 HydrophobicContact CB-CD1 4.27Å; C1061-Y1067 WeakPolarHBondContact CB-O 3.43Å; C1061-Y1067 PolarHBondContact N-O 2.87Å; C1061-H1079 PolarHBondContact SG-NE2 2.92Å; C1061-H1081 WeakPolarHBondContact SG-CB 3Å; C1061-M1083 HydrophobicContact CB-CE 3.83Å; C1061-M1083 HydrophobicContact CB-CG 3.99Å; C1061-M1083 HydrophobicContact CB-SD 4.5Å
1062K67.4Low75Confident103 Ų10358 Ų5845%0.44829%0.289SS..THydrogen-bonded Turntrans-64.2-24.3174.1-71.7-173.8173.3-177.60113P633 H1060 V1084P633-K1062 HydrophobicContact CB-CD 4.16Å; P633-K1062 HydrophobicContact CG-CB 4.32Å; P633-K1062 HydrophobicContact CG-CD 4Å; H1060-K1062 PolarHBondContact O-N 2.81Å; K1062-V1084 HydrophobicContact CD-CG2 4.36Å
1063Q69.9Low75.6Confident38 Ų3854.3 Ų54.318%0.17826%0.262CS..THydrogen-bonded Turntrans-101.62.7-174.9-63.4173.6-7.700114.4D634 R653 C1061 H1081D634-Q1063 PolarHBondContact OD1-NE2 3.32Å; D634-Q1063 PolarHBondContact OD2-NE2 3.4Å; R653-Q1063 PolarHBondContact NH1-O 2.96Å; R653-Q1063 PolarHBondContact NH2-O 3.38Å; C1061-Q1063 PolarHBondContact O-N 2.89Å; C1061-Q1063 PolarHBondContact SG-N 2.98Å; Q1063-H1081 HydrophobicContact CB-CB 3.9Å; Q1063-H1081 HydrophobicContact CG-CB 4.48Å; Q1063-H1081 PolarHBondContact OE1-CD2 3.22Å; Q1063-H1081 VanDerWaalsContact OE1-CG 3.25Å
1064C71.8Confident76.6Confident32 Ų3256.1 Ų56.122%0.21626%0.261CS..SBendtrans-122.3147173.7-82.80000111.2C1061 E1066 Y1067 H1081C1061-C1064 HydrophobicContact CB-CB 4.02Å; C1061-C1064 PolarHBondContact SG-N 2.95Å; C1064-E1066 PolarHBondContact O-N 3Å; C1064-Y1067 VanDerWaalsContact CB-CB 3.47Å; C1064-Y1067 HydrophobicContact CB-CG 4.24Å; C1064-H1081 VanDerWaalsContact SG-CE1 3.54Å; C1064-H1081 PolarHBondContact SG-ND1 2.83Å
1065I60.9Low77.6Confident126 Ų12656.9 Ų56.965%0.64627%0.265SS*.THydrogen-bonded Turntrans-75123.7175.2-61.7177000107.4Y1067I1065-Y1067 PolarHBondContact O-N 3.37Å; I1065-Y1067 VanDerWaalsContact O-N 3.09Å
1066E66Low78.8Confident137 Ų13760.9 Ų60.964%0.6429%0.29SS*.THydrogen-bonded Turntrans50.537173-61.1178170.100114.2N1049 C1064N1049-E1066 PolarHBondContact ND2-O 3.14Å; N1049-E1066 PolarHBondContact OD1-O 3.24Å; N1049-E1066 VanDerWaalsContact OD1-O 3.08Å; C1064-E1066 PolarHBondContact O-N 3Å
1067Y81.4Confident80.1Confident46 Ų4661.4 Ų61.418%0.1829%0.292CS..  trans-108.3101.7-179.1-163.6-88.1000111.8N1049 C1061 C1064 I1065 L1069 H1079 M1083N1049-Y1067 HydrophobicContact CB-CD2 3.71Å; N1049-Y1067 HydrophobicContact CB-CE2 3.71Å; N1049-Y1067 HydrophobicContact CB-CG 4.44Å; N1049-Y1067 WeakPolarHBondContact OD1-CA 3.43Å; C1061-Y1067 HydrophobicContact CB-CD1 4.27Å; C1061-Y1067 WeakPolarHBondContact CB-O 3.43Å; C1061-Y1067 PolarHBondContact N-O 2.87Å; C1064-Y1067 VanDerWaalsContact CB-CB 3.47Å; C1064-Y1067 HydrophobicContact CB-CG 4.24Å; I1065-Y1067 PolarHBondContact O-N 3.37Å; I1065-Y1067 VanDerWaalsContact O-N 3.09Å; Y1067-L1069 HydrophobicContact CD1-CG 4.43Å; Y1067-L1069 HydrophobicContact CE1-CD1 3.9Å; Y1067-L1069 HydrophobicContact CE1-CD2 3.83Å; Y1067-L1069 HydrophobicContact CE1-CG 3.72Å; Y1067-H1079 AromaticContact CD1-CE1 3.45Å; Y1067-H1079 VanDerWaalsContact CD1-CE1 3.45Å; Y1067-H1079 WeakPolarHBondContact CD1-CE1 3.31Å; Y1067-H1079 AromaticContact CD1-ND1 3.6Å; Y1067-H1079 AromaticContact CD1-NE2 3.88Å; Y1067-H1079 HydrophobicContact CE1-CB 4.23Å; Y1067-H1079 AromaticContact CE1-CE1 3.43Å; Y1067-H1079 VanDerWaalsContact CE1-CE1 3.43Å; Y1067-H1079 WeakPolarHBondContact CE1-CE1 3.38Å; Y1067-H1079 AromaticContact CE1-CG 3.61Å; Y1067-H1079 AromaticContact CE1-ND1 3.06Å; Y1067-H1079 WeakPolarHBondContact CE1-ND1 3.39Å; Y1067-H1079 AromaticContact CZ-CE1 3.99Å; Y1067-H1079 AromaticContact CZ-ND1 3.55Å; Y1067-M1083 HydrophobicContact CD1-CE 4Å; Y1067-M1083 HydrophobicContact CE1-CE 4.31Å
1068D86Confident80.9Confident11 Ų1166.6 Ų66.66%0.05932%0.319CS..EExtended strand (participates in β ladder)trans-118.1140.1-179.6-76.2-81.1000110.3Y1046 C1048 N1049 P1058 W1059 H1060Y1046-D1068 WeakPolarHBondContact CD1-OD1 3.49Å; C1048-D1068 CarbonylContact C-O 3.48Å; C1048-D1068 VanDerWaalsContact CA-O 3.27Å; C1048-D1068 WeakPolarHBondContact CA-O 3.29Å; N1049-D1068 PolarHBondContact N-O 3.24Å; N1049-D1068 PolarHBondContact OD1-N 2.66Å; N1049-D1068 PolarHBondContact OD1-O 3.44Å; N1049-D1068 VanDerWaalsContact OD1-O 3.09Å; P1058-D1068 HydrophobicContact CB-CB 4.11Å; P1058-D1068 WeakPolarHBondContact CB-OD1 3.36Å; W1059-D1068 CarbonylContact O-C 3.57Å; W1059-D1068 WeakPolarHBondContact O-CA 3.41Å; H1060-D1068 WeakPolarHBondContact CA-OD1 3.48Å; H1060-D1068 VanDerWaalsContact CB-OD1 3.31Å; H1060-D1068 WeakPolarHBondContact CB-OD1 3.47Å; H1060-D1068 IonicContact CE1-OD1 3.69Å; H1060-D1068 IonicContact CE1-OD2 2.97Å; H1060-D1068 PolarHBondContact CE1-OD2 2.77Å; H1060-D1068 IonicContact CG-OD1 3.53Å; H1060-D1068 IonicContact ND1-OD1 3.24Å; H1060-D1068 PolarHBondContact ND1-OD1 2.82Å; H1060-D1068 IonicContact ND1-OD2 3.09Å; H1060-D1068 PolarHBondContact ND1-OD2 3.25Å
1069L86.6Confident81.2Confident0 Ų068 Ų680%033%0.326CS..EExtended strand (participates in β ladder)trans-121.5140.8175.8-65.9-176.9000111.3V1050 W1059 Y1067 C1073 E1077 H1079 M1083V1050-L1069 HydrophobicContact CB-CD2 4.15Å; V1050-L1069 HydrophobicContact CG2-CD2 3.55Å; W1059-L1069 PolarHBondContact N-O 3.08Å; W1059-L1069 PolarHBondContact O-N 2.65Å; Y1067-L1069 HydrophobicContact CD1-CG 4.43Å; Y1067-L1069 HydrophobicContact CE1-CD1 3.9Å; Y1067-L1069 HydrophobicContact CE1-CD2 3.83Å; Y1067-L1069 HydrophobicContact CE1-CG 3.72Å; L1069-C1073 HydrophobicContact CB-CB 4.23Å; L1069-C1073 HydrophobicContact CD2-CB 3.98Å; L1069-E1077 HydrophobicContact CD1-CB 3.88Å; L1069-E1077 HydrophobicContact CD1-CG 4.13Å; L1069-E1077 HydrophobicContact CD2-CG 4.33Å; L1069-H1079 HydrophobicContact CD1-CB 4.22Å; L1069-M1083 HydrophobicContact CB-CE 4.07Å; L1069-M1083 HydrophobicContact CB-SD 4.49Å; L1069-M1083 HydrophobicContact CD1-CE 4.15Å; L1069-M1083 HydrophobicContact CD1-SD 3.77Å; L1069-M1083 HydrophobicContact CG-CE 3.84Å; L1069-M1083 HydrophobicContact CG-SD 4.15Å
1070C85.5Confident80.9Confident15 Ų1570.4 Ų70.410%0.10135%0.349CS..  trans-67.7157.7165.984.10000109.6C1048 L1055 R1072 C1073 Y1074C1048-C1070 HydrophobicContact CB-CB 4.14Å; C1048-C1070 PolarHBondContact SG-N 3.02Å; L1055-C1070 HydrophobicContact CD1-CB 4.21Å; L1055-C1070 HydrophobicContact CD2-CB 3.33Å; L1055-C1070 HydrophobicContact CG-CB 4.42Å; C1070-R1072 PolarHBondContact O-N 3.13Å; C1070-R1072 VanDerWaalsContact O-N 3.13Å; C1070-C1073 PolarHBondContact O-N 3.3Å; C1070-C1073 PolarHBondContact SG-N 2.97Å; C1070-C1073 PolarHBondContact SG-SG 3.22Å; C1070-Y1074 PolarHBondContact O-N 3.49Å
1071P86Confident80.9Confident52 Ų5272.9 Ų72.934%0.33836%0.36SS..Hα-helixtrans-49-42.5179.5-31.236.8000114.3Y1074 E1075P1071-Y1074 PolarHBondContact O-N 3.46Å; P1071-E1075 WeakPolarHBondContact O-CG 3.23Å; P1071-E1075 PolarHBondContact O-N 3.14Å
1072R86.3Confident80.6Confident201 Ų20176.8 Ų76.876%0.75839%0.386SS*.Hα-helixtrans-65.1-43.8175.4-68.4-178.2177.5172.6-1.7113.5C1070 Y1074 E1075 T1076C1070-R1072 PolarHBondContact O-N 3.13Å; C1070-R1072 VanDerWaalsContact O-N 3.13Å; R1072-Y1074 VanDerWaalsContact C-N 3.33Å; R1072-E1075 PolarHBondContact O-N 2.9Å; R1072-T1076 WeakPolarHBondContact O-CG2 3.05Å; R1072-T1076 PolarHBondContact O-N 2.95Å; R1072-T1076 VanDerWaalsContact O-N 3.16Å; R1072-T1076 PolarHBondContact O-OG1 2.62Å
1073C89.6Confident81.4Confident13 Ų1372.6 Ų72.69%0.08837%0.368CS..Hα-helixtrans-71.7-31.5-179.6-65.90000111.4V1050 C1051 L1069 C1070 E1075 T1076 E1077V1050-C1073 HydrophobicContact CB-CB 4.39Å; C1051-C1073 VanDerWaalsContact SG-SG 3.62Å; L1069-C1073 HydrophobicContact CB-CB 4.23Å; L1069-C1073 HydrophobicContact CD2-CB 3.98Å; C1070-C1073 PolarHBondContact O-N 3.3Å; C1070-C1073 PolarHBondContact SG-N 2.97Å; C1070-C1073 PolarHBondContact SG-SG 3.22Å; C1073-E1075 VanDerWaalsContact C-N 3.3Å; C1073-E1075 PolarHBondContact O-N 3.28Å; C1073-T1076 WeakPolarHBondContact CA-OG1 3.41Å; C1073-T1076 PolarHBondContact O-N 3.47Å; C1073-T1076 PolarHBondContact O-OG1 3.43Å; C1073-E1077 HydrophobicContact CB-CG 4.19Å; C1073-E1077 WeakPolarHBondContact O-CB 3.47Å; C1073-E1077 WeakPolarHBondContact O-CG 3.32Å; C1073-E1077 PolarHBondContact O-N 2.95Å
1074Y90.6Very high81.8Confident80 Ų8074 Ų7431%0.31438%0.379SS..Hα-helixtrans-60.6-41.3170.8174.4-105.3000111.7W1059 C1070 P1071 R1072 T1076 M1083W1059-Y1074 HydrophobicContact CB-CD2 3.84Å; W1059-Y1074 HydrophobicContact CB-CG 3.98Å; W1059-Y1074 AromaticContact CD1-CD1 3.76Å; W1059-Y1074 AromaticContact CD1-CG 3.52Å; W1059-Y1074 AromaticContact CD2-CD1 3.59Å; W1059-Y1074 HydrophobicContact CD2-CD1 3.59Å; W1059-Y1074 AromaticContact CD2-CD2 3.85Å; W1059-Y1074 HydrophobicContact CD2-CD2 3.85Å; W1059-Y1074 AromaticContact CD2-CE1 3.73Å; W1059-Y1074 HydrophobicContact CD2-CE1 3.73Å; W1059-Y1074 HydrophobicContact CD2-CE2 4.01Å; W1059-Y1074 AromaticContact CD2-CG 3.64Å; W1059-Y1074 HydrophobicContact CD2-CG 3.64Å; W1059-Y1074 AromaticContact CD2-CZ 3.94Å; W1059-Y1074 AromaticContact CE2-CD1 3.34Å; W1059-Y1074 AromaticContact CE2-CE1 3.56Å; W1059-Y1074 AromaticContact CE2-CG 3.84Å; W1059-Y1074 HydrophobicContact CE3-CD1 4.2Å; W1059-Y1074 HydrophobicContact CE3-CD2 4.15Å; W1059-Y1074 AromaticContact CE3-CE1 3.87Å; W1059-Y1074 HydrophobicContact CE3-CE1 3.87Å; W1059-Y1074 AromaticContact CE3-CE2 3.84Å; W1059-Y1074 HydrophobicContact CE3-CE2 3.84Å; W1059-Y1074 HydrophobicContact CE3-CG 4.31Å; W1059-Y1074 AromaticContact CE3-CZ 3.68Å; W1059-Y1074 AromaticContact CG-CD1 3.85Å; W1059-Y1074 HydrophobicContact CG-CD1 3.85Å; W1059-Y1074 AromaticContact CG-CD2 3.72Å; W1059-Y1074 HydrophobicContact CG-CD2 3.72Å; W1059-Y1074 HydrophobicContact CG-CE1 4.43Å; W1059-Y1074 HydrophobicContact CG-CE2 4.33Å; W1059-Y1074 AromaticContact CG-CG 3.44Å; W1059-Y1074 HydrophobicContact CG-CG 3.44Å; W1059-Y1074 VanDerWaalsContact CG-CG 3.44Å; W1059-Y1074 HydrophobicContact CH2-CD1 4.37Å; W1059-Y1074 AromaticContact CH2-CE1 3.72Å; W1059-Y1074 HydrophobicContact CH2-CE1 3.72Å; W1059-Y1074 AromaticContact CZ2-CD1 3.79Å; W1059-Y1074 HydrophobicContact CZ2-CD1 3.79Å; W1059-Y1074 AromaticContact CZ2-CE1 3.57Å; W1059-Y1074 HydrophobicContact CZ2-CE1 3.57Å; W1059-Y1074 AromaticContact CZ3-CE1 3.86Å; W1059-Y1074 HydrophobicContact CZ3-CE1 3.86Å; W1059-Y1074 HydrophobicContact CZ3-CE2 4.35Å; W1059-Y1074 AromaticContact CZ3-CZ 3.75Å; W1059-Y1074 AromaticContact NE1-CD1 3.43Å; W1059-Y1074 AromaticContact NE1-CG 3.73Å; C1070-Y1074 PolarHBondContact O-N 3.49Å; P1071-Y1074 PolarHBondContact O-N 3.46Å; R1072-Y1074 VanDerWaalsContact C-N 3.33Å; Y1074-T1076 VanDerWaalsContact C-N 3.33Å; Y1074-T1076 PolarHBondContact O-N 2.84Å; Y1074-M1083 HydrophobicContact CD2-CB 4.21Å; Y1074-M1083 HydrophobicContact CD2-CG 4.4Å; Y1074-M1083 HydrophobicContact CD2-SD 3.79Å; Y1074-M1083 HydrophobicContact CE2-CB 3.91Å; Y1074-M1083 HydrophobicContact CE2-CG 4.26Å; Y1074-M1083 HydrophobicContact CE2-SD 4.21Å
1075E87.7Confident82.1Confident144 Ų14477.2 Ų77.267%0.67339%0.389SS*.Hα-helixtrans-68.4-24.5175.7-69.6163.1-178.200113.8P1071 R1072 C1073P1071-E1075 WeakPolarHBondContact O-CG 3.23Å; P1071-E1075 PolarHBondContact O-N 3.14Å; R1072-E1075 PolarHBondContact O-N 2.9Å; C1073-E1075 VanDerWaalsContact C-N 3.3Å; C1073-E1075 PolarHBondContact O-N 3.28Å
1076T89.9Confident82.2Confident99 Ų9973.9 Ų73.961%0.60737%0.372SS*.Hα-helixtrans-103.6-32.3-176.660.10000115.5R1072 C1073 Y1074R1072-T1076 WeakPolarHBondContact O-CG2 3.05Å; R1072-T1076 PolarHBondContact O-N 2.95Å; R1072-T1076 VanDerWaalsContact O-N 3.16Å; R1072-T1076 PolarHBondContact O-OG1 2.62Å; C1073-T1076 WeakPolarHBondContact CA-OG1 3.41Å; C1073-T1076 PolarHBondContact O-N 3.47Å; C1073-T1076 PolarHBondContact O-OG1 3.43Å; Y1074-T1076 VanDerWaalsContact C-N 3.33Å; Y1074-T1076 PolarHBondContact O-N 2.84Å
1077E83.7Confident81.6Confident84 Ų8469.5 Ų69.539%0.39336%0.363SS..Hα-helixtrans-82.3-17.2-168.7-67.8-76.5120.100113.9V1050 L1069 C1073 H1079V1050-E1077 HydrophobicContact CB-CG 4.46Å; V1050-E1077 HydrophobicContact CG1-CG 4.22Å; V1050-E1077 WeakPolarHBondContact CG1-OE1 3.27Å; V1050-E1077 HydrophobicContact CG2-CG 3.88Å; V1050-E1077 WeakPolarHBondContact CG2-OE2 3.4Å; L1069-E1077 HydrophobicContact CD1-CB 3.88Å; L1069-E1077 HydrophobicContact CD1-CG 4.13Å; L1069-E1077 HydrophobicContact CD2-CG 4.33Å; C1073-E1077 HydrophobicContact CB-CG 4.19Å; C1073-E1077 WeakPolarHBondContact O-CB 3.47Å; C1073-E1077 WeakPolarHBondContact O-CG 3.32Å; C1073-E1077 PolarHBondContact O-N 2.95Å; E1077-H1079 PolarHBondContact O-N 2.85Å; E1077-H1079 VanDerWaalsContact O-N 3.17Å
1078N82.4Confident79.8Confident141 Ų14170.7 Ų70.775%0.75437%0.372SS*.  trans45.246.3-175.4-83.5-36.5000113
1079H85.2Confident77.5Confident31 Ų3172.6 Ų72.614%0.14439%0.394CS..  trans-53.8126.5-177.7-173.575.7000110.7C1061 Y1067 L1069 E1077 H1081 M1083C1061-H1079 PolarHBondContact SG-NE2 2.92Å; Y1067-H1079 AromaticContact CD1-CE1 3.45Å; Y1067-H1079 VanDerWaalsContact CD1-CE1 3.45Å; Y1067-H1079 WeakPolarHBondContact CD1-CE1 3.31Å; Y1067-H1079 AromaticContact CD1-ND1 3.6Å; Y1067-H1079 AromaticContact CD1-NE2 3.88Å; Y1067-H1079 HydrophobicContact CE1-CB 4.23Å; Y1067-H1079 AromaticContact CE1-CE1 3.43Å; Y1067-H1079 VanDerWaalsContact CE1-CE1 3.43Å; Y1067-H1079 WeakPolarHBondContact CE1-CE1 3.38Å; Y1067-H1079 AromaticContact CE1-CG 3.61Å; Y1067-H1079 AromaticContact CE1-ND1 3.06Å; Y1067-H1079 WeakPolarHBondContact CE1-ND1 3.39Å; Y1067-H1079 AromaticContact CZ-CE1 3.99Å; Y1067-H1079 AromaticContact CZ-ND1 3.55Å; L1069-H1079 HydrophobicContact CD1-CB 4.22Å; E1077-H1079 PolarHBondContact O-N 2.85Å; E1077-H1079 VanDerWaalsContact O-N 3.17Å; H1079-H1081 AromaticContact CE1-ND1 3.84Å; H1079-H1081 AromaticContact NE2-CG 3.8Å; H1079-H1081 AromaticContact NE2-ND1 3.19Å; H1079-H1081 PolarHBondContact NE2-ND1 2.93Å; H1079-H1081 VanDerWaalsContact NE2-ND1 3.19Å; H1079-H1081 PolarHBondContact O-N 2.87Å; H1079-M1083 HydrophobicContact CB-SD 3.78Å
1080P79Confident75.2Confident111 Ų11176.9 Ų76.972%0.72142%0.417SS*.SBendtrans-70.5-8.5-164.126.8-36.9000114.8
1081H81.5Confident72.8Confident66 Ų6680.8 Ų80.831%0.30644%0.437SS..SBendtrans-108.5149.1-176.9-56.2130.6000112C1061 Q1063 C1064 H1079 M1083C1061-H1081 WeakPolarHBondContact SG-CB 3Å; Q1063-H1081 HydrophobicContact CB-CB 3.9Å; Q1063-H1081 HydrophobicContact CG-CB 4.48Å; Q1063-H1081 PolarHBondContact OE1-CD2 3.22Å; Q1063-H1081 VanDerWaalsContact OE1-CG 3.25Å; C1064-H1081 VanDerWaalsContact SG-CE1 3.54Å; C1064-H1081 PolarHBondContact SG-ND1 2.83Å; H1079-H1081 AromaticContact CE1-ND1 3.84Å; H1079-H1081 AromaticContact NE2-CG 3.8Å; H1079-H1081 AromaticContact NE2-ND1 3.19Å; H1079-H1081 PolarHBondContact NE2-ND1 2.93Å; H1079-H1081 VanDerWaalsContact NE2-ND1 3.19Å; H1079-H1081 PolarHBondContact O-N 2.87Å; H1081-M1083 WeakPolarHBondContact O-CG 3.47Å; H1081-M1083 PolarHBondContact O-N 3.44Å
1082P76Confident70.2Confident83 Ų8384.2 Ų84.254%0.53945%0.452SS..  trans-58.5120.6175.6-23.634.4000112.7
1083M84.2Confident67.5Low14 Ų1479.3 Ų79.37%0.06945%0.448CS..EExtended strand (participates in β ladder)trans-105.7144.8174.2-52.4-17177.100110.7W1059 H1060 C1061 Y1067 L1069 Y1074 H1079 H1081W1059-M1083 HydrophobicContact CB-CB 4.08Å; W1059-M1083 HydrophobicContact CB-CE 4.16Å; W1059-M1083 HydrophobicContact CB-SD 4.4Å; W1059-M1083 HydrophobicContact CE3-CB 4.31Å; W1059-M1083 WeakPolarHBondContact O-CE 3.43Å; H1060-M1083 CarbonylContact O-C 3.56Å; H1060-M1083 VanDerWaalsContact O-CA 3.27Å; H1060-M1083 WeakPolarHBondContact O-CA 3.5Å; C1061-M1083 HydrophobicContact CB-CE 3.83Å; C1061-M1083 HydrophobicContact CB-CG 3.99Å; C1061-M1083 HydrophobicContact CB-SD 4.5Å; Y1067-M1083 HydrophobicContact CD1-CE 4Å; Y1067-M1083 HydrophobicContact CE1-CE 4.31Å; L1069-M1083 HydrophobicContact CB-CE 4.07Å; L1069-M1083 HydrophobicContact CB-SD 4.49Å; L1069-M1083 HydrophobicContact CD1-CE 4.15Å; L1069-M1083 HydrophobicContact CD1-SD 3.77Å; L1069-M1083 HydrophobicContact CG-CE 3.84Å; L1069-M1083 HydrophobicContact CG-SD 4.15Å; Y1074-M1083 HydrophobicContact CD2-CB 4.21Å; Y1074-M1083 HydrophobicContact CD2-CG 4.4Å; Y1074-M1083 HydrophobicContact CD2-SD 3.79Å; Y1074-M1083 HydrophobicContact CE2-CB 3.91Å; Y1074-M1083 HydrophobicContact CE2-CG 4.26Å; Y1074-M1083 HydrophobicContact CE2-SD 4.21Å; H1079-M1083 HydrophobicContact CB-SD 3.78Å; H1081-M1083 WeakPolarHBondContact O-CG 3.47Å; H1081-M1083 PolarHBondContact O-N 3.44Å
1084V78Confident64.5Low67 Ų6786.1 Ų86.141%0.40648%0.483SS..EExtended strand (participates in β ladder)trans-116.1129.2-179.9-179.40000109.2H1060 K1062 I1086H1060-V1084 PolarHBondContact N-O 2.92Å; H1060-V1084 PolarHBondContact O-N 3.24Å; K1062-V1084 HydrophobicContact CD-CG2 4.36Å; V1084-I1086 PolarHBondContact O-N 2.83Å; V1084-I1086 VanDerWaalsContact O-N 3.16Å
1085K78.7Confident61.4Low101 Ų10191.3 Ų91.344%0.43951%0.507SS..EExtended strand (participates in β ladder)trans-65.7113.1172-171.4-171.3175.3-165.80109P1058 W1059 D1091P1058-K1085 CarbonylContact O-C 3.52Å; P1058-K1085 VanDerWaalsContact O-CA 3.31Å; P1058-K1085 WeakPolarHBondContact O-CA 3.49Å; W1059-K1085 HydrophobicContact CD2-CB 4.15Å; W1059-K1085 HydrophobicContact CE3-CB 4.15Å; W1059-K1085 HydrophobicContact CH2-CB 4.32Å; W1059-K1085 HydrophobicContact CZ2-CB 4.31Å; W1059-K1085 HydrophobicContact CZ3-CB 4.24Å; K1085-D1091 IonicContact NZ-OD2 2.92Å; K1085-D1091 PolarHBondContact NZ-OD2 3.27Å
1086I63Low58.4Low56 Ų5688.5 Ų88.529%0.28752%0.517SS..  trans-93.5139.3170.1-54.1-177.2000107.4Y1046 T1057 P1058 H1060 V1084Y1046-I1086 HydrophobicContact CE1-CD1 4.43Å; Y1046-I1086 HydrophobicContact CE2-CG2 4.45Å; T1057-I1086 CarbonylContact C-O 3.06Å; T1057-I1086 WeakPolarHBondContact CA-O 3.35Å; P1058-I1086 WeakPolarHBondContact CD-O 3.26Å; P1058-I1086 HydrophobicContact CG-CB 4.1Å; P1058-I1086 PolarHBondContact O-N 3.49Å; H1060-I1086 HydrophobicContact CB-CD1 3.48Å; H1060-I1086 VanDerWaalsContact CB-CD1 3.48Å; H1060-I1086 HydrophobicContact CB-CG1 3.93Å; V1084-I1086 PolarHBondContact O-N 2.83Å; V1084-I1086 VanDerWaalsContact O-N 3.16Å
1087G52.6Low55.2Low44 Ų4492.9 Ų92.945%0.45453%0.531SS..  trans-172.8161.9179.700000113.2G1089G1087-G1089 VanDerWaalsContact C-N 3.27Å; G1087-G1089 PolarHBondContact O-N 2.69Å
1088I43.3Very low52.4Low71 Ų7195.5 Ų95.536%0.36454%0.543SS..  trans-87.215.9-170.6-28175.5000113.1L1090 W1116I1088-L1090 HydrophobicContact CB-CD1 4.35Å; I1088-L1090 PolarHBondContact O-N 2.66Å; I1088-L1090 VanDerWaalsContact O-N 3.08Å; I1088-W1116 HydrophobicContact CD1-CH2 4.02Å; I1088-W1116 HydrophobicContact CD1-CZ2 3.53Å
1089G38.4Very low49.7Very low51 Ų5194.5 Ų94.553%0.52654%0.544SS..SBendtrans61.815.3179.500000115.7G1087G1087-G1089 VanDerWaalsContact C-N 3.27Å; G1087-G1089 PolarHBondContact O-N 2.69Å
1090L38.5Very low46.8Very low90 Ų9097.7 Ų97.747%0.47157%0.57SS.*  trans-81.9-19.8-179.3-73.8168.3000113.1I1088 F1161I1088-L1090 HydrophobicContact CB-CD1 4.35Å; I1088-L1090 PolarHBondContact O-N 2.66Å; I1088-L1090 VanDerWaalsContact O-N 3.08Å; L1090-F1161 HydrophobicContact CD1-CD2 3.81Å; L1090-F1161 HydrophobicContact CD1-CE2 4.28Å
1091D33.4Very low44.2Very low98 Ų98100.8 Ų100.852%0.52458%0.58SS.*THydrogen-bonded Turntrans-74.9-28-178.9-62.7-17.1000112.6K1085 C1093K1085-D1091 IonicContact NZ-OD2 2.92Å; K1085-D1091 PolarHBondContact NZ-OD2 3.27Å; D1091-C1093 PolarHBondContact O-N 2.65Å
1092D31.9Very low41.5Very low124 Ų124100.9 Ų100.966%0.66358%0.583SS**THydrogen-bonded Turntrans-75.95.5-170.7-60.5-61000114.2N1094D1092-N1094 PolarHBondContact O-N 3.39Å
1093C30.8Very low39.3Very low98 Ų98101.7 Ų101.766%0.66259%0.591SS**THydrogen-bonded Turntrans-6937.4171.1-69.10000113.9D1091D1091-C1093 PolarHBondContact O-N 2.65Å
1094N26.8Very low36.7Very low156 Ų156105.8 Ų105.883%0.83462%0.617SS**THydrogen-bonded Turntrans-1550.3171.7-137.85.8000116.7D1092D1092-N1094 PolarHBondContact O-N 3.39Å
1095K24.1Very low34.6Very low189 Ų189107.7 Ų107.782%0.82262%0.623SS**SBendtrans-142119.7171-71.9-172.3179.9177.20110.5Q1097K1095-Q1097 PolarHBondContact O-N 2.78Å
1096G24.6Very low32.5Very low85 Ų85109.9 Ų109.988%0.87664%0.635SS**  trans-78.1115.6-179.200000112.7
1097Q23.1Very low31Very low190 Ų190113.6 Ų113.689%0.88865%0.652SS**  trans-121.4155.7154.8-78.3-175.4-56.400109.6K1095K1095-Q1097 PolarHBondContact O-N 2.78Å
1098E24.4Very low30.3Very low139 Ų139113.6 Ų113.665%0.6565%0.645SS**  trans-68.2142.2-173.3-57.3-67.612000111.6K108 S1100K108-E1098 IonicContact NZ-OE1 3.07Å; K108-E1098 PolarHBondContact NZ-OE1 2.95Å; E1098-S1100 PolarHBondContact O-N 2.87Å; E1098-S1100 VanDerWaalsContact O-N 3.11Å
1099P25.7Very low30.1Very low120 Ų120112 Ų11278%0.77965%0.645SS**  trans-73.299.9164.130.9-31.1000109.1
1100S23.9Very low30.8Very low99 Ų99117.8 Ų117.869%0.69265%0.652SS**  trans-59154.1164.647.90000110.9E1098 D1102E1098-S1100 PolarHBondContact O-N 2.87Å; E1098-S1100 VanDerWaalsContact O-N 3.11Å; S1100-D1102 PolarHBondContact O-N 2.84Å
1101N24.4Very low31.6Very low175 Ų175118.6 Ų118.694%0.93666%0.656SS**SBendtrans-55.3101.5-176.5-76.4-18.2000112.4
1102D26.3Very low32.8Very low69 Ų69118.7 Ų118.737%0.36965%0.652SS.*  trans-142.171.8176.7-149-38000111S1100 T1104 I1105S1100-D1102 PolarHBondContact O-N 2.84Å; D1102-T1104 PolarHBondContact O-N 2.93Å; D1102-I1105 HydrophobicContact CB-CB 4.42Å; D1102-I1105 WeakPolarHBondContact OD1-CB 3.45Å; D1102-I1105 VanDerWaalsContact OD1-CG1 3.27Å; D1102-I1105 WeakPolarHBondContact OD1-CG1 3.37Å; D1102-I1105 PolarHBondContact OD1-N 3.41Å; D1102-I1105 WeakPolarHBondContact OD2-CD1 3.38Å
1103S29.1Very low34.6Very low99 Ų99114.5 Ų114.569%0.69263%0.629SS**Hα-helixtrans-61.5-33.7172.941.50000111.7Q1106S1103-Q1106 PolarHBondContact O-N 3.18Å
1104T29.7Very low36.8Very low101 Ų101112.6 Ų112.662%0.6262%0.617SS**Hα-helixtrans-74.5-31.7-173.3-30.20000112.7D1102D1102-T1104 PolarHBondContact O-N 2.93Å
1105I33.8Very low39.1Very low106 Ų106109 Ų10954%0.54459%0.592SS.*Hα-helixtrans-70-32.4175.8-78.6-176.8000112.9D1102 E1107 S1108 G1109D1102-I1105 HydrophobicContact CB-CB 4.42Å; D1102-I1105 WeakPolarHBondContact OD1-CB 3.45Å; D1102-I1105 VanDerWaalsContact OD1-CG1 3.27Å; D1102-I1105 WeakPolarHBondContact OD1-CG1 3.37Å; D1102-I1105 PolarHBondContact OD1-N 3.41Å; D1102-I1105 WeakPolarHBondContact OD2-CD1 3.38Å; I1105-E1107 PolarHBondContact O-N 2.82Å; I1105-S1108 PolarHBondContact O-N 3.03Å; I1105-S1108 PolarHBondContact O-OG 3.36Å; I1105-G1109 PolarHBondContact O-N 3.49Å
1106Q34.3Very low41.7Very low147 Ų147101 Ų10169%0.68756%0.557SS**Hα-helixtrans-66-34.5-171.8-67.1-162.72100114.1S1103 G1109 R1110S1103-Q1106 PolarHBondContact O-N 3.18Å; Q1106-G1109 PolarHBondContact O-N 3.45Å; Q1106-R1110 PolarHBondContact O-N 3.47Å
1107E31.5Very low44.7Very low135 Ų13597.7 Ų97.763%0.63152%0.519SS*.Hα-helixtrans-68.5-42.9177.7-65.3-170.7128.500111.3I1105 G1109 R1110 D1111I1105-E1107 PolarHBondContact O-N 2.82Å; E1107-G1109 PolarHBondContact O-N 3.18Å; E1107-R1110 WeakPolarHBondContact O-CB 3.09Å; E1107-R1110 PolarHBondContact O-N 3.27Å; E1107-D1111 PolarHBondContact O-N 3.42Å
1108S38Very low47.6Very low44 Ų4496 Ų9631%0.30851%0.509SS..Hα-helixtrans-55.7-30.3172.190.60000112.4I1105 K1112I1105-S1108 PolarHBondContact O-N 3.03Å; I1105-S1108 PolarHBondContact O-OG 3.36Å; S1108-K1112 WeakPolarHBondContact O-CB 3.35Å; S1108-K1112 WeakPolarHBondContact O-CD 3.39Å; S1108-K1112 WeakPolarHBondContact O-CE 3.36Å; S1108-K1112 WeakPolarHBondContact O-CG 3.44Å; S1108-K1112 PolarHBondContact O-N 3.07Å; S1108-K1112 PolarHBondContact OG-NZ 3.12Å
1109G39.4Very low50.5Low37 Ų3790 Ų9038%0.38148%0.483SS..Hα-helixtrans-69.9-37.1174.500000113.6I1105 Q1106 E1107 L1113I1105-G1109 PolarHBondContact O-N 3.49Å; Q1106-G1109 PolarHBondContact O-N 3.45Å; E1107-G1109 PolarHBondContact O-N 3.18Å; G1109-L1113 VanDerWaalsContact O-CB 3.29Å; G1109-L1113 WeakPolarHBondContact O-CB 3.03Å; G1109-L1113 PolarHBondContact O-N 2.93Å
1110R52.8Low53.7Low173 Ų17384.3 Ų84.365%0.65345%0.446SS*.Hα-helixtrans-67.6-45.7176.6-74.9-176.3171.9-176.40111.9Q1106 E1107 L1113 S1114Q1106-R1110 PolarHBondContact O-N 3.47Å; E1107-R1110 WeakPolarHBondContact O-CB 3.09Å; E1107-R1110 PolarHBondContact O-N 3.27Å; R1110-L1113 PolarHBondContact O-N 2.68Å; R1110-S1114 WeakPolarHBondContact O-CB 3.19Å; R1110-S1114 PolarHBondContact O-N 3.04Å
1111D55.5Low56.8Low107 Ų10780.2 Ų80.257%0.57242%0.419SS*.Hα-helixtrans-71.5-38.1-178.1-69.4-34.3000112.7E1107 L1113 S1114 R1115E1107-D1111 PolarHBondContact O-N 3.42Å; D1111-L1113 PolarHBondContact O-N 2.71Å; D1111-S1114 WeakPolarHBondContact O-CB 3.39Å; D1111-S1114 PolarHBondContact O-N 2.92Å; D1111-R1115 PolarHBondContact O-N 3.35Å
1112K58.5Low60Low100 Ų10075 Ų7544%0.43539%0.389SS..Hα-helixtrans-52.9-56.9166.3-72.7162.6-162.8157.50109.2S1108 S1114 R1115 W1116S1108-K1112 WeakPolarHBondContact O-CB 3.35Å; S1108-K1112 WeakPolarHBondContact O-CD 3.39Å; S1108-K1112 WeakPolarHBondContact O-CE 3.36Å; S1108-K1112 WeakPolarHBondContact O-CG 3.44Å; S1108-K1112 PolarHBondContact O-N 3.07Å; S1108-K1112 PolarHBondContact OG-NZ 3.12Å; K1112-S1114 PolarHBondContact O-N 2.66Å; K1112-R1115 PolarHBondContact O-N 2.83Å; K1112-W1116 PolarHBondContact O-N 3.21Å
1113L71.1Confident63Low36 Ų3672 Ų7219%0.18837%0.374CS..Hα-helixtrans-57.1-35.9-179.4-175.957.3000112.8G1109 R1110 D1111 V1117 L1165 Y1168G1109-L1113 VanDerWaalsContact O-CB 3.29Å; G1109-L1113 WeakPolarHBondContact O-CB 3.03Å; G1109-L1113 PolarHBondContact O-N 2.93Å; R1110-L1113 PolarHBondContact O-N 2.68Å; D1111-L1113 PolarHBondContact O-N 2.71Å; L1113-V1117 WeakPolarHBondContact O-CB 3.43Å; L1113-V1117 VanDerWaalsContact O-CG2 3.29Å; L1113-V1117 WeakPolarHBondContact O-CG2 3.45Å; L1113-V1117 PolarHBondContact O-N 2.93Å; L1113-L1165 HydrophobicContact CD1-CD2 3.57Å; L1113-Y1168 HydrophobicContact CD2-CD1 4.12Å; L1113-Y1168 HydrophobicContact CD2-CD2 3.58Å; L1113-Y1168 HydrophobicContact CD2-CE1 4.05Å; L1113-Y1168 HydrophobicContact CD2-CE2 3.49Å; L1113-Y1168 VanDerWaalsContact CD2-CE2 3.49Å; L1113-Y1168 HydrophobicContact CD2-CG 3.88Å; L1113-Y1168 HydrophobicContact CG-CD1 4.24Å; L1113-Y1168 HydrophobicContact CG-CD2 4.4Å; L1113-Y1168 HydrophobicContact CG-CE1 4.43Å; L1113-Y1168 HydrophobicContact CG-CG 4.21Å
1114S75.5Confident66.1Low57 Ų5768 Ų6840%0.39935%0.345SS..Hα-helixtrans-63.7-48.7173.1-167.90000112.4R1110 D1111 K1112 W1116 V1117 K1118R1110-S1114 WeakPolarHBondContact O-CB 3.19Å; R1110-S1114 PolarHBondContact O-N 3.04Å; D1111-S1114 WeakPolarHBondContact O-CB 3.39Å; D1111-S1114 PolarHBondContact O-N 2.92Å; K1112-S1114 PolarHBondContact O-N 2.66Å; S1114-W1116 PolarHBondContact O-N 2.93Å; S1114-V1117 PolarHBondContact O-N 3.11Å; S1114-K1118 PolarHBondContact O-N 3.45Å
1115R75.5Confident69.1Low82 Ų8266.9 Ų66.931%0.30933%0.33SS..Hα-helixtrans-60-44.1174-71.1-169.8-174.4162.59.9111.7E1000 D1111 K1112 V1117 K1118 A1119E1000-R1115 IonicContact OE1-CZ 3.38Å; E1000-R1115 IonicContact OE1-NE 3.23Å; E1000-R1115 PolarHBondContact OE1-NE 2.92Å; E1000-R1115 IonicContact OE1-NH2 2.7Å; E1000-R1115 PolarHBondContact OE1-NH2 3.23Å; E1000-R1115 IonicContact OE2-CZ 2.72Å; E1000-R1115 IonicContact OE2-NE 3.94Å; E1000-R1115 PolarHBondContact OE2-NE 3.39Å; E1000-R1115 IonicContact OE2-NH2 3.89Å; E1000-R1115 PolarHBondContact OE2-NH2 2.6Å; D1111-R1115 PolarHBondContact O-N 3.35Å; K1112-R1115 PolarHBondContact O-N 2.83Å; R1115-V1117 PolarHBondContact O-N 3.26Å; R1115-K1118 PolarHBondContact O-N 3.43Å; R1115-A1119 WeakPolarHBondContact O-CB 3.2Å; R1115-A1119 PolarHBondContact O-N 3.47Å
1116W78.8Confident71.8Confident21 Ų2163 Ų638%0.0831%0.312CS..Hα-helixtrans-63.6-37.3176-75.496.7000112.2L1044 I1088 K1112 S1114 A1119 L1120 M1139 F1161 L1165L1044-W1116 HydrophobicContact CB-CH2 4.44Å; L1044-W1116 HydrophobicContact CB-CZ2 4.44Å; L1044-W1116 HydrophobicContact CD1-CD2 4.29Å; L1044-W1116 HydrophobicContact CD1-CH2 4.46Å; L1044-W1116 HydrophobicContact CD1-CZ2 3.75Å; L1044-W1116 HydrophobicContact CD2-CD2 4.2Å; L1044-W1116 HydrophobicContact CD2-CE3 4.13Å; L1044-W1116 HydrophobicContact CD2-CH2 4.44Å; L1044-W1116 HydrophobicContact CD2-CZ2 4.43Å; L1044-W1116 HydrophobicContact CD2-CZ3 4.26Å; L1044-W1116 HydrophobicContact CG-CD2 4.12Å; L1044-W1116 HydrophobicContact CG-CE3 4.23Å; L1044-W1116 HydrophobicContact CG-CH2 3.73Å; L1044-W1116 HydrophobicContact CG-CZ2 3.52Å; L1044-W1116 HydrophobicContact CG-CZ3 4.06Å; I1088-W1116 HydrophobicContact CD1-CH2 4.02Å; I1088-W1116 HydrophobicContact CD1-CZ2 3.53Å; K1112-W1116 PolarHBondContact O-N 3.21Å; S1114-W1116 PolarHBondContact O-N 2.93Å; W1116-A1119 PolarHBondContact O-N 3.34Å; W1116-L1120 WeakPolarHBondContact O-CB 3.06Å; W1116-L1120 PolarHBondContact O-N 2.94Å; W1116-M1139 HydrophobicContact CE3-CE 3.64Å; W1116-M1139 HydrophobicContact CZ3-CE 3.94Å; W1116-F1161 HydrophobicContact CD2-CE1 4.38Å; W1116-F1161 AromaticContact CD2-CZ 3.69Å; W1116-F1161 HydrophobicContact CD2-CZ 3.69Å; W1116-F1161 AromaticContact CE3-CE1 3.52Å; W1116-F1161 HydrophobicContact CE3-CE1 3.52Å; W1116-F1161 HydrophobicContact CE3-CE2 4.49Å; W1116-F1161 AromaticContact CE3-CZ 3.28Å; W1116-F1161 HydrophobicContact CE3-CZ 3.28Å; W1116-F1161 HydrophobicContact CG-CZ 4.33Å; W1116-F1161 HydrophobicContact CH2-CE1 4.19Å; W1116-F1161 AromaticContact CH2-CZ 3.91Å; W1116-F1161 HydrophobicContact CH2-CZ 3.91Å; W1116-F1161 HydrophobicContact CZ2-CZ 4.31Å; W1116-F1161 AromaticContact CZ3-CE1 3.4Å; W1116-F1161 HydrophobicContact CZ3-CE1 3.4Å; W1116-F1161 VanDerWaalsContact CZ3-CE1 3.4Å; W1116-F1161 HydrophobicContact CZ3-CE2 4.48Å; W1116-F1161 AromaticContact CZ3-CZ 3.4Å; W1116-F1161 HydrophobicContact CZ3-CZ 3.4Å; W1116-L1165 HydrophobicContact CB-CD1 4.14Å; W1116-L1165 HydrophobicContact CB-CD2 3.74Å; W1116-L1165 HydrophobicContact CE3-CD1 4.48Å
1117V86.6Confident74.5Confident15 Ų1567.7 Ų67.79%0.09132%0.323CS..Hα-helixtrans-67.4-40.1173.5165.60000112L1113 S1114 R1115 L1120 G1121 L1165 H1169L1113-V1117 WeakPolarHBondContact O-CB 3.43Å; L1113-V1117 VanDerWaalsContact O-CG2 3.29Å; L1113-V1117 WeakPolarHBondContact O-CG2 3.45Å; L1113-V1117 PolarHBondContact O-N 2.93Å; S1114-V1117 PolarHBondContact O-N 3.11Å; R1115-V1117 PolarHBondContact O-N 3.26Å; V1117-L1120 PolarHBondContact O-N 2.95Å; V1117-G1121 PolarHBondContact O-N 3Å; V1117-L1165 HydrophobicContact CG2-CD2 4.17Å; V1117-H1169 HydrophobicContact CG1-CB 3.95Å
1118K85.2Confident76.8Confident155 Ų15565.1 Ų65.167%0.67431%0.314SS*.Hα-helixtrans-60.8-43.8171.3-77.8-177.1177.3177.80111.2S1114 R1115 G1121 H1122S1114-K1118 PolarHBondContact O-N 3.45Å; R1115-K1118 PolarHBondContact O-N 3.43Å; K1118-G1121 PolarHBondContact O-N 3.34Å; K1118-H1122 WeakPolarHBondContact O-CB 3.47Å; K1118-H1122 PolarHBondContact O-N 2.73Å
1119A85.2Confident78.6Confident12 Ų1267.6 Ų67.610%0.09934%0.337CS..Hα-helixtrans-63.9-43.2177.900000112.7R1115 W1116 H1122 S1123 A1135R1115-A1119 WeakPolarHBondContact O-CB 3.2Å; R1115-A1119 PolarHBondContact O-N 3.47Å; W1116-A1119 PolarHBondContact O-N 3.34Å; A1119-H1122 PolarHBondContact O-N 3.43Å; A1119-S1123 WeakPolarHBondContact O-CB 3.4Å; A1119-S1123 PolarHBondContact O-N 3.2Å; A1119-A1135 HydrophobicContact CB-CB 4.05Å
1120L91.8Very high80.2Confident0 Ų072.5 Ų72.50%036%0.355CS..Hα-helixtrans-60.6-43.6172173.162.7000112W1116 V1117 S1123 C1124 M1139 V1143 I1162 L1165 V1180W1116-L1120 WeakPolarHBondContact O-CB 3.06Å; W1116-L1120 PolarHBondContact O-N 2.94Å; V1117-L1120 PolarHBondContact O-N 2.95Å; L1120-S1123 PolarHBondContact O-OG 2.9Å; L1120-S1123 VanDerWaalsContact O-OG 3.1Å; L1120-C1124 PolarHBondContact O-N 2.87Å; L1120-C1124 PolarHBondContact O-SG 3.2Å; L1120-M1139 HydrophobicContact CB-CG 4.38Å; L1120-M1139 HydrophobicContact CB-SD 4.26Å; L1120-M1139 HydrophobicContact CD1-CG 4.46Å; L1120-M1139 HydrophobicContact CD1-SD 4.21Å; L1120-V1143 HydrophobicContact CD1-CG2 3.31Å; L1120-I1162 HydrophobicContact CD1-CD1 4.32Å; L1120-L1165 HydrophobicContact CB-CD1 4.16Å; L1120-L1165 HydrophobicContact CD2-CB 3.45Å; L1120-L1165 VanDerWaalsContact CD2-CB 3.45Å; L1120-L1165 HydrophobicContact CD2-CD1 4.28Å; L1120-V1180 HydrophobicContact CD1-CG1 4.43Å; L1120-V1180 HydrophobicContact CD2-CG1 3.75Å; L1120-V1180 HydrophobicContact CG-CG1 3.95Å
1121G91Very high81.2Confident13 Ų1365.9 Ų65.913%0.13433%0.334CS..Hα-helixtrans-56-62.4173.400000110.6V1117 K1118 S1123 C1124 Y1125V1117-G1121 PolarHBondContact O-N 3Å; K1118-G1121 PolarHBondContact O-N 3.34Å; G1121-S1123 VanDerWaalsContact C-N 3.33Å; G1121-S1123 PolarHBondContact O-N 2.94Å; G1121-C1124 PolarHBondContact O-N 2.88Å; G1121-C1124 VanDerWaalsContact O-N 3.08Å; G1121-Y1125 VanDerWaalsContact O-CD2 3.23Å; G1121-Y1125 WeakPolarHBondContact O-CD2 3.36Å
1122H90.6Very high82Confident65 Ų6572.3 Ų72.330%0.30135%0.351SS..Hα-helixtrans-51.7-46.9-179.7174.388.4000112.8K1118 A1119 C1124 Y1125 C1126 C1131 C1136K1118-H1122 WeakPolarHBondContact O-CB 3.47Å; K1118-H1122 PolarHBondContact O-N 2.73Å; A1119-H1122 PolarHBondContact O-N 3.43Å; H1122-C1124 PolarHBondContact O-N 3.41Å; H1122-Y1125 PolarHBondContact O-N 3.38Å; H1122-C1126 WeakPolarHBondContact NE2-CB 3.37Å; H1122-C1126 WeakPolarHBondContact O-CB 3.45Å; H1122-C1126 PolarHBondContact O-N 3.01Å; H1122-C1131 PolarHBondContact NE2-SG 2.96Å; H1122-C1136 PolarHBondContact CD2-SG 2.7Å; H1122-C1136 PolarHBondContact NE2-SG 3.26Å
1123S89.7Confident82.4Confident7 Ų770.8 Ų70.85%0.04935%0.349CS..Hα-helixtrans-61.4-28.4-177.580.70000113.8A1119 L1120 G1121 M1139 K1140A1119-S1123 WeakPolarHBondContact O-CB 3.4Å; A1119-S1123 PolarHBondContact O-N 3.2Å; L1120-S1123 PolarHBondContact O-OG 2.9Å; L1120-S1123 VanDerWaalsContact O-OG 3.1Å; G1121-S1123 VanDerWaalsContact C-N 3.33Å; G1121-S1123 PolarHBondContact O-N 2.94Å; S1123-M1139 VanDerWaalsContact OG-CG 3.29Å; S1123-M1139 WeakPolarHBondContact OG-CG 3.49Å; S1123-K1140 WeakPolarHBondContact O-CG 3.12Å
1124C94Very high82.1Confident14 Ų1479.8 Ų79.810%0.09538%0.382CS..Hα-helixtrans-80-20.7-178.8-67.30000113.7L1120 G1121 H1122 L1179 V1180L1120-C1124 PolarHBondContact O-N 2.87Å; L1120-C1124 PolarHBondContact O-SG 3.2Å; G1121-C1124 PolarHBondContact O-N 2.88Å; G1121-C1124 VanDerWaalsContact O-N 3.08Å; H1122-C1124 PolarHBondContact O-N 3.41Å; C1124-L1179 HydrophobicContact CB-CB 4.17Å; C1124-L1179 WeakPolarHBondContact O-CD1 3.46Å; C1124-V1180 HydrophobicContact CB-CG2 4.21Å
1125Y93.4Very high82.1Confident79 Ų7977.8 Ų77.831%0.3137%0.37SS..Hα-helixtrans-111.3-27.1-177.2-66.6-116000112.3G1121 H1122 R1127 E1175 C1178 L1179 V1180G1121-Y1125 VanDerWaalsContact O-CD2 3.23Å; G1121-Y1125 WeakPolarHBondContact O-CD2 3.36Å; H1122-Y1125 PolarHBondContact O-N 3.38Å; Y1125-R1127 PolarHBondContact O-N 3.09Å; Y1125-R1127 VanDerWaalsContact O-N 3.07Å; Y1125-E1175 WeakPolarHBondContact CE1-OE1 3.42Å; Y1125-E1175 PolarHBondContact OH-OE1 3.41Å; Y1125-E1175 PolarHBondContact OH-OE2 3.33Å; Y1125-C1178 VanDerWaalsContact OH-CA 3.28Å; Y1125-C1178 WeakPolarHBondContact OH-CA 3.27Å; Y1125-C1178 PolarHBondContact OH-SG 2.94Å; Y1125-L1179 HydrophobicContact CD1-CD1 3.79Å; Y1125-L1179 HydrophobicContact CD1-CG 4.28Å; Y1125-L1179 HydrophobicContact CD2-CB 4.08Å; Y1125-L1179 HydrophobicContact CD2-CD1 4.27Å; Y1125-L1179 HydrophobicContact CE1-CB 4.4Å; Y1125-L1179 HydrophobicContact CE1-CD1 4.07Å; Y1125-L1179 HydrophobicContact CE1-CG 4.05Å; Y1125-L1179 HydrophobicContact CE2-CB 3.76Å; Y1125-L1179 HydrophobicContact CE2-CG 4.3Å; Y1125-L1179 HydrophobicContact CG-CD1 3.91Å; Y1125-L1179 PolarHBondContact OH-N 3.39Å; Y1125-L1179 VanDerWaalsContact OH-N 3.14Å; Y1125-V1180 HydrophobicContact CE2-CG2 4.35Å
1126C88.9Confident82.4Confident23 Ų2374 Ų7416%0.15536%0.356CS..  trans-63.4108.3-176.9179.10000111.9H1122 C1131 K1140H1122-C1126 WeakPolarHBondContact NE2-CB 3.37Å; H1122-C1126 WeakPolarHBondContact O-CB 3.45Å; H1122-C1126 PolarHBondContact O-N 3.01Å; C1126-C1131 PolarHBondContact SG-SG 2.93Å; C1126-K1140 WeakPolarHBondContact O-CE 3.3Å; C1126-K1140 PolarHBondContact O-NZ 2.62Å
1127R90.9Very high82.2Confident246 Ų24681.6 Ų81.693%0.92839%0.389SS*.  trans-84.1-15.4175.2-64.5-173.7180-170.9-0.2113.8Y1125 A1129Y1125-R1127 PolarHBondContact O-N 3.09Å; Y1125-R1127 VanDerWaalsContact O-N 3.07Å; R1127-A1129 PolarHBondContact O-N 3.31Å
1128D81Confident81.7Confident82 Ų8282.8 Ų82.844%0.43940%0.397SS..  trans-64.8132.9177.8-176.812.6000111.3N1130 C1131 K1140D1128-N1130 PolarHBondContact OD1-N 3.38Å; D1128-C1131 HydrophobicContact CB-CB 4.1Å; D1128-C1131 WeakPolarHBondContact OD2-CA 3.43Å; D1128-C1131 PolarHBondContact OD2-N 3.2Å; D1128-K1140 PolarHBondContact O-NZ 2.9Å
1129A75.6Confident81.8Confident95 Ų9575.5 Ų75.579%0.78537%0.365SS*.SBendtrans-83.8-29.9175.800000112.2R1127R1127-A1129 PolarHBondContact O-N 3.31Å
1130N73Confident82Confident141 Ų14178 Ų7875%0.75437%0.374SS*.SBendtrans-102.327.5-178.5-66.5-23000111.7D1128 R1132D1128-N1130 PolarHBondContact OD1-N 3.38Å; N1130-R1132 PolarHBondContact O-N 2.89Å
1131C74.5Confident81.6Confident33 Ų3386.3 Ų86.322%0.22341%0.406CS..  trans-60123.9-172-171.10000112.2H1122 C1126 D1128 V1133 C1136H1122-C1131 PolarHBondContact NE2-SG 2.96Å; C1126-C1131 PolarHBondContact SG-SG 2.93Å; D1128-C1131 HydrophobicContact CB-CB 4.1Å; D1128-C1131 WeakPolarHBondContact OD2-CA 3.43Å; D1128-C1131 PolarHBondContact OD2-N 3.2Å; C1131-V1133 VanDerWaalsContact C-N 3.25Å; C1131-V1133 PolarHBondContact O-N 3.41Å; C1131-C1136 HydrophobicContact CB-CB 4.47Å
1132R71.9Confident81.5Confident242 Ų24286.3 Ų86.391%0.91340%0.403SS*.  trans-72.5-12-177.7-59.8-175.2-177.8-171.20.5114.4N1130 Y1134N1130-R1132 PolarHBondContact O-N 2.89Å; R1132-Y1134 PolarHBondContact O-N 3.08Å
1133V67.1Low81.5Confident68 Ų6883.4 Ų83.441%0.41239%0.39SS..  trans-70.1103.5174.8177.60000108.4C1131 A1135 C1136C1131-V1133 VanDerWaalsContact C-N 3.25Å; C1131-V1133 PolarHBondContact O-N 3.41Å; V1133-A1135 VanDerWaalsContact C-N 3.31Å; V1133-A1135 PolarHBondContact O-N 2.99Å; V1133-A1135 VanDerWaalsContact O-N 3.17Å; V1133-C1136 HydrophobicContact CB-CB 4.03Å; V1133-C1136 HydrophobicContact CG1-CB 4.22Å; V1133-C1136 WeakPolarHBondContact O-CB 3.24Å; V1133-C1136 PolarHBondContact O-N 2.94Å
1134Y63.2Low81.4Confident225 Ų22588 Ų8888%0.88241%0.41SS*.Hα-helixtrans-51.4-45.7-168.9-139.6-81.7000113.4R1132 C1136R1132-Y1134 PolarHBondContact O-N 3.08Å; Y1134-C1136 PolarHBondContact O-N 3.48Å
1135A76Confident81.1Confident16 Ų1689.7 Ų89.713%0.13242%0.417CS..Hα-helixtrans-67.3-17.6178.400000114.3L1044 A1119 V1133 K1137 M1139L1044-A1135 HydrophobicContact CD2-CB 3.99Å; A1119-A1135 HydrophobicContact CB-CB 4.05Å; V1133-A1135 VanDerWaalsContact C-N 3.31Å; V1133-A1135 PolarHBondContact O-N 2.99Å; V1133-A1135 VanDerWaalsContact O-N 3.17Å; A1135-K1137 PolarHBondContact O-N 2.83Å; A1135-M1139 WeakPolarHBondContact O-CB 3.4Å; A1135-M1139 PolarHBondContact O-N 3.27Å
1136C81.4Confident81Confident3 Ų386 Ų862%0.0240%0.402CS..Hα-helixtrans-61.3-42-174.9-175.20000112.3H1122 C1131 V1133 Y1134 K1140H1122-C1136 PolarHBondContact CD2-SG 2.7Å; H1122-C1136 PolarHBondContact NE2-SG 3.26Å; C1131-C1136 HydrophobicContact CB-CB 4.47Å; V1133-C1136 HydrophobicContact CB-CB 4.03Å; V1133-C1136 HydrophobicContact CG1-CB 4.22Å; V1133-C1136 WeakPolarHBondContact O-CB 3.24Å; V1133-C1136 PolarHBondContact O-N 2.94Å; Y1134-C1136 PolarHBondContact O-N 3.48Å; C1136-K1140 VanDerWaalsContact O-CB 3.25Å; C1136-K1140 WeakPolarHBondContact O-CB 3.3Å; C1136-K1140 VanDerWaalsContact O-CG 3.24Å; C1136-K1140 WeakPolarHBondContact O-CG 3.37Å; C1136-K1140 PolarHBondContact O-N 3.46Å; C1136-K1140 VanDerWaalsContact SG-CE 3.55Å
1137K75.3Confident81Confident179 Ų17990.9 Ų90.978%0.77842%0.417SS*.Hα-helixtrans-66.5-49-178.2-165.8175.5-178-179.70111.6A1135 K1140 Y1141A1135-K1137 PolarHBondContact O-N 2.83Å; K1137-K1140 PolarHBondContact O-N 2.93Å; K1137-Y1141 PolarHBondContact O-N 2.81Å
1138T76.5Confident80.8Confident40 Ų4084.1 Ų84.125%0.24540%0.403CS..Hα-helixtrans-63.3-45.8175.9-53.80000111.7M1045 K1140 Y1141 Q1142M1045-T1138 HydrophobicContact CE-CG2 3.55Å; M1045-T1138 HydrophobicContact CG-CG2 4.32Å; M1045-T1138 HydrophobicContact SD-CG2 3.51Å; M1045-T1138 VanDerWaalsContact SD-CG2 3.51Å; M1045-T1138 PolarHBondContact SD-OG1 2.93Å; M1045-T1138 VanDerWaalsContact SD-OG1 3.38Å; T1138-K1140 PolarHBondContact O-N 3.38Å; T1138-Y1141 WeakPolarHBondContact O-CB 3.39Å; T1138-Y1141 PolarHBondContact O-N 3.11Å; T1138-Y1141 VanDerWaalsContact O-N 3.1Å; T1138-Q1142 PolarHBondContact O-N 3.46Å
1139M87.5Confident80.8Confident3 Ų383.1 Ų83.12%0.01540%0.396CS..Hα-helixtrans-70.1-33-178.2-167.259.560.700112.1W1116 L1120 S1123 A1135 Y1141 Q1142 V1143 F1161 I1162 L1165W1116-M1139 HydrophobicContact CE3-CE 3.64Å; W1116-M1139 HydrophobicContact CZ3-CE 3.94Å; L1120-M1139 HydrophobicContact CB-CG 4.38Å; L1120-M1139 HydrophobicContact CB-SD 4.26Å; L1120-M1139 HydrophobicContact CD1-CG 4.46Å; L1120-M1139 HydrophobicContact CD1-SD 4.21Å; S1123-M1139 VanDerWaalsContact OG-CG 3.29Å; S1123-M1139 WeakPolarHBondContact OG-CG 3.49Å; A1135-M1139 WeakPolarHBondContact O-CB 3.4Å; A1135-M1139 PolarHBondContact O-N 3.27Å; M1139-Y1141 VanDerWaalsContact C-N 3.32Å; M1139-Q1142 PolarHBondContact O-N 3.17Å; M1139-V1143 HydrophobicContact CG-CG2 4.47Å; M1139-V1143 VanDerWaalsContact O-CB 3.26Å; M1139-V1143 WeakPolarHBondContact O-CB 3.24Å; M1139-V1143 WeakPolarHBondContact O-CG2 3.45Å; M1139-V1143 PolarHBondContact O-N 3.13Å; M1139-F1161 HydrophobicContact CE-CE1 4.43Å; M1139-I1162 HydrophobicContact SD-CD1 3.58Å; M1139-I1162 VanDerWaalsContact SD-CD1 3.58Å; M1139-L1165 HydrophobicContact CE-CD1 4.24Å; M1139-L1165 HydrophobicContact SD-CD1 4.43Å
1140K88.8Confident80.6Confident65 Ų6583 Ų8328%0.28339%0.39SS..Hα-helixtrans-58.5-43.7167.6-83.7175175.8179.70111.1S1123 C1126 D1128 C1136 K1137 T1138 Q1144S1123-K1140 WeakPolarHBondContact O-CG 3.12Å; C1126-K1140 WeakPolarHBondContact O-CE 3.3Å; C1126-K1140 PolarHBondContact O-NZ 2.62Å; D1128-K1140 PolarHBondContact O-NZ 2.9Å; C1136-K1140 VanDerWaalsContact O-CB 3.25Å; C1136-K1140 WeakPolarHBondContact O-CB 3.3Å; C1136-K1140 VanDerWaalsContact O-CG 3.24Å; C1136-K1140 WeakPolarHBondContact O-CG 3.37Å; C1136-K1140 PolarHBondContact O-N 3.46Å; C1136-K1140 VanDerWaalsContact SG-CE 3.55Å; K1137-K1140 PolarHBondContact O-N 2.93Å; T1138-K1140 PolarHBondContact O-N 3.38Å; K1140-Q1144 VanDerWaalsContact O-CB 3.28Å; K1140-Q1144 WeakPolarHBondContact O-CB 3.27Å; K1140-Q1144 PolarHBondContact O-N 3.28Å
1141Y84.2Confident80Confident174 Ų17481.4 Ų81.468%0.68239%0.385SS*.Hα-helixtrans-65-48.6177.1-175.8-95.2000112.3K1137 T1138 M1139 V1143 Q1144 H1145K1137-Y1141 PolarHBondContact O-N 2.81Å; T1138-Y1141 WeakPolarHBondContact O-CB 3.39Å; T1138-Y1141 PolarHBondContact O-N 3.11Å; T1138-Y1141 VanDerWaalsContact O-N 3.1Å; M1139-Y1141 VanDerWaalsContact C-N 3.32Å; Y1141-V1143 PolarHBondContact O-N 2.87Å; Y1141-Q1144 PolarHBondContact O-N 3.47Å; Y1141-H1145 WeakPolarHBondContact O-CB 3.3Å; Y1141-H1145 PolarHBondContact O-N 3.26Å
1142Q87.9Confident79.8Confident13 Ų1384.4 Ų84.46%0.06140%0.399CS..Hα-helixtrans-62-40.8176.9-68.1-166.8-12.700112.5E1056 T1138 M1139 H1145 F1146 V1158 I1162E1056-Q1142 PolarHBondContact OE1-NE2 2.97Å; T1138-Q1142 PolarHBondContact O-N 3.46Å; M1139-Q1142 PolarHBondContact O-N 3.17Å; Q1142-H1145 PolarHBondContact O-N 3.2Å; Q1142-F1146 WeakPolarHBondContact O-CB 3.39Å; Q1142-F1146 PolarHBondContact O-N 2.82Å; Q1142-V1158 HydrophobicContact CB-CG1 3.8Å; Q1142-V1158 HydrophobicContact CG-CG1 3.74Å; Q1142-I1162 HydrophobicContact CB-CD1 3.81Å; Q1142-I1162 HydrophobicContact CB-CG1 3.99Å
1143V90Very high79.7Confident3 Ų376.3 Ų76.32%0.01837%0.368CS..Hα-helixtrans-63.8-40.8174.1166.40000111.7L1120 M1139 Y1141 F1146 R1147 I1162 P1181L1120-V1143 HydrophobicContact CD1-CG2 3.31Å; M1139-V1143 HydrophobicContact CG-CG2 4.47Å; M1139-V1143 VanDerWaalsContact O-CB 3.26Å; M1139-V1143 WeakPolarHBondContact O-CB 3.24Å; M1139-V1143 WeakPolarHBondContact O-CG2 3.45Å; M1139-V1143 PolarHBondContact O-N 3.13Å; Y1141-V1143 PolarHBondContact O-N 2.87Å; V1143-F1146 PolarHBondContact O-N 2.85Å; V1143-R1147 VanDerWaalsContact O-CG 3.29Å; V1143-R1147 WeakPolarHBondContact O-CG 3.39Å; V1143-R1147 PolarHBondContact O-N 2.78Å; V1143-I1162 HydrophobicContact CG2-CD1 4.22Å; V1143-P1181 HydrophobicContact CG1-CG 3.98Å
1144Q89.1Confident79.5Confident103 Ų10378.9 Ų78.948%0.48138%0.38SS..Hα-helixtrans-68-43.4177.9-169.866.9-0.900111.2K1140 Y1141 F1146 R1147 V1148K1140-Q1144 VanDerWaalsContact O-CB 3.28Å; K1140-Q1144 WeakPolarHBondContact O-CB 3.27Å; K1140-Q1144 PolarHBondContact O-N 3.28Å; Y1141-Q1144 PolarHBondContact O-N 3.47Å; Q1144-F1146 PolarHBondContact O-N 2.85Å; Q1144-R1147 WeakPolarHBondContact O-CB 3.32Å; Q1144-R1147 PolarHBondContact O-N 3.46Å; Q1144-R1147 VanDerWaalsContact O-N 3.11Å; Q1144-V1148 PolarHBondContact O-N 2.86Å; Q1144-V1148 VanDerWaalsContact O-N 3.15Å
1145H86.3Confident79.7Confident50 Ų5075.6 Ų75.623%0.23137%0.372CS..Hα-helixtrans-55.1-50.5171.2174.586.6000111Y1141 Q1142 R1147 V1148 H1149 C1156Y1141-H1145 WeakPolarHBondContact O-CB 3.3Å; Y1141-H1145 PolarHBondContact O-N 3.26Å; Q1142-H1145 PolarHBondContact O-N 3.2Å; H1145-R1147 PolarHBondContact O-N 3.24Å; H1145-V1148 PolarHBondContact O-N 2.89Å; H1145-H1149 AromaticContact CE1-CD2 3.47Å; H1145-H1149 PolarHBondContact CE1-CD2 3.38Å; H1145-H1149 VanDerWaalsContact CE1-CD2 3.47Å; H1145-H1149 AromaticContact CE1-CG 3.98Å; H1145-H1149 AromaticContact NE2-CD2 3.71Å; H1145-H1149 AromaticContact NE2-CG 3.85Å; H1145-H1149 WeakPolarHBondContact O-CB 3.31Å; H1145-H1149 PolarHBondContact O-N 2.91Å; H1145-C1156 PolarHBondContact NE2-SG 2.77Å
1146F91.6Very high79.4Confident2 Ų276 Ų761%0.00937%0.374CS..Hα-helixtrans-59-33.6176.6-174.4-116000113Q1142 V1143 Q1144 R1153 C1159 I1162 Y1163 P1181 L1182Q1142-F1146 WeakPolarHBondContact O-CB 3.39Å; Q1142-F1146 PolarHBondContact O-N 2.82Å; V1143-F1146 PolarHBondContact O-N 2.85Å; Q1144-F1146 PolarHBondContact O-N 2.85Å; F1146-R1153 PolarHBondContact O-NH2 3.22Å; F1146-C1159 HydrophobicContact CD2-CB 3.86Å; F1146-C1159 HydrophobicContact CE2-CB 4.22Å; F1146-C1159 WeakPolarHBondContact CE2-O 3.32Å; F1146-I1162 HydrophobicContact CB-CB 4.17Å; F1146-I1162 HydrophobicContact CB-CG1 4.45Å; F1146-I1162 HydrophobicContact CB-CG2 3.82Å; F1146-I1162 HydrophobicContact CD1-CB 4.41Å; F1146-I1162 HydrophobicContact CD1-CG2 3.46Å; F1146-I1162 VanDerWaalsContact CD1-CG2 3.46Å; F1146-I1162 HydrophobicContact CD2-CB 4.22Å; F1146-I1162 HydrophobicContact CD2-CG2 4.13Å; F1146-I1162 HydrophobicContact CE1-CG2 3.93Å; F1146-I1162 HydrophobicContact CG-CB 4.04Å; F1146-I1162 HydrophobicContact CG-CG2 3.55Å; F1146-I1162 HydrophobicContact CZ-CG2 4.41Å; F1146-Y1163 HydrophobicContact CZ-CD2 4.4Å; F1146-P1181 HydrophobicContact CD1-CB 3.68Å; F1146-P1181 HydrophobicContact CD1-CG 4.12Å; F1146-P1181 HydrophobicContact CE1-CB 3.64Å; F1146-L1182 HydrophobicContact CE1-CD1 4.04Å; F1146-L1182 HydrophobicContact CE1-CG 4.15Å; F1146-L1182 HydrophobicContact CZ-CD1 3.72Å; F1146-L1182 HydrophobicContact CZ-CG 4.32Å
1147R90.4Very high78.8Confident125 Ų12579.6 Ų79.647%0.47240%0.399SS..Hα-helixtrans-67.6-42.6177.1-76.1167.7176.1176.4-0.5112.7V1143 Q1144 H1145V1143-R1147 VanDerWaalsContact O-CG 3.29Å; V1143-R1147 WeakPolarHBondContact O-CG 3.39Å; V1143-R1147 PolarHBondContact O-N 2.78Å; Q1144-R1147 WeakPolarHBondContact O-CB 3.32Å; Q1144-R1147 PolarHBondContact O-N 3.46Å; Q1144-R1147 VanDerWaalsContact O-N 3.11Å; H1145-R1147 PolarHBondContact O-N 3.24Å
1148V86.1Confident78.7Confident105 Ų10572.5 Ų72.564%0.63637%0.371SS*.Hα-helixtrans-85.7-34.8179.7-66.80000114Q1144 H1145 S1150Q1144-V1148 PolarHBondContact O-N 2.86Å; Q1144-V1148 VanDerWaalsContact O-N 3.15Å; H1145-V1148 PolarHBondContact O-N 2.89Å; V1148-S1150 PolarHBondContact O-N 3.27Å
1149H81.2Confident79Confident60 Ų6070.6 Ų70.628%0.27836%0.359SS..  trans-74.688-179.8-157.5-68000109.8H1145 T1151 R1153H1145-H1149 AromaticContact CE1-CD2 3.47Å; H1145-H1149 PolarHBondContact CE1-CD2 3.38Å; H1145-H1149 VanDerWaalsContact CE1-CD2 3.47Å; H1145-H1149 AromaticContact CE1-CG 3.98Å; H1145-H1149 AromaticContact NE2-CD2 3.71Å; H1145-H1149 AromaticContact NE2-CG 3.85Å; H1145-H1149 WeakPolarHBondContact O-CB 3.31Å; H1145-H1149 PolarHBondContact O-N 2.91Å; H1149-T1151 PolarHBondContact CE1-O 3.44Å; H1149-T1151 PolarHBondContact ND1-O 2.97Å; H1149-R1153 VanDerWaalsContact O-CG 3.27Å; H1149-R1153 WeakPolarHBondContact O-CG 3.47Å; H1149-R1153 PolarHBondContact O-NE 2.78Å
1150S70.9Confident78.7Confident94 Ų9477.5 Ų77.566%0.65739%0.385SS*.  trans-96.5-35.3-174.751.40000112.7V1148V1148-S1150 PolarHBondContact O-N 3.27Å
1151T59.8Low78.4Confident107 Ų10775.5 Ų75.566%0.65638%0.376SS*.SBendtrans-69.6146.6168.935.90000111.5H1149 R1153H1149-T1151 PolarHBondContact CE1-O 3.44Å; H1149-T1151 PolarHBondContact ND1-O 2.97Å; T1151-R1153 VanDerWaalsContact C-N 3.31Å; T1151-R1153 PolarHBondContact O-N 2.89Å
1152D69.7Low78.6Confident95 Ų9567.2 Ų67.251%0.50834%0.344SS..  trans38.942169.9-130.1-41.4000119.1N1154 Q1155D1152-N1154 PolarHBondContact O-N 2.8Å; D1152-Q1155 PolarHBondContact O-N 3.27Å; D1152-Q1155 VanDerWaalsContact O-N 3.13Å; D1152-Q1155 WeakPolarHBondContact OD1-CG 3.42Å; D1152-Q1155 PolarHBondContact OD1-NE2 3.09Å; D1152-Q1155 PolarHBondContact OD2-NE2 3.2Å
1153R71.4Confident78.5Confident72 Ų7271.8 Ų71.827%0.27236%0.361SS..THydrogen-bonded Turntrans-56.8-15.6178.2-73.8-174.9172.3170.63.3115.6F1146 H1149 T1151 C1159F1146-R1153 PolarHBondContact O-NH2 3.22Å; H1149-R1153 VanDerWaalsContact O-CG 3.27Å; H1149-R1153 WeakPolarHBondContact O-CG 3.47Å; H1149-R1153 PolarHBondContact O-NE 2.78Å; T1151-R1153 VanDerWaalsContact C-N 3.31Å; T1151-R1153 PolarHBondContact O-N 2.89Å; R1153-C1159 HydrophobicContact CB-CB 4.02Å; R1153-C1159 HydrophobicContact CG-CB 4.07Å
1154N63.3Low78.2Confident123 Ų12378.6 Ų78.666%0.65839%0.388SS*.THydrogen-bonded Turntrans-77-27.7179.8-73.9-8.1000112.5D1152 R1160D1152-N1154 PolarHBondContact O-N 2.8Å; N1154-R1160 PolarHBondContact O-NH1 2.76Å
1155Q66.4Low78.2Confident155 Ų15573.7 Ų73.772%0.72437%0.365SS*.THydrogen-bonded Turntrans-92.8-29.7-178.6-64.3-175.359.600112.6D1152 S1157D1152-Q1155 PolarHBondContact O-N 3.27Å; D1152-Q1155 VanDerWaalsContact O-N 3.13Å; D1152-Q1155 WeakPolarHBondContact OD1-CG 3.42Å; D1152-Q1155 PolarHBondContact OD1-NE2 3.09Å; D1152-Q1155 PolarHBondContact OD2-NE2 3.2Å; Q1155-S1157 PolarHBondContact O-N 3.17Å
1156C69.8Low78.4Confident25 Ų2571.3 Ų71.317%0.16935%0.354CS..  trans-72.3118175173.20000111.7H1145 V1158 C1159 R1160H1145-C1156 PolarHBondContact NE2-SG 2.77Å; C1156-V1158 PolarHBondContact O-N 3.08Å; C1156-C1159 HydrophobicContact CB-CB 3.85Å; C1156-C1159 PolarHBondContact O-N 2.83Å; C1156-C1159 PolarHBondContact SG-N 2.87Å; C1156-C1159 VanDerWaalsContact SG-N 3.43Å; C1156-C1159 VanDerWaalsContact SG-SG 3.6Å; C1156-R1160 WeakPolarHBondContact O-CB 3.41Å; C1156-R1160 PolarHBondContact O-N 2.85Å
1157S69Low78.1Confident78 Ų7872.8 Ų72.855%0.54536%0.364SS..Hα-helixtrans-54.8-51.6178.3540000112.8Q1155 C1159 R1160 F1161Q1155-S1157 PolarHBondContact O-N 3.17Å; S1157-C1159 VanDerWaalsContact C-N 3.3Å; S1157-C1159 PolarHBondContact O-N 2.84Å; S1157-R1160 WeakPolarHBondContact O-CB 3.41Å; S1157-R1160 PolarHBondContact O-N 3.09Å; S1157-R1160 VanDerWaalsContact O-N 3.14Å; S1157-F1161 WeakPolarHBondContact O-CB 3.41Å; S1157-F1161 PolarHBondContact O-N 3.35Å
1158V73.3Confident77.9Confident31 Ų3170.7 Ų70.719%0.18836%0.357CS..Hα-helixtrans-58.7-40.7178.8-177.70000111.5Q1142 C1156 I1162Q1142-V1158 HydrophobicContact CB-CG1 3.8Å; Q1142-V1158 HydrophobicContact CG-CG1 3.74Å; C1156-V1158 PolarHBondContact O-N 3.08Å; V1158-I1162 WeakPolarHBondContact O-CG1 3.43Å; V1158-I1162 PolarHBondContact O-N 3.2Å
1159C82.3Confident78.2Confident0 Ų066.7 Ų66.70%033%0.331CS..Hα-helixtrans-68.4-41177.2-73.30000112.6F1146 R1153 C1156 S1157 F1161 Y1163F1146-C1159 HydrophobicContact CD2-CB 3.86Å; F1146-C1159 HydrophobicContact CE2-CB 4.22Å; F1146-C1159 WeakPolarHBondContact CE2-O 3.32Å; R1153-C1159 HydrophobicContact CB-CB 4.02Å; R1153-C1159 HydrophobicContact CG-CB 4.07Å; C1156-C1159 HydrophobicContact CB-CB 3.85Å; C1156-C1159 PolarHBondContact O-N 2.83Å; C1156-C1159 PolarHBondContact SG-N 2.87Å; C1156-C1159 VanDerWaalsContact SG-N 3.43Å; C1156-C1159 VanDerWaalsContact SG-SG 3.6Å; S1157-C1159 VanDerWaalsContact C-N 3.3Å; S1157-C1159 PolarHBondContact O-N 2.84Å; C1159-F1161 VanDerWaalsContact C-N 3.34Å; C1159-Y1163 VanDerWaalsContact O-CB 3.23Å; C1159-Y1163 WeakPolarHBondContact O-CB 3.28Å; C1159-Y1163 PolarHBondContact O-N 2.86Å
1160R82.1Confident78.6Confident147 Ų14764.4 Ų64.456%0.55532%0.322SS*.Hα-helixtrans-64.4-40.4176.9-165.5175.5-176.9120.2-7.5111.1N1154 C1156 S1157 Y1164N1154-R1160 PolarHBondContact O-NH1 2.76Å; C1156-R1160 WeakPolarHBondContact O-CB 3.41Å; C1156-R1160 PolarHBondContact O-N 2.85Å; S1157-R1160 WeakPolarHBondContact O-CB 3.41Å; S1157-R1160 PolarHBondContact O-N 3.09Å; S1157-R1160 VanDerWaalsContact O-N 3.14Å; R1160-Y1164 PolarHBondContact O-N 2.76Å; R1160-Y1164 VanDerWaalsContact O-N 3.09Å
1161F81.1Confident79.3Confident24 Ų2466.4 Ų66.411%0.10532%0.319CS..Hα-helixtrans-64.3-54.6175.5-178.2-104.4000112.6L1090 W1116 M1139 S1157 C1159 Y1163 Y1164 L1165L1090-F1161 HydrophobicContact CD1-CD2 3.81Å; L1090-F1161 HydrophobicContact CD1-CE2 4.28Å; W1116-F1161 HydrophobicContact CD2-CE1 4.38Å; W1116-F1161 AromaticContact CD2-CZ 3.69Å; W1116-F1161 HydrophobicContact CD2-CZ 3.69Å; W1116-F1161 AromaticContact CE3-CE1 3.52Å; W1116-F1161 HydrophobicContact CE3-CE1 3.52Å; W1116-F1161 HydrophobicContact CE3-CE2 4.49Å; W1116-F1161 AromaticContact CE3-CZ 3.28Å; W1116-F1161 HydrophobicContact CE3-CZ 3.28Å; W1116-F1161 HydrophobicContact CG-CZ 4.33Å; W1116-F1161 HydrophobicContact CH2-CE1 4.19Å; W1116-F1161 AromaticContact CH2-CZ 3.91Å; W1116-F1161 HydrophobicContact CH2-CZ 3.91Å; W1116-F1161 HydrophobicContact CZ2-CZ 4.31Å; W1116-F1161 AromaticContact CZ3-CE1 3.4Å; W1116-F1161 HydrophobicContact CZ3-CE1 3.4Å; W1116-F1161 VanDerWaalsContact CZ3-CE1 3.4Å; W1116-F1161 HydrophobicContact CZ3-CE2 4.48Å; W1116-F1161 AromaticContact CZ3-CZ 3.4Å; W1116-F1161 HydrophobicContact CZ3-CZ 3.4Å; M1139-F1161 HydrophobicContact CE-CE1 4.43Å; S1157-F1161 WeakPolarHBondContact O-CB 3.41Å; S1157-F1161 PolarHBondContact O-N 3.35Å; C1159-F1161 VanDerWaalsContact C-N 3.34Å; F1161-Y1163 VanDerWaalsContact C-N 3.27Å; F1161-Y1163 PolarHBondContact O-N 2.7Å; F1161-Y1164 WeakPolarHBondContact O-CB 3.41Å; F1161-Y1164 PolarHBondContact O-N 3.23Å; F1161-L1165 HydrophobicContact CD1-CD1 4.29Å; F1161-L1165 HydrophobicContact CE1-CD1 3.44Å; F1161-L1165 VanDerWaalsContact CE1-CD1 3.44Å; F1161-L1165 HydrophobicContact CE1-CG 3.95Å; F1161-L1165 HydrophobicContact CE2-CD2 4.44Å; F1161-L1165 HydrophobicContact CE2-CG 4.37Å; F1161-L1165 HydrophobicContact CZ-CD1 3.63Å; F1161-L1165 HydrophobicContact CZ-CD2 4.02Å; F1161-L1165 HydrophobicContact CZ-CG 3.82Å; F1161-L1165 PolarHBondContact O-N 3.33Å; F1161-L1165 VanDerWaalsContact O-N 3.08Å
1162I88.6Confident80.4Confident0 Ų065.2 Ų65.20%031%0.311CS..Hα-helixtrans-60.2-38.3177.3-67-68.7000111.1L1120 M1139 Q1142 V1143 F1146 V1158 Y1164 L1165 C1166L1120-I1162 HydrophobicContact CD1-CD1 4.32Å; M1139-I1162 HydrophobicContact SD-CD1 3.58Å; M1139-I1162 VanDerWaalsContact SD-CD1 3.58Å; Q1142-I1162 HydrophobicContact CB-CD1 3.81Å; Q1142-I1162 HydrophobicContact CB-CG1 3.99Å; V1143-I1162 HydrophobicContact CG2-CD1 4.22Å; F1146-I1162 HydrophobicContact CB-CB 4.17Å; F1146-I1162 HydrophobicContact CB-CG1 4.45Å; F1146-I1162 HydrophobicContact CB-CG2 3.82Å; F1146-I1162 HydrophobicContact CD1-CB 4.41Å; F1146-I1162 HydrophobicContact CD1-CG2 3.46Å; F1146-I1162 VanDerWaalsContact CD1-CG2 3.46Å; F1146-I1162 HydrophobicContact CD2-CB 4.22Å; F1146-I1162 HydrophobicContact CD2-CG2 4.13Å; F1146-I1162 HydrophobicContact CE1-CG2 3.93Å; F1146-I1162 HydrophobicContact CG-CB 4.04Å; F1146-I1162 HydrophobicContact CG-CG2 3.55Å; F1146-I1162 HydrophobicContact CZ-CG2 4.41Å; V1158-I1162 WeakPolarHBondContact O-CG1 3.43Å; V1158-I1162 PolarHBondContact O-N 3.2Å; I1162-Y1164 VanDerWaalsContact C-N 3.31Å; I1162-Y1164 PolarHBondContact O-N 3.47Å; I1162-L1165 PolarHBondContact O-N 2.86Å; I1162-C1166 WeakPolarHBondContact O-CB 3.19Å; I1162-C1166 PolarHBondContact O-N 3.23Å; I1162-C1166 PolarHBondContact O-SG 2.84Å
1163Y86.3Confident81.3Confident108 Ų10861.5 Ų61.542%0.42429%0.293SS..Hα-helixtrans-58.6-41.5173.6-178.5-89.8000112.4F1146 C1159 F1161 C1166 C1167 L1182F1146-Y1163 HydrophobicContact CZ-CD2 4.4Å; C1159-Y1163 VanDerWaalsContact O-CB 3.23Å; C1159-Y1163 WeakPolarHBondContact O-CB 3.28Å; C1159-Y1163 PolarHBondContact O-N 2.86Å; F1161-Y1163 VanDerWaalsContact C-N 3.27Å; F1161-Y1163 PolarHBondContact O-N 2.7Å; Y1163-C1166 PolarHBondContact O-N 2.82Å; Y1163-C1167 WeakPolarHBondContact CE1-SG 3.39Å; Y1163-C1167 PolarHBondContact O-N 3.5Å; Y1163-C1167 PolarHBondContact O-SG 2.93Å; Y1163-L1182 HydrophobicContact CD2-CD1 3.52Å; Y1163-L1182 HydrophobicContact CE2-CD1 3.74Å
1164Y83.9Confident82.1Confident146 Ų14666.6 Ų66.657%0.57332%0.319SS*.Hα-helixtrans-65.3-47179.1-147.4-76.7000111.8R1160 F1161 I1162 C1166 C1167 Y1168R1160-Y1164 PolarHBondContact O-N 2.76Å; R1160-Y1164 VanDerWaalsContact O-N 3.09Å; F1161-Y1164 WeakPolarHBondContact O-CB 3.41Å; F1161-Y1164 PolarHBondContact O-N 3.23Å; I1162-Y1164 VanDerWaalsContact C-N 3.31Å; I1162-Y1164 PolarHBondContact O-N 3.47Å; Y1164-C1166 VanDerWaalsContact C-N 3.35Å; Y1164-C1166 PolarHBondContact O-N 2.94Å; Y1164-C1167 WeakPolarHBondContact O-CB 3.47Å; Y1164-C1167 PolarHBondContact O-N 3.14Å; Y1164-Y1168 PolarHBondContact O-N 3.37Å
1165L88.6Confident83.2Confident1 Ų165.2 Ų65.21%0.00531%0.309CS..Hα-helixtrans-61.1-41.8173.9-65.5-171.8000112L1113 W1116 V1117 L1120 M1139 F1161 I1162 C1167 Y1168 H1169L1113-L1165 HydrophobicContact CD1-CD2 3.57Å; W1116-L1165 HydrophobicContact CB-CD1 4.14Å; W1116-L1165 HydrophobicContact CB-CD2 3.74Å; W1116-L1165 HydrophobicContact CE3-CD1 4.48Å; V1117-L1165 HydrophobicContact CG2-CD2 4.17Å; L1120-L1165 HydrophobicContact CB-CD1 4.16Å; L1120-L1165 HydrophobicContact CD2-CB 3.45Å; L1120-L1165 VanDerWaalsContact CD2-CB 3.45Å; L1120-L1165 HydrophobicContact CD2-CD1 4.28Å; M1139-L1165 HydrophobicContact CE-CD1 4.24Å; M1139-L1165 HydrophobicContact SD-CD1 4.43Å; F1161-L1165 HydrophobicContact CD1-CD1 4.29Å; F1161-L1165 HydrophobicContact CE1-CD1 3.44Å; F1161-L1165 VanDerWaalsContact CE1-CD1 3.44Å; F1161-L1165 HydrophobicContact CE1-CG 3.95Å; F1161-L1165 HydrophobicContact CE2-CD2 4.44Å; F1161-L1165 HydrophobicContact CE2-CG 4.37Å; F1161-L1165 HydrophobicContact CZ-CD1 3.63Å; F1161-L1165 HydrophobicContact CZ-CD2 4.02Å; F1161-L1165 HydrophobicContact CZ-CG 3.82Å; F1161-L1165 PolarHBondContact O-N 3.33Å; F1161-L1165 VanDerWaalsContact O-N 3.08Å; I1162-L1165 PolarHBondContact O-N 2.86Å; L1165-C1167 VanDerWaalsContact C-N 3.3Å; L1165-C1167 PolarHBondContact O-N 3.33Å; L1165-Y1168 PolarHBondContact O-N 3.41Å; L1165-H1169 VanDerWaalsContact O-CB 3.27Å; L1165-H1169 WeakPolarHBondContact O-CB 3.47Å; L1165-H1169 PolarHBondContact O-N 3.01Å
1166C90.8Very high83.9Confident0 Ų066.1 Ų66.10%032%0.318CS..Hα-helixtrans-62-37.7175.8-67.60000111.9I1162 Y1163 Y1164 S1170 P1181 L1186I1162-C1166 WeakPolarHBondContact O-CB 3.19Å; I1162-C1166 PolarHBondContact O-N 3.23Å; I1162-C1166 PolarHBondContact O-SG 2.84Å; Y1163-C1166 PolarHBondContact O-N 2.82Å; Y1164-C1166 VanDerWaalsContact C-N 3.35Å; Y1164-C1166 PolarHBondContact O-N 2.94Å; C1166-S1170 VanDerWaalsContact O-CB 3.31Å; C1166-S1170 WeakPolarHBondContact O-CB 3.48Å; C1166-S1170 PolarHBondContact O-N 3.35Å; C1166-P1181 WeakPolarHBondContact CB-O 3.37Å; C1166-P1181 PolarHBondContact SG-O 2.86Å; C1166-L1186 HydrophobicContact CB-CD1 4.16Å
1167C85.1Confident84.7Confident33 Ų3373.9 Ų73.922%0.22335%0.349CS..Hα-helixtrans-63.9-45.3173.8-710000111.9Y1163 Y1164 L1165 S1170Y1163-C1167 WeakPolarHBondContact CE1-SG 3.39Å; Y1163-C1167 PolarHBondContact O-N 3.5Å; Y1163-C1167 PolarHBondContact O-SG 2.93Å; Y1164-C1167 WeakPolarHBondContact O-CB 3.47Å; Y1164-C1167 PolarHBondContact O-N 3.14Å; L1165-C1167 VanDerWaalsContact C-N 3.3Å; L1165-C1167 PolarHBondContact O-N 3.33Å; C1167-S1170 PolarHBondContact O-N 2.97Å; C1167-S1170 PolarHBondContact O-OG 2.84Å
1168Y86.2Confident85.8Confident80 Ų8070.7 Ų70.731%0.31433%0.326SS..Hα-helixtrans-67.2-48.3179.1-138.1-92.4000111.8L1113 Y1164 L1165 S1170 K1171L1113-Y1168 HydrophobicContact CD2-CD1 4.12Å; L1113-Y1168 HydrophobicContact CD2-CD2 3.58Å; L1113-Y1168 HydrophobicContact CD2-CE1 4.05Å; L1113-Y1168 HydrophobicContact CD2-CE2 3.49Å; L1113-Y1168 VanDerWaalsContact CD2-CE2 3.49Å; L1113-Y1168 HydrophobicContact CD2-CG 3.88Å; L1113-Y1168 HydrophobicContact CG-CD1 4.24Å; L1113-Y1168 HydrophobicContact CG-CD2 4.4Å; L1113-Y1168 HydrophobicContact CG-CE1 4.43Å; L1113-Y1168 HydrophobicContact CG-CG 4.21Å; Y1164-Y1168 PolarHBondContact O-N 3.37Å; L1165-Y1168 PolarHBondContact O-N 3.41Å; Y1168-S1170 VanDerWaalsContact C-N 3.26Å; Y1168-S1170 PolarHBondContact O-N 3.39Å; Y1168-K1171 WeakPolarHBondContact O-CB 3.02Å; Y1168-K1171 PolarHBondContact O-N 2.97Å; Y1168-K1171 VanDerWaalsContact O-N 3.09Å
1169H92Very high86.7Confident21 Ų2173.4 Ų73.410%0.09734%0.339CS..Hα-helixtrans-53.9-40173.2177.284.3000112.5V1117 L1165 K1171 T1172 C1173 C1178 C1183V1117-H1169 HydrophobicContact CG1-CB 3.95Å; L1165-H1169 VanDerWaalsContact O-CB 3.27Å; L1165-H1169 WeakPolarHBondContact O-CB 3.47Å; L1165-H1169 PolarHBondContact O-N 3.01Å; H1169-K1171 PolarHBondContact O-N 3.46Å; H1169-K1171 VanDerWaalsContact O-N 3.13Å; H1169-T1172 PolarHBondContact O-N 3.31Å; H1169-C1173 VanDerWaalsContact NE2-CB 3.32Å; H1169-C1173 WeakPolarHBondContact NE2-CB 3.47Å; H1169-C1173 PolarHBondContact NE2-SG 3.11Å; H1169-C1173 VanDerWaalsContact NE2-SG 3.38Å; H1169-C1173 WeakPolarHBondContact O-CB 3.31Å; H1169-C1173 PolarHBondContact O-N 3.34Å; H1169-C1178 PolarHBondContact NE2-SG 3.35Å; H1169-C1183 VanDerWaalsContact CD2-SG 3.58Å
1170S89.9Confident87.3Confident12 Ų1273.6 Ų73.68%0.08434%0.34CS..Hα-helixtrans-64.2-17.8-179.174.80000115C1166 C1167 Y1168 L1186C1166-S1170 VanDerWaalsContact O-CB 3.31Å; C1166-S1170 WeakPolarHBondContact O-CB 3.48Å; C1166-S1170 PolarHBondContact O-N 3.35Å; C1167-S1170 PolarHBondContact O-N 2.97Å; C1167-S1170 PolarHBondContact O-OG 2.84Å; Y1168-S1170 VanDerWaalsContact C-N 3.26Å; Y1168-S1170 PolarHBondContact O-N 3.39Å; S1170-L1186 WeakPolarHBondContact OG-CB 3.27Å
1171K85Confident87.7Confident137 Ų13767.4 Ų67.460%0.59632%0.319SS*.Hα-helixtrans-83.1-36.7176-61174.5-177.6176.90112.9Y1168 H1169 M1190Y1168-K1171 WeakPolarHBondContact O-CB 3.02Å; Y1168-K1171 PolarHBondContact O-N 2.97Å; Y1168-K1171 VanDerWaalsContact O-N 3.09Å; H1169-K1171 PolarHBondContact O-N 3.46Å; H1169-K1171 VanDerWaalsContact O-N 3.13Å; K1171-M1190 HydrophobicContact CG-SD 4.44Å
1172T83.7Confident88.2Confident81 Ų8168.4 Ų68.450%0.49733%0.325SS..Hα-helixtrans-102.7-18-173.653.40000113.7H1169 H1174H1169-T1172 PolarHBondContact O-N 3.31Å; T1172-H1174 PolarHBondContact O-CE1 3.06Å; T1172-H1174 PolarHBondContact O-N 2.91Å; T1172-H1174 PolarHBondContact O-ND1 2.93Å
1173C88.5Confident88.4Confident18 Ų1868.4 Ų68.412%0.12233%0.325CS..  trans-66.1129.5176.8175.50000111.5H1169 K1187H1169-C1173 VanDerWaalsContact NE2-CB 3.32Å; H1169-C1173 WeakPolarHBondContact NE2-CB 3.47Å; H1169-C1173 PolarHBondContact NE2-SG 3.11Å; H1169-C1173 VanDerWaalsContact NE2-SG 3.38Å; H1169-C1173 WeakPolarHBondContact O-CB 3.31Å; H1169-C1173 PolarHBondContact O-N 3.34Å; C1173-K1187 WeakPolarHBondContact O-CE 3.28Å; C1173-K1187 PolarHBondContact O-NZ 3.41Å; C1173-K1187 PolarHBondContact SG-NZ 2.91Å; C1173-K1187 VanDerWaalsContact SG-NZ 3.43Å
1174H88Confident88.6Confident178 Ų17866.6 Ų66.682%0.82433%0.327SS*.  trans-98.3-22.1176.6-74.270000113.5T1172T1172-H1174 PolarHBondContact O-CE1 3.06Å; T1172-H1174 PolarHBondContact O-N 2.91Å; T1172-H1174 PolarHBondContact O-ND1 2.93Å
1175E85.8Confident88.9Confident95 Ų9567.4 Ų67.444%0.44433%0.333SS..  trans-57.9144.6-176.9-78.3-172.7-14900115.9Y1125 C1178 K1187Y1125-E1175 WeakPolarHBondContact CE1-OE1 3.42Å; Y1125-E1175 PolarHBondContact OH-OE1 3.41Å; Y1125-E1175 PolarHBondContact OH-OE2 3.33Å; E1175-C1178 HydrophobicContact CB-CB 4.16Å; E1175-K1187 PolarHBondContact O-NZ 3.39Å
1176L81.1Confident89.1Confident173 Ų17368.4 Ų68.491%0.90634%0.338SS*.SBendtrans-80.3-36.1173.8-77.4162.6000113.9
1177K87.3Confident89.1Confident189 Ų18970.9 Ų70.982%0.82235%0.349SS*.SBendtrans-11646.3-175.9-71.2-173.7176.8177.50112.4
1178C92.2Very high89.2Confident11 Ų1172 Ų727%0.07436%0.361CS..  trans-63.7134.1-172.9-175.40000113.6Y1125 H1169 E1175 V1180 C1183Y1125-C1178 VanDerWaalsContact OH-CA 3.28Å; Y1125-C1178 WeakPolarHBondContact OH-CA 3.27Å; Y1125-C1178 PolarHBondContact OH-SG 2.94Å; H1169-C1178 PolarHBondContact NE2-SG 3.35Å; E1175-C1178 HydrophobicContact CB-CB 4.16Å; C1178-V1180 PolarHBondContact SG-N 3.5Å; C1178-C1183 HydrophobicContact CB-CB 4.37Å
1179L93.2Very high89.3Confident88 Ų8874.5 Ų74.546%0.46137%0.373SS..  trans-83.5-11.5180-60.4-179.2000114.4C1124 Y1125C1124-L1179 HydrophobicContact CB-CB 4.17Å; C1124-L1179 WeakPolarHBondContact O-CD1 3.46Å; Y1125-L1179 HydrophobicContact CD1-CD1 3.79Å; Y1125-L1179 HydrophobicContact CD1-CG 4.28Å; Y1125-L1179 HydrophobicContact CD2-CB 4.08Å; Y1125-L1179 HydrophobicContact CD2-CD1 4.27Å; Y1125-L1179 HydrophobicContact CE1-CB 4.4Å; Y1125-L1179 HydrophobicContact CE1-CD1 4.07Å; Y1125-L1179 HydrophobicContact CE1-CG 4.05Å; Y1125-L1179 HydrophobicContact CE2-CB 3.76Å; Y1125-L1179 HydrophobicContact CE2-CG 4.3Å; Y1125-L1179 HydrophobicContact CG-CD1 3.91Å; Y1125-L1179 PolarHBondContact OH-N 3.39Å; Y1125-L1179 VanDerWaalsContact OH-N 3.14Å
1180V93.6Very high88.9Confident3 Ų377.8 Ų77.82%0.01839%0.39CS..SBendtrans-66130.4177.4177.10000109.8L1120 C1124 Y1125 C1178 C1183L1120-V1180 HydrophobicContact CD1-CG1 4.43Å; L1120-V1180 HydrophobicContact CD2-CG1 3.75Å; L1120-V1180 HydrophobicContact CG-CG1 3.95Å; C1124-V1180 HydrophobicContact CB-CG2 4.21Å; Y1125-V1180 HydrophobicContact CE2-CG2 4.35Å; C1178-V1180 PolarHBondContact SG-N 3.5Å; V1180-C1183 HydrophobicContact CB-CB 4.24Å; V1180-C1183 WeakPolarHBondContact O-CB 3.23Å; V1180-C1183 PolarHBondContact O-N 2.76Å
1181P90.9Very high88.7Confident17 Ų1785 Ų8511%0.1142%0.42CS..THydrogen-bonded Turntrans-50.5144-179.6-28.534.8000113.5V1143 F1146 C1166 C1183V1143-P1181 HydrophobicContact CG1-CG 3.98Å; F1146-P1181 HydrophobicContact CD1-CB 3.68Å; F1146-P1181 HydrophobicContact CD1-CG 4.12Å; F1146-P1181 HydrophobicContact CE1-CB 3.64Å; C1166-P1181 WeakPolarHBondContact CB-O 3.37Å; C1166-P1181 PolarHBondContact SG-O 2.86Å; P1181-C1183 PolarHBondContact O-N 2.88Å
1182L91.2Very high88.8Confident45 Ų4584.4 Ų84.424%0.23642%0.419CS..THydrogen-bonded Turntrans58.4-15-179.7-58.5178.5000117.4F1146 Y1163 K1185 L1186F1146-L1182 HydrophobicContact CE1-CD1 4.04Å; F1146-L1182 HydrophobicContact CE1-CG 4.15Å; F1146-L1182 HydrophobicContact CZ-CD1 3.72Å; F1146-L1182 HydrophobicContact CZ-CG 4.32Å; Y1163-L1182 HydrophobicContact CD2-CD1 3.52Å; Y1163-L1182 HydrophobicContact CE2-CD1 3.74Å; L1182-K1185 HydrophobicContact CD2-CD 4.46Å; L1182-K1185 WeakPolarHBondContact O-CA 3.46Å; L1182-K1185 PolarHBondContact O-N 2.8Å; L1182-L1186 HydrophobicContact CB-CD1 3.66Å; L1182-L1186 HydrophobicContact CB-CG 4.07Å; L1182-L1186 WeakPolarHBondContact O-CG 3.38Å; L1182-L1186 PolarHBondContact O-N 3.05Å
1183C94Very high88.8Confident0 Ų085.5 Ų85.50%042%0.419CS..Hα-helixtrans-49.3-47-174.6178.20000113.4H1169 C1178 V1180 P1181 K1185 L1186 K1187H1169-C1183 VanDerWaalsContact CD2-SG 3.58Å; C1178-C1183 HydrophobicContact CB-CB 4.37Å; V1180-C1183 HydrophobicContact CB-CB 4.24Å; V1180-C1183 WeakPolarHBondContact O-CB 3.23Å; V1180-C1183 PolarHBondContact O-N 2.76Å; P1181-C1183 PolarHBondContact O-N 2.88Å; C1183-K1185 PolarHBondContact O-N 3.31Å; C1183-L1186 PolarHBondContact O-N 2.97Å; C1183-K1187 WeakPolarHBondContact O-CB 3.41Å; C1183-K1187 WeakPolarHBondContact O-CG 3.33Å; C1183-K1187 PolarHBondContact O-N 3.13Å
1184P90.3Very high88.3Confident70 Ų7089.7 Ų89.746%0.45544%0.437SS..Hα-helixtrans-61.9-40175-2435.2000114.1A1188P1184-A1188 WeakPolarHBondContact O-CB 3.37Å; P1184-A1188 PolarHBondContact O-N 2.6Å
1185K90.1Very high88Confident163 Ų16388.4 Ų88.471%0.70943%0.429SS*.Hα-helixtrans-69.3-38.6178-70.7-171.6175.7-175.60111.7L1182 C1183 A1188 K1189L1182-K1185 HydrophobicContact CD2-CD 4.46Å; L1182-K1185 WeakPolarHBondContact O-CA 3.46Å; L1182-K1185 PolarHBondContact O-N 2.8Å; C1183-K1185 PolarHBondContact O-N 3.31Å; K1185-A1188 PolarHBondContact O-N 2.92Å; K1185-K1189 WeakPolarHBondContact O-CB 3.47Å; K1185-K1189 PolarHBondContact O-N 3.24Å
1186L91.7Very high87.9Confident22 Ų2289.5 Ų89.512%0.11543%0.434CS..Hα-helixtrans-69.3-45.6178.1-69.3164000111.2C1166 S1170 L1182 C1183 A1188 K1189 M1190C1166-L1186 HydrophobicContact CB-CD1 4.16Å; S1170-L1186 WeakPolarHBondContact OG-CB 3.27Å; L1182-L1186 HydrophobicContact CB-CD1 3.66Å; L1182-L1186 HydrophobicContact CB-CG 4.07Å; L1182-L1186 WeakPolarHBondContact O-CG 3.38Å; L1182-L1186 PolarHBondContact O-N 3.05Å; C1183-L1186 PolarHBondContact O-N 2.97Å; L1186-A1188 VanDerWaalsContact C-N 3.34Å; L1186-A1188 PolarHBondContact O-N 2.73Å; L1186-K1189 PolarHBondContact O-N 2.86Å; L1186-M1190 WeakPolarHBondContact O-CG 3.23Å; L1186-M1190 PolarHBondContact O-N 2.9Å
1187K91Very high87.7Confident53 Ų5387.1 Ų87.123%0.2342%0.418CS..Hα-helixtrans-56.5-45.2170.7-77.4-173.8176.6-1690112.3C1173 E1175 C1183 M1190 K1191C1173-K1187 WeakPolarHBondContact O-CE 3.28Å; C1173-K1187 PolarHBondContact O-NZ 3.41Å; C1173-K1187 PolarHBondContact SG-NZ 2.91Å; C1173-K1187 VanDerWaalsContact SG-NZ 3.43Å; E1175-K1187 PolarHBondContact O-NZ 3.39Å; C1183-K1187 WeakPolarHBondContact O-CB 3.41Å; C1183-K1187 WeakPolarHBondContact O-CG 3.33Å; C1183-K1187 PolarHBondContact O-N 3.13Å; K1187-M1190 PolarHBondContact O-N 3.43Å; K1187-K1191 PolarHBondContact O-N 2.99Å
1188A88.1Confident87.3Confident57 Ų5785.9 Ų85.947%0.47141%0.408SS..Hα-helixtrans-62-45.9177.200000111.9P1184 K1185 L1186 M1190 K1191 Q1192P1184-A1188 WeakPolarHBondContact O-CB 3.37Å; P1184-A1188 PolarHBondContact O-N 2.6Å; K1185-A1188 PolarHBondContact O-N 2.92Å; L1186-A1188 VanDerWaalsContact C-N 3.34Å; L1186-A1188 PolarHBondContact O-N 2.73Å; A1188-M1190 PolarHBondContact O-N 2.97Å; A1188-K1191 PolarHBondContact O-N 3.13Å; A1188-Q1192 WeakPolarHBondContact O-CB 3.29Å; A1188-Q1192 PolarHBondContact O-N 2.98Å
1189K87.8Confident86.7Confident131 Ų13190.8 Ų90.857%0.5743%0.433SS*.Hα-helixtrans-60.2-44.5175.9-169.3176.4-178.6-178.50111.5K1185 L1186 Q1192 Q1193K1185-K1189 WeakPolarHBondContact O-CB 3.47Å; K1185-K1189 PolarHBondContact O-N 3.24Å; L1186-K1189 PolarHBondContact O-N 2.86Å; K1189-Q1192 PolarHBondContact O-N 2.79Å; K1189-Q1193 WeakPolarHBondContact O-CB 3.11Å; K1189-Q1193 PolarHBondContact O-N 3.04Å
1190M84.3Confident86Confident91 Ų9194.1 Ų94.145%0.44844%0.444SS..Hα-helixtrans-62.3-46174.8-75.1-132.868.400112.5K1171 L1186 K1187 A1188 Q1192 Q1193 Q1194K1171-M1190 HydrophobicContact CG-SD 4.44Å; L1186-M1190 WeakPolarHBondContact O-CG 3.23Å; L1186-M1190 PolarHBondContact O-N 2.9Å; K1187-M1190 PolarHBondContact O-N 3.43Å; A1188-M1190 PolarHBondContact O-N 2.97Å; M1190-Q1192 VanDerWaalsContact C-N 3.3Å; M1190-Q1192 PolarHBondContact O-N 3.34Å; M1190-Q1193 PolarHBondContact O-N 2.93Å; M1190-Q1194 WeakPolarHBondContact O-CB 3.4Å; M1190-Q1194 PolarHBondContact O-N 3.14Å
1191K86Confident84.8Confident163 Ų163100.3 Ų100.371%0.70947%0.472SS*.Hα-helixtrans-58.8-40.5174.6-101.4-176.3174.7178.10112.1K1187 A1188 K1195K1187-K1191 PolarHBondContact O-N 2.99Å; A1188-K1191 PolarHBondContact O-N 3.13Å; K1191-K1195 WeakPolarHBondContact O-CB 3.35Å; K1191-K1195 PolarHBondContact O-N 3.43Å
1192Q87.1Confident84.1Confident125 Ų125103.7 Ų103.758%0.58449%0.493SS*.Hα-helixtrans-67-42.9176.9-170.9174.59.500111.9A1188 K1189 M1190 K1195 Q1196A1188-Q1192 WeakPolarHBondContact O-CB 3.29Å; A1188-Q1192 PolarHBondContact O-N 2.98Å; K1189-Q1192 PolarHBondContact O-N 2.79Å; M1190-Q1192 VanDerWaalsContact C-N 3.3Å; M1190-Q1192 PolarHBondContact O-N 3.34Å; Q1192-K1195 PolarHBondContact O-N 3.18Å; Q1192-Q1196 WeakPolarHBondContact O-CG 3.43Å; Q1192-Q1196 PolarHBondContact O-N 3.22Å
1193Q81.8Confident83.4Confident104 Ų104107.9 Ų107.949%0.48651%0.511SS..Hα-helixtrans-65.5-40.9178-158.9170.617.500111.7K1189 M1190 Q1196 Q1197K1189-Q1193 WeakPolarHBondContact O-CB 3.11Å; K1189-Q1193 PolarHBondContact O-N 3.04Å; M1190-Q1193 PolarHBondContact O-N 2.93Å; Q1193-Q1196 PolarHBondContact O-N 3.33Å; Q1193-Q1197 PolarHBondContact O-N 3.23Å
1194Q78.5Confident82.2Confident106 Ų106113.2 Ų113.250%0.49554%0.537SS..Hα-helixtrans-67.3-36.8174.2-163-177.156.900111.9M1190 Q1197 R1198M1190-Q1194 WeakPolarHBondContact O-CB 3.4Å; M1190-Q1194 PolarHBondContact O-N 3.14Å; Q1194-Q1197 PolarHBondContact O-N 3.47Å; Q1194-R1198 PolarHBondContact O-N 3.35Å
1195K81.8Confident80.9Confident151 Ų151114.4 Ų114.466%0.65754%0.539SS*.Hα-helixtrans-65.7-37.8172.7-167.1174.1-176.9179.20111.9K1191 Q1192 L1199K1191-K1195 WeakPolarHBondContact O-CB 3.35Å; K1191-K1195 PolarHBondContact O-N 3.43Å; Q1192-K1195 PolarHBondContact O-N 3.18Å; K1195-L1199 WeakPolarHBondContact O-CB 3.43Å; K1195-L1199 PolarHBondContact O-N 3.22Å
1196Q83.3Confident80Confident118 Ų118115.9 Ų115.955%0.55154%0.541SS*.Hα-helixtrans-68-39.4172.1-75.2-178-11.200112.8Q1192 Q1193 L1199 K1200Q1192-Q1196 WeakPolarHBondContact O-CG 3.43Å; Q1192-Q1196 PolarHBondContact O-N 3.22Å; Q1193-Q1196 PolarHBondContact O-N 3.33Å; Q1196-L1199 PolarHBondContact O-N 3.47Å; Q1196-K1200 PolarHBondContact O-N 2.86Å
1197Q76.7Confident78.8Confident122 Ų122124.1 Ų124.157%0.5757%0.57SS**Hα-helixtrans-62.6-47.2173-81.6-178.8-30.300111.6Q1193 Q1194 L1199 K1200 Q1201Q1193-Q1197 PolarHBondContact O-N 3.23Å; Q1194-Q1197 PolarHBondContact O-N 3.47Å; Q1197-L1199 VanDerWaalsContact C-N 3.34Å; Q1197-L1199 PolarHBondContact O-N 3.21Å; Q1197-K1200 PolarHBondContact O-N 3.49Å; Q1197-Q1201 WeakPolarHBondContact O-CB 3.49Å; Q1197-Q1201 WeakPolarHBondContact O-CG 3.14Å; Q1197-Q1201 PolarHBondContact O-N 3.27Å
1198R79.1Confident77.2Confident163 Ų163127.4 Ų127.462%0.61558%0.581SS**Hα-helixtrans-58.4-44.3174.1-74.9-170.9-178.8-160.41.5111.5Q1194 K1200 Q1201 T1202Q1194-R1198 PolarHBondContact O-N 3.35Å; R1198-K1200 PolarHBondContact O-N 2.57Å; R1198-Q1201 PolarHBondContact O-N 3.14Å; R1198-T1202 WeakPolarHBondContact O-CB 3.27Å; R1198-T1202 PolarHBondContact O-N 3.38Å; R1198-T1202 PolarHBondContact O-OG1 3.1Å; R1198-T1202 VanDerWaalsContact O-OG1 3.07Å
1199L80.9Confident75.8Confident114 Ų114129.3 Ų129.360%0.59758%0.581SS**Hα-helixtrans-57.2-47.4174-92.6162.3000112.5K1195 Q1196 Q1197 Q1201 T1202 Q1203K1195-L1199 WeakPolarHBondContact O-CB 3.43Å; K1195-L1199 PolarHBondContact O-N 3.22Å; Q1196-L1199 PolarHBondContact O-N 3.47Å; Q1197-L1199 VanDerWaalsContact C-N 3.34Å; Q1197-L1199 PolarHBondContact O-N 3.21Å; L1199-Q1201 PolarHBondContact O-N 3.25Å; L1199-T1202 PolarHBondContact O-N 2.93Å; L1199-Q1203 VanDerWaalsContact O-CB 3.23Å; L1199-Q1203 WeakPolarHBondContact O-CB 3.46Å; L1199-Q1203 PolarHBondContact O-N 3.46Å
1200K77.1Confident74.2Confident159 Ų159125.7 Ų125.769%0.69158%0.576SS**Hα-helixtrans-62.7-40.2175.4-79.5-173.3174.3-177.70112.5Q1196 Q1197 R1198 Q1203 M1204Q1196-K1200 PolarHBondContact O-N 2.86Å; Q1197-K1200 PolarHBondContact O-N 3.49Å; R1198-K1200 PolarHBondContact O-N 2.57Å; K1200-Q1203 PolarHBondContact O-N 3.08Å; K1200-M1204 WeakPolarHBondContact O-CB 3.47Å; K1200-M1204 PolarHBondContact O-N 2.83Å
1201Q69.3Low72.7Confident133 Ų133125.8 Ų125.862%0.62158%0.581SS**Hα-helixtrans-65.6-49.3176.3-76.6175.9-29.900111.7Q1197 R1198 L1199 Q1203 M1204 L1205Q1197-Q1201 WeakPolarHBondContact O-CB 3.49Å; Q1197-Q1201 WeakPolarHBondContact O-CG 3.14Å; Q1197-Q1201 PolarHBondContact O-N 3.27Å; R1198-Q1201 PolarHBondContact O-N 3.14Å; L1199-Q1201 PolarHBondContact O-N 3.25Å; Q1201-Q1203 VanDerWaalsContact C-N 3.29Å; Q1201-Q1203 PolarHBondContact O-N 3.42Å; Q1201-M1204 PolarHBondContact O-N 3.25Å; Q1201-L1205 WeakPolarHBondContact O-CB 3.19Å; Q1201-L1205 PolarHBondContact O-N 2.87Å
1202T75.5Confident70.7Confident87 Ų87123.4 Ų123.453%0.53457%0.574SS.*Hα-helixtrans-61-37.6175.9-57.10000111.7R1198 L1199 L1205 R1206R1198-T1202 WeakPolarHBondContact O-CB 3.27Å; R1198-T1202 PolarHBondContact O-N 3.38Å; R1198-T1202 PolarHBondContact O-OG1 3.1Å; R1198-T1202 VanDerWaalsContact O-OG1 3.07Å; L1199-T1202 PolarHBondContact O-N 2.93Å; T1202-L1205 PolarHBondContact O-N 3.39Å; T1202-R1206 WeakPolarHBondContact O-CB 3.42Å; T1202-R1206 PolarHBondContact O-N 3.43Å
1203Q76.3Confident68.8Low133 Ų133124.4 Ų124.462%0.62158%0.579SS**Hα-helixtrans-71.1-36.5176.7-163.9176.44600112.3L1199 K1200 Q1201 R1207L1199-Q1203 VanDerWaalsContact O-CB 3.23Å; L1199-Q1203 WeakPolarHBondContact O-CB 3.46Å; L1199-Q1203 PolarHBondContact O-N 3.46Å; K1200-Q1203 PolarHBondContact O-N 3.08Å; Q1201-Q1203 VanDerWaalsContact C-N 3.29Å; Q1201-Q1203 PolarHBondContact O-N 3.42Å; Q1203-R1207 PolarHBondContact O-N 2.8Å
1204M69.8Low67Low112 Ų112129.8 Ų129.855%0.55260%0.595SS**Hα-helixtrans-68.3-38.9171.2-171.4-176.6-65.800111.8K1200 Q1201 R1207 R1208K1200-M1204 WeakPolarHBondContact O-CB 3.47Å; K1200-M1204 PolarHBondContact O-N 2.83Å; Q1201-M1204 PolarHBondContact O-N 3.25Å; M1204-R1207 WeakPolarHBondContact O-CB 3.34Å; M1204-R1207 PolarHBondContact O-N 3.3Å; M1204-R1208 PolarHBondContact O-N 3.16Å
1205L63.2Low64.9Low95 Ų95128.9 Ų128.950%0.49760%0.599SS.*Hα-helixtrans-67.8-42.8177-171.366000111.2Q1201 T1202 R1207 R1208 M1209Q1201-L1205 WeakPolarHBondContact O-CB 3.19Å; Q1201-L1205 PolarHBondContact O-N 2.87Å; T1202-L1205 PolarHBondContact O-N 3.39Å; L1205-R1207 VanDerWaalsContact C-N 3.3Å; L1205-R1207 PolarHBondContact O-N 3.48Å; L1205-R1208 PolarHBondContact O-N 3.17Å; L1205-M1209 HydrophobicContact CG-SD 4.36Å; L1205-M1209 WeakPolarHBondContact O-CB 3.47Å; L1205-M1209 WeakPolarHBondContact O-CG 3.34Å; L1205-M1209 PolarHBondContact O-N 3.07Å
1206R70.3Confident62.5Low195 Ų195127.7 Ų127.774%0.73660%0.6SS**Hα-helixtrans-57.5-41.5169.7-101.1-172.4173-178.4-1.5111.9T1202 M1209 A1210T1202-R1206 WeakPolarHBondContact O-CB 3.42Å; T1202-R1206 PolarHBondContact O-N 3.43Å; R1206-M1209 PolarHBondContact O-N 3.38Å; R1206-A1210 VanDerWaalsContact O-CB 3.31Å; R1206-A1210 WeakPolarHBondContact O-CB 3.16Å; R1206-A1210 PolarHBondContact O-N 2.95Å
1207R67Low60.2Low194 Ų194125.8 Ų125.873%0.73260%0.6SS**Hα-helixtrans-61.5-48173.1-80.9-177.7168.7-175.3-3.9111.6Q1203 M1204 L1205 M1209 A1210 T1211Q1203-R1207 PolarHBondContact O-N 2.8Å; M1204-R1207 WeakPolarHBondContact O-CB 3.34Å; M1204-R1207 PolarHBondContact O-N 3.3Å; L1205-R1207 VanDerWaalsContact C-N 3.3Å; L1205-R1207 PolarHBondContact O-N 3.48Å; R1207-M1209 PolarHBondContact O-N 3.34Å; R1207-A1210 PolarHBondContact O-N 3.39Å; R1207-T1211 PolarHBondContact O-N 3.23Å; R1207-T1211 PolarHBondContact O-OG1 3.09Å; R1207-T1211 VanDerWaalsContact O-OG1 3.05Å
1208R56.8Low58Low123 Ų123127.9 Ų127.946%0.46461%0.612SS.*Hα-helixtrans-60.4-43.1176.5-71.7-175.3-174-151.3-1.7112.8Q17 M1204 L1205 T1211 M1212Q17-R1208 VanDerWaalsContact OE1-CZ 3.28Å; M1204-R1208 PolarHBondContact O-N 3.16Å; L1205-R1208 PolarHBondContact O-N 3.17Å; R1208-T1211 PolarHBondContact O-N 3.35Å; R1208-M1212 PolarHBondContact O-N 2.91Å
1209M59.6Low56.2Low97 Ų97126.2 Ų126.248%0.47862%0.62SS.*Hα-helixtrans-65.8-42.6177.3-75.9178.3157.600111.9L1205 R1206 R1207 T1211 M1212 Q1213L1205-M1209 HydrophobicContact CG-SD 4.36Å; L1205-M1209 WeakPolarHBondContact O-CB 3.47Å; L1205-M1209 WeakPolarHBondContact O-CG 3.34Å; L1205-M1209 PolarHBondContact O-N 3.07Å; R1206-M1209 PolarHBondContact O-N 3.38Å; R1207-M1209 PolarHBondContact O-N 3.34Å; M1209-T1211 VanDerWaalsContact C-N 3.28Å; M1209-T1211 PolarHBondContact O-N 2.87Å; M1209-M1212 PolarHBondContact O-N 2.84Å; M1209-Q1213 WeakPolarHBondContact O-CB 3.39Å; M1209-Q1213 WeakPolarHBondContact O-CG 3.38Å; M1209-Q1213 PolarHBondContact O-N 3.14Å
1210A54.4Low53.9Low55 Ų55126.6 Ų126.646%0.45563%0.629SS.*Hα-helixtrans-64.1-31.7173.900000112.8R1206 R1207 R1214R1206-A1210 VanDerWaalsContact O-CB 3.31Å; R1206-A1210 WeakPolarHBondContact O-CB 3.16Å; R1206-A1210 PolarHBondContact O-N 2.95Å; R1207-A1210 PolarHBondContact O-N 3.39Å; A1210-R1214 PolarHBondContact O-N 3.14Å
1211T51.2Low51.7Low92 Ų92126.2 Ų126.256%0.56463%0.634SS**Hα-helixtrans-69.4-48.7170.5-54.80000111.5R1207 R1208 M1209 Q1213 R1214 C1215R1207-T1211 PolarHBondContact O-N 3.23Å; R1207-T1211 PolarHBondContact O-OG1 3.09Å; R1207-T1211 VanDerWaalsContact O-OG1 3.05Å; R1208-T1211 PolarHBondContact O-N 3.35Å; M1209-T1211 VanDerWaalsContact C-N 3.28Å; M1209-T1211 PolarHBondContact O-N 2.87Å; T1211-Q1213 PolarHBondContact O-N 3.17Å; T1211-R1214 PolarHBondContact O-N 3.1Å; T1211-R1214 VanDerWaalsContact O-N 3.13Å; T1211-C1215 PolarHBondContact O-N 3.46Å; T1211-C1215 PolarHBondContact O-SG 2.8Å
1212M44Very low50Low114 Ų114128.1 Ų128.156%0.56264%0.643SS**Hα-helixtrans-64.7-36.2178.2-73.8-165.2-62.300113R1208 M1209 R1214 C1215 N1216R1208-M1212 PolarHBondContact O-N 2.91Å; M1209-M1212 PolarHBondContact O-N 2.84Å; M1212-R1214 PolarHBondContact O-N 2.66Å; M1212-C1215 PolarHBondContact O-N 3.11Å; M1212-N1216 PolarHBondContact O-N 2.72Å
1213Q48.5Very low47.7Very low145 Ų145133 Ų13368%0.67866%0.66SS**Hα-helixtrans-66.8-22.1175.4-74.9175.5-37.600112.8M1209 T1211 S1217M1209-Q1213 WeakPolarHBondContact O-CB 3.39Å; M1209-Q1213 WeakPolarHBondContact O-CG 3.38Å; M1209-Q1213 PolarHBondContact O-N 3.14Å; T1211-Q1213 PolarHBondContact O-N 3.17Å; Q1213-S1217 PolarHBondContact O-OG 2.93Å
1214R43.9Very low45.9Very low218 Ų218131.3 Ų131.382%0.82366%0.66SS**Hα-helixtrans-81.9-14.4167.8-83.6-172.2169.6-165.6-3.9114.4A1210 T1211 M1212A1210-R1214 PolarHBondContact O-N 3.14Å; T1211-R1214 PolarHBondContact O-N 3.1Å; T1211-R1214 VanDerWaalsContact O-N 3.13Å; M1212-R1214 PolarHBondContact O-N 2.66Å
1215C35.1Very low44.5Very low87 Ų87132 Ų13259%0.58867%0.671SS**Hα-helixtrans-96.7-32.2175.5-61.30000112.4T1211 M1212T1211-C1215 PolarHBondContact O-N 3.46Å; T1211-C1215 PolarHBondContact O-SG 2.8Å; M1212-C1215 PolarHBondContact O-N 3.11Å
1216N30.8Very low43.4Very low125 Ų125133.1 Ų133.167%0.66868%0.684SS**SBendtrans-90.5-1.6-177.8-72.429.6000113.7M1212 M1218M1212-N1216 PolarHBondContact O-N 2.72Å; N1216-M1218 PolarHBondContact O-N 3.04Å
1217S34.5Very low42.4Very low79 Ų79129.4 Ų129.455%0.55269%0.685SS**  trans-79.250.8171.360.90000111.9Q1213Q1213-S1217 PolarHBondContact O-OG 2.93Å
1218M31.4Very low41.6Very low166 Ų166125.5 Ų125.582%0.81869%0.685SS**  trans-141.371.5176.5-83.2-68.2144.300109.2N1216N1216-M1218 PolarHBondContact O-N 3.04Å
1219T40.7Very low40.3Very low127 Ų127125 Ų12578%0.77970%0.7SS**  trans-133.4121.5170.847.90000110.2
1220P32.3Very low39.3Very low122 Ų122128.9 Ų128.979%0.79272%0.717SS**  -124.1161.812635.6-28.4000109.7
1221N30.3Very low38.1Very low151 Ų151132.9 Ų132.981%0.80773%0.731SS**  cis-154178.938.1-157.14.8000114.2
1222H34.8Very low37.2Very low174 Ų174137.5 Ų137.581%0.80674%0.739SS**  trans-79.1172.7-178.1-85.6-95.1000116.2
1223Q27.4Very low36.6Very low189 Ų189138.8 Ų138.888%0.88374%0.744SS**SBendtrans-54.7164.7159-92.5178.8-35.100113.6
1224P38.9Very low35.8Very low98 Ų98139.7 Ų139.764%0.63675%0.748SS**  -122150.2-117.142.8-36.4000117.6
1225T40.1Very low35Very low127 Ų127134.6 Ų134.678%0.77975%0.745SS**  trans55.3141.3136.359.80000120.5
1226P39.8Very low34.7Very low118 Ų118135.1 Ų135.177%0.76675%0.75SS**  -141.9-157.360.346.7-26.6000113.8
1227P48.3Very low34.8Very low117 Ų117138.1 Ų138.176%0.7676%0.76SS**  -130.9-156.2-110.537.9-13.2000113.6
1228P50.9Low34.6Very low112 Ų112139.5 Ų139.573%0.72777%0.769SS**  -127.4161.1-79.339.7-25.5000114.7
1229S30.4Very low34.6Very low112 Ų112135.9 Ų135.978%0.78376%0.76SS**  trans176.3138.8143.2-86.40000116.9
1230Q36.6Very low34.3Very low179 Ų179136.2 Ų136.284%0.83676%0.762SS**  trans52101.1142.4-58-175.5100124.2
1231N30.8Very low34.3Very low139 Ų139135.6 Ų135.674%0.74376%0.761SS**  60.8136.1119.3-92.70.8000127.1
1232Y30.9Very low34.5Very low189 Ų189136 Ų13674%0.74176%0.763SS**  trans87.2106.8148.1-72.9-61.3000125.5
1233Q31.4Very low34.1Very low140 Ų140132.6 Ų132.665%0.65476%0.758SS**  66.9120.4129.5-86.9175.3-58.200126.9
1234Q31.8Very low34.1Very low165 Ų165130.9 Ų130.977%0.77175%0.753SS**  59.9152.7127.1-73.3176.5-30.300122.3
1235C28.6Very low33.8Very low111 Ų111131.6 Ų131.675%0.7576%0.76SS**  cis-172.4175-18.2-167.30000111.6
1236S29Very low33.5Very low98 Ų98131.1 Ų131.169%0.68576%0.762SS**  trans80.1153.5162.980.70000119.3
1237Q31.5Very low33.4Very low188 Ų188131.7 Ų131.788%0.87977%0.766SS**  cis-156.2-176.7-2.3-128.216671.500112.3
1238S30.2Very low32.6Very low107 Ų107134.2 Ų134.275%0.74877%0.77SS**  trans-147.6-175.2-169.158.60000113.6
1239S32.5Very low31.6Very low90 Ų90134.8 Ų134.863%0.62978%0.776SS**  cis-171.9171.130-24.60000114.9
1240T32.8Very low31.7Very low134 Ų134135.7 Ų135.782%0.82278%0.776SS**  trans65.9167.3150.850.10000121.9
1241S33.8Very low32Very low110 Ų110132 Ų13277%0.76977%0.768SS**  cis177.6145.7-40.6-82.90000112.3
1242D33.6Very low32Very low160 Ų160132.9 Ų132.986%0.85677%0.77SS**  trans-155.6-170165.2-139.6-29.2000114.7
1243C27.9Very low32.2Very low102 Ų102131.6 Ų131.669%0.68977%0.771SS**  trans-138.1-171.5-151.266.50000122.2
1244I26.9Very low32.1Very low152 Ų152130.8 Ų130.878%0.77978%0.78SS**  trans87.1122.4167.7-31.5-178.8000121.6
1245S31.2Very low32.4Very low113 Ų113127 Ų12779%0.7977%0.772SS**  trans134145.3139-60.30000118.2
1246S34Very low33.3Very low118 Ų118127.5 Ų127.583%0.82577%0.774SS**  trans-130.9177.4174.5-47.80000109.9
1247P39.2Very low33.4Very low130 Ų130131.5 Ų131.584%0.84478%0.779SS**  -155.9-162.278.442-19.3000115.9
1248M31.2Very low33.4Very low170 Ų170126.5 Ų126.584%0.83777%0.77SS**  trans-97.9159.8-177.1-58.8172.162.500114.3
1249S29.7Very low33.5Very low123 Ų123126 Ų12686%0.8677%0.766SS**  trans-168.7158.9148.7-86.20000114.4
1250V31.3Very low33.5Very low131 Ų131128.1 Ų128.179%0.79478%0.776SS**  trans-163.2169.6179.8-1180000107.7
1251P43.3Very low33.4Very low103 Ų103125.8 Ų125.867%0.66977%0.77SS**  cis-139.7168.9-10.740.5-22.9000116.7
1252M32.2Very low33.4Very low156 Ų156126.9 Ų126.977%0.76877%0.772SS**  trans64.4157.8151.5-58.1-102.493.300118.4
1253Q34.7Very low33.4Very low163 Ų163124.6 Ų124.676%0.76276%0.764SS**  cis-158.9159.1-9.8-131.6176.82100110.3
1254S29.7Very low33.6Very low122 Ų122125.5 Ų125.585%0.85377%0.766SS**  trans-165.6163.7147.250.90000112.5
1255S37Very low33.8Very low85 Ų85124.5 Ų124.559%0.59477%0.767SS**  trans-151.8-175.6-178.460.50000109.5
1256P46.8Very low33.7Very low122 Ų122123.3 Ų123.379%0.79276%0.758SS**  trans-112.7121.814332-23.6000109.8
1257F31.5Very low33.4Very low183 Ų183127.6 Ų127.680%0.80376%0.758SS**  67.5134.162.3-76.1-77.6000113.3
1258A32.3Very low32.7Very low83 Ų83128 Ų12869%0.68675%0.753SS**  cis-136.7176.512.200000111.3
1259S31.8Very low32.6Very low95 Ų95127 Ų12766%0.66475%0.75SS**  cis-151.7147.421-61.60000114
1260T32.4Very low32.6Very low136 Ų136127.5 Ų127.583%0.83475%0.748SS**  trans57.8149.2150.951.40000121.4
1261A30.4Very low32.4Very low84 Ų84126.5 Ų126.569%0.69475%0.747SS**  cis-173.8151.2-24.200000111
1262V33.9Very low31.9Very low133 Ų133126.9 Ų126.981%0.80675%0.75SS**  trans64.395.7149.4176.70000120.3
1263T34.4Very low31.8Very low113 Ų113128.9 Ų128.969%0.69376%0.757SS**  81.7106.3119.8-48.90000123.2
1264T32.3Very low31.8Very low121 Ų121126.4 Ų126.474%0.74276%0.758SS**  trans79.2112.8143.955.50000125.6
1265V31.1Very low31.9Very low130 Ų130132.1 Ų132.179%0.78876%0.761SS**  91.2124.6122.4173.60000122
1266S28.3Very low31.6Very low88 Ų88133.1 Ų133.162%0.61577%0.768SS**  trans78.8101.7153.7-73.30000123.3
1267Y27.2Very low31Very low208 Ų208135.5 Ų135.582%0.81677%0.768SS**  trans53.8124.4133.9-54.5-69.1000123.9
1268N26.2Very low31Very low139 Ų139131.8 Ų131.874%0.74377%0.765SS**  trans76100.6143.7-68.3-0.7000121.8
1269L29.1Very low31Very low149 Ų149132.6 Ų132.678%0.7877%0.765SS**  68.1133.3123.6-88.7156.5000121.8
1270T28.4Very low31Very low133 Ų133134.8 Ų134.882%0.81677%0.768SS**  trans79147.3159.363.70000120.6
1271S27.1Very low30.9Very low110 Ų110136.2 Ų136.277%0.76977%0.765SS**  trans24.3128.3164.2-115.70000121.8
1272P32.6Very low30.9Very low112 Ų112137.3 Ų137.373%0.72777%0.768SS**  trans-90.4146.1177.636.6-33.7000113.5
1273H30.5Very low31.1Very low197 Ų197136 Ų13691%0.91276%0.763SS**  trans-147.1156.2155.5-88.3-58.2000111.6
1274S33.8Very low30.9Very low112 Ų112138.5 Ų138.578%0.78377%0.766SS**  trans-101.3152.1-16750.90000114.2
1275R33.8Very low30.8Very low242 Ų242140.7 Ų140.791%0.91377%0.768SS**  trans-54.7154.8155.6-89.9176.7166.9-176.6-3.9110
1276S30.6Very low30.6Very low106 Ų106140.3 Ų140.374%0.74177%0.771SS**  cis-133.8165.547.651.10000113.6
1277Q33.6Very low31.2Very low171 Ų171141.4 Ų141.480%0.79978%0.776SS**  cis-156.9161.22.3-130.5168.510.900108.9
1278S32.2Very low31.2Very low105 Ų105140.9 Ų140.973%0.73478%0.778SS**  trans31.2143.715650.70000123.4
1279S31.7Very low31.2Very low100 Ų100142.9 Ų142.970%0.69978%0.781SS**  cis177.2170.7-12.849.90000111.2
1280I31.9Very low31.3Very low141 Ų141144 Ų14472%0.72378%0.782SS**  trans92.6104.4157.5-63.3167.8000120.3
1281Q30.7Very low32.3Very low166 Ų166143 Ų14378%0.77678%0.778SS**  trans58.4110.9133.6-61176.9-15.600125.7
1282S29.1Very low32.5Very low108 Ų108143.7 Ų143.776%0.75578%0.779SS**  68167.1122.478.60000122.2
1283P38.7Very low32.8Very low106 Ų106144.3 Ų144.369%0.68879%0.785SS**  cis-135.9172.9-33.430.8-10000116.4
1284Q30.2Very low33Very low164 Ų164139.8 Ų139.877%0.76677%0.773SS**  trans57.5113.9146.1-75.4178.9-20.300124.8
1285Q29.2Very low32.9Very low167 Ų167139.7 Ų139.778%0.7877%0.772SS**  75140.2126-64.9-172.510.700124.5
1286S28Very low32.7Very low122 Ų122132.3 Ų132.385%0.85376%0.758SS**  trans84.4150161.777.90000119.2
1287P40.2Very low32.8Very low111 Ų111138 Ų13872%0.72177%0.765SS**  trans-120.2163.8-16341.8-29.7000115.4
1288F26.6Very low32.9Very low197 Ų197136.6 Ų136.686%0.86476%0.758SS**  trans-167.5-165.9139.9-114.5-77000112.1
1289F26.5Very low32.9Very low181 Ų181138.7 Ų138.779%0.79476%0.761SS**  trans-76.6168.1-156.5-93.7-131.6000118.8
1290H31.3Very low32.9Very low174 Ų174137.9 Ų137.981%0.80676%0.755SS**  trans-52.7176.3166.2-56.1-84.4000115.7
1291P49.9Very low32.9Very low112 Ų112139.1 Ų139.173%0.72776%0.758SS**  cis-128.7-167.1-49.638.1-21.5000110.2
1292P30.7Very low33Very low123 Ų123138.5 Ų138.580%0.79976%0.755SS**  -152.1173.1121.238.2-22000116
1293C40.1Very low33.2Very low125 Ų125139.4 Ų139.485%0.84576%0.756SS**  trans-156.6120160-1770000112.1
1294P34.7Very low32.8Very low103 Ų103140.4 Ų140.467%0.66976%0.76SS**  trans-126.3143.5150.211.511.3000110.5
1295S31Very low32.8Very low109 Ų109140.5 Ų140.576%0.76276%0.76SS**  64.6143.156.696.20000112.5
1296S30.5Very low32.8Very low87 Ų87137 Ų13761%0.60875%0.754SS**  cis-172.9177.225.255.50000110.7
1297Y33.1Very low32.8Very low226 Ų226136.6 Ų136.689%0.88675%0.751SS**  trans-161.3155.9143.9-104.4-70000111.6
1298Q35.2Very low32.4Very low142 Ų142141.7 Ų141.766%0.66476%0.762SS**  -159.5138.7-72.2-167.2173.932.200111
1299N30.9Very low32.5Very low149 Ų149136.5 Ų136.580%0.79776%0.756SS**  trans169.7146.5138.9-94.7-21.4000111.2
1300S32.5Very low32.7Very low83 Ų83139 Ų13958%0.5876%0.762SS**  cis-163.2144.1-4.643.20000112.5
1301Q32.8Very low32.7Very low166 Ų166137 Ų13778%0.77676%0.761SS**  trans69.2142.3157.6-64.7167.912.200117.9
1302Q31.3Very low31.8Very low153 Ų153137.4 Ų137.472%0.71577%0.766SS**  cis-162.7131.4-10.6-125.3168.81.900112.1
1303T33.4Very low31.9Very low127 Ų127136.9 Ų136.978%0.77977%0.766SS**  trans51.9155.6143.256.60000121.6
1304V30.9Very low31.6Very low127 Ų127136.6 Ų136.677%0.7776%0.762SS**  cis-141.216318.2-173.50000111.5
1305H30.8Very low31.5Very low167 Ų167136.5 Ų136.577%0.77376%0.764SS**  trans-54.3-178.2168.7-61.3-72.9000117.8
1306S28.2Very low31.2Very low93 Ų93139.1 Ų139.165%0.6577%0.768SS**  cis175.9157.4-39.1-73.70000109.3
1307S28.1Very low31.4Very low114 Ų114140.5 Ų140.580%0.79778%0.775SS**  trans67.4113.5151.6-55.10000121.7
1308K31.6Very low31.1Very low218 Ų218141.1 Ų141.195%0.94878%0.776SS**  -166.3162.6107-105.7171.9-177.21770111.3
1309A28.5Very low31.4Very low88 Ų88139.2 Ų139.273%0.72778%0.778SS**  trans-118.7159.9-171.300000112.4
1310Y30.9Very low31.5Very low234 Ų234137.4 Ų137.492%0.91877%0.774SS**  trans-162.3156.4130.4-113.3-76000110.1
1311V31.8Very low31.1Very low131 Ų131138.3 Ų138.379%0.79478%0.78SS**  trans-122126.1178174.90000109.3
1312S30.5Very low31Very low120 Ų120138 Ų13884%0.83978%0.783SS**  trans-157.6133.2161.6-83.50000110.9
1313S33Very low30.9Very low112 Ų112135.8 Ų135.878%0.78378%0.784SS**  trans-80.6173.1155.4-53.10000109
1314P35Very low30.7Very low119 Ų119133.9 Ų133.977%0.77378%0.781SS**  cis-137-136.914.843.4-22.5000112.8
1315S30.9Very low30.6Very low102 Ų102136.3 Ų136.371%0.71379%0.786SS**  trans86.2105.5-175.4-39.80000112.5
1316I25.5Very low30.8Very low163 Ų163133.1 Ų133.184%0.83678%0.781SS**  76.7124.770.8-69.2177.5000111.4
1317P33.9Very low30.7Very low116 Ų116134.5 Ų134.575%0.75379%0.785SS**  trans-96.6157.3-155.737.9-36.7000113.9
1318R27Very low30.5Very low240 Ų240134 Ų13491%0.90678%0.781SS**  trans-153.5105.7156.6-109.1168.8-170.9-151.70.4111.8
1319S42.9Very low30.4Very low101 Ų101130 Ų13071%0.70678%0.775SS**  trans-67.9133.513749.80000108.8
1320P31.4Very low30.2Very low112 Ų112131.4 Ų131.473%0.72778%0.778SS**  trans-74127.5144-8.627.5000107.2
1321S24.2Very low30Very low101 Ų101125.2 Ų125.271%0.70677%0.765SS**  77.1156.355.4-61.70000112.8
1322I31.2Very low29.8Very low160 Ų160126.7 Ų126.782%0.82176%0.763SS**  trans78.1128.9174.7-50.5169.2000113.2
1323S30Very low29.7Very low106 Ų106127.6 Ų127.674%0.74176%0.758SS**  cis-165.4166.7-20.3-103.30000110.5
1324A28.9Very low29.2Very low88 Ų88129.8 Ų129.873%0.72776%0.76SS**  trans70145.216500000116.7
1325M27.6Very low29.2Very low178 Ų178129.6 Ų129.688%0.87776%0.759SS**  cis76.7156.516.7-53.1-154.5139.700116.3
1326P35Very low29Very low100 Ų100131.4 Ų131.465%0.64976%0.756SS**  -134.7-157.6-65.638.2-20000110.7
1327V27.9Very low29.2Very low121 Ų121127.9 Ų127.973%0.73375%0.746SS**  trans60.9148.5164.1-69.30000116.7
1328S23.9Very low29Very low103 Ų103129.4 Ų129.472%0.7275%0.754SS**  cis71.3142.546-43.70000113.9
1329T27.5Very low29.1Very low136 Ų136121.2 Ų121.283%0.83474%0.744SS**  trans58.4105.5-172.636.20000114.8
1330C24.9Very low28.5Very low116 Ų116122.5 Ų122.578%0.78475%0.747SS**  85.1148.858.2-166.80000113
1331V26.7Very low28.6Very low105 Ų105124.8 Ų124.864%0.63675%0.748SS**  trans80.9107.9172.9-168.10000116.9
1332Q27.2Very low28.9Very low162 Ų162126 Ų12676%0.75775%0.747SS**  trans69.3150.2151.8-67.3168.214.300118.2
1333N28.1Very low28.7Very low139 Ų139125.4 Ų125.474%0.74374%0.74SS**  cis-153164.7-2.3-124.5-16.6000113.7
1334L24.2Very low29.4Very low157 Ų157126.4 Ų126.482%0.82275%0.745SS**  trans-75171.7159.8-127.363.6000109.4
1335P34.1Very low29.5Very low116 Ų116125.8 Ų125.875%0.75374%0.739SS**  cis-139.1-130.98.143.1-20.8000114.8
1336Q27.6Very low29.6Very low139 Ų139123.3 Ų123.365%0.6573%0.734SS**  trans-106161-160.9-59160.3-56.500114.7
1337S29.8Very low29.3Very low89 Ų89124.7 Ų124.762%0.62274%0.741SS**  trans62.7126.4139.762.10000123.2
1338T28.6Very low29.4Very low149 Ų149125.6 Ų125.691%0.91474%0.741SS**  trans-165.7135.6136.113.30000106.1
1339G30.4Very low29.5Very low67 Ų67128.3 Ų128.369%0.69174%0.742SS**  107.6154.27700000109.3
1340T29.8Very low29.5Very low128 Ų128127 Ų12779%0.78574%0.738SS**  cis-169.6179.3-8.6-2.90000110
1341H33Very low29.6Very low160 Ų160128 Ų12874%0.74174%0.736SS**  trans85.2148.8173.8-59-78.4000118.9
1342N30.4Very low29.7Very low128 Ų128129.8 Ų129.868%0.68474%0.737SS**  cis-166.1136.1-33.8-103.12.5000106.9
1343Q26.9Very low29.7Very low146 Ų146128.5 Ų128.568%0.68274%0.735SS**  61.4127.469.7-78-79.6-0.400113.3
1344P44.9Very low29.8Very low128 Ų128128.3 Ų128.383%0.83173%0.732SS**  -134.3172.966.538.1-23.9000115.3
1345A30.7Very low29.9Very low74 Ų74127.8 Ų127.861%0.61273%0.731SS**  cis-174.9-179.6-23.100000107.5
1346V30.1Very low29.5Very low126 Ų126127.4 Ų127.476%0.76473%0.726SS**  cis-119.7-104.53.7-168.90000110.8
1347T28.6Very low29.6Very low130 Ų130128.4 Ų128.480%0.79873%0.73SS**  cis-151.2-178.9-0.7-41.10000109.8
1348L30.1Very low29.4Very low139 Ų139129 Ų12973%0.72873%0.731SS**  trans-92.4138.6-161.5-71167.7000117.7
1349E25.4Very low29.3Very low160 Ų160128.4 Ų128.475%0.74872%0.722SS**  trans82.4105.5130-69.8175.6158.400124.6
1350S27.6Very low29.2Very low109 Ų109131.9 Ų131.976%0.76272%0.723SS**  78.5102.5110.4-54.90000123.6
1351D28.1Very low29Very low137 Ų137130.6 Ų130.673%0.73372%0.719SS**  81.9134.8116.7-12934.4000124.3
1352Q27.5Very low28.6Very low142 Ų142133.8 Ų133.866%0.66473%0.725SS**  108.5136.5128.9-116.9178.584.900124.4
1353L27.9Very low28.5Very low136 Ų136134 Ų13471%0.71273%0.731SS**  trans73.7147.7157-52-179.7000118.7
1354I29.2Very low28.5Very low134 Ų134130.3 Ų130.369%0.68773%0.732SS**  cis-158.9165.9-2-129.5167.8000114.9
1355N27.7Very low27.6Very low147 Ų147135.9 Ų135.979%0.78674%0.738SS**  trans86.2125.1159.7-85.1-2.3000124.5
1356T25.8Very low27.3Very low107 Ų107136.5 Ų136.566%0.65674%0.743SS**  trans-86.9-177.5158.344.90000110.3
1357H29Very low27.1Very low160 Ų160139.4 Ų139.474%0.74175%0.746SS**  cis-134.9161.721.8-92.4-110.1000109.9
1358V26.3Very low26.9Very low103 Ų103140.3 Ų140.362%0.62474%0.741SS**  cis92.5137.632172.80000114.3
1359D26Very low26.6Very low136 Ų136137.5 Ų137.573%0.72773%0.733SS**  trans77145.9170.2-70.8-16000120.5
1360I27.6Very low26.7Very low139 Ų139137.9 Ų137.971%0.71374%0.735SS**  cis-162.4154.3-18.6-127.9169000113.5
1361S25.6Very low26.6Very low102 Ų102136.5 Ų136.571%0.71373%0.725SS**  trans55.3127.1153.9-67.60000127.7
1362R26Very low26.6Very low227 Ų227137.2 Ų137.286%0.85772%0.722SS**  trans56.4111130.7-82.7-171.1173.5-169-1.3125.2
1363T27.7Very low26.6Very low132 Ų132139.4 Ų139.481%0.8173%0.725SS**  42.7124.9122.961.30000123.1
1364G26.1Very low26.6Very low69 Ų69137 Ų13771%0.71172%0.72SS**  trans166105.6149.700000119.1
1365Y26.5Very low26.5Very low245 Ų245136.1 Ų136.196%0.96173%0.725SS**  trans50.9160.9152.3-72.2-81.4000122.9
1366A25.5Very low26.4Very low87 Ų87134 Ų13472%0.71972%0.722SS**  trans-102.3169.1-171.300000113.2
1367F24.7Very low26.2Very low187 Ų187134.2 Ų134.282%0.8273%0.727SS**  -161.6166.3124.6-126.8-112.7000114.9
1368Q24.9Very low26.1Very low149 Ų149133 Ų13370%0.69673%0.731SS**  trans-51.7174.3170.6-74175.3-3.900116.3
1369S24.4Very low26.1Very low79 Ų79136.7 Ų136.755%0.55274%0.741SS**  cis179.4-171.1-19.161.50000110.1
1370Q26.6Very low26.5Very low169 Ų169134.8 Ų134.879%0.7974%0.736SS**  trans77.2155.3149.1-83.5-178.968.500118.9
1371S26.7Very low26.4Very low79 Ų79133.8 Ų133.855%0.55274%0.737SS**  cis-168.4-178.5-5.747.20000113.7
1372K27.9Very low26.5Very low152 Ų152134.5 Ų134.566%0.66174%0.737SS**  trans87.5148.1158.7-63.3171.6176.9-161.70115.6
1373Y27.4Very low26.4Very low189 Ų189127.7 Ų127.774%0.74172%0.724SS**  cis-152167-4.5-93.8-32.4000107.1
1374S27.1Very low26.4Very low86 Ų86130.3 Ų130.360%0.60173%0.725SS**  cis-177.3149.1-2655.60000110.5
1375S26.7Very low26.2Very low114 Ų114131.7 Ų131.780%0.79772%0.723SS**  trans69.2157.2156.2-54.90000118.7
1376S25.5Very low26.4Very low104 Ų104124.9 Ų124.973%0.72771%0.708SS**  cis-171.4151.3-28.154.50000112
1377C22.6Very low26.4Very low111 Ų111128.3 Ų128.375%0.7571%0.708SS**  trans55.2118.9148.6-159.80000121.5
1378T27.6Very low26.8Very low135 Ų135126.3 Ų126.383%0.82870%0.702SS**  -170.6146.1113.816.50000113.8
1379Q25.8Very low27.1Very low180 Ų180124.8 Ų124.884%0.84170%0.695SS**  trans-100.2-167.7157.4-67.9-167.4-14.600107.4
1380P33.3Very low27.5Very low96 Ų96125.2 Ų125.262%0.62369%0.69SS**  cis-148.9-1599.641.2-16.7000116.4
1381T26.3Very low27.8Very low118 Ų118123.2 Ų123.272%0.72468%0.681SS**  trans69153.4153.6500000118.4
1382T27.5Very low28.2Very low117 Ų117124.9 Ų124.972%0.71868%0.675SS**  cis-155.4145-2.710000112.6
1383S23Very low28.6Very low83 Ų83123.3 Ų123.358%0.5867%0.67SS**  trans16.7162.7139.361.50000125.4
1384F27.7Very low28.8Very low188 Ų188119.9 Ų119.983%0.82566%0.66SS**  trans84.3123.8172.3-61.6-76000114.4
1385S23.1Very low29.1Very low97 Ų97122.3 Ų122.368%0.67867%0.665SS**  69125.766.8-161.80000110.4
1386T30Very low29.3Very low103 Ų103123.5 Ų123.563%0.63266%0.658SS**  -169.8141.367-70.70000106.2
1387Q26.8Very low29.4Very low158 Ų158126.8 Ų126.874%0.73866%0.662SS**  46.513595.1-114.5-177.514.400112.7
1388Q32Very low29.8Very low146 Ų146132.4 Ų132.468%0.68267%0.667SS**  cis-143.615431.8-88.4-175.4-58.600111.1
1389Q31.4Very low30.4Very low116 Ų116131 Ų13154%0.54266%0.661SS.*  57.5124.982.5-118167-8.100109.1
1390L33.6Very low30.6Very low89 Ų89130.6 Ų130.647%0.46666%0.659SS.*  cis-165.3-128.640.915.163.1000120T1495 H1496 H1497L1390-T1495 VanDerWaalsContact CB-CA 3.42Å; L1390-T1495 HydrophobicContact CB-CG2 4.08Å; L1390-T1495 VanDerWaalsContact CD2-CA 3.49Å; L1390-H1496 CarbonylContact C-O 3.57Å; L1390-H1496 VanDerWaalsContact C-O 3.29Å; L1390-H1496 HydrophobicContact CD1-CB 4.1Å; L1390-H1497 PolarHBondContact O-CE1 3.43Å; L1390-H1497 VanDerWaalsContact O-CE1 3.3Å
1391Q32.1Very low30.5Very low127 Ų127131.9 Ų131.959%0.59367%0.665SS**  trans-176.2-99.5-149.4163.3176.979.400120T1495 H1496 H1497Q1391-T1495 HydrophobicContact CB-CG2 3.6Å; Q1391-T1495 HydrophobicContact CG-CG2 4Å; Q1391-H1496 VanDerWaalsContact C-CA 3.43Å; Q1391-H1496 PolarHBondContact N-O 3.21Å; Q1391-H1496 CarbonylContact O-C 3.59Å; Q1391-H1496 WeakPolarHBondContact O-CA 3.24Å; Q1391-H1496 PolarHBondContact O-N 2.94Å; Q1391-H1497 PolarHBondContact O-N 3.38Å
1392R34.3Very low30.8Very low114 Ų114130.8 Ų130.843%0.4366%0.662SS.*  trans160.1175.4180-86.9-163.8174.6110.5-15.9118.5T1495R1392-T1495 VanDerWaalsContact CA-OG1 3.32Å; R1392-T1495 WeakPolarHBondContact CA-OG1 3.32Å; R1392-T1495 WeakPolarHBondContact CD-O 3.42Å; R1392-T1495 WeakPolarHBondContact CG-O 3.42Å; R1392-T1495 WeakPolarHBondContact CG-OG1 3.33Å; R1392-T1495 PolarHBondContact N-OG1 3.07Å; R1392-T1495 PolarHBondContact NH1-O 3Å; R1392-T1495 PolarHBondContact O-OG1 2.75Å
1393H36.4Very low30.9Very low118 Ų118131.6 Ų131.655%0.54666%0.661SS.*  trans-153.8168.4-156.8-102.8-135.1000110.9
1394H32.8Very low31.2Very low117 Ų117133.8 Ų133.854%0.54267%0.667SS.*  cis-179.7-176.8-18.9-173.5-95.5000109.6Q1396H1394-Q1396 PolarHBondContact CE1-OE1 2.73Å; H1394-Q1396 VanDerWaalsContact CE1-OE1 3.29Å
1395I33.2Very low31.3Very low137 Ų137130.2 Ų130.270%0.70366%0.656SS**  trans93114166.8-52.4173000112.9
1396Q29.5Very low31.6Very low139 Ų139130.9 Ų130.965%0.6565%0.652SS**  72146.465.7-102167.9-71.500112.8H1394H1394-Q1396 PolarHBondContact CE1-OE1 2.73Å; H1394-Q1396 VanDerWaalsContact CE1-OE1 3.29Å
1397E29.5Very low31.4Very low174 Ų174137.3 Ų137.381%0.81367%0.665SS**  cis-135.4-157.517.3-68.4-159.9121.600114.7
1398R29.4Very low31.4Very low228 Ų228134.1 Ų134.186%0.8667%0.666SS**  trans-143.3151.4-174.1-178.9-162-169.2-170.77.6108.2
1399P40.1Very low31.8Very low106 Ų106132.4 Ų132.469%0.68867%0.667SS**  trans-148.4150.7133.135.7-19.6000116.8
1400Q30.8Very low31.5Very low171 Ų171133.5 Ų133.580%0.79968%0.677SS**  trans54.6154.9135.4-62.8-179.86.800120.4
1401T31.9Very low31.2Very low123 Ų123140.1 Ų140.176%0.75570%0.697SS**  cis-166.5176.1-4.816.50000106.7
1402S30.9Very low31Very low95 Ų95139.2 Ų139.266%0.66470%0.7SS**  cis-160-145.1-10.746.30000106.3
1403L31.2Very low30.7Very low134 Ų134140.4 Ų140.470%0.70272%0.72SS**  cis-165.9144.1-1-133174.8000108.2
1404N28.9Very low30.3Very low130 Ų130139.2 Ų139.270%0.69573%0.725SS**  trans58.8151.3162.4-76.24.1000120.6
1405N30.2Very low30.2Very low113 Ų113141 Ų14160%0.60473%0.733SS**  cis-156.4142.74.1-124.9-3.3000112.4
1406N29Very low30.1Very low111 Ų111142.2 Ų142.259%0.59474%0.736SS**  trans55.2149.9143.7-64.8-3.9000121.9
1407W26.3Very low30.2Very low238 Ų238140.4 Ų140.490%0.90274%0.738SS**  cis-155.6-175.11.4-117.2-7.5000113.6
1408A25.8Very low30.4Very low91 Ų91138.7 Ų138.775%0.75273%0.733SS**  trans-112.5-173-171.400000113.1
1409P41Very low30.7Very low110 Ų110135.4 Ų135.471%0.71473%0.728SS**  trans-98.5-176-156.740.4-40.4000117.8
1410N25Very low30.4Very low138 Ų138134.5 Ų134.574%0.73872%0.724SS**  trans99.7111.2162.7-63.8-16.9000119.6
1411Y27.1Very low30.6Very low229 Ų229135.3 Ų135.390%0.89873%0.727SS**  trans-157.5130.4150.7-106.7-85.3000107.1
1412V27.3Very low30.4Very low108 Ų108132.7 Ų132.766%0.65573%0.725SS**  cis101.8107.86.3-172.10000115.9
1413V28.6Very low30.5Very low139 Ų139134 Ų13484%0.84273%0.734SS**  trans69152157.11630000119.2
1414S27.5Very low30.4Very low93 Ų93134 Ų13465%0.6574%0.74SS**  cis-175.7169.2-39.9-157.20000110.8
1415Q30.8Very low30.6Very low155 Ų155134 Ų13472%0.72475%0.75SS**  trans66.2148.1162.3-63.4-172.2-0.400119.1
1416H31.6Very low30.6Very low162 Ų162132 Ų13275%0.7576%0.757SS**  cis-114-173.81.3-50.2-95.4000109.5
1417S30.6Very low30.8Very low100 Ų100136.1 Ų136.170%0.69977%0.772SS**  cis-161.8170.34.7-1380000107.6
1418I34.6Very low30.9Very low138 Ų138129.8 Ų129.871%0.70876%0.764SS**  cis-150.2-159.14.2-156.2156000110.6
1419Q34.6Very low31.1Very low160 Ų160132.3 Ų132.375%0.74877%0.769SS**  trans-36.1153.4170.7-74158.4-9.700119.3
1420S33.9Very low30.6Very low87 Ų87130.9 Ų130.961%0.60877%0.767SS**  cis-176143.5-8.751.10000116
1421H34.9Very low30.9Very low187 Ų187133.9 Ų133.987%0.86678%0.776SS**  trans60.9158155.4-54.9-48.3000119.5
1422G29.7Very low31Very low69 Ų69133.9 Ų133.971%0.71178%0.775SS**  cis124.5137.96.400000110.4
1423S30.9Very low31.6Very low122 Ų122133.3 Ų133.385%0.85377%0.773SS**  cis-161-168.427.4-64.60000112.9
1424T30.2Very low31.6Very low134 Ų134134 Ų13482%0.82277%0.771SS**  trans-136.5-174.1-169.749.50000115
1425S32.1Very low31.8Very low129 Ų129136 Ų13690%0.90277%0.774SS**  trans96.3151.1170.779.10000117.8
1426G30.2Very low31.9Very low73 Ų73133.7 Ų133.775%0.75377%0.771SS**  cis-171.1-167300000117.2
1427H33.5Very low31.9Very low196 Ų196133.3 Ų133.391%0.90777%0.774SS**  trans-55.8172.6-178.8-66.1-67.5000117.3
1428S28.4Very low32Very low105 Ų105135.8 Ų135.873%0.73478%0.78SS**  cis179.3-171.4-19.8-176.10000109.3
1429V31.3Very low32.3Very low144 Ų144134.5 Ų134.587%0.87378%0.78SS**  trans88.5157.6167.6-168.60000116.5
1430A30.3Very low32.1Very low81 Ų81133.1 Ų133.167%0.66978%0.782SS**  trans-128.7167.3-155.600000114.9
1431H31.5Very low32.6Very low201 Ų201133.6 Ų133.693%0.93178%0.783SS**  trans-168.6171.1144.2-111.2-85000112.7
1432R28.4Very low32.3Very low229 Ų229131.4 Ų131.486%0.86478%0.777SS**  trans-103.9-178.8178.1-124.7-174.2174.4-166.21109.7
1433P40.2Very low32.3Very low95 Ų95134.4 Ų134.462%0.61778%0.776SS**  cis-136.8-153.6-1228.9-2.1000113.3
1434L28.6Very low32.1Very low153 Ų153132.6 Ų132.680%0.80177%0.769SS**  trans80.1151.3162.7-57.4175.9000117
1435L32.5Very low32.3Very low137 Ų137134.5 Ų134.572%0.71777%0.773SS**  cis-149.4146.68.3-115.9141.5000112.2
1436T31.6Very low32.2Very low106 Ų106133.3 Ų133.365%0.6577%0.765SS**  trans24130.1152.152.20000124.2
1437N32.9Very low32.8Very low154 Ų154134.9 Ų134.982%0.82476%0.761SS**  -172.5157.892.1-103-28.2000115.6
1438N31.6Very low32.9Very low152 Ų152135.1 Ų135.181%0.81376%0.76SS**  trans-91.1-169.2168.3-55.8-40.5000109.8
1439P41.8Very low33.7Very low111 Ų111135.1 Ų135.172%0.72176%0.758SS**  cis-122.1-166-2342.8-23.7000110.3
1440V30.1Very low33.8Very low130 Ų130138 Ų13879%0.78876%0.759SS**  cis80.2151.58.2-179.70000113.4
1441P43.2Very low34.1Very low97 Ų97139.5 Ų139.563%0.6376%0.759SS**  cis-133.7-161.1-20.532.9-9.1000114.8
1442I29Very low34.3Very low142 Ų142137.9 Ų137.973%0.72875%0.752SS**  trans68.4147.8134.6-83.1158.4000119.2
1443D30.2Very low34.5Very low132 Ų132135 Ų13571%0.70675%0.748SS**  cis-158.4147.6-16.3-109.4-3.6000107.5
1444A27.2Very low34.7Very low84 Ų84135.7 Ų135.769%0.69475%0.752SS**  73.7129.366.400000116
1445L33.6Very low34.8Very low173 Ų173133.6 Ų133.691%0.90675%0.75SS**  trans-150.9153.2164.6-104.3173.5000110.7
1446S30.7Very low34.7Very low105 Ų105133.4 Ų133.473%0.73475%0.754SS**  trans-136.6-156-179.6-57.20000107.9
1447P43.3Very low34.8Very low105 Ų105133.8 Ų133.868%0.68276%0.756SS**  cis-143.1155.9-11.238.3-18.4000118.4
1448K34.1Very low35Very low201 Ų201132.2 Ų132.287%0.87475%0.754SS**  trans63.2174.2147.1-69.8176.6179.7178.70118.7
1449P46.8Very low34.9Very low106 Ų106133.3 Ų133.369%0.68876%0.757SS**  cis-132.2154-5.922.71.3000118.8
1450F32.9Very low34.3Very low205 Ų205134.6 Ų134.690%0.89976%0.757SS**  trans54.9151.8156.1-74.5-80.9000120.2
1451V36.6Very low34.3Very low111 Ų111135.2 Ų135.267%0.67376%0.761SS**  cis-160.5145.249.81650000112.6
1452H35.2Very low33.7Very low167 Ų167137.4 Ų137.477%0.77377%0.768SS**  trans56151.9164.4-68.6-37.1000120.2
1453Q33.5Very low34.1Very low169 Ų169135.3 Ų135.379%0.7976%0.763SS**  cis-146.3-174.9-6.6-122.2-172.1-22.100110.2
1454P43.1Very low34.1Very low109 Ų109133.5 Ų133.571%0.70876%0.761SS**  trans-80.4143.5-144.335.4-38.4000116.9
1455C30.4Very low34.2Very low110 Ų110139.9 Ų139.974%0.74377%0.768SS**  87.5140.763.8-132.90000112
1456V31.8Very low34.8Very low133 Ų133136.9 Ų136.981%0.80676%0.759SS**  cis-135.2159.233.8-177.50000114.2
1457T33.6Very low34.9Very low114 Ų114139.2 Ų139.270%0.69976%0.758SS**  trans-89.5162.5-171.550.80000116.7
1458P36.8Very low34.3Very low120 Ų120141.3 Ų141.378%0.77976%0.759SS**  trans-101.3138.6149.335.9-27.2000112.5
1459M30.4Very low34.2Very low176 Ų176138.7 Ų138.787%0.86775%0.753SS**  trans-168.9165.1157.6-87.1-12095.200110.1
1460D27.7Very low33.5Very low137 Ų137140.9 Ų140.973%0.73376%0.756SS**  trans-79.4152.1-161.1-45.5-96000117.5
1461V30Very low33.4Very low143 Ų143136.3 Ų136.387%0.86775%0.75SS**  trans-152.1135.3133-179.40000109.3
1462D31.5Very low33.2Very low144 Ų144135.7 Ų135.777%0.7775%0.75SS**  trans-115.5142.2165.4175.134.5000108.5
1463P38Very low32.9Very low98 Ų98137.9 Ų137.964%0.63675%0.751SS**  -156.2146.4113.337.6-18.7000118.5
1464S29.8Very low32.8Very low93 Ų93137 Ų13765%0.6575%0.745SS**  trans62.4123.514459.90000120.5
1465Y29.1Very low32.1Very low219 Ų219140 Ų14086%0.85975%0.75SS**  61.8143.174.5-92.4-102.1000115.4
1466P45.4Very low32Very low109 Ų109138.2 Ų138.271%0.70875%0.75SS**  cis-122.2-158.219.139.8-20.3000112.8
1467Q32.9Very low31.8Very low154 Ų154140.6 Ų140.672%0.7275%0.752SS**  cis-146.9-112.29.9-160.5172.6-22.300115.6
1468Q31.6Very low31.4Very low149 Ų149141.5 Ų141.570%0.69675%0.753SS**  trans-147.8145.4-156.1-65.9155.6-3700111.8
1469I32.5Very low31Very low147 Ų147143.1 Ų143.175%0.75475%0.75SS**  168.6149.897.9-84.9175.5000106.5
1470M30.4Very low30.8Very low152 Ų152142 Ų14275%0.74974%0.743SS**  cis-166.4172.4-20.2-95.9-173.1-177.700109.2
1471S31.9Very low30.8Very low109 Ų109141.7 Ų141.776%0.76274%0.741SS**  trans34.2140.8145.7-59.80000123.2
1472S32Very low30.6Very low97 Ų97140.7 Ų140.768%0.67873%0.731SS**  cis-178.2152.3-4.955.40000113.6
1473R29.6Very low30.4Very low213 Ų213143.2 Ų143.280%0.80473%0.731SS**  trans68.1153.2156.9-72.2170.7169-176.1-2.8117.9
1474F29.9Very low29.8Very low151 Ų151144.8 Ų144.866%0.66273%0.732SS**  cis-153177.6-1.6-121.1-44.6000111.9
1475Q28.1Very low29.8Very low172 Ų172148.9 Ų148.980%0.80474%0.739SS**  trans-43.7171.6-177.9-69.6149.3-32.200118.9
1476G28.5Very low29.6Very low73 Ų73144.4 Ų144.475%0.75373%0.73SS**  cis-173.7-157.912.800000114.6
1477E27.5Very low28.7Very low182 Ų182147.4 Ų147.485%0.8573%0.732SS**  trans-115.6163-154.6-55.7171111.200118.3
1478N27Very low28.4Very low133 Ų133148.8 Ų148.871%0.71174%0.738SS**  trans51.7126.3141.8-69.7-11000126
1479E26.5Very low28.4Very low154 Ų154147 Ų14772%0.7274%0.742SS**  61.3124.4128.2-60.1-143.891.500126.1
1480H27.7Very low28.3Very low154 Ų154148.7 Ų148.771%0.71375%0.747SS**  trans75.6144.7135.3-86.2101.9000124.9
1481N27.2Very low28.5Very low130 Ų130150.1 Ų150.170%0.69575%0.752SS**  trans85.199.7156.2-74-30.6000123.6
1482N26.2Very low28.5Very low122 Ų122153.6 Ų153.665%0.65276%0.756SS**  77.6129.5120.3-75.9-30.2000125.2
1483Y26.2Very low28.5Very low197 Ų197153.2 Ų153.277%0.77375%0.753SS**  trans77.3116.2137.3-76.1-40.4000124
1484I26.7Very low28.7Very low130 Ų130145.2 Ų145.267%0.66773%0.728SS**  107.2138.3119.2-78.4171.4000122.4
1485F28.4Very low28.9Very low179 Ų179138.8 Ų138.879%0.78570%0.701SS**  trans65.6100.6162.9-76.7-42.5000124.4
1486N25.8Very low29.1Very low126 Ų126136.9 Ų136.967%0.67469%0.692SS**  61.1123.8112.2-111.5-22.6000123.4
1487K25.3Very low29.2Very low171 Ų171139.6 Ų139.674%0.74369%0.685SS**  trans70.7130.8131.4-94.5-179.8-179.8-178.10122.9
1488Q27.8Very low29.8Very low183 Ų183137 Ų13786%0.85568%0.684SS**  trans84.2160.1147.6-73.1-177.1-4500119
1489S31.9Very low30Very low112 Ų112136 Ų13678%0.78369%0.687SS**  trans-154.4149.9-143.648.80000113.1
1490Q30.5Very low30.7Very low182 Ų182134.4 Ų134.485%0.8569%0.69SS**  trans-155.8134.1157.7-97.9157.933.700106.1
1491Q34.5Very low30.8Very low182 Ų182131.5 Ų131.585%0.8569%0.693SS**  cis86.8113.940.5-84.9-160.8-17.900116.3
1492Q31.4Very low31Very low183 Ų183136.6 Ų136.686%0.85570%0.704SS**  trans-139.2119.5138.1-63.3-172.5-3.200105.4
1493S32.7Very low31.2Very low88 Ų88135 Ų13562%0.61570%0.703SS**  71.6148.589.799.80000114
1494V32.4Very low31.4Very low45 Ų45134.5 Ų134.527%0.27371%0.707SS.*  cis-155.9179.51090.30000112
1495T34.1Very low31.6Very low17 Ų17133.7 Ų133.710%0.10471%0.708CS.*  trans-152.7179.3-148.449.40000121.5L1390 Q1391 R1392L1390-T1495 VanDerWaalsContact CB-CA 3.42Å; L1390-T1495 HydrophobicContact CB-CG2 4.08Å; L1390-T1495 VanDerWaalsContact CD2-CA 3.49Å; Q1391-T1495 HydrophobicContact CB-CG2 3.6Å; Q1391-T1495 HydrophobicContact CG-CG2 4Å; R1392-T1495 VanDerWaalsContact CA-OG1 3.32Å; R1392-T1495 WeakPolarHBondContact CA-OG1 3.32Å; R1392-T1495 WeakPolarHBondContact CD-O 3.42Å; R1392-T1495 WeakPolarHBondContact CG-O 3.42Å; R1392-T1495 WeakPolarHBondContact CG-OG1 3.33Å; R1392-T1495 PolarHBondContact N-OG1 3.07Å; R1392-T1495 PolarHBondContact NH1-O 3Å; R1392-T1495 PolarHBondContact O-OG1 2.75Å
1496H33.3Very low31.9Very low132 Ų132132.5 Ų132.561%0.61171%0.708SS**  trans178.8161.5164.3-107.7-50.2000120.2L1390 Q1391L1390-H1496 CarbonylContact C-O 3.57Å; L1390-H1496 VanDerWaalsContact C-O 3.29Å; L1390-H1496 HydrophobicContact CD1-CB 4.1Å; Q1391-H1496 VanDerWaalsContact C-CA 3.43Å; Q1391-H1496 PolarHBondContact N-O 3.21Å; Q1391-H1496 CarbonylContact O-C 3.59Å; Q1391-H1496 WeakPolarHBondContact O-CA 3.24Å; Q1391-H1496 PolarHBondContact O-N 2.94Å
1497H30.5Very low32.1Very low130 Ų130133.5 Ų133.560%0.60271%0.709SS**  trans-155.40-175.2-75.1-23.8000111.6L1390 Q1391L1390-H1497 PolarHBondContact O-CE1 3.43Å; L1390-H1497 VanDerWaalsContact O-CE1 3.3Å; Q1391-H1497 PolarHBondContact O-N 3.38Å
1498P39.3Very low32.4Very low127 Ų127128.5 Ų128.583%0.82571%0.706SS**  0-120.4044-18.5000119.1
1499S30.8Very low32.7Very low112 Ų112127.1 Ų127.178%0.78370%0.699SS**  trans-161176.7-173.5-64.70000112.4
1500P42.4Very low32.5Very low121 Ų121128.5 Ų128.579%0.78670%0.698SS**  cis-144176.810.346-26.5000120.5
1501A29.4Very low32.9Very low93 Ų93125.4 Ų125.477%0.76969%0.694SS**  trans61.2129.1144.100000126.4
1502Y30.3Very low32.7Very low237 Ų237119.8 Ų119.893%0.92968%0.684SS**  trans-161.9177.5134.8-130.6-96.8000112
1503S31.7Very low32.6Very low89 Ų89117.5 Ų117.562%0.62268%0.683SS**  trans-127.2148-155.6-57.20000118.8
1504Q30.3Very low32.4Very low185 Ų185121.6 Ų121.686%0.86470%0.697SS**  trans61.8171.9148.8-66.8175.7-1800117
1505V31.1Very low32.3Very low113 Ų113127 Ų12769%0.68572%0.724SS**  cis-167.2144.348.11640000111.8
1506I33.4Very low32.8Very low154 Ų154131.4 Ų131.479%0.7975%0.752SS**  trans66.2130.6161.6-76.3165.8000118.2
1507E31.6Very low32.9Very low147 Ų147131.3 Ų131.369%0.68776%0.764SS**  cis-130.1-157.9-0.9-136.2-157.3-145.400110.7H1509E1507-H1509 VanDerWaalsContact CD-ND1 3.32Å; E1507-H1509 IonicContact OE1-CE1 2.75Å; E1507-H1509 IonicContact OE1-ND1 2.73Å; E1507-H1509 PolarHBondContact OE1-ND1 3.23Å; E1507-H1509 IonicContact OE2-CE1 2.8Å; E1507-H1509 IonicContact OE2-CG 3.93Å; E1507-H1509 IonicContact OE2-ND1 2.72Å; E1507-H1509 PolarHBondContact OE2-ND1 2.75Å
1508G30.5Very low32.8Very low67 Ų67129.4 Ų129.469%0.69177%0.765SS**  cis173.7172.46.800000110
1509H34Very low32.2Very low154 Ų154131.6 Ų131.671%0.71376%0.764SS**  cis-142.8-159.9-4.8-160.373.5000108.6E1507E1507-H1509 VanDerWaalsContact CD-ND1 3.32Å; E1507-H1509 IonicContact OE1-CE1 2.75Å; E1507-H1509 IonicContact OE1-ND1 2.73Å; E1507-H1509 PolarHBondContact OE1-ND1 3.23Å; E1507-H1509 IonicContact OE2-CE1 2.8Å; E1507-H1509 IonicContact OE2-CG 3.93Å; E1507-H1509 IonicContact OE2-ND1 2.72Å; E1507-H1509 PolarHBondContact OE2-ND1 2.75Å
1510N27.7Very low32.1Very low140 Ų140131.8 Ų131.875%0.74976%0.761SS**  trans-156.5-172.9-175.6-128.2-10.6000110.7
1511P39.3Very low31.3Very low118 Ų118130.1 Ų130.177%0.76675%0.752SS**  cis-137.3-167.8-6.343-23.9000115.8
1512G29.7Very low31.5Very low63 Ų63131.8 Ų131.865%0.64976%0.758SS**  trans103.6119.3159.300000114.7
1513T29.2Very low31.5Very low135 Ų135123.5 Ų123.583%0.82875%0.745SS**  cis75.1100.638.5-44.40000114.6
1514L30.1Very low31.3Very low175 Ų175124.6 Ų124.692%0.91675%0.748SS**  trans175.3169.7130.8-95.9168.9000113.3
1515L29.7Very low31.3Very low158 Ų158123.3 Ų123.383%0.82775%0.746SS**PPolyproline II helixtrans-87.9170.6177-88.7164.8000111.9
1516P44.8Very low31.2Very low109 Ų109122 Ų12271%0.70874%0.742SS**PPolyproline II helixtrans-89.9158.1-153.635.5-38.2000115.7
1517P35.5Very low31Very low130 Ų130122.1 Ų122.184%0.84474%0.743SS**PPolyproline II helixtrans-93.9134.815534.9-28.1000111.4
1518S28.1Very low31.1Very low91 Ų91119.7 Ų119.764%0.63674%0.743SS**  trans-106.8154171.861.70000111
1519Q27.6Very low31.1Very low172 Ų172122.7 Ų122.780%0.80474%0.743SS**  trans65.4178.6163.1-54170.518.800113.8
1520T27.9Very low30.9Very low116 Ų116125 Ų12571%0.71275%0.746SS**  cis-160.8155.30.5-2.30000106.3
1521S26.5Very low31.1Very low86 Ų86128 Ų12860%0.60175%0.747SS**  cis-175.6144.4-24.7510000109
1522S32.9Very low30.8Very low128 Ų128130.9 Ų130.990%0.89575%0.75SS**SBendtrans-146.7113.6172.758.20000112.1
1523G30.2Very low31.4Very low64 Ų64133 Ų13366%0.6675%0.752SS**  cis-159.5131-15.300000108.4
1524T27.7Very low31.5Very low111 Ų111129.8 Ų129.868%0.68175%0.746SS**  54.6119.985.547.40000116.9
1525I29.9Very low31.7Very low159 Ų159128 Ų12882%0.81574%0.743SS**  trans74.1132.8146.5-63.3165.9000115.9
1526S29.7Very low31.8Very low86 Ų86124.9 Ų124.960%0.60174%0.739SS**  cis-172.4162.6-13.356.80000110.7
1527N29.6Very low31.8Very low155 Ų155125.4 Ų125.483%0.82974%0.743SS**  trans67.3144.9161.8-70.8-20.3000117.3
1528S32.2Very low32.2Very low96 Ų96124.9 Ų124.967%0.67174%0.739SS**  cis-160175.7-4.552.50000112.5
1529N30.5Very low32.2Very low131 Ų131124 Ų12470%0.70174%0.744SS**  trans91125142.7-96.9-7.3000123
1530W31Very low32.2Very low201 Ų201121.5 Ų121.576%0.76175%0.746SS**  trans75111.8157.7-60.4106000123.2
1531R31.6Very low32.2Very low205 Ų205122.1 Ų122.177%0.77475%0.75SS**  trans77.493.4144.7-65.3-176.4-178.9-103.7-0121.9
1532Q33.5Very low32.2Very low178 Ų178124.4 Ų124.483%0.83275%0.753SS**  71.5151.3102.6-77.7-110.4-33.200120
1533P40.9Very low31.8Very low107 Ų107127.7 Ų127.770%0.69575%0.747SS**  -116.9173.2-95.712.313.8000112.7
1534G32.3Very low32.3Very low68 Ų68129.6 Ų129.670%0.70175%0.748SS**  97.9152.953.400000110
1535T33.3Very low32.1Very low138 Ų138129.5 Ų129.585%0.84775%0.752SS**  cis-165.2130.9-1.67.90000107.6
1536A33Very low31.9Very low91 Ų91125 Ų12575%0.75274%0.744SS**  76.5134.89800000117.8
1537P44.4Very low31.8Very low121 Ų121126.1 Ų126.179%0.78675%0.752SS**  trans-104.8-154.6178.946.5-39.6000111.2
1538P43.3Very low31.8Very low119 Ų119123.2 Ų123.277%0.77374%0.744SS**  cis-138.2158-9.540-21.5000118.3
1539G27.7Very low31.7Very low72 Ų72123.1 Ų123.174%0.74274%0.739SS**  trans52.7124.5137.100000125
1540S28.7Very low31.7Very low120 Ų120122 Ų12284%0.83974%0.742SS**  trans-170.5132.6140.5-86.30000115.9
1541T27.3Very low31.6Very low129 Ų129117.3 Ų117.379%0.79174%0.739SS**  trans20.2130.9149.58.40000126.1
1542M25.7Very low31.8Very low134 Ų134113.9 Ų113.966%0.6674%0.741SS**  trans93.9139.4138.5-60.5-137.576.200124.4
1543Y26.1Very low31.7Very low196 Ų196113.6 Ų113.677%0.76974%0.74SS**  trans72.4169.4157-69.8-57000118.2
1544P39.4Very low31.7Very low105 Ų105113.6 Ų113.668%0.68274%0.74SS**  -137.2-164.6-84.538.4-16.4000115.9
1545S24.8Very low31.6Very low109 Ų109116.7 Ų116.776%0.76274%0.74SS**  trans3.8143.6153.657.30000120.6
1546G24.7Very low31.4Very low64 Ų64115.6 Ų115.666%0.6673%0.733SS**  cis146.3170.63.900000112.9
1547S27.3Very low31.1Very low110 Ų110116.3 Ų116.377%0.76973%0.733SS**  trans69100.5163.231.70000122.5
1548S29.8Very low30.6Very low93 Ų93118.7 Ų118.765%0.6574%0.737SS**  67.9170.511565.30000124.6
1549V30.6Very low29.9Very low94 Ų94118.8 Ų118.857%0.5774%0.736SS**  trans79.6144169-154.60000113.6
1550S29.2Very low29.9Very low109 Ų109126.4 Ų126.476%0.76274%0.742SS**  cis-120.3-167.58.3-35.10000111.2
1551S29Very low29.9Very low102 Ų102125.8 Ų125.871%0.71374%0.738SS**  cis-153.8-161.9-5.146.70000106.8
1552T36.8Very low30Very low132 Ų132123.3 Ų123.381%0.8174%0.738SS**  cis-150.4-146.87-290000109.8
1553Q31.4Very low30Very low173 Ų173121.9 Ų121.981%0.80874%0.741SS**  trans-155.4171179.7-119.2178.720.500109.9
1554P39.8Very low30.2Very low106 Ų106119.8 Ų119.869%0.68874%0.74SS**  -158.3177.159.144.6-22.6000120.9
1555N30.6Very low29.5Very low134 Ų134123 Ų12372%0.71775%0.746SS**  trans73.4121.3140.3-80.97.7000126.3
1556T30.4Very low30.5Very low114 Ų114122.5 Ų122.570%0.69974%0.74SS**  trans52.7107.9131.8630000122.8
1557S26.9Very low30.6Very low107 Ų107126 Ų12675%0.74875%0.749SS**  trans26.2119.1130.760.50000121.1
1558I32.4Very low30.6Very low170 Ų170125.6 Ų125.687%0.87275%0.746SS**  trans-162.8154.2132.3-107.1157.2000112.6
1559V28.1Very low30.6Very low122 Ų122126.2 Ų126.274%0.73975%0.751SS**  trans-34155177.8-164.40000118.7
1560R29Very low30.5Very low232 Ų232130.4 Ų130.488%0.87576%0.764SS**  trans103.8146.3162.8-65.9-169172.3-176.5-3.5116
1561S28Very low30.6Very low107 Ų107130.5 Ų130.575%0.74876%0.764SS**  cis158138.3-35.452.10000108.4
1562G29.6Very low30.8Very low77 Ų77133.3 Ų133.379%0.79477%0.77SS**  trans105.9116.4-176.100000111
1563S26Very low30.5Very low104 Ų104133.2 Ų133.273%0.72777%0.769SS**  cis96.3149.821.8-157.50000114.7
1564M29.7Very low30.2Very low152 Ų152129 Ų12975%0.74976%0.759SS**  trans66.4133.6-173.7-55.2-64.997.100113.9
1565Q25.3Very low29.6Very low171 Ų171130 Ų13080%0.79976%0.763SS**  cis68.715329.9-104.6-156.2-15.800114.2
1566P45.4Very low29.5Very low100 Ų100129.1 Ų129.165%0.64976%0.763SS**  -132.7-137.3-114.442.6-23.3000113.5
1567T26.7Very low29.3Very low137 Ų137128.8 Ų128.884%0.8477%0.765SS**  trans78.9157.7-178.282.60000114.3
1568S26.8Very low29.6Very low101 Ų101129 Ų12971%0.70676%0.764SS**  cis-137.5158.4-5.862.40000108.6
1569S31.3Very low29.4Very low107 Ų107128.3 Ų128.375%0.74876%0.762SS**  -171.6143.565.837.90000107.7
1570Q28.2Very low29.3Very low181 Ų181129.5 Ų129.585%0.84676%0.763SS**  cis83.896.943.9-72.6-156.43.400116.2
1571S32Very low29.3Very low111 Ų111121.7 Ų121.778%0.77675%0.754SS**  trans-159.9118.5148.8-63.10000105.9
1572I31.6Very low29.3Very low162 Ų162122.2 Ų122.283%0.83175%0.753SS**  69.4120.874.2-64167.6000110.9
1573V30.6Very low29.3Very low129 Ų129123.2 Ų123.278%0.78275%0.754SS**  cis-150.4158.3-1.8108.30000114.6
1574S26.6Very low29.5Very low86 Ų86124.6 Ų124.660%0.60176%0.757SS**  trans-54.6159.8178.8-39.30000120.6
1575T27Very low29.7Very low126 Ų126122 Ų12277%0.77375%0.752SS**  trans65.4144.4136.354.20000120.2
1576T28.3Very low30.2Very low116 Ų116120 Ų12071%0.71276%0.755SS**  cis-160.3148.24.3-1.40000112.5
1577S26.3Very low29.8Very low106 Ų106120.9 Ų120.974%0.74176%0.763SS**  trans63.8165.5149.9-570000119.4
1578P33.3Very low30.7Very low113 Ų113118.2 Ų118.273%0.73474%0.743SS**  -132139.3-54.535.8-22.3000112.1
1579N27.6Very low32.6Very low154 Ų154115.8 Ų115.882%0.82473%0.727SS**  trans-161.6161.8156.4-122.9-43.1000117.7
1580I25.7Very low34Very low148 Ų148115.8 Ų115.876%0.75972%0.724SS**  trans-45.5135.8174.2-63.9157.5000114V1582I1580-V1582 HydrophobicContact CG2-CG2 4.01Å
1581G29.3Very low35.6Very low68 Ų68111.2 Ų111.270%0.70170%0.703SS**  trans-174.989.1167.300000110
1582V27.2Very low37Very low118 Ų118109.8 Ų109.872%0.71569%0.686SS**  5289.179.4-172.20000111.1I1580 V1584I1580-V1582 HydrophobicContact CG2-CG2 4.01Å; V1582-V1584 PolarHBondContact O-N 2.95Å
1583A29.9Very low38.8Very low98 Ų98105.7 Ų105.781%0.8167%0.669SS**PPolyproline II helixtrans-68.2122.7169.500000109.6
1584V30.7Very low40.8Very low133 Ų133106.3 Ų106.381%0.80666%0.657SS**PPolyproline II helixtrans-67.1127.2-172.9178.10000110.9V1582V1582-V1584 PolarHBondContact O-N 2.95Å
1585P34.9Very low43Very low97 Ų97106.9 Ų106.963%0.6365%0.652SS**PPolyproline II helixtrans-71.5149.1175.330.2-34.8000111.5S1587P1585-S1587 PolarHBondContact O-N 3.27Å
1586C34.1Very low45Very low129 Ų129104.2 Ų104.287%0.87264%0.635SS**PPolyproline II helixtrans-56.8130.9-178.5-56.20000112.3
1587S37Very low47Very low118 Ų118104.5 Ų104.583%0.82563%0.629SS**PPolyproline II helixtrans-61.9136.6174.240.20000111.7P1585P1585-S1587 PolarHBondContact O-N 3.27Å
1588I47.3Very low49.4Very low81 Ų81105 Ų10542%0.41562%0.619SS.*PPolyproline II helixtrans-74.1134.8173.8-61174.3000108.4D1592 V1593I1588-D1592 HydrophobicContact CG2-CB 3.97Å; I1588-V1593 HydrophobicContact CG2-CG2 3.99Å
1589S66.8Low51.1Low51 Ų51101.7 Ų101.736%0.35760%0.601SS.*PPolyproline II helixtrans-67.9139177.51790000110.8E1591 D1592 V1593S1589-E1591 PolarHBondContact O-N 3.17Å; S1589-E1591 VanDerWaalsContact O-N 3.11Å; S1589-E1591 PolarHBondContact OG-N 3.24Å; S1589-D1592 WeakPolarHBondContact CB-OD2 3.29Å; S1589-D1592 PolarHBondContact N-OD2 3.01Å; S1589-D1592 WeakPolarHBondContact O-CB 3.29Å; S1589-D1592 PolarHBondContact O-N 3.22Å; S1589-V1593 PolarHBondContact O-N 3.38Å
1590P58.9Low53.6Low107 Ų10798.9 Ų98.970%0.69558%0.58SS**Hα-helixtrans-54.1-28.2168.9-26.735.6000113.3R1594P1590-R1594 PolarHBondContact O-N 2.99Å
1591E62.5Low56.1Low85 Ų8594.7 Ų94.740%0.39756%0.561SS.*Hα-helixtrans-75.2-31.3177.2-159.160.1-154.100112.5S1589 V1593 R1594 I1595S1589-E1591 PolarHBondContact O-N 3.17Å; S1589-E1591 VanDerWaalsContact O-N 3.11Å; S1589-E1591 PolarHBondContact OG-N 3.24Å; E1591-V1593 VanDerWaalsContact C-N 3.32Å; E1591-V1593 PolarHBondContact O-N 3.18Å; E1591-R1594 VanDerWaalsContact CD-NE 3.26Å; E1591-R1594 WeakPolarHBondContact O-CB 3.5Å; E1591-R1594 PolarHBondContact O-N 3.48Å; E1591-R1594 IonicContact OE1-CZ 2.88Å; E1591-R1594 IonicContact OE1-NE 2.62Å; E1591-R1594 PolarHBondContact OE1-NE 2.92Å; E1591-R1594 IonicContact OE1-NH2 3.82Å; E1591-R1594 PolarHBondContact OE1-NH2 2.88Å; E1591-R1594 WeakPolarHBondContact OE2-CD 3.07Å; E1591-R1594 IonicContact OE2-CZ 2.59Å; E1591-R1594 IonicContact OE2-NE 3.15Å; E1591-R1594 PolarHBondContact OE2-NE 3.12Å; E1591-R1594 IonicContact OE2-NH2 2.67Å; E1591-I1595 HydrophobicContact CG-CD1 4.17Å; E1591-I1595 WeakPolarHBondContact O-CB 3.45Å; E1591-I1595 WeakPolarHBondContact O-CD1 3.32Å; E1591-I1595 VanDerWaalsContact O-CG1 3.25Å; E1591-I1595 WeakPolarHBondContact O-CG1 3.5Å; E1591-I1595 PolarHBondContact O-N 2.79Å
1592D61.3Low58.5Low80 Ų8094.1 Ų94.143%0.42854%0.544SS..Hα-helixtrans-62.3-43.2172.9-67.2-39.1000110.5I1588 S1589 I1595 V1596I1588-D1592 HydrophobicContact CG2-CB 3.97Å; S1589-D1592 WeakPolarHBondContact CB-OD2 3.29Å; S1589-D1592 PolarHBondContact N-OD2 3.01Å; S1589-D1592 WeakPolarHBondContact O-CB 3.29Å; S1589-D1592 PolarHBondContact O-N 3.22Å; D1592-I1595 PolarHBondContact O-N 3.08Å; D1592-V1596 WeakPolarHBondContact O-CG2 3.21Å; D1592-V1596 PolarHBondContact O-N 2.89Å
1593V69.2Low60.7Low77 Ų7790.3 Ų90.347%0.46752%0.519SS..Hα-helixtrans-62.6-44.4175.5-176.80000110.4I1588 S1589 E1591 I1595 V1596 Q1597I1588-V1593 HydrophobicContact CG2-CG2 3.99Å; S1589-V1593 PolarHBondContact O-N 3.38Å; E1591-V1593 VanDerWaalsContact C-N 3.32Å; E1591-V1593 PolarHBondContact O-N 3.18Å; V1593-I1595 PolarHBondContact O-N 2.68Å; V1593-V1596 PolarHBondContact O-N 3.12Å; V1593-Q1597 WeakPolarHBondContact O-CB 3.43Å; V1593-Q1597 PolarHBondContact O-N 3.24Å
1594R73.6Confident62.8Low142 Ų14293.9 Ų93.954%0.53651%0.512SS..Hα-helixtrans-58.5-46.3174.7-110.1174.755.594.410.2112.3P1590 E1591 Q1597 Q1598P1590-R1594 PolarHBondContact O-N 2.99Å; E1591-R1594 VanDerWaalsContact CD-NE 3.26Å; E1591-R1594 WeakPolarHBondContact O-CB 3.5Å; E1591-R1594 PolarHBondContact O-N 3.48Å; E1591-R1594 IonicContact OE1-CZ 2.88Å; E1591-R1594 IonicContact OE1-NE 2.62Å; E1591-R1594 PolarHBondContact OE1-NE 2.92Å; E1591-R1594 IonicContact OE1-NH2 3.82Å; E1591-R1594 PolarHBondContact OE1-NH2 2.88Å; E1591-R1594 WeakPolarHBondContact OE2-CD 3.07Å; E1591-R1594 IonicContact OE2-CZ 2.59Å; E1591-R1594 IonicContact OE2-NE 3.15Å; E1591-R1594 PolarHBondContact OE2-NE 3.12Å; E1591-R1594 IonicContact OE2-NH2 2.67Å; R1594-Q1597 PolarHBondContact O-N 3.11Å; R1594-Q1598 VanDerWaalsContact O-CB 3.24Å; R1594-Q1598 WeakPolarHBondContact O-CB 3.2Å; R1594-Q1598 PolarHBondContact O-N 2.82Å
1595I72.5Confident65.1Low97 Ų9795 Ų9550%0.49751%0.508SS..Hα-helixtrans-63.2-45.8179.7-71.2161.3000110.8E1591 D1592 V1593 Q1597 Q1598 A1599E1591-I1595 HydrophobicContact CG-CD1 4.17Å; E1591-I1595 WeakPolarHBondContact O-CB 3.45Å; E1591-I1595 WeakPolarHBondContact O-CD1 3.32Å; E1591-I1595 VanDerWaalsContact O-CG1 3.25Å; E1591-I1595 WeakPolarHBondContact O-CG1 3.5Å; E1591-I1595 PolarHBondContact O-N 2.79Å; D1592-I1595 PolarHBondContact O-N 3.08Å; V1593-I1595 PolarHBondContact O-N 2.68Å; I1595-Q1597 PolarHBondContact O-N 2.98Å; I1595-Q1598 PolarHBondContact O-N 2.78Å; I1595-A1599 WeakPolarHBondContact O-CB 3.26Å; I1595-A1599 PolarHBondContact O-N 3.47Å
1596V68.1Low67.1Low70 Ų70100.7 Ų100.742%0.42452%0.517SS..Hα-helixtrans-59.3-46.4175.2165.80000111.2D1592 V1593 A1599 Y1600 F1617D1592-V1596 WeakPolarHBondContact O-CG2 3.21Å; D1592-V1596 PolarHBondContact O-N 2.89Å; V1593-V1596 PolarHBondContact O-N 3.12Å; V1596-A1599 PolarHBondContact O-N 2.88Å; V1596-Y1600 PolarHBondContact O-N 3.15Å; V1596-F1617 HydrophobicContact CG1-CD1 4.31Å; V1596-F1617 HydrophobicContact CG1-CE1 3.85Å
1597Q71.3Confident68.4Low123 Ų12397.6 Ų97.658%0.57551%0.507SS*.Hα-helixtrans-71.7-33.4-178.1-166.2159.7-0.800112.7V1593 R1594 I1595 T1601V1593-Q1597 WeakPolarHBondContact O-CB 3.43Å; V1593-Q1597 PolarHBondContact O-N 3.24Å; R1594-Q1597 PolarHBondContact O-N 3.11Å; I1595-Q1597 PolarHBondContact O-N 2.98Å; Q1597-T1601 WeakPolarHBondContact O-CB 3.45Å; Q1597-T1601 PolarHBondContact O-N 3.42Å; Q1597-T1601 PolarHBondContact O-OG1 3.48Å
1598Q76.7Confident69.9Low116 Ų11693.4 Ų93.454%0.54248%0.48SS..Hα-helixtrans-69.5-38.4173.3-167.7170.2800111.6R1594 I1595 T1602R1594-Q1598 VanDerWaalsContact O-CB 3.24Å; R1594-Q1598 WeakPolarHBondContact O-CB 3.2Å; R1594-Q1598 PolarHBondContact O-N 2.82Å; I1595-Q1598 PolarHBondContact O-N 2.78Å; Q1598-T1602 WeakPolarHBondContact O-CB 3.25Å; Q1598-T1602 PolarHBondContact O-N 3.46Å; Q1598-T1602 PolarHBondContact O-OG1 3.22Å
1599A69Low71.1Confident43 Ų4393 Ų9336%0.35548%0.482SS..Hα-helixtrans-64.5-46.5172.200000112.2I1595 V1596 T1601 T1602 M1603 F1617I1595-A1599 WeakPolarHBondContact O-CB 3.26Å; I1595-A1599 PolarHBondContact O-N 3.47Å; V1596-A1599 PolarHBondContact O-N 2.88Å; A1599-T1601 PolarHBondContact O-N 2.9Å; A1599-T1602 PolarHBondContact O-N 2.85Å; A1599-M1603 PolarHBondContact O-N 2.91Å; A1599-F1617 HydrophobicContact CB-CZ 4.18Å
1600Y78.8Confident70.7Confident95 Ų9594 Ų9437%0.37349%0.494SS..Hα-helixtrans-57.8-47.5175.1176.3-93.1000111.7V1596 T1602 M1603 R1604 V1613 F1617V1596-Y1600 PolarHBondContact O-N 3.15Å; Y1600-T1602 VanDerWaalsContact C-N 3.35Å; Y1600-T1602 PolarHBondContact O-N 3.2Å; Y1600-M1603 PolarHBondContact O-N 3.44Å; Y1600-R1604 HydrophobicContact CE1-CG 4.44Å; Y1600-R1604 PolarHBondContact O-N 3.07Å; Y1600-R1604 PolarHBondContact OH-NE 2.85Å; Y1600-V1613 HydrophobicContact CD2-CG1 3.76Å; Y1600-V1613 HydrophobicContact CE2-CG1 3.75Å; Y1600-F1617 HydrophobicContact CD2-CD2 4.36Å; Y1600-F1617 AromaticContact CD2-CE2 3.92Å; Y1600-F1617 HydrophobicContact CD2-CE2 3.92Å; Y1600-F1617 HydrophobicContact CG-CE2 4.39Å
1601T78.8Confident70.9Confident60 Ų6093.2 Ų93.237%0.36849%0.491SS..Hα-helixtrans-62-42.2178.7-55.40000111.5Q1597 A1599 R1604 Q1605Q1597-T1601 WeakPolarHBondContact O-CB 3.45Å; Q1597-T1601 PolarHBondContact O-N 3.42Å; Q1597-T1601 PolarHBondContact O-OG1 3.48Å; A1599-T1601 PolarHBondContact O-N 2.9Å; T1601-R1604 PolarHBondContact O-N 3.18Å; T1601-Q1605 WeakPolarHBondContact O-CB 3.48Å; T1601-Q1605 WeakPolarHBondContact O-CG 3.24Å; T1601-Q1605 PolarHBondContact O-N 3.5Å
1602T79.9Confident70.8Confident56 Ų5694.6 Ų94.634%0.34450%0.497SS..Hα-helixtrans-64.6-40.3177.8-56.10000112Q1598 A1599 Y1600 Q1605 R1606Q1598-T1602 WeakPolarHBondContact O-CB 3.25Å; Q1598-T1602 PolarHBondContact O-N 3.46Å; Q1598-T1602 PolarHBondContact O-OG1 3.22Å; A1599-T1602 PolarHBondContact O-N 2.85Å; Y1600-T1602 VanDerWaalsContact C-N 3.35Å; Y1600-T1602 PolarHBondContact O-N 3.2Å; T1602-Q1605 PolarHBondContact O-N 3.48Å; T1602-R1606 WeakPolarHBondContact O-CG 3.39Å; T1602-R1606 PolarHBondContact O-N 3.49Å; T1602-R1606 VanDerWaalsContact O-N 3.14Å
1603M73.2Confident70.9Confident38 Ų3891.3 Ų91.319%0.18748%0.48CS..Hα-helixtrans-68.7-39.5176.6-70.1-166.1-66.700112.2A1599 Y1600 R1606 G1607 A1608 V1613 F1616 F1617A1599-M1603 PolarHBondContact O-N 2.91Å; Y1600-M1603 PolarHBondContact O-N 3.44Å; M1603-R1606 PolarHBondContact O-N 2.9Å; M1603-G1607 PolarHBondContact O-N 3.1Å; M1603-A1608 HydrophobicContact CB-CB 4.32Å; M1603-A1608 WeakPolarHBondContact O-CB 3.43Å; M1603-A1608 PolarHBondContact O-N 3.48Å; M1603-V1613 HydrophobicContact CB-CG2 4.26Å; M1603-V1613 HydrophobicContact CE-CG1 4.39Å; M1603-F1616 HydrophobicContact CE-CB 4.13Å; M1603-F1616 HydrophobicContact CE-CD1 4.48Å; M1603-F1616 HydrophobicContact CE-CG 4.33Å; M1603-F1616 HydrophobicContact SD-CG 4.35Å; M1603-F1617 HydrophobicContact CE-CD2 4.05Å; M1603-F1617 HydrophobicContact CE-CE2 3.28Å; M1603-F1617 HydrophobicContact CE-CZ 3.79Å
1604R74.1Confident70.7Confident174 Ų17492.4 Ų92.466%0.65748%0.483SS*.Hα-helixtrans-60.6-45.7170.9-103.1-159-179-132.53.9112.2Y1600 T1601 R1606 G1607Y1600-R1604 HydrophobicContact CE1-CG 4.44Å; Y1600-R1604 PolarHBondContact O-N 3.07Å; Y1600-R1604 PolarHBondContact OH-NE 2.85Å; T1601-R1604 PolarHBondContact O-N 3.18Å; R1604-R1606 PolarHBondContact O-N 3.18Å; R1604-G1607 PolarHBondContact O-N 3.2Å
1605Q78.4Confident70.2Confident157 Ų15795.8 Ų95.873%0.73450%0.496SS*.Hα-helixtrans-64.9-21.4179.3-76177.5-10.400113.5T1601 T1602T1601-Q1605 WeakPolarHBondContact O-CB 3.48Å; T1601-Q1605 WeakPolarHBondContact O-CG 3.24Å; T1601-Q1605 PolarHBondContact O-N 3.5Å; T1602-Q1605 PolarHBondContact O-N 3.48Å
1606R78Confident69.2Low215 Ų21597.3 Ų97.381%0.81150%0.499SS*.THydrogen-bonded Turntrans-92.25.9174-69.7-179.2177.9-164.8-1.3114.1T1602 M1603 R1604 A1608T1602-R1606 WeakPolarHBondContact O-CG 3.39Å; T1602-R1606 PolarHBondContact O-N 3.49Å; T1602-R1606 VanDerWaalsContact O-N 3.14Å; M1603-R1606 PolarHBondContact O-N 2.9Å; R1604-R1606 PolarHBondContact O-N 3.18Å; R1606-A1608 VanDerWaalsContact C-N 3.31Å; R1606-A1608 PolarHBondContact O-N 2.93Å
1607G61.5Low68.2Low65 Ų6595.7 Ų95.767%0.6749%0.486SS*.THydrogen-bonded Turntrans70.521.5176.800000114.8M1603 R1604M1603-G1607 PolarHBondContact O-N 3.1Å; R1604-G1607 PolarHBondContact O-N 3.2Å
1608A68.5Low66.9Low29 Ų2994.3 Ų94.324%0.2448%0.482CS..  trans-62.5134178.800000111M1603 R1606 V1613M1603-A1608 HydrophobicContact CB-CB 4.32Å; M1603-A1608 WeakPolarHBondContact O-CB 3.43Å; M1603-A1608 PolarHBondContact O-N 3.48Å; R1606-A1608 VanDerWaalsContact C-N 3.31Å; R1606-A1608 PolarHBondContact O-N 2.93Å; A1608-V1613 HydrophobicContact CB-CG2 4.16Å
1609P73.1Confident64.9Low73 Ų7392.9 Ų92.947%0.47448%0.483SS..  trans-65.7147.4-178.727-33.9000111.5S1611 E1612 V1613P1609-S1611 PolarHBondContact O-N 3.25Å; P1609-S1611 VanDerWaalsContact O-N 3.09Å; P1609-E1612 HydrophobicContact CG-CB 4.06Å; P1609-E1612 WeakPolarHBondContact O-CB 3.04Å; P1609-E1612 PolarHBondContact O-N 3.26Å; P1609-V1613 PolarHBondContact O-N 2.87Å
1610A58.3Low63.4Low72 Ų7297.8 Ų97.860%0.59550%0.496SS*.Hα-helixtrans-58.2-29.8-173.600000113.9E1612 N1614A1610-E1612 VanDerWaalsContact C-N 3.3Å; A1610-E1612 PolarHBondContact O-N 3.32Å; A1610-N1614 WeakPolarHBondContact O-CB 3.49Å; A1610-N1614 VanDerWaalsContact O-CG 3.25Å; A1610-N1614 PolarHBondContact O-N 2.86Å
1611S61.8Low61.4Low90 Ų9096.7 Ų96.763%0.62950%0.5SS*.Hα-helixtrans-62-34.3173.549.20000113.2P1609 R1615P1609-S1611 PolarHBondContact O-N 3.25Å; P1609-S1611 VanDerWaalsContact O-N 3.09Å; S1611-R1615 WeakPolarHBondContact O-CB 3.13Å; S1611-R1615 PolarHBondContact O-N 3.32Å
1612E59.9Low59.2Low114 Ų114100.8 Ų100.853%0.53351%0.513SS..Hα-helixtrans-80.9-41.1-179.5-166.4164.6-125.500111.3P1609 A1610 N1614 R1615 F1616P1609-E1612 HydrophobicContact CG-CB 4.06Å; P1609-E1612 WeakPolarHBondContact O-CB 3.04Å; P1609-E1612 PolarHBondContact O-N 3.26Å; A1610-E1612 VanDerWaalsContact C-N 3.3Å; A1610-E1612 PolarHBondContact O-N 3.32Å; E1612-N1614 PolarHBondContact O-N 2.97Å; E1612-R1615 PolarHBondContact O-N 2.89Å; E1612-F1616 PolarHBondContact O-N 2.84Å
1613V65.3Low57Low11 Ų11105.4 Ų105.47%0.06754%0.535CS..Hα-helixtrans-58.7-46.3172.5179.60000111.1Y1600 M1603 A1608 P1609 R1615 F1616 F1617Y1600-V1613 HydrophobicContact CD2-CG1 3.76Å; Y1600-V1613 HydrophobicContact CE2-CG1 3.75Å; M1603-V1613 HydrophobicContact CB-CG2 4.26Å; M1603-V1613 HydrophobicContact CE-CG1 4.39Å; A1608-V1613 HydrophobicContact CB-CG2 4.16Å; P1609-V1613 PolarHBondContact O-N 2.87Å; V1613-R1615 PolarHBondContact O-N 2.89Å; V1613-F1616 PolarHBondContact O-N 3.39Å; V1613-F1617 HydrophobicContact CG1-CD2 4.06Å; V1613-F1617 HydrophobicContact CG1-CE2 4.22Å; V1613-F1617 WeakPolarHBondContact O-CD2 3.18Å; V1613-F1617 PolarHBondContact O-N 3.42Å
1614N63.5Low54.9Low100 Ų100110.9 Ų110.954%0.53556%0.558SS.*Hα-helixtrans-61.3-44.5175.8-74.1-9.3000111.5A1610 E1612 F1616 F1617 I1618A1610-N1614 WeakPolarHBondContact O-CB 3.49Å; A1610-N1614 VanDerWaalsContact O-CG 3.25Å; A1610-N1614 PolarHBondContact O-N 2.86Å; E1612-N1614 PolarHBondContact O-N 2.97Å; N1614-F1616 PolarHBondContact O-N 3.32Å; N1614-F1617 PolarHBondContact O-N 3.45Å; N1614-I1618 HydrophobicContact CB-CD1 4.22Å; N1614-I1618 WeakPolarHBondContact O-CB 3.43Å; N1614-I1618 WeakPolarHBondContact O-CD1 3.06Å; N1614-I1618 WeakPolarHBondContact O-CG1 3.28Å; N1614-I1618 PolarHBondContact O-N 3.21Å
1615R63.7Low52.7Low213 Ų213109.1 Ų109.180%0.80456%0.555SS**Hα-helixtrans-63.9-24.2180-155.2176.1-160174.26.4113.3S1611 E1612 V1613S1611-R1615 WeakPolarHBondContact O-CB 3.13Å; S1611-R1615 PolarHBondContact O-N 3.32Å; E1612-R1615 PolarHBondContact O-N 2.89Å; V1613-R1615 PolarHBondContact O-N 2.89Å
1616F51.1Low50.4Low130 Ų130105.9 Ų105.957%0.5755%0.55SS**Hα-helixtrans-81.9-32.8177-139-83.3000113.4M1603 E1612 V1613 N1614M1603-F1616 HydrophobicContact CE-CB 4.13Å; M1603-F1616 HydrophobicContact CE-CD1 4.48Å; M1603-F1616 HydrophobicContact CE-CG 4.33Å; M1603-F1616 HydrophobicContact SD-CG 4.35Å; E1612-F1616 PolarHBondContact O-N 2.84Å; V1613-F1616 PolarHBondContact O-N 3.39Å; N1614-F1616 PolarHBondContact O-N 3.32Å
1617F47.8Very low47.9Very low35 Ų35103.2 Ų103.215%0.15455%0.552CS.*Hα-helixtrans-100.1-23.4-175.7-73.3-63.3000115.5V1596 A1599 Y1600 M1603 V1613 N1614 P1619 F1620 T1621V1596-F1617 HydrophobicContact CG1-CD1 4.31Å; V1596-F1617 HydrophobicContact CG1-CE1 3.85Å; A1599-F1617 HydrophobicContact CB-CZ 4.18Å; Y1600-F1617 HydrophobicContact CD2-CD2 4.36Å; Y1600-F1617 AromaticContact CD2-CE2 3.92Å; Y1600-F1617 HydrophobicContact CD2-CE2 3.92Å; Y1600-F1617 HydrophobicContact CG-CE2 4.39Å; M1603-F1617 HydrophobicContact CE-CD2 4.05Å; M1603-F1617 HydrophobicContact CE-CE2 3.28Å; M1603-F1617 HydrophobicContact CE-CZ 3.79Å; V1613-F1617 HydrophobicContact CG1-CD2 4.06Å; V1613-F1617 HydrophobicContact CG1-CE2 4.22Å; V1613-F1617 WeakPolarHBondContact O-CD2 3.18Å; V1613-F1617 PolarHBondContact O-N 3.42Å; N1614-F1617 PolarHBondContact O-N 3.45Å; F1617-P1619 VanDerWaalsContact C-CD 3.42Å; F1617-P1619 VanDerWaalsContact C-N 3.29Å; F1617-F1620 PolarHBondContact O-N 3.2Å; F1617-T1621 PolarHBondContact O-N 3.15Å
1618I43.2Very low46.2Very low95 Ų95106.3 Ų106.349%0.48755%0.552SS.*Hα-helixtrans-51-40.5174.4-75.8163.6000113.2N1614 F1620 T1621N1614-I1618 HydrophobicContact CB-CD1 4.22Å; N1614-I1618 WeakPolarHBondContact O-CB 3.43Å; N1614-I1618 WeakPolarHBondContact O-CD1 3.06Å; N1614-I1618 WeakPolarHBondContact O-CG1 3.28Å; N1614-I1618 PolarHBondContact O-N 3.21Å; I1618-F1620 PolarHBondContact O-N 3.46Å; I1618-T1621 PolarHBondContact O-N 2.81Å; I1618-T1621 PolarHBondContact O-OG1 3.08Å
1619P36.1Very low44.2Very low85 Ų85118.1 Ų118.155%0.55260%0.598SS**Hα-helixtrans-67.2-14.3175.7-21.734.6000115.3F1617F1617-P1619 VanDerWaalsContact C-CD 3.42Å; F1617-P1619 VanDerWaalsContact C-N 3.29Å
1620F37.3Very low42.8Very low146 Ų146120.4 Ų120.464%0.6460%0.604SS**Hα-helixtrans-99.8-18.8179.4-77.7-85.2000113.4F1617 I1618F1617-F1620 PolarHBondContact O-N 3.2Å; I1618-F1620 PolarHBondContact O-N 3.46Å
1621T37Very low42Very low73 Ų73122.9 Ų122.945%0.44861%0.605SS.*Hα-helixtrans-92.9-27.4-178.652.40000113.8F1617 I1618F1617-T1621 PolarHBondContact O-N 3.15Å; I1618-T1621 PolarHBondContact O-N 2.81Å; I1618-T1621 PolarHBondContact O-OG1 3.08Å
1622F31.3Very low40.9Very low145 Ų145124.7 Ų124.764%0.63660%0.604SS**Hα-helixtrans-80.6-36.6-176.4-101.6-93.8000114.9K1624 S1626F1622-K1624 VanDerWaalsContact C-N 3.31Å; F1622-K1624 PolarHBondContact O-N 2.77Å; F1622-S1626 PolarHBondContact O-OG 3.5Å; F1622-S1626 VanDerWaalsContact O-OG 3.08Å
1623D33.3Very low39.8Very low154 Ų154125.4 Ų125.482%0.82461%0.608SS**Hα-helixtrans-83.24.7-174.9-87.2-11.2000115
1624K30.6Very low38.2Very low152 Ų152132.5 Ų132.566%0.66164%0.642SS**Hα-helixtrans-131.8-6.7-177.7-79.2-165.5173.8-1710116.8F1622F1622-K1624 VanDerWaalsContact C-N 3.31Å; F1622-K1624 PolarHBondContact O-N 2.77Å
1625F26.2Very low36.5Very low137 Ų137134.7 Ų134.760%0.60165%0.649SS**Hα-helixtrans-112.7-8.7179.5-84.7-83.8000114.9N1627 I1628F1625-N1627 PolarHBondContact O-N 2.83Å; F1625-I1628 PolarHBondContact O-N 3.22Å
1626S30.2Very low34.5Very low89 Ų89129.1 Ų129.162%0.62264%0.638SS**THydrogen-bonded Turntrans-7531.2-176.6-55.40000115.8F1622F1622-S1626 PolarHBondContact O-OG 3.5Å; F1622-S1626 VanDerWaalsContact O-OG 3.08Å
1627N26.5Very low33.3Very low160 Ų160129 Ų12986%0.85664%0.643SS**THydrogen-bonded Turntrans-135.514176.2-87.1-31000112.6F1625F1625-N1627 PolarHBondContact O-N 2.83Å
1628I26.2Very low32.1Very low129 Ų129136.8 Ų136.866%0.66268%0.684SS**  trans-135.142.6174.8-39-179.4000110.5F1625F1625-I1628 PolarHBondContact O-N 3.22Å
1629F26.8Very low31Very low277 Ų277140.6 Ų140.6100%1.21570%0.701SS**  trans-157.40164.1-97.3-68.2000109.3

Retrieved 1,629 of 1,629 residues in 2036.9 ms (Link to these results)

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