X2JE21_DROME Loading...

Mind-meld, isoform J

AlphaFold DB , UniProt , Accession X2JE21, Species DROME (Drosophila melanogaster, Fruit fly), Gene mmd, Length 1,484 aa.

>X2JE21_DROME|X2JE21|mmd
MWINIANLILIIAQLCVFVTSAGEADYTLDDSFWNEESPVGEVERLLKEYRQNQELVRRIGGHYYQIIYPVQLRHHEKMGISTREVSLPKPGQRPRPHDDSGFNRGRTKKHFHRTSLLIKAFNHKFRLDLELNSQLLSPNIQQKHYHVGGYLVDGNRHDIEHCYYHGTVKDYPGASAAFHTCNGVSGVIHIGNETFVIHPFYGGDLSKHPHVIFEARTKANKGCANSGNLDSWRLSRRTKHLSAGVAGVVEEILQAGVGRNKRDVREATKYIETAIIVDKAMFDKRNGSTRAEVIHDAIQVANIADLYFRTLNTRVSVVYIETWGKNQAVIDGSKDISKAISNFNDYTSRNLFQIERDTTQLLTGETFAGGEAGMAVPETVCTPRAVGISVDVNVYEPHLLAGTMAHMIGHNIGMGHDDGREECFCRDWHGCIMAQSIVGQENVQPYKFSECSKKDYIDALRTGHGLCLLNKPNEIELRRNCGNKVVEEDEECDCGTFEECALDQCCDGITCKLKSEAQCASGACCDQCRLRPKDYICRDSNNECDLPEYCDGEIGQCPSDVFKKNGSPCGLSKTGISGYCFQGYCPTLSLQCEAIWGYGGSAADRQCYEQFNSKGSINGHCGRDANEHYIKCEPENVQCGTLQCKDGERQPVNDGIDQLYSRTIISIKGQEFECKATSGQVGSNSYPEHGLVKDGTPCGDNLICLNQTCVSLFPHVDQTKCPANSQGLECSEHGVCTNTNRCFCDMGWGGNDCSSVVLLTTALPTEALPTPENTIKMEKKETPYGTSDQNRISTLTMVIILTVIVKCVFISFATLAVCYRRKTTTLKYDPPYSKKPIAKSYGGAATAPNHHSVEEVSLDGSSKLVYANQTGFRDKGIHGRRYTTCGEDDQSHAEKGILKKHGYGLVHGEQLKDKWGDDNQSDNLELITQDGTLASTSGGAAASEVERTLKSLNGYHEDILEALRNAATHRGTGTGNTPVGSGSLSEEMLRKTLQDCNNSQLGYSAEQYKRNIGSKSSSRENICDNAAVHAIILDGSGGGLGGMGLGSSVGAGGGSTSMSGGMPGHGGTMLHHHRSQHQLHQPSTVALQPQQLDDDDAPSTGPLRIRNLEDLIRQLEHHSSRHMSPSGSEDIRMSETEADRHYRLESSAACSESSQGSNQQIPQSQKTATIHASYSRSCRPRSDEESRFTFGGRYRQPASSGRHAPHQSHSPHAFGHHTHHSHAHGHATHGPHSSHHSSHTHLQQEDEGIYETADHHERQVVDARLDCHETPDSESDDFIQAQQQLARWASEDVVSVVVLDQPPSGTMSDSQPYIDVGPISGAIAQQQHPHQQQQQQQQQQHPHQHHGDHHQSSAAAAGSGSGVAAATSVANSSIMALPIVPNGISVSQRDYYPSPPSTETESSGSVIQPPIRRGLQSAAAAAAAADTAALSQHQQQLQLLQLPIYQQHPHQHHHPQQSGDTSSSNNSQSEQIIENGCYPEYKH
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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
1M55.4Low75.7Confident167 Ų167113.5 Ų113.582%0.82357%0.574SS**  0-74.70-154.9174110.100111.8I3 N4 I5M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 2.91Å; M1-N4 PolarHBondContact N-OD1 2.65Å; M1-N4 WeakPolarHBondContact O-CA 3.39Å; M1-N4 WeakPolarHBondContact O-CB 3.19Å; M1-N4 PolarHBondContact O-N 2.92Å; M1-I5 HydrophobicContact CE-CD1 4.16Å; M1-I5 HydrophobicContact CG-CD1 4.05Å; M1-I5 PolarHBondContact O-N 3.01Å
2W65.8Low75.8Confident218 Ų218111.5 Ų111.583%0.82656%0.564SS**Hα-helixtrans-51.9-44.5-178.8-7685.9000114.2N4 I5 A6W2-N4 PolarHBondContact O-N 2.74Å; W2-I5 PolarHBondContact O-N 3.15Å; W2-A6 PolarHBondContact O-N 3.38Å
3I78.5Confident75.8Confident126 Ų126106.8 Ų106.865%0.64655%0.553SS**Hα-helixtrans-61.6-42.6176-63.1170.3000111.6M1 I5 A6 N7M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 2.91Å; I3-I5 VanDerWaalsContact C-N 3.32Å; I3-I5 PolarHBondContact O-N 3.02Å; I3-A6 PolarHBondContact O-N 3.08Å; I3-N7 PolarHBondContact O-N 3.08Å
4N75.7Confident75.7Confident112 Ų112106.6 Ų106.660%0.59955%0.549SS*.Hα-helixtrans-65.3-36.3177.5-48.354000111.6M1 W2 L8M1-N4 PolarHBondContact N-OD1 2.65Å; M1-N4 WeakPolarHBondContact O-CA 3.39Å; M1-N4 WeakPolarHBondContact O-CB 3.19Å; M1-N4 PolarHBondContact O-N 2.92Å; W2-N4 PolarHBondContact O-N 2.74Å; N4-L8 VanDerWaalsContact O-CB 3.3Å; N4-L8 WeakPolarHBondContact O-CB 3.42Å; N4-L8 PolarHBondContact O-N 2.92Å
5I78.7Confident75.2Confident76 Ų76106.4 Ų106.439%0.3955%0.548SS..Hα-helixtrans-66.9-43.2174.4-65.8167.1000110.1M1 W2 I3 L8 I9M1-I5 HydrophobicContact CE-CD1 4.16Å; M1-I5 HydrophobicContact CG-CD1 4.05Å; M1-I5 PolarHBondContact O-N 3.01Å; W2-I5 PolarHBondContact O-N 3.15Å; I3-I5 VanDerWaalsContact C-N 3.32Å; I3-I5 PolarHBondContact O-N 3.02Å; I5-L8 PolarHBondContact O-N 3.17Å; I5-I9 HydrophobicContact CG2-CD1 3.83Å; I5-I9 WeakPolarHBondContact O-CB 3.22Å; I5-I9 VanDerWaalsContact O-CG1 3.26Å; I5-I9 WeakPolarHBondContact O-CG1 3.48Å; I5-I9 PolarHBondContact O-N 3.39Å
6A79.5Confident74.5Confident54 Ų54104.3 Ų104.345%0.44654%0.544SS..Hα-helixtrans-61.6-45.7175.400000112W2 I3 L8 I9 L10W2-A6 PolarHBondContact O-N 3.38Å; I3-A6 PolarHBondContact O-N 3.08Å; A6-L8 PolarHBondContact O-N 3.3Å; A6-I9 PolarHBondContact O-N 2.94Å; A6-L10 WeakPolarHBondContact O-CB 3.4Å; A6-L10 PolarHBondContact O-N 3.07Å
7N79.5Confident73.8Confident95 Ų95103.4 Ų103.451%0.50854%0.544SS..Hα-helixtrans-63.4-40.6175.5-73.33.6000112I3 L10 I11I3-N7 PolarHBondContact O-N 3.08Å; N7-L10 PolarHBondContact O-N 2.94Å; N7-I11 WeakPolarHBondContact O-CB 3.32Å; N7-I11 VanDerWaalsContact O-CG1 3.28Å; N7-I11 WeakPolarHBondContact O-CG1 3.06Å; N7-I11 PolarHBondContact O-N 2.99Å
8L78.2Confident72.6Confident102 Ų102105.3 Ų105.353%0.53455%0.547SS..Hα-helixtrans-63.7-42.3176.3-175.565.3000111.6N4 I5 A6 L10 I11 I12N4-L8 VanDerWaalsContact O-CB 3.3Å; N4-L8 WeakPolarHBondContact O-CB 3.42Å; N4-L8 PolarHBondContact O-N 2.92Å; I5-L8 PolarHBondContact O-N 3.17Å; A6-L8 PolarHBondContact O-N 3.3Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 2.85Å; L8-I11 PolarHBondContact O-N 3.45Å; L8-I12 HydrophobicContact CD1-CD1 4.27Å; L8-I12 HydrophobicContact CG-CD1 3.97Å; L8-I12 WeakPolarHBondContact O-CB 3.45Å; L8-I12 VanDerWaalsContact O-CG1 3.25Å; L8-I12 WeakPolarHBondContact O-CG1 3.36Å; L8-I12 PolarHBondContact O-N 3.17Å
9I81.6Confident71.5Confident108 Ų108104.3 Ų104.355%0.55455%0.546SS*.Hα-helixtrans-62.7-38.8173.6-69.8166.7000110.9I5 A6 I12 A13I5-I9 HydrophobicContact CG2-CD1 3.83Å; I5-I9 WeakPolarHBondContact O-CB 3.22Å; I5-I9 VanDerWaalsContact O-CG1 3.26Å; I5-I9 WeakPolarHBondContact O-CG1 3.48Å; I5-I9 PolarHBondContact O-N 3.39Å; A6-I9 PolarHBondContact O-N 2.94Å; I9-I12 PolarHBondContact O-N 2.91Å; I9-A13 VanDerWaalsContact O-CB 3.26Å; I9-A13 WeakPolarHBondContact O-CB 3.05Å; I9-A13 PolarHBondContact O-N 2.89Å
10L80.2Confident70.3Confident103 Ų103104.9 Ų104.954%0.53956%0.555SS.*Hα-helixtrans-70-39179.1-157.5121.6000112.2A6 N7 L8 A13 Q14A6-L10 WeakPolarHBondContact O-CB 3.4Å; A6-L10 PolarHBondContact O-N 3.07Å; N7-L10 PolarHBondContact O-N 2.94Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 2.85Å; L10-A13 PolarHBondContact O-N 3.43Å; L10-Q14 WeakPolarHBondContact O-CB 3.33Å; L10-Q14 WeakPolarHBondContact O-CG 3.37Å; L10-Q14 PolarHBondContact O-N 2.87Å
11I79.8Confident69.1Low88 Ų88104 Ų10445%0.45156%0.557SS.*Hα-helixtrans-65.3-44.9173-69.4163000110.6N7 L8 A13 Q14 L15N7-I11 WeakPolarHBondContact O-CB 3.32Å; N7-I11 VanDerWaalsContact O-CG1 3.28Å; N7-I11 WeakPolarHBondContact O-CG1 3.06Å; N7-I11 PolarHBondContact O-N 2.99Å; L8-I11 PolarHBondContact O-N 3.45Å; I11-A13 VanDerWaalsContact C-N 3.32Å; I11-A13 PolarHBondContact O-N 2.04Å; I11-Q14 PolarHBondContact O-N 2.81Å; I11-L15 HydrophobicContact CG2-CD1 3.91Å; I11-L15 HydrophobicContact CG2-CG 4.47Å; I11-L15 WeakPolarHBondContact O-CB 3.22Å; I11-L15 WeakPolarHBondContact O-CG 3.42Å; I11-L15 PolarHBondContact O-N 3.41Å
12I77.2Confident68.3Low89 Ų89100.1 Ų100.146%0.45655%0.551SS.*Hα-helixtrans-63.5-39.3175.1-69.2166.9000110.7L8 I9 L15 C16L8-I12 HydrophobicContact CD1-CD1 4.27Å; L8-I12 HydrophobicContact CG-CD1 3.97Å; L8-I12 WeakPolarHBondContact O-CB 3.45Å; L8-I12 VanDerWaalsContact O-CG1 3.25Å; L8-I12 WeakPolarHBondContact O-CG1 3.36Å; L8-I12 PolarHBondContact O-N 3.17Å; I9-I12 PolarHBondContact O-N 2.91Å; I12-L15 PolarHBondContact O-N 3.48Å; I12-C16 VanDerWaalsContact O-CB 3.31Å; I12-C16 WeakPolarHBondContact O-CB 3.31Å; I12-C16 PolarHBondContact O-N 3.12Å; I12-C16 PolarHBondContact O-SG 3.1Å
13A74.9Confident66.7Low51 Ų5192.8 Ų92.842%0.42154%0.544SS..Hα-helixtrans-64.8-42.3175.700000112.1I9 L10 I11 C16 V17I9-A13 VanDerWaalsContact O-CB 3.26Å; I9-A13 WeakPolarHBondContact O-CB 3.05Å; I9-A13 PolarHBondContact O-N 2.89Å; L10-A13 PolarHBondContact O-N 3.43Å; I11-A13 VanDerWaalsContact C-N 3.32Å; I11-A13 PolarHBondContact O-N 2.04Å; A13-C16 PolarHBondContact O-N 2.74Å; A13-V17 WeakPolarHBondContact O-CG2 3.43Å; A13-V17 PolarHBondContact O-N 2.03Å
14Q74.4Confident64.6Low104 Ų10495.7 Ų95.749%0.48655%0.554SS.*Hα-helixtrans-64.1-47.1174.1-76.5178.1-24.600111.7L10 I11 C16 V17 F18L10-Q14 WeakPolarHBondContact O-CB 3.33Å; L10-Q14 WeakPolarHBondContact O-CG 3.37Å; L10-Q14 PolarHBondContact O-N 2.87Å; I11-Q14 PolarHBondContact O-N 2.81Å; Q14-C16 VanDerWaalsContact C-N 3.34Å; Q14-C16 PolarHBondContact O-N 3.49Å; Q14-V17 PolarHBondContact O-N 3.38Å; Q14-V17 VanDerWaalsContact O-N 3.14Å; Q14-F18 HydrophobicContact CB-CD2 4.5Å; Q14-F18 HydrophobicContact CB-CE2 4.44Å; Q14-F18 WeakPolarHBondContact O-CD2 3.35Å; Q14-F18 PolarHBondContact O-N 2.98Å
15L68.2Low62.6Low103 Ų10394 Ų9454%0.53956%0.556SS.*Hα-helixtrans-59.2-43.2175.2-74.7168.6000111.8I11 I12 F18 V19I11-L15 HydrophobicContact CG2-CD1 3.91Å; I11-L15 HydrophobicContact CG2-CG 4.47Å; I11-L15 WeakPolarHBondContact O-CB 3.22Å; I11-L15 WeakPolarHBondContact O-CG 3.42Å; I11-L15 PolarHBondContact O-N 3.41Å; I12-L15 PolarHBondContact O-N 3.48Å; L15-F18 PolarHBondContact O-N 2.87Å; L15-V19 WeakPolarHBondContact O-CB 3.05Å; L15-V19 VanDerWaalsContact O-CG2 3.24Å; L15-V19 WeakPolarHBondContact O-CG2 3.3Å; L15-V19 PolarHBondContact O-N 3.35Å
16C64Low60.6Low72 Ų7296.6 Ų96.649%0.48657%0.571SS.*Hα-helixtrans-60.9-44.2173.1-76.10000111.9I12 A13 Q14 V19 T20I12-C16 VanDerWaalsContact O-CB 3.31Å; I12-C16 WeakPolarHBondContact O-CB 3.31Å; I12-C16 PolarHBondContact O-N 3.12Å; I12-C16 PolarHBondContact O-SG 3.1Å; A13-C16 PolarHBondContact O-N 2.74Å; Q14-C16 VanDerWaalsContact C-N 3.34Å; Q14-C16 PolarHBondContact O-N 3.49Å; C16-V19 PolarHBondContact O-N 2.03Å; C16-T20 WeakPolarHBondContact O-CB 3.35Å; C16-T20 WeakPolarHBondContact O-CG2 3.04Å; C16-T20 PolarHBondContact O-N 3.07Å; C16-T20 PolarHBondContact O-OG1 2.69Å
17V63.2Low58.7Low90 Ų9099.8 Ų99.855%0.54557%0.572SS.*Hα-helixtrans-60.5-48.8176.5167.50000110.8A13 Q14 V19 T20 S21A13-V17 WeakPolarHBondContact O-CG2 3.43Å; A13-V17 PolarHBondContact O-N 2.03Å; Q14-V17 PolarHBondContact O-N 3.38Å; Q14-V17 VanDerWaalsContact O-N 3.14Å; V17-V19 PolarHBondContact O-N 3.25Å; V17-T20 WeakPolarHBondContact CA-OG1 3.45Å; V17-T20 CarbonylContact O-C 3.23Å; V17-T20 PolarHBondContact O-N 2.95Å; V17-T20 VanDerWaalsContact O-N 3.13Å; V17-T20 PolarHBondContact O-OG1 3.28Å; V17-S21 PolarHBondContact O-N 3.3Å; V17-S21 PolarHBondContact O-OG 2.93Å
18F52.8Low56.8Low137 Ų137100.9 Ų100.960%0.60158%0.582SS**Hα-helixtrans-62.2-40.9177.6-75-62.6000112.8Q14 L15 T20 S21 A22Q14-F18 HydrophobicContact CB-CD2 4.5Å; Q14-F18 HydrophobicContact CB-CE2 4.44Å; Q14-F18 WeakPolarHBondContact O-CD2 3.35Å; Q14-F18 PolarHBondContact O-N 2.98Å; L15-F18 PolarHBondContact O-N 2.87Å; F18-T20 VanDerWaalsContact C-N 3.32Å; F18-T20 PolarHBondContact O-N 3.42Å; F18-S21 WeakPolarHBondContact CA-OG 3.06Å; F18-S21 PolarHBondContact O-N 2.89Å; F18-S21 PolarHBondContact O-OG 2.83Å; F18-S21 VanDerWaalsContact O-OG 3.1Å; F18-A22 VanDerWaalsContact O-CB 3.29Å; F18-A22 WeakPolarHBondContact O-CB 3.41Å; F18-A22 PolarHBondContact O-N 2.84Å
19V51.1Low55.2Low86 Ų8699.5 Ų99.552%0.52158%0.575SS.*Hα-helixtrans-69.5-26.7174.9171.30000112.2L15 C16 V17L15-V19 WeakPolarHBondContact O-CB 3.05Å; L15-V19 VanDerWaalsContact O-CG2 3.24Å; L15-V19 WeakPolarHBondContact O-CG2 3.3Å; L15-V19 PolarHBondContact O-N 3.35Å; C16-V19 PolarHBondContact O-N 2.03Å; V17-V19 PolarHBondContact O-N 3.25Å
20T47.7Very low53.3Low117 Ų11799.6 Ų99.672%0.71858%0.577SS**Hα-helixtrans-83.1-16.1170.954.70000114.5C16 V17 F18C16-T20 WeakPolarHBondContact O-CB 3.35Å; C16-T20 WeakPolarHBondContact O-CG2 3.04Å; C16-T20 PolarHBondContact O-N 3.07Å; C16-T20 PolarHBondContact O-OG1 2.69Å; V17-T20 WeakPolarHBondContact CA-OG1 3.45Å; V17-T20 CarbonylContact O-C 3.23Å; V17-T20 PolarHBondContact O-N 2.95Å; V17-T20 VanDerWaalsContact O-N 3.13Å; V17-T20 PolarHBondContact O-OG1 3.28Å; F18-T20 VanDerWaalsContact C-N 3.32Å; F18-T20 PolarHBondContact O-N 3.42Å
21S44.3Very low51.7Low87 Ų8799.5 Ų99.561%0.60858%0.577SS**Hα-helixtrans-98.4-10.8173.659.90000114V17 F18V17-S21 PolarHBondContact O-N 3.3Å; V17-S21 PolarHBondContact O-OG 2.93Å; F18-S21 WeakPolarHBondContact CA-OG 3.06Å; F18-S21 PolarHBondContact O-N 2.89Å; F18-S21 PolarHBondContact O-OG 2.83Å; F18-S21 VanDerWaalsContact O-OG 3.1Å
22A39.3Very low50.1Low84 Ų8498.5 Ų98.569%0.69458%0.578SS**SBendtrans-115.361178.200000111F18F18-A22 VanDerWaalsContact O-CB 3.29Å; F18-A22 WeakPolarHBondContact O-CB 3.41Å; F18-A22 PolarHBondContact O-N 2.84Å
23G32.5Very low48.5Very low65 Ų6595.8 Ų95.867%0.6756%0.563SS**SBendtrans-159.13.6-177.700000116.6
24E33.1Very low47.5Very low186 Ų18696.9 Ų96.987%0.86956%0.556SS**  trans-149.657.4-176-148.5153.6-140.100110.5D26E24-D26 PolarHBondContact O-N 3.48Å
25A34.8Very low46.1Very low78 Ų7897.3 Ų97.365%0.64556%0.562SS**  trans-74.478.517100000109.2Y27A25-Y27 HydrophobicContact CB-CE2 4.46Å; A25-Y27 WeakPolarHBondContact O-CD2 3.08Å; A25-Y27 WeakPolarHBondContact O-CE2 3.38Å; A25-Y27 PolarHBondContact O-N 3.36Å
26D35.5Very low45.3Very low130 Ų13098.9 Ų98.970%0.69557%0.566SS**  trans-65.7115.3-178.3-166.76000110.3E24 T28E24-D26 PolarHBondContact O-N 3.48Å; D26-T28 PolarHBondContact O-N 2.97Å
27Y40.3Very low44.6Very low121 Ų121104.1 Ų104.148%0.47558%0.583SS.*  trans-82.466.3-171.9-75.8-90.8000111A25 L29A25-Y27 HydrophobicContact CB-CE2 4.46Å; A25-Y27 WeakPolarHBondContact O-CD2 3.08Å; A25-Y27 WeakPolarHBondContact O-CE2 3.38Å; A25-Y27 PolarHBondContact O-N 3.36Å; Y27-L29 PolarHBondContact O-N 3.34Å
28T39.1Very low44.3Very low117 Ų117102.7 Ų102.772%0.71858%0.578SS**  trans-69.862.8169.647.80000111.1D26 D30D26-T28 PolarHBondContact O-N 2.97Å; T28-D30 VanDerWaalsContact C-N 3.33Å; T28-D30 PolarHBondContact O-N 3.05Å
29L45.1Very low44.6Very low73 Ų7399.4 Ų99.438%0.38257%0.57SS.*  trans-60.299.2162.7-89.4171.5000108.2Y27 F33 L118Y27-L29 PolarHBondContact O-N 3.34Å; L29-F33 HydrophobicContact CD2-CD2 3.79Å; L29-F33 HydrophobicContact CD2-CE2 3.96Å; L29-L118 HydrophobicContact CD1-CD2 4.37Å
30D40.9Very low45Very low111 Ų11198.3 Ų98.359%0.59456%0.564SS**  trans-49.5139-178.8-177.231000111.8T28 S32 F33T28-D30 VanDerWaalsContact C-N 3.33Å; T28-D30 PolarHBondContact O-N 3.05Å; D30-S32 VanDerWaalsContact CG-OG 3.26Å; D30-S32 PolarHBondContact O-N 2.91Å; D30-S32 VanDerWaalsContact O-N 3.13Å; D30-S32 VanDerWaalsContact OD2-CB 3.3Å; D30-S32 WeakPolarHBondContact OD2-CB 3.29Å; D30-S32 PolarHBondContact OD2-OG 2.81Å; D30-F33 WeakPolarHBondContact O-CB 3.04Å; D30-F33 PolarHBondContact O-N 2.95Å
31D47.6Very low46.1Very low100 Ų10095 Ų9554%0.53555%0.552SS.*G310 helixtrans-69.7-15.7-169.9-112.4-31.9000112.6F33 W34 K120D31-F33 PolarHBondContact O-N 2.92Å; D31-F33 VanDerWaalsContact O-N 3.12Å; D31-W34 PolarHBondContact O-N 2.77Å; D31-K120 IonicContact OD1-NZ 2.61Å; D31-K120 PolarHBondContact OD1-NZ 2.96Å
32S45.5Very low47.6Very low68 Ų6893.1 Ų93.148%0.47653%0.534SS..G310 helixtrans-50.6-27.5165.565.30000113.7D30 W34 N35D30-S32 VanDerWaalsContact CG-OG 3.26Å; D30-S32 PolarHBondContact O-N 2.91Å; D30-S32 VanDerWaalsContact O-N 3.13Å; D30-S32 VanDerWaalsContact OD2-CB 3.3Å; D30-S32 WeakPolarHBondContact OD2-CB 3.29Å; D30-S32 PolarHBondContact OD2-OG 2.81Å; S32-W34 PolarHBondContact O-N 3.05Å; S32-N35 PolarHBondContact O-N 3.27Å
33F43.9Very low49.5Very low32 Ų3289.6 Ų89.614%0.1450%0.504CS..G310 helixtrans-52.3-27.8176.4-179-77.6000114L29 D30 D31 V71 K78L29-F33 HydrophobicContact CD2-CD2 3.79Å; L29-F33 HydrophobicContact CD2-CE2 3.96Å; D30-F33 WeakPolarHBondContact O-CB 3.04Å; D30-F33 PolarHBondContact O-N 2.95Å; D31-F33 PolarHBondContact O-N 2.92Å; D31-F33 VanDerWaalsContact O-N 3.12Å; F33-V71 HydrophobicContact CZ-CG1 4.48Å; F33-K78 HydrophobicContact CE2-CD 3.75Å; F33-K78 HydrophobicContact CE2-CG 4.09Å; F33-K78 HydrophobicContact CZ-CD 3.69Å; F33-K78 HydrophobicContact CZ-CG 4.17Å
34W53.2Low51.7Low73 Ų7390 Ų9028%0.27749%0.488SS..G310 helixtrans-98.80.3-176.2-59.294.9000114.1D31 S32 L118 K120D31-W34 PolarHBondContact O-N 2.77Å; S32-W34 PolarHBondContact O-N 3.05Å; W34-L118 HydrophobicContact CH2-CD2 4.41Å; W34-L118 HydrophobicContact CH2-CG 4.4Å; W34-L118 HydrophobicContact CZ2-CD2 3.91Å; W34-L118 HydrophobicContact CZ2-CG 4.21Å; W34-K120 HydrophobicContact CD2-CB 4.32Å; W34-K120 HydrophobicContact CD2-CD 3.7Å; W34-K120 HydrophobicContact CE3-CB 4.31Å; W34-K120 HydrophobicContact CE3-CD 4.38Å; W34-K120 HydrophobicContact CG-CD 3.84Å; W34-K120 HydrophobicContact CH2-CB 3.77Å; W34-K120 HydrophobicContact CZ2-CB 3.77Å; W34-K120 HydrophobicContact CZ2-CD 4.14Å; W34-K120 HydrophobicContact CZ3-CB 4.05Å
35N45.8Very low54.1Low114 Ų11485.6 Ų85.661%0.6146%0.463SS*.  trans-96.47.4-174.8-68.5-8.8000114.1S32 E37S32-N35 PolarHBondContact O-N 3.27Å; N35-E37 PolarHBondContact O-N 2.89Å
36E51.1Low56.4Low135 Ų13581.9 Ų81.963%0.63143%0.433SS*.SBendtrans-65.7122.9160.9-72-167.6147.500108.6S38E36-S38 PolarHBondContact O-N 3.22Å
37E50.4Low58.6Low182 Ų18276.5 Ų76.585%0.8540%0.404SS*.  trans-56.9115.2-177.6-68.9-172115.100111.2N35N35-E37 PolarHBondContact O-N 2.89Å
38S55.4Low60.6Low61 Ų6179.4 Ų79.443%0.42742%0.419SS..  trans-59.4127.3166.6-68.40000108.4E36 V40 Y69E36-S38 PolarHBondContact O-N 3.22Å; S38-V40 WeakPolarHBondContact O-CG2 3.36Å; S38-V40 PolarHBondContact O-N 2.84Å; S38-Y69 WeakPolarHBondContact OG-CE2 3.42Å
39P59.4Low62.6Low68 Ų6878.8 Ų78.844%0.44241%0.408SS..  trans-68.692.6-174.726.7-34000110.3G41 E42P39-G41 PolarHBondContact O-N 2.8Å; P39-G41 VanDerWaalsContact O-N 3.15Å; P39-E42 HydrophobicContact CB-CB 4.27Å; P39-E42 HydrophobicContact CG-CB 4.12Å; P39-E42 WeakPolarHBondContact O-CB 3.23Å; P39-E42 PolarHBondContact O-N 2.04Å
40V60.9Low64.2Low63 Ų6378.8 Ų78.838%0.38240%0.404SS..Hα-helixtrans-51.8-41.8-174.6-175.80000111.5S38 E42 V43 E44 L1116S38-V40 WeakPolarHBondContact O-CG2 3.36Å; S38-V40 PolarHBondContact O-N 2.84Å; V40-E42 VanDerWaalsContact C-N 3.3Å; V40-E42 PolarHBondContact O-N 3.39Å; V40-V43 PolarHBondContact O-N 2.76Å; V40-E44 PolarHBondContact O-N 3.14Å; V40-L1116 HydrophobicContact CG1-CD2 3.3Å
41G69.9Low66.1Low46 Ų4683.2 Ų83.247%0.47441%0.412SS..Hα-helixtrans-66-18.8176.800000115.8P39 R45P39-G41 PolarHBondContact O-N 2.8Å; P39-G41 VanDerWaalsContact O-N 3.15Å; G41-R45 VanDerWaalsContact O-CB 3.25Å; G41-R45 WeakPolarHBondContact O-CB 3.34Å; G41-R45 PolarHBondContact O-N 2.86Å
42E76.8Confident67.6Low48 Ų4880.9 Ų80.922%0.22440%0.398CS..Hα-helixtrans-76-42.1173.2176145.3-124.400111.5P39 V40 E44 R45 L46P39-E42 HydrophobicContact CB-CB 4.27Å; P39-E42 HydrophobicContact CG-CB 4.12Å; P39-E42 WeakPolarHBondContact O-CB 3.23Å; P39-E42 PolarHBondContact O-N 2.04Å; V40-E42 VanDerWaalsContact C-N 3.3Å; V40-E42 PolarHBondContact O-N 3.39Å; E42-E44 VanDerWaalsContact C-N 3.32Å; E42-E44 PolarHBondContact O-N 3.16Å; E42-R45 WeakPolarHBondContact O-CB 3.35Å; E42-R45 PolarHBondContact O-N 3.38Å; E42-R45 IonicContact OE1-CZ 3.88Å; E42-R45 IonicContact OE1-NH2 2.74Å; E42-R45 PolarHBondContact OE1-NH2 2.84Å; E42-L46 HydrophobicContact CG-CD1 3.92Å; E42-L46 HydrophobicContact CG-CG 4.27Å; E42-L46 WeakPolarHBondContact O-CB 3.14Å; E42-L46 WeakPolarHBondContact O-CG 3.47Å; E42-L46 PolarHBondContact O-N 3.13Å
43V78.1Confident69.4Low11 Ų1177.6 Ų77.67%0.06738%0.375CS..Hα-helixtrans-61.3-44.6173.8173.40000110.3V40 R45 L46 L47 I67 Y69V40-V43 PolarHBondContact O-N 2.76Å; V43-R45 PolarHBondContact O-N 2.83Å; V43-L46 PolarHBondContact O-N 2.92Å; V43-L47 HydrophobicContact CG1-CD1 3.89Å; V43-L47 WeakPolarHBondContact O-CB 3.38Å; V43-L47 WeakPolarHBondContact O-CG 3.41Å; V43-L47 PolarHBondContact O-N 2.82Å; V43-I67 HydrophobicContact CG1-CD1 3.52Å; V43-I67 HydrophobicContact CG2-CG2 4.18Å; V43-Y69 WeakPolarHBondContact CG2-OH 3.38Å
44E78.8Confident71.2Confident72 Ų7280.3 Ų80.334%0.33639%0.388SS..Hα-helixtrans-57.5-46.4172.3-74.5174.8-151.900112.4V40 E42 K48 L1116V40-E44 PolarHBondContact O-N 3.14Å; E42-E44 VanDerWaalsContact C-N 3.32Å; E42-E44 PolarHBondContact O-N 3.16Å; E44-K48 WeakPolarHBondContact O-CB 3.39Å; E44-K48 PolarHBondContact O-N 3.41Å; E44-L1116 HydrophobicContact CG-CD1 3.89Å; E44-L1116 HydrophobicContact CG-CD2 4.25Å; E44-L1116 HydrophobicContact CG-CG 4.46Å
45R83.2Confident72.5Confident94 Ų9478.8 Ų78.836%0.35538%0.384SS..Hα-helixtrans-59-52176.9-179.2-175.769.285-6.6111G41 E42 V43 L47 K48 E49G41-R45 VanDerWaalsContact O-CB 3.25Å; G41-R45 WeakPolarHBondContact O-CB 3.34Å; G41-R45 PolarHBondContact O-N 2.86Å; E42-R45 WeakPolarHBondContact O-CB 3.35Å; E42-R45 PolarHBondContact O-N 3.38Å; E42-R45 IonicContact OE1-CZ 3.88Å; E42-R45 IonicContact OE1-NH2 2.74Å; E42-R45 PolarHBondContact OE1-NH2 2.84Å; V43-R45 PolarHBondContact O-N 2.83Å; R45-L47 PolarHBondContact O-N 2.82Å; R45-K48 CarbonylContact O-C 3.5Å; R45-K48 PolarHBondContact O-N 3.24Å; R45-E49 WeakPolarHBondContact CG-OE2 3.4Å; R45-E49 IonicContact CZ-OE2 2.68Å; R45-E49 IonicContact NH1-OE1 3.97Å; R45-E49 IonicContact NH1-OE2 2.68Å; R45-E49 PolarHBondContact NH1-OE2 3.48Å; R45-E49 WeakPolarHBondContact O-CB 3.3Å; R45-E49 PolarHBondContact O-N 3.39Å
46L82.5Confident74.2Confident0 Ų073.3 Ų73.30%036%0.355CS..Hα-helixtrans-67-34-176.7-67.6175.2000112.7E42 V43 K48 Y50 N53 F201 G203 P210E42-L46 HydrophobicContact CG-CD1 3.92Å; E42-L46 HydrophobicContact CG-CG 4.27Å; E42-L46 WeakPolarHBondContact O-CB 3.14Å; E42-L46 WeakPolarHBondContact O-CG 3.47Å; E42-L46 PolarHBondContact O-N 3.13Å; V43-L46 PolarHBondContact O-N 2.92Å; L46-K48 VanDerWaalsContact C-N 3.34Å; L46-Y50 HydrophobicContact CD2-CD2 4.06Å; L46-Y50 HydrophobicContact CD2-CE2 3.89Å; L46-Y50 PolarHBondContact O-N 3.37Å; L46-N53 PolarHBondContact O-ND2 3.38Å; L46-F201 HydrophobicContact CB-CD1 4.27Å; L46-F201 HydrophobicContact CD1-CB 4.41Å; L46-G203 WeakPolarHBondContact CD1-O 3.4Å; L46-G203 VanDerWaalsContact CD2-C 3.46Å; L46-G203 VanDerWaalsContact CD2-O 3.26Å; L46-G203 WeakPolarHBondContact CD2-O 3.02Å; L46-P210 HydrophobicContact CD1-CG 3.67Å
47L82.5Confident75.6Confident18 Ų1867.2 Ų67.29%0.09433%0.327CS..Hα-helixtrans-66.4-34.6169.7-76.4166.9000112.5V43 R45 N53 Q54 V57 F201 L1112V43-L47 HydrophobicContact CG1-CD1 3.89Å; V43-L47 WeakPolarHBondContact O-CB 3.38Å; V43-L47 WeakPolarHBondContact O-CG 3.41Å; V43-L47 PolarHBondContact O-N 2.82Å; R45-L47 PolarHBondContact O-N 2.82Å; L47-N53 HydrophobicContact CD2-CB 4.07Å; L47-Q54 WeakPolarHBondContact O-CG 3.31Å; L47-Q54 PolarHBondContact O-NE2 2.85Å; L47-V57 HydrophobicContact CD2-CG2 4.1Å; L47-F201 HydrophobicContact CD2-CE1 3.95Å; L47-F201 HydrophobicContact CG-CE1 3.99Å; L47-L1112 HydrophobicContact CD1-CD2 3.66Å
48K81.8Confident77.1Confident181 Ų18166.5 Ų66.579%0.78732%0.316SS*.Hα-helixtrans-83.2-30.3-178.3-170.1172.3-175.4172.40113.4E44 R45 L46E44-K48 WeakPolarHBondContact O-CB 3.39Å; E44-K48 PolarHBondContact O-N 3.41Å; R45-K48 CarbonylContact O-C 3.5Å; R45-K48 PolarHBondContact O-N 3.24Å; L46-K48 VanDerWaalsContact C-N 3.34Å
49E82Confident78Confident105 Ų10568.8 Ų68.849%0.49132%0.316SS..Hα-helixtrans-87.6-37.9-174.4-168.9178.9147.800112.3R45R45-E49 WeakPolarHBondContact CG-OE2 3.4Å; R45-E49 IonicContact CZ-OE2 2.68Å; R45-E49 IonicContact NH1-OE1 3.97Å; R45-E49 IonicContact NH1-OE2 2.68Å; R45-E49 PolarHBondContact NH1-OE2 3.48Å; R45-E49 WeakPolarHBondContact O-CB 3.3Å; R45-E49 PolarHBondContact O-N 3.39Å
50Y77.7Confident78.8Confident73 Ų7365.8 Ų65.829%0.28630%0.295SS..  trans-113.8113-176.7-62.7-97.6000111.8L46 Q52 N53 Y202L46-Y50 HydrophobicContact CD2-CD2 4.06Å; L46-Y50 HydrophobicContact CD2-CE2 3.89Å; L46-Y50 PolarHBondContact O-N 3.37Å; Y50-Q52 PolarHBondContact O-N 2.82Å; Y50-N53 WeakPolarHBondContact CB-ND2 3.38Å; Y50-N53 WeakPolarHBondContact O-CB 3.31Å; Y50-N53 PolarHBondContact O-N 3.07Å; Y50-Y202 WeakPolarHBondContact CD2-O 3.02Å; Y50-Y202 VanDerWaalsContact CG-O 3.27Å
51R81.3Confident78.7Confident204 Ų20464.2 Ų64.277%0.7729%0.292SS*.Hα-helixtrans-59-30.2177.7-174178.8178.7-174.9-0.3112.7N53 Q54 E55R51-N53 VanDerWaalsContact C-N 3.28Å; R51-N53 PolarHBondContact O-N 2.76Å; R51-Q54 WeakPolarHBondContact O-CB 3.38Å; R51-Q54 PolarHBondContact O-N 2.79Å; R51-E55 PolarHBondContact O-N 2.84Å
52Q78.9Confident78.1Confident50 Ų5065.6 Ų65.623%0.23431%0.307CS..Hα-helixtrans-59.7-37.4176.3-6289-34.800112Y50 E55 L56 Y202Y50-Q52 PolarHBondContact O-N 2.82Å; Q52-E55 PolarHBondContact O-N 3.37Å; Q52-L56 WeakPolarHBondContact O-CB 3.36Å; Q52-L56 PolarHBondContact O-N 3.12Å; Q52-Y202 HydrophobicContact CB-CD1 4.05Å; Q52-Y202 HydrophobicContact CB-CD2 3.39Å; Q52-Y202 HydrophobicContact CB-CE1 4.27Å; Q52-Y202 HydrophobicContact CB-CE2 3.68Å; Q52-Y202 HydrophobicContact CB-CG 3.61Å; Q52-Y202 HydrophobicContact CG-CD1 4.12Å; Q52-Y202 HydrophobicContact CG-CD2 4.33Å; Q52-Y202 HydrophobicContact CG-CE1 4.23Å; Q52-Y202 HydrophobicContact CG-CE2 4.45Å; Q52-Y202 HydrophobicContact CG-CG 4.17Å
53N84.5Confident77.7Confident0 Ų065.3 Ų65.30%031%0.305CS..Hα-helixtrans-68.3-36.7177.4-66.9-29000111.9L46 L47 Y50 R51 V57 F201 Y202L46-N53 PolarHBondContact O-ND2 3.38Å; L47-N53 HydrophobicContact CD2-CB 4.07Å; Y50-N53 WeakPolarHBondContact CB-ND2 3.38Å; Y50-N53 WeakPolarHBondContact O-CB 3.31Å; Y50-N53 PolarHBondContact O-N 3.07Å; R51-N53 VanDerWaalsContact C-N 3.28Å; R51-N53 PolarHBondContact O-N 2.76Å; N53-V57 WeakPolarHBondContact O-CG2 3.01Å; N53-V57 PolarHBondContact O-N 2.85Å; N53-V57 VanDerWaalsContact O-N 3.14Å; N53-F201 HydrophobicContact CB-CD1 3.92Å; N53-F201 HydrophobicContact CB-CE1 4.25Å; N53-F201 VanDerWaalsContact CG-CD1 3.46Å; N53-F201 WeakPolarHBondContact OD1-CA 3.17Å; N53-Y202 PolarHBondContact ND2-O 3.2Å; N53-Y202 WeakPolarHBondContact OD1-CD2 3.22Å; N53-Y202 PolarHBondContact OD1-N 2.81Å
54Q82.1Confident77.5Confident89 Ų8969.7 Ų69.742%0.41632%0.321SS..Hα-helixtrans-65.2-43.8174.2-56177.2-0.500111L47 R51 R58L47-Q54 WeakPolarHBondContact O-CG 3.31Å; L47-Q54 PolarHBondContact O-NE2 2.85Å; R51-Q54 WeakPolarHBondContact O-CB 3.38Å; R51-Q54 PolarHBondContact O-N 2.79Å; Q54-R58 WeakPolarHBondContact O-CB 3.43Å; Q54-R58 PolarHBondContact O-N 2.89Å
55E80.4Confident77.8Confident40 Ų4066.4 Ų66.419%0.18731%0.306CS..Hα-helixtrans-69.2-36.9178.8-173.367.5176.500112.4R51 Q52 R58 R59 Y396R51-E55 PolarHBondContact O-N 2.84Å; Q52-E55 PolarHBondContact O-N 3.37Å; E55-R58 VanDerWaalsContact CD-NH2 3.26Å; E55-R58 PolarHBondContact O-N 3.27Å; E55-R58 IonicContact OE1-CZ 2.6Å; E55-R58 IonicContact OE1-NH2 2.72Å; E55-R58 PolarHBondContact OE1-NH2 2.69Å; E55-R58 IonicContact OE2-CZ 3.48Å; E55-R58 IonicContact OE2-NE 3.37Å; E55-R58 PolarHBondContact OE2-NE 2.67Å; E55-R58 IonicContact OE2-NH2 3.47Å; E55-R58 PolarHBondContact OE2-NH2 3.46Å; E55-R59 HydrophobicContact CG-CG 4.43Å; E55-R59 WeakPolarHBondContact O-CB 3.31Å; E55-R59 WeakPolarHBondContact O-CG 3.37Å; E55-R59 PolarHBondContact O-N 2.88Å; E55-R59 IonicContact OE1-CZ 2.87Å; E55-R59 VanDerWaalsContact OE1-CZ 3.25Å; E55-R59 IonicContact OE1-NE 2.78Å; E55-R59 PolarHBondContact OE1-NE 2.85Å; E55-R59 IonicContact OE1-NH2 2.61Å; E55-R59 PolarHBondContact OE1-NH2 3.39Å; E55-Y396 HydrophobicContact CG-CE2 4.46Å
56L80.8Confident77.9Confident0 Ų062.5 Ų62.50%029%0.292CS..Hα-helixtrans-55.9-58.1171.8176.164.2000110.8Q52 R58 R59 I60 H199 V212 Y396Q52-L56 WeakPolarHBondContact O-CB 3.36Å; Q52-L56 PolarHBondContact O-N 3.12Å; L56-R58 VanDerWaalsContact C-N 3.27Å; L56-R58 PolarHBondContact O-N 3.04Å; L56-R59 PolarHBondContact O-N 2.87Å; L56-I60 HydrophobicContact CD1-CD1 3.79Å; L56-I60 HydrophobicContact CD1-CG1 4.37Å; L56-I60 HydrophobicContact CG-CD1 3.92Å; L56-I60 VanDerWaalsContact O-CG1 3.3Å; L56-I60 WeakPolarHBondContact O-CG1 3.41Å; L56-I60 PolarHBondContact O-N 3.14Å; L56-H199 HydrophobicContact CD1-CB 4.39Å; L56-H199 HydrophobicContact CD2-CB 4.37Å; L56-V212 HydrophobicContact CD2-CG2 3.98Å; L56-Y396 HydrophobicContact CB-CE1 4.37Å; L56-Y396 HydrophobicContact CB-CE2 4.29Å; L56-Y396 HydrophobicContact CD1-CD1 3.62Å; L56-Y396 HydrophobicContact CD1-CD2 3.91Å; L56-Y396 HydrophobicContact CD1-CE1 4Å; L56-Y396 HydrophobicContact CD1-CE2 4.26Å; L56-Y396 HydrophobicContact CD1-CG 3.57Å
57V81.3Confident78.1Confident6 Ų664.7 Ų64.74%0.03630%0.303CS..Hα-helixtrans-61.5-36.5178.6175.10000111.4L47 N53 G61 Y65 L1109L47-V57 HydrophobicContact CD2-CG2 4.1Å; N53-V57 WeakPolarHBondContact O-CG2 3.01Å; N53-V57 PolarHBondContact O-N 2.85Å; N53-V57 VanDerWaalsContact O-N 3.14Å; V57-G61 PolarHBondContact O-N 2.61Å; V57-Y65 HydrophobicContact CG1-CE1 4.22Å; V57-Y65 WeakPolarHBondContact CG1-OH 3.49Å; V57-L1109 HydrophobicContact CG1-CD1 4.21Å
58R80.9Confident78.3Confident168 Ų16864.3 Ų64.363%0.63430%0.301SS*.Hα-helixtrans-67.5-34.7177.5-166.717776.41014.4113.2Q54 E55 L56Q54-R58 WeakPolarHBondContact O-CB 3.43Å; Q54-R58 PolarHBondContact O-N 2.89Å; E55-R58 VanDerWaalsContact CD-NH2 3.26Å; E55-R58 PolarHBondContact O-N 3.27Å; E55-R58 IonicContact OE1-CZ 2.6Å; E55-R58 IonicContact OE1-NH2 2.72Å; E55-R58 PolarHBondContact OE1-NH2 2.69Å; E55-R58 IonicContact OE2-CZ 3.48Å; E55-R58 IonicContact OE2-NE 3.37Å; E55-R58 PolarHBondContact OE2-NE 2.67Å; E55-R58 IonicContact OE2-NH2 3.47Å; E55-R58 PolarHBondContact OE2-NH2 3.46Å; L56-R58 VanDerWaalsContact C-N 3.27Å; L56-R58 PolarHBondContact O-N 3.04Å
59R75.1Confident78.4Confident109 Ų10958.1 Ų58.141%0.41127%0.273SS..Hα-helixtrans-83.3-30.3178.2-71.1-162.4-169.3-166.95.4113.9E55 L56 G61 Y396E55-R59 HydrophobicContact CG-CG 4.43Å; E55-R59 WeakPolarHBondContact O-CB 3.31Å; E55-R59 WeakPolarHBondContact O-CG 3.37Å; E55-R59 PolarHBondContact O-N 2.88Å; E55-R59 IonicContact OE1-CZ 2.87Å; E55-R59 VanDerWaalsContact OE1-CZ 3.25Å; E55-R59 IonicContact OE1-NE 2.78Å; E55-R59 PolarHBondContact OE1-NE 2.85Å; E55-R59 IonicContact OE1-NH2 2.61Å; E55-R59 PolarHBondContact OE1-NH2 3.39Å; L56-R59 PolarHBondContact O-N 2.87Å; R59-G61 PolarHBondContact O-N 2.81Å; R59-Y396 HydrophobicContact CB-CD2 3.9Å; R59-Y396 HydrophobicContact CB-CE2 4Å; R59-Y396 HydrophobicContact CG-CD2 4.45Å; R59-Y396 HydrophobicContact CG-CE2 4.16Å
60I75.4Confident78.6Confident4 Ų453.5 Ų53.52%0.02125%0.252CS..Hα-helixtrans-62.1-31.8167.7-66.8167.8000110.1L56 G62 H63 Y65 V212 F214L56-I60 HydrophobicContact CD1-CD1 3.79Å; L56-I60 HydrophobicContact CD1-CG1 4.37Å; L56-I60 HydrophobicContact CG-CD1 3.92Å; L56-I60 VanDerWaalsContact O-CG1 3.3Å; L56-I60 WeakPolarHBondContact O-CG1 3.41Å; L56-I60 PolarHBondContact O-N 3.14Å; I60-G62 PolarHBondContact O-N 2.92Å; I60-G62 VanDerWaalsContact O-N 3.14Å; I60-H63 HydrophobicContact CG2-CB 3.99Å; I60-H63 WeakPolarHBondContact O-CB 3.25Å; I60-H63 PolarHBondContact O-CD2 2.96Å; I60-H63 PolarHBondContact O-N 2.93Å; I60-Y65 HydrophobicContact CG2-CD1 4.15Å; I60-Y65 HydrophobicContact CG2-CG 4.37Å; I60-V212 HydrophobicContact CD1-CB 4.44Å; I60-V212 HydrophobicContact CD1-CG1 3.76Å; I60-F214 HydrophobicContact CD1-CD1 3.53Å; I60-F214 HydrophobicContact CD1-CE1 3.73Å; I60-F214 HydrophobicContact CD1-CG 4.13Å; I60-F214 HydrophobicContact CD1-CZ 4.47Å; I60-F214 HydrophobicContact CG1-CD1 3.91Å; I60-F214 HydrophobicContact CG1-CD2 4.4Å; I60-F214 HydrophobicContact CG1-CE1 3.92Å; I60-F214 HydrophobicContact CG1-CE2 4.41Å; I60-F214 HydrophobicContact CG1-CG 4.15Å; I60-F214 HydrophobicContact CG1-CZ 4.17Å; I60-F214 HydrophobicContact CG2-CB 3.94Å; I60-F214 HydrophobicContact CG2-CD2 4.35Å; I60-F214 HydrophobicContact CG2-CG 4.05Å
61G58.4Low78.7Confident30 Ų3051.2 Ų51.231%0.30925%0.245SC..THydrogen-bonded Turntrans57.2-118.5160.200000113.7V57 R59 H63V57-G61 PolarHBondContact O-N 2.61Å; R59-G61 PolarHBondContact O-N 2.81Å; G61-H63 VanDerWaalsContact C-N 3.35Å
62G58.4Low78.5Confident76 Ų7641.5 Ų41.578%0.78421%0.209SC*.THydrogen-bonded Turntrans-84.42.7-178.500000115.6I60I60-G62 PolarHBondContact O-N 2.92Å; I60-G62 VanDerWaalsContact O-N 3.14Å
63H67.8Low78.3Confident41 Ų4141.2 Ų41.219%0.1921%0.209CC..SBendtrans-72.9140.4171.5-62.3-69.3000110I60 G61 Y65 E215I60-H63 HydrophobicContact CG2-CB 3.99Å; I60-H63 WeakPolarHBondContact O-CB 3.25Å; I60-H63 PolarHBondContact O-CD2 2.96Å; I60-H63 PolarHBondContact O-N 2.93Å; G61-H63 VanDerWaalsContact C-N 3.35Å; H63-Y65 PolarHBondContact O-N 3.23Å; H63-E215 PolarHBondContact ND1-O 3.32Å
64Y74Confident77.4Confident104 Ų10443.2 Ų43.241%0.40822%0.216SC..  trans-67.7123.7170.6-72.1-77.2000108.7F122 R1107Y64-F122 VanDerWaalsContact O-CZ 3.28Å; Y64-F122 WeakPolarHBondContact O-CZ 3.42Å; Y64-R1107 HydrophobicContact CE1-CG 3.97Å
65Y84.5Confident76.3Confident3 Ų347.1 Ų47.11%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-122.8157.1175.773.5-89.6000111.2V57 I60 H63 I67 V212 I213 I1106V57-Y65 HydrophobicContact CG1-CE1 4.22Å; V57-Y65 WeakPolarHBondContact CG1-OH 3.49Å; I60-Y65 HydrophobicContact CG2-CD1 4.15Å; I60-Y65 HydrophobicContact CG2-CG 4.37Å; H63-Y65 PolarHBondContact O-N 3.23Å; Y65-I67 HydrophobicContact CE2-CG1 4.5Å; Y65-V212 HydrophobicContact CD2-CG1 3.96Å; Y65-V212 HydrophobicContact CG-CG1 4.25Å; Y65-I213 CarbonylContact C-O 3.48Å; Y65-I213 VanDerWaalsContact CA-O 3.3Å; Y65-I213 WeakPolarHBondContact CA-O 3.45Å; Y65-I1106 HydrophobicContact CE1-CB 4.36Å; Y65-I1106 HydrophobicContact CE1-CG2 4.01Å; Y65-I1106 VanDerWaalsContact OH-CG2 3.32Å; Y65-I1106 WeakPolarHBondContact OH-CG2 3.24Å
66Q86.9Confident75.2Confident12 Ų1253.1 Ų53.16%0.05626%0.262CS..EExtended strand (participates in β ladder)trans-133.8149.2169.8-69.1-171.6-30.200109.3F122 I213Q66-F122 HydrophobicContact CB-CZ 4.41Å; Q66-F122 HydrophobicContact CG-CD1 4.22Å; Q66-F122 HydrophobicContact CG-CE1 3.78Å; Q66-F122 HydrophobicContact CG-CZ 4.12Å; Q66-I213 HydrophobicContact CB-CG2 4.1Å; Q66-I213 PolarHBondContact N-O 3.13Å; Q66-I213 PolarHBondContact O-N 2.78Å
67I85.9Confident74Confident45 Ų4559.5 Ų59.523%0.23129%0.291CS..EExtended strand (participates in β ladder)trans-94.9129.1170.9-58.9177.8000106.9V43 Y65 F201 P210 H211V43-I67 HydrophobicContact CG1-CD1 3.52Å; V43-I67 HydrophobicContact CG2-CG2 4.18Å; Y65-I67 HydrophobicContact CE2-CG1 4.5Å; I67-F201 HydrophobicContact CD1-CE2 4.37Å; I67-F201 HydrophobicContact CD1-CZ 3.86Å; I67-F201 HydrophobicContact CG1-CE2 4.31Å; I67-F201 HydrophobicContact CG1-CZ 4.22Å; I67-F201 HydrophobicContact CG2-CE2 4.15Å; I67-P210 HydrophobicContact CG2-CB 4.19Å; I67-H211 WeakPolarHBondContact CA-O 3.36Å
68I87.2Confident72.9Confident11 Ų1164.3 Ų64.36%0.05631%0.312CS..EExtended strand (participates in β ladder)trans-131158.4-173.556.2164.4000110.8P70 I119 A121 I198 H211 I213I68-P70 HydrophobicContact CD1-CG 4.2Å; I68-I119 HydrophobicContact CD1-CG1 4.39Å; I68-I119 HydrophobicContact CD1-CG2 3.54Å; I68-A121 HydrophobicContact CG2-CB 4.19Å; I68-I198 HydrophobicContact CD1-CD1 4.31Å; I68-I198 HydrophobicContact CD1-CG2 4.34Å; I68-H211 HydrophobicContact CG1-CB 4.04Å; I68-H211 PolarHBondContact N-O 2.9Å; I68-H211 PolarHBondContact O-N 2.83Å; I68-I213 HydrophobicContact CB-CG2 4.5Å; I68-I213 HydrophobicContact CD1-CB 3.82Å; I68-I213 HydrophobicContact CD1-CD1 4.44Å; I68-I213 HydrophobicContact CD1-CG2 3.82Å; I68-I213 HydrophobicContact CG1-CB 4.29Å; I68-I213 HydrophobicContact CG1-CG2 4Å; I68-I213 HydrophobicContact CG2-CG2 3.71Å
69Y84.1Confident72.1Confident51 Ų5158.8 Ų58.820%0.229%0.294CS..  trans-121.595.3170.3-62.3-91.5000107.3S38 V43 K208 P210S38-Y69 WeakPolarHBondContact OG-CE2 3.42Å; V43-Y69 WeakPolarHBondContact CG2-OH 3.38Å; Y69-K208 WeakPolarHBondContact CD1-O 3.21Å; Y69-K208 WeakPolarHBondContact CE1-O 3.36Å; Y69-P210 HydrophobicContact CD1-CB 4.29Å; Y69-P210 HydrophobicContact CE1-CB 3.65Å; Y69-P210 HydrophobicContact CE1-CG 4.4Å
70P84.7Confident71.4Confident8 Ų855.1 Ų55.15%0.05229%0.29CS..  trans-60.5137.3176.2-20.232.3000110.5I68 I81 I119 V185 H211I68-P70 HydrophobicContact CD1-CG 4.2Å; P70-I81 HydrophobicContact CB-CG2 4.23Å; P70-I81 WeakPolarHBondContact O-CG2 3.34Å; P70-I119 HydrophobicContact CB-CG1 3.96Å; P70-I119 HydrophobicContact CG-CG1 4.3Å; P70-V185 HydrophobicContact CB-CG2 4.39Å; P70-H211 WeakPolarHBondContact CD-ND1 2.98Å; P70-H211 WeakPolarHBondContact CG-ND1 3.02Å
71V81.2Confident71.2Confident24 Ų2455.2 Ų55.215%0.14529%0.291CS..EExtended strand (participates in β ladder)trans-113.2132.5177.6-177.50000109.7F33 K78 L118F33-V71 HydrophobicContact CZ-CG1 4.48Å; V71-K78 HydrophobicContact CG1-CB 3.96Å; V71-K78 HydrophobicContact CG1-CD 4.37Å; V71-K78 HydrophobicContact CG1-CG 4.23Å; V71-L118 PolarHBondContact N-O 3.41Å; V71-L118 VanDerWaalsContact N-O 3.11Å; V71-L118 PolarHBondContact O-N 3.35Å
72Q77.1Confident71.7Confident0 Ų055.4 Ų55.40%029%0.287CS..EExtended strand (participates in β ladder)trans-89.7130.3173.8-166.1177.512.400110R74 M79 G80 S82 T115 L117Q72-R74 VanDerWaalsContact CD-NE 3.3Å; Q72-R74 VanDerWaalsContact CD-NH2 3.31Å; Q72-M79 HydrophobicContact CB-CB 4.49Å; Q72-M79 PolarHBondContact N-O 2.99Å; Q72-M79 PolarHBondContact O-N 3.46Å; Q72-G80 PolarHBondContact OE1-O 3Å; Q72-S82 PolarHBondContact OE1-O 3.35Å; Q72-T115 WeakPolarHBondContact CG-OG1 3.07Å; Q72-T115 PolarHBondContact NE2-OG1 3.08Å; Q72-L117 HydrophobicContact CB-CD2 3.84Å; Q72-L117 HydrophobicContact CG-CD2 3.9Å
73L73Confident72.6Confident45 Ų4551.9 Ų51.924%0.23625%0.25CS..EExtended strand (participates in β ladder)trans-102.8116.9179.4-62.1175.7000109.5S116 L118L73-S116 PolarHBondContact N-O 2.83Å; L73-S116 VanDerWaalsContact N-O 3.1Å; L73-L118 HydrophobicContact CD1-CB 4.15Å; L73-L118 HydrophobicContact CD1-CD2 4.49Å; L73-L118 HydrophobicContact CG-CB 4.46Å
74R66Low73.1Confident42 Ų4252.3 Ų52.316%0.15825%0.25CS..EExtended strand (participates in β ladder)trans-142.7131.2175.6-79.4-172.2-91.8154.8-7.8109.6Q72 H76 E77 M79 S82 F112Q72-R74 VanDerWaalsContact CD-NE 3.3Å; Q72-R74 VanDerWaalsContact CD-NH2 3.31Å; R74-H76 PolarHBondContact O-N 2.88Å; R74-H76 VanDerWaalsContact O-N 3.17Å; R74-E77 PolarHBondContact N-O 2.77Å; R74-E77 PolarHBondContact O-N 3.39Å; R74-M79 HydrophobicContact CB-CE 3.75Å; R74-M79 HydrophobicContact CB-CG 4.41Å; R74-M79 HydrophobicContact CB-SD 3.8Å; R74-M79 HydrophobicContact CG-SD 4.4Å; R74-M79 PolarHBondContact NH1-SD 2.03Å; R74-M79 VanDerWaalsContact NH1-SD 3.39Å; R74-S82 PolarHBondContact NH2-O 3Å; R74-F112 VanDerWaalsContact NH1-CZ 3.27Å
75H60.5Low72.6Confident170 Ų17050.4 Ų50.479%0.78725%0.245SC*.THydrogen-bonded Turntrans49.238.7179.9-56110.1000115.1E77H75-E77 PolarHBondContact O-N 2.93Å; H75-E77 VanDerWaalsContact O-N 3.15Å
76H55.4Low71.4Confident167 Ų16755.5 Ų55.577%0.77328%0.276SS*.THydrogen-bonded Turntrans65.2-1-173.9-52.7-88000116.2R74R74-H76 PolarHBondContact O-N 2.88Å; R74-H76 VanDerWaalsContact O-N 3.17Å
77E56.1Low69.4Low133 Ų13359.3 Ų59.362%0.62131%0.305SS*.EExtended strand (participates in β ladder)trans-95.1151.4176.2-62.4-172.3148.700112.1R74 H75R74-E77 PolarHBondContact N-O 2.77Å; R74-E77 PolarHBondContact O-N 3.39Å; H75-E77 PolarHBondContact O-N 2.93Å; H75-E77 VanDerWaalsContact O-N 3.15Å
78K58.5Low67.2Low107 Ų10764.5 Ų64.547%0.46533%0.332SS..EExtended strand (participates in β ladder)trans-78.4120.3169.1-51.3-168.9-153.7-166.90108.3F33 V71F33-K78 HydrophobicContact CE2-CD 3.75Å; F33-K78 HydrophobicContact CE2-CG 4.09Å; F33-K78 HydrophobicContact CZ-CD 3.69Å; F33-K78 HydrophobicContact CZ-CG 4.17Å; V71-K78 HydrophobicContact CG1-CB 3.96Å; V71-K78 HydrophobicContact CG1-CD 4.37Å; V71-K78 HydrophobicContact CG1-CG 4.23Å
79M63.4Low65Low53 Ų5369.3 Ų69.326%0.26136%0.364SS..EExtended strand (participates in β ladder)trans-109.8151.1169.3-61.8-169.2-172.800110.7Q72 R74Q72-M79 HydrophobicContact CB-CB 4.49Å; Q72-M79 PolarHBondContact N-O 2.99Å; Q72-M79 PolarHBondContact O-N 3.46Å; R74-M79 HydrophobicContact CB-CE 3.75Å; R74-M79 HydrophobicContact CB-CG 4.41Å; R74-M79 HydrophobicContact CB-SD 3.8Å; R74-M79 HydrophobicContact CG-SD 4.4Å; R74-M79 PolarHBondContact NH1-SD 2.03Å; R74-M79 VanDerWaalsContact NH1-SD 3.39Å
80G61.4Low62.8Low32 Ų3276 Ų7633%0.3339%0.394SS..  trans-61.9156.2167.100000110.9Q72 S82 S207Q72-G80 PolarHBondContact OE1-O 3Å; G80-S82 PolarHBondContact O-N 2.85Å; G80-S207 WeakPolarHBondContact CA-O 3.39Å
81I70Confident60.7Low6 Ų682.2 Ų82.23%0.03143%0.434CS..SBendtrans-62.6-2.1-168.164-178.6000116.4P70 T83 V185 L206 H209P70-I81 HydrophobicContact CB-CG2 4.23Å; P70-I81 WeakPolarHBondContact O-CG2 3.34Å; I81-T83 PolarHBondContact O-N 2.9Å; I81-V185 HydrophobicContact CB-CG2 4.16Å; I81-V185 HydrophobicContact CG2-CG2 4.28Å; I81-L206 WeakPolarHBondContact CG1-O 3.35Å; I81-H209 HydrophobicContact CD1-CB 3.79Å
82S69.7Low59.2Low34 Ų3484.8 Ų84.824%0.23847%0.465CS..  trans-72108.2-179.5-175.10000111.1Q72 R74 G80 R84Q72-S82 PolarHBondContact OE1-O 3.35Å; R74-S82 PolarHBondContact NH2-O 3Å; G80-S82 PolarHBondContact O-N 2.85Å; S82-R84 PolarHBondContact O-N 2.78Å
83T76.6Confident57.6Low1 Ų193.9 Ų93.91%0.00651%0.508CS..  trans-74.41172.750.70000113.5I81 H111 F112 T115 Y165 T181I81-T83 PolarHBondContact O-N 2.9Å; T83-H111 VanDerWaalsContact O-CA 3.23Å; T83-H111 WeakPolarHBondContact O-CA 3.28Å; T83-H111 PolarHBondContact OG1-ND1 3.35Å; T83-F112 VanDerWaalsContact O-CD2 3.24Å; T83-F112 WeakPolarHBondContact O-CD2 3.26Å; T83-F112 PolarHBondContact O-N 2.84Å; T83-T115 HydrophobicContact CG2-CG2 4.28Å; T83-Y165 HydrophobicContact CG2-CE2 4.28Å; T83-T181 HydrophobicContact CG2-CG2 3.91Å; T83-T181 WeakPolarHBondContact OG1-CB 3.31Å; T83-T181 PolarHBondContact OG1-OG1 2.04Å
84R79.1Confident56.1Low51 Ų51102.9 Ų102.919%0.19254%0.539CS..BIsolated β-bridgetrans-72.6138.1177.9-63.5178.8176.5103.8-0.2111.7S82 V86 E161 C182S82-R84 PolarHBondContact O-N 2.78Å; R84-V86 PolarHBondContact O-N 2.87Å; R84-E161 IonicContact CZ-OE1 3.86Å; R84-E161 VanDerWaalsContact CZ-OE1 3.28Å; R84-E161 IonicContact CZ-OE2 2.72Å; R84-E161 IonicContact NE-OE1 2.67Å; R84-E161 PolarHBondContact NE-OE1 3.06Å; R84-E161 IonicContact NE-OE2 3.74Å; R84-E161 VanDerWaalsContact NH2-CD 3.25Å; R84-E161 IonicContact NH2-OE1 3.35Å; R84-E161 PolarHBondContact NH2-OE1 3.28Å; R84-E161 IonicContact NH2-OE2 3.57Å; R84-E161 PolarHBondContact NH2-OE2 2.89Å; R84-C182 VanDerWaalsContact CZ-O 3.28Å; R84-C182 PolarHBondContact NH1-O 2.63Å; R84-C182 PolarHBondContact NH2-O 2.95Å
85E64.4Low55.1Low63 Ų63106.8 Ų106.829%0.29457%0.57SS.*  trans-78.294.9177.5-67.9-177.2169.600111.9S87 T108 K110 F112E85-S87 PolarHBondContact O-N 3.44Å; E85-T108 VanDerWaalsContact O-CB 3.3Å; E85-T108 WeakPolarHBondContact O-CB 3.24Å; E85-T108 WeakPolarHBondContact O-CG2 3.4Å; E85-K110 HydrophobicContact CB-CB 4.41Å; E85-K110 HydrophobicContact CG-CB 4.26Å; E85-K110 PolarHBondContact N-O 2.61Å; E85-K110 WeakPolarHBondContact OE2-CB 3.26Å; E85-F112 HydrophobicContact CB-CE2 4.37Å; E85-F112 HydrophobicContact CB-CZ 4.38Å; E85-F112 HydrophobicContact CG-CD1 4.36Å; E85-F112 HydrophobicContact CG-CD2 4.08Å; E85-F112 HydrophobicContact CG-CE1 4.08Å; E85-F112 HydrophobicContact CG-CE2 3.73Å; E85-F112 HydrophobicContact CG-CG 4.35Å; E85-F112 HydrophobicContact CG-CZ 3.75Å
86V58.5Low54.2Low110 Ų110109.5 Ų109.567%0.66757%0.573SS**  trans-74.593.2175.6-1760000110.7R84 L88R84-V86 PolarHBondContact O-N 2.87Å; V86-L88 PolarHBondContact O-N 3.25Å
87S45.4Very low53.4Low93 Ų93107.8 Ų107.865%0.6558%0.576SS**  trans-64.9112.8172.6-41.30000110.5E85E85-S87 PolarHBondContact O-N 3.44Å
88L40Very low52.9Low154 Ų154109.5 Ų109.581%0.80658%0.584SS**PPolyproline II helixtrans-62.6137.6176.5-74.887.9000110.6V86 K90V86-L88 PolarHBondContact O-N 3.25Å; L88-K90 PolarHBondContact O-N 2.9Å
89P40.6Very low51.9Low112 Ų112111.3 Ų111.373%0.72760%0.599SS**PPolyproline II helixtrans-65.9129.6174.527.4-33.3000110.3
90K37.9Very low50.5Low191 Ų191116.4 Ų116.483%0.8363%0.627SS**PPolyproline II helixtrans-55.6132.2178.6-72.9-174.8176.1-178.70110.6L88 G92L88-K90 PolarHBondContact O-N 2.9Å; K90-G92 PolarHBondContact O-N 3.1Å
91P39.5Very low49.1Very low139 Ų139120.2 Ų120.290%0.90365%0.649SS**THydrogen-bonded Turntrans-58.3128.6177.1-23.833.5000111.6
92G50.4Low47.2Very low77 Ų77122.8 Ų122.879%0.79468%0.677SS**THydrogen-bonded Turntrans132.9-26.9171.700000115.8K90 R94K90-G92 PolarHBondContact O-N 3.1Å; G92-R94 PolarHBondContact O-N 3.41Å
93Q43.3Very low45.4Very low191 Ų191131.1 Ų131.189%0.89371%0.709SS**  trans-85.8104.2177.8-70.6-172-7.300111.8P95Q93-P95 WeakPolarHBondContact O-CD 3.34Å
94R41.7Very low43.4Very low235 Ų235137.3 Ų137.389%0.88774%0.742SS**PPolyproline II helixtrans-76.4123.6165.6-70.9-175.5178.7177.90.1109.9G92G92-R94 PolarHBondContact O-N 3.41Å
95P44.2Very low41.2Very low124 Ų124146.9 Ų146.981%0.80578%0.778SS**PPolyproline II helixtrans-62.2147169.1-20.533.3000111.4Q93Q93-P95 WeakPolarHBondContact O-CD 3.34Å
96R41.6Very low39.6Very low226 Ų226146.8 Ų146.885%0.85379%0.794SS**PPolyproline II helixtrans-87.6133.8169.2-67.7-172.1-178.6-166.12.5109.7H98R96-H98 PolarHBondContact O-N 3.36Å
97P39.8Very low38.6Very low131 Ų131151.2 Ų151.285%0.85180%0.799SS**THydrogen-bonded Turntrans-84.293.2177.832.3-32.8000111.1
98H44.2Very low38.5Very low170 Ų170149.2 Ų149.279%0.78778%0.783SS**THydrogen-bonded Turntrans-158.1-26163.1-155-78.2000115.3R96 D100R96-H98 PolarHBondContact O-N 3.36Å; H98-D100 PolarHBondContact O-N 3.2Å
99D37.8Very low39.2Very low145 Ų145147.7 Ų147.778%0.77577%0.77SS**  trans-82.460.1-172.3-60.8-49.4000113.6S101D99-S101 PolarHBondContact O-N 3.5Å
100D33.8Very low40.5Very low159 Ų159149.5 Ų149.585%0.8577%0.766SS**  trans-81.852.7-179.9-158.410.2000112.5H98H98-D100 PolarHBondContact O-N 3.2Å
101S32.7Very low42.4Very low113 Ų113141 Ų14179%0.7973%0.73SS**SBendtrans-15961.4177.666.20000113.7D99D99-S101 PolarHBondContact O-N 3.5Å
102G29.9Very low44.4Very low59 Ų59137.4 Ų137.461%0.60870%0.7SS**  trans145.490.116600000115.3N104G102-N104 PolarHBondContact O-N 2.96Å
103F32.9Very low46Very low210 Ų210138.4 Ų138.492%0.92168%0.684SS**  trans-73.792.6173.6-106.8-94.1000111.9R105F103-R105 PolarHBondContact O-N 3.38Å
104N34.9Very low48Very low130 Ų130137.7 Ų137.770%0.69567%0.673SS**  trans-10.3103.3170.8-67.9-68000117.4G102G102-N104 PolarHBondContact O-N 2.96Å
105R32Very low50.1Low252 Ų252127 Ų12795%0.95163%0.633SS**SBendtrans-58.2135.5144.2-65171.8174164.1-4.8108F103F103-R105 PolarHBondContact O-N 3.38Å
106G31.9Very low52.1Low62 Ų62122.2 Ų122.264%0.63960%0.603SS**  trans121.316.4168.300000118
107R36Very low54.2Low202 Ų202111.5 Ų111.576%0.76256%0.563SS**SBendtrans-108.9138.2165.4-70-175175.1178.4-1.5110.3
108T42.9Very low56.5Low52 Ų52105.5 Ų105.532%0.31952%0.523SS..  trans60.381.1171.671.90000116.5E85E85-T108 VanDerWaalsContact O-CB 3.3Å; E85-T108 WeakPolarHBondContact O-CB 3.24Å; E85-T108 WeakPolarHBondContact O-CG2 3.4Å
109K56Low58.6Low121 Ų12197.4 Ų97.453%0.52649%0.486SS..  trans-99.7-2.5169.8-55.5-177.8-169.2175.40114.4D159K109-D159 VanDerWaalsContact CE-CG 3.41Å; K109-D159 WeakPolarHBondContact CE-OD1 3.37Å; K109-D159 WeakPolarHBondContact CE-OD2 3.28Å; K109-D159 IonicContact NZ-OD1 3.33Å; K109-D159 PolarHBondContact NZ-OD1 2.04Å; K109-D159 IonicContact NZ-OD2 3.31Å; K109-D159 PolarHBondContact NZ-OD2 3.15Å
110K67.6Low60.8Low151 Ų15194.6 Ų94.666%0.65747%0.467SS*.  trans-92.6142.6-178.4-70-165.9174.8-167.70110.7E85E85-K110 HydrophobicContact CB-CB 4.41Å; E85-K110 HydrophobicContact CG-CB 4.26Å; E85-K110 PolarHBondContact N-O 2.61Å; E85-K110 WeakPolarHBondContact OE2-CB 3.26Å
111H78.3Confident63.2Low13 Ų1387.1 Ų87.16%0.0643%0.427CS..BIsolated β-bridgetrans-119146.9174.9-69-101.6000110.2T83 H113 E161 H162T83-H111 VanDerWaalsContact O-CA 3.23Å; T83-H111 WeakPolarHBondContact O-CA 3.28Å; T83-H111 PolarHBondContact OG1-ND1 3.35Å; H111-H113 PolarHBondContact O-N 3.03Å; H111-E161 WeakPolarHBondContact NE2-CG 3.37Å; H111-E161 IonicContact NE2-OE1 3.89Å; H111-E161 PolarHBondContact NE2-OE1 2.95Å; H111-E161 IonicContact NE2-OE2 2.84Å; H111-H162 PolarHBondContact CD2-O 2.86Å; H111-H162 VanDerWaalsContact CD2-O 3.25Å
112F81.6Confident65.5Low62 Ų6283.1 Ų83.127%0.27240%0.396SS..  trans-60.7125.7179.2-66.7-86.3000111.5R74 T83 E85 R114 Y165R74-F112 VanDerWaalsContact NH1-CZ 3.27Å; T83-F112 VanDerWaalsContact O-CD2 3.24Å; T83-F112 WeakPolarHBondContact O-CD2 3.26Å; T83-F112 PolarHBondContact O-N 2.84Å; E85-F112 HydrophobicContact CB-CE2 4.37Å; E85-F112 HydrophobicContact CB-CZ 4.38Å; E85-F112 HydrophobicContact CG-CD1 4.36Å; E85-F112 HydrophobicContact CG-CD2 4.08Å; E85-F112 HydrophobicContact CG-CE1 4.08Å; E85-F112 HydrophobicContact CG-CE2 3.73Å; E85-F112 HydrophobicContact CG-CG 4.35Å; E85-F112 HydrophobicContact CG-CZ 3.75Å; F112-R114 VanDerWaalsContact C-N 3.26Å; F112-R114 PolarHBondContact O-N 3.48Å; F112-Y165 WeakPolarHBondContact O-CE1 3.45Å; F112-Y165 PolarHBondContact O-OH 2.8Å
113H82.9Confident67.8Low99 Ų9986.6 Ų86.646%0.45840%0.4SS..SBendtrans-59.9-32.2-177.8-172.9-83.2000113.5H111 E131 L132H111-H113 PolarHBondContact O-N 3.03Å; H113-E131 IonicContact CE1-OE1 2.69Å; H113-E131 WeakPolarHBondContact O-CA 3.3Å; H113-L132 WeakPolarHBondContact O-CB 3.32Å; H113-L132 PolarHBondContact O-N 3.06Å
114R85.5Confident70.1Confident176 Ų17678.6 Ų78.666%0.66437%0.366SS*.EExtended strand (participates in β ladder)trans-132.5145.6173.4-72.7-178.9178.2174.6-1.8111F112 L130 E131F112-R114 VanDerWaalsContact C-N 3.26Å; F112-R114 PolarHBondContact O-N 3.48Å; R114-L130 WeakPolarHBondContact CA-O 3.29Å; R114-E131 HydrophobicContact CG-CB 4.39Å; R114-E131 HydrophobicContact CG-CG 4.33Å; R114-E131 IonicContact CZ-OE1 2.73Å; R114-E131 IonicContact NE-OE1 2.86Å; R114-E131 PolarHBondContact NE-OE1 2.93Å; R114-E131 IonicContact NH2-OE1 3.87Å; R114-E131 PolarHBondContact NH2-OE1 3.21Å
115T85Confident72.5Confident9 Ų976.9 Ų76.96%0.05535%0.352CS..EExtended strand (participates in β ladder)trans-157.9149.1176.2-1800000111.5Q72 T83 L130 Y165Q72-T115 WeakPolarHBondContact CG-OG1 3.07Å; Q72-T115 PolarHBondContact NE2-OG1 3.08Å; T83-T115 HydrophobicContact CG2-CG2 4.28Å; T115-L130 HydrophobicContact CG2-CB 3.97Å; T115-L130 HydrophobicContact CG2-CD1 4.41Å; T115-L130 PolarHBondContact N-O 3.3Å; T115-L130 WeakPolarHBondContact O-CA 3.42Å; T115-L130 WeakPolarHBondContact O-CB 3.33Å; T115-L130 PolarHBondContact O-N 3.17Å; T115-Y165 HydrophobicContact CG2-CD1 4.44Å; T115-Y165 HydrophobicContact CG2-CE1 3.99Å
116S86.3Confident75.1Confident25 Ų2564.9 Ų64.918%0.17531%0.307CS..EExtended strand (participates in β ladder)trans-101.9138.9167.2-54.70000111.6L73 L128 D129L73-S116 PolarHBondContact N-O 2.83Å; L73-S116 VanDerWaalsContact N-O 3.1Å; S116-L128 CarbonylContact C-O 3.47Å; S116-L128 WeakPolarHBondContact CA-O 3.37Å; S116-D129 PolarHBondContact OG-OD1 2.66Å
117L87Confident77.8Confident1 Ų165.5 Ų65.51%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-114.1142.7168.3-64.1-176.7000110.3Q72 L128 L130 V185Q72-L117 HydrophobicContact CB-CD2 3.84Å; Q72-L117 HydrophobicContact CG-CD2 3.9Å; L117-L128 HydrophobicContact CB-CB 4.35Å; L117-L128 PolarHBondContact N-O 2.91Å; L117-L128 PolarHBondContact O-N 2.72Å; L117-L130 HydrophobicContact CD1-CD1 3.69Å; L117-L130 HydrophobicContact CG-CD1 3.98Å; L117-V185 HydrophobicContact CD1-CG1 3.86Å; L117-V185 HydrophobicContact CD1-CG2 3.79Å
118L87.3Confident80.4Confident4 Ų455.9 Ų55.92%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-116.2124.8174.3-17366.7000110.5L29 W34 V71 L73 K125 R127L29-L118 HydrophobicContact CD1-CD2 4.37Å; W34-L118 HydrophobicContact CH2-CD2 4.41Å; W34-L118 HydrophobicContact CH2-CG 4.4Å; W34-L118 HydrophobicContact CZ2-CD2 3.91Å; W34-L118 HydrophobicContact CZ2-CG 4.21Å; V71-L118 PolarHBondContact N-O 3.41Å; V71-L118 VanDerWaalsContact N-O 3.11Å; V71-L118 PolarHBondContact O-N 3.35Å; L73-L118 HydrophobicContact CD1-CB 4.15Å; L73-L118 HydrophobicContact CD1-CD2 4.49Å; L73-L118 HydrophobicContact CG-CB 4.46Å; L118-K125 HydrophobicContact CD1-CG 3.88Å; L118-R127 HydrophobicContact CD1-CB 4.31Å
119I87.7Confident82.6Confident1 Ų155.7 Ų55.71%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-131.2129179.3-65.3149.8000109I68 P70 A121 K125 F126 L128 I198 I213I68-I119 HydrophobicContact CD1-CG1 4.39Å; I68-I119 HydrophobicContact CD1-CG2 3.54Å; P70-I119 HydrophobicContact CB-CG1 3.96Å; P70-I119 HydrophobicContact CG-CG1 4.3Å; I119-A121 HydrophobicContact CG2-CB 4.17Å; I119-K125 CarbonylContact O-C 3.54Å; I119-F126 HydrophobicContact CB-CB 4.34Å; I119-F126 HydrophobicContact CB-CD2 4.35Å; I119-F126 HydrophobicContact CG2-CD2 4.01Å; I119-F126 PolarHBondContact N-O 2.87Å; I119-F126 PolarHBondContact O-N 2.79Å; I119-L128 HydrophobicContact CD1-CD1 3.8Å; I119-I198 HydrophobicContact CD1-CD1 3.59Å; I119-I213 HydrophobicContact CG2-CD1 4.37Å
120K84.9Confident84.2Confident85 Ų8550.1 Ų50.137%0.3723%0.227SC..EExtended strand (participates in β ladder)trans-110.5110.4174.6-172.7174177.8-176.80108.5D31 W34 H124D31-K120 IonicContact OD1-NZ 2.61Å; D31-K120 PolarHBondContact OD1-NZ 2.96Å; W34-K120 HydrophobicContact CD2-CB 4.32Å; W34-K120 HydrophobicContact CD2-CD 3.7Å; W34-K120 HydrophobicContact CE3-CB 4.31Å; W34-K120 HydrophobicContact CE3-CD 4.38Å; W34-K120 HydrophobicContact CG-CD 3.84Å; W34-K120 HydrophobicContact CH2-CB 3.77Å; W34-K120 HydrophobicContact CZ2-CB 3.77Å; W34-K120 HydrophobicContact CZ2-CD 4.14Å; W34-K120 HydrophobicContact CZ3-CB 4.05Å; K120-H124 WeakPolarHBondContact CA-O 3.48Å
121A84.6Confident85.4Confident2 Ų246 Ų462%0.01721%0.209CC..EExtended strand (participates in β ladder)trans-154.4144.9-173.600000111.7I68 I119 N123 H124 F126 I213I68-A121 HydrophobicContact CG2-CB 4.19Å; I119-A121 HydrophobicContact CG2-CB 4.17Å; A121-N123 PolarHBondContact O-N 2.81Å; A121-H124 PolarHBondContact N-O 3.05Å; A121-H124 WeakPolarHBondContact O-CA 3.19Å; A121-H124 WeakPolarHBondContact O-CB 3.25Å; A121-H124 PolarHBondContact O-N 3.18Å; A121-F126 HydrophobicContact CB-CE2 4.18Å; A121-I213 HydrophobicContact CB-CD1 3.96Å; A121-I213 HydrophobicContact CB-CG2 3.75Å
122F81.4Confident85.9Confident29 Ų2946.4 Ų46.413%0.12721%0.212CC..THydrogen-bonded Turntrans52.925176.5-57.1-65.7000116.3Y64 Q66 H124 F196 I213Y64-F122 VanDerWaalsContact O-CZ 3.28Å; Y64-F122 WeakPolarHBondContact O-CZ 3.42Å; Q66-F122 HydrophobicContact CB-CZ 4.41Å; Q66-F122 HydrophobicContact CG-CD1 4.22Å; Q66-F122 HydrophobicContact CG-CE1 3.78Å; Q66-F122 HydrophobicContact CG-CZ 4.12Å; F122-H124 VanDerWaalsContact C-N 3.31Å; F122-H124 PolarHBondContact O-CD2 2.99Å; F122-F196 AromaticContact CD2-CD1 3.88Å; F122-F196 HydrophobicContact CD2-CD1 3.88Å; F122-F196 AromaticContact CD2-CE1 3.61Å; F122-F196 HydrophobicContact CD2-CE1 3.61Å; F122-F196 HydrophobicContact CE2-CD1 4.01Å; F122-F196 HydrophobicContact CE2-CE1 4.09Å; F122-F196 HydrophobicContact CG-CE1 4.31Å; F122-I213 HydrophobicContact CE2-CG1 4.14Å; F122-I213 HydrophobicContact CE2-CG2 4.05Å
123N78.4Confident86.3Confident132 Ų13243.8 Ų43.871%0.70620%0.201SC*.THydrogen-bonded Turntrans76.65.9-170.6-50.9-0.8000115.1A121A121-N123 PolarHBondContact O-N 2.81Å
124H80.5Confident86.4Confident43 Ų4342.1 Ų42.120%0.19920%0.2CC..EExtended strand (participates in β ladder)trans-96.3151.6169.8-61.2-99.1000111.2K120 A121 F122 F126 Y172K120-H124 WeakPolarHBondContact CA-O 3.48Å; A121-H124 PolarHBondContact N-O 3.05Å; A121-H124 WeakPolarHBondContact O-CA 3.19Å; A121-H124 WeakPolarHBondContact O-CB 3.25Å; A121-H124 PolarHBondContact O-N 3.18Å; F122-H124 VanDerWaalsContact C-N 3.31Å; F122-H124 PolarHBondContact O-CD2 2.99Å; H124-F126 HydrophobicContact CB-CD1 3.87Å; H124-F126 HydrophobicContact CB-CE1 3.31Å; H124-F126 HydrophobicContact CB-CE2 4.16Å; H124-F126 HydrophobicContact CB-CG 4.49Å; H124-F126 HydrophobicContact CB-CZ 3.49Å; H124-F126 VanDerWaalsContact CB-CZ 3.49Å; H124-F126 AromaticContact CG-CE1 3.71Å; H124-F126 AromaticContact CG-CZ 3.9Å; H124-Y172 AromaticContact ND1-CZ 3.62Å; H124-Y172 PolarHBondContact ND1-OH 2.87Å
125K85.7Confident86.4Confident94 Ų9435.7 Ų35.741%0.40918%0.178SC..EExtended strand (participates in β ladder)trans-116.980.8172.6-177.6179.8177.5179.70107.4L118 I119 R127L118-K125 HydrophobicContact CD1-CG 3.88Å; I119-K125 CarbonylContact O-C 3.54Å; K125-R127 PolarHBondContact O-N 3.28Å; K125-R127 VanDerWaalsContact O-N 3.09Å
126F86.3Confident86.6Confident0 Ų035.2 Ų35.20%018%0.175CC..EExtended strand (participates in β ladder)trans-69.5107.4-179.5-50.1-55.7000109.5I119 A121 H124 L128 V169 I189 I191 F196 I213I119-F126 HydrophobicContact CB-CB 4.34Å; I119-F126 HydrophobicContact CB-CD2 4.35Å; I119-F126 HydrophobicContact CG2-CD2 4.01Å; I119-F126 PolarHBondContact N-O 2.87Å; I119-F126 PolarHBondContact O-N 2.79Å; A121-F126 HydrophobicContact CB-CE2 4.18Å; H124-F126 HydrophobicContact CB-CD1 3.87Å; H124-F126 HydrophobicContact CB-CE1 3.31Å; H124-F126 HydrophobicContact CB-CE2 4.16Å; H124-F126 HydrophobicContact CB-CG 4.49Å; H124-F126 HydrophobicContact CB-CZ 3.49Å; H124-F126 VanDerWaalsContact CB-CZ 3.49Å; H124-F126 AromaticContact CG-CE1 3.71Å; H124-F126 AromaticContact CG-CZ 3.9Å; F126-L128 HydrophobicContact CB-CD2 4.46Å; F126-V169 HydrophobicContact CB-CG1 4.33Å; F126-V169 HydrophobicContact CD1-CG1 4.31Å; F126-I189 HydrophobicContact CD2-CD1 4.03Å; F126-I189 HydrophobicContact CE2-CD1 4.42Å; F126-I189 HydrophobicContact CG-CD1 4.22Å; F126-I191 HydrophobicContact CD1-CD1 3.57Å; F126-I191 HydrophobicContact CE1-CD1 3.25Å; F126-I191 HydrophobicContact CZ-CD1 4.16Å; F126-F196 HydrophobicContact CE1-CE2 4.44Å; F126-F196 AromaticContact CZ-CD2 3.9Å; F126-F196 HydrophobicContact CZ-CD2 3.9Å; F126-F196 AromaticContact CZ-CE2 3.9Å; F126-F196 HydrophobicContact CZ-CE2 3.9Å; F126-F196 HydrophobicContact CZ-CG 4.34Å; F126-F196 HydrophobicContact CZ-CZ 4.33Å; F126-I213 HydrophobicContact CD2-CD1 4.36Å; F126-I213 HydrophobicContact CE2-CD1 3.89Å
127R88.6Confident86.7Confident75 Ų7535 Ų3528%0.28317%0.172SC..EExtended strand (participates in β ladder)trans-96.196.3167.2-178.9178.7-177.9172.45.3107.6L118 K125 K170L118-R127 HydrophobicContact CD1-CB 4.31Å; K125-R127 PolarHBondContact O-N 3.28Å; K125-R127 VanDerWaalsContact O-N 3.09Å; R127-K170 HydrophobicContact CB-CB 4.22Å; R127-K170 HydrophobicContact CB-CG 4.47Å; R127-K170 HydrophobicContact CG-CB 4.32Å; R127-K170 HydrophobicContact CG-CD 4.38Å; R127-K170 HydrophobicContact CG-CG 4.1Å; R127-K170 PolarHBondContact O-N 2.99Å
128L89.2Confident86.4Confident0 Ų035.1 Ų35.10%017%0.173CC..EExtended strand (participates in β ladder)trans-85.7126.7178.7-56.8177.4000109.1S116 L117 I119 F126 L130 T168 V169 A177 F179 I189S116-L128 CarbonylContact C-O 3.47Å; S116-L128 WeakPolarHBondContact CA-O 3.37Å; L117-L128 HydrophobicContact CB-CB 4.35Å; L117-L128 PolarHBondContact N-O 2.91Å; L117-L128 PolarHBondContact O-N 2.72Å; I119-L128 HydrophobicContact CD1-CD1 3.8Å; F126-L128 HydrophobicContact CB-CD2 4.46Å; L128-L130 HydrophobicContact CB-CD2 4.01Å; L128-L130 HydrophobicContact CB-CG 4.34Å; L128-T168 WeakPolarHBondContact CA-O 3Å; L128-V169 HydrophobicContact CD2-CB 4.33Å; L128-V169 HydrophobicContact CD2-CG1 4.17Å; L128-V169 HydrophobicContact CD2-CG2 3.78Å; L128-A177 HydrophobicContact CD2-CB 4.31Å; L128-F179 HydrophobicContact CD1-CD2 4.24Å; L128-F179 HydrophobicContact CD1-CE2 3.52Å; L128-F179 HydrophobicContact CD1-CZ 3.93Å; L128-I189 HydrophobicContact CD1-CD1 4.36Å; L128-I189 HydrophobicContact CD2-CD1 4.23Å; L128-I189 HydrophobicContact CD2-CG2 4.38Å
129D90Very high85.6Confident48 Ų4840.3 Ų40.326%0.25721%0.207SC..EExtended strand (participates in β ladder)trans-98.5121.9160-86.118.3000107.8S116 G167 T168 K170S116-D129 PolarHBondContact OG-OD1 2.66Å; D129-G167 CarbonylContact O-C 3.59Å; D129-G167 WeakPolarHBondContact O-CA 3.49Å; D129-T168 PolarHBondContact N-O 3.44Å; D129-T168 PolarHBondContact O-N 3.22Å; D129-K170 WeakPolarHBondContact OD1-CE 3.02Å; D129-K170 IonicContact OD1-NZ 2.79Å; D129-K170 WeakPolarHBondContact OD2-CE 3.37Å; D129-K170 IonicContact OD2-NZ 3.84Å; D129-K170 PolarHBondContact OD2-NZ 3.42Å
130L90Very high84.6Confident4 Ų445.5 Ų45.52%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-112.8139.6-175.6-56.8-173.2000111R114 T115 L117 L128 Y165 H166 F179R114-L130 WeakPolarHBondContact CA-O 3.29Å; T115-L130 HydrophobicContact CG2-CB 3.97Å; T115-L130 HydrophobicContact CG2-CD1 4.41Å; T115-L130 PolarHBondContact N-O 3.3Å; T115-L130 WeakPolarHBondContact O-CA 3.42Å; T115-L130 WeakPolarHBondContact O-CB 3.33Å; T115-L130 PolarHBondContact O-N 3.17Å; L117-L130 HydrophobicContact CD1-CD1 3.69Å; L117-L130 HydrophobicContact CG-CD1 3.98Å; L128-L130 HydrophobicContact CB-CD2 4.01Å; L128-L130 HydrophobicContact CB-CG 4.34Å; L130-Y165 HydrophobicContact CB-CD1 3.74Å; L130-Y165 HydrophobicContact CB-CG 4.14Å; L130-Y165 HydrophobicContact CD1-CG 4.48Å; L130-H166 CarbonylContact C-O 3.26Å; L130-H166 WeakPolarHBondContact CA-O 3.24Å; L130-F179 HydrophobicContact CD2-CD2 4.13Å
131E91.3Very high84.3Confident63 Ų6343 Ų4329%0.29423%0.225SC..EExtended strand (participates in β ladder)trans-127.2133.4176179.5161.3-114.600110.3H113 R114 N133 Y165 H166H113-E131 IonicContact CE1-OE1 2.69Å; H113-E131 WeakPolarHBondContact O-CA 3.3Å; R114-E131 HydrophobicContact CG-CB 4.39Å; R114-E131 HydrophobicContact CG-CG 4.33Å; R114-E131 IonicContact CZ-OE1 2.73Å; R114-E131 IonicContact NE-OE1 2.86Å; R114-E131 PolarHBondContact NE-OE1 2.93Å; R114-E131 IonicContact NH2-OE1 3.87Å; R114-E131 PolarHBondContact NH2-OE1 3.21Å; E131-N133 PolarHBondContact O-N 2.74Å; E131-Y165 VanDerWaalsContact O-CA 3.26Å; E131-Y165 WeakPolarHBondContact O-CA 3.42Å; E131-H166 PolarHBondContact N-O 2.86Å; E131-H166 PolarHBondContact O-N 2.78Å
132L89.2Confident84.1Confident22 Ų2247 Ų4712%0.11524%0.243CC..EExtended strand (participates in β ladder)trans-68.6128.1-173.9-173.372.5000110.2H113 S134 Y164 Y165H113-L132 WeakPolarHBondContact O-CB 3.32Å; H113-L132 PolarHBondContact O-N 3.06Å; L132-S134 VanDerWaalsContact C-N 3.29Å; L132-S134 PolarHBondContact O-N 3.44Å; L132-Y164 WeakPolarHBondContact CD1-O 3.25Å; L132-Y165 HydrophobicContact CB-CD1 4.18Å; L132-Y165 HydrophobicContact CB-CE1 3.83Å; L132-Y165 HydrophobicContact CD1-CD1 4.47Å; L132-Y165 HydrophobicContact CD1-CD2 4.22Å; L132-Y165 HydrophobicContact CD1-CE1 4.02Å; L132-Y165 HydrophobicContact CD1-CE2 3.73Å
133N91.1Very high84.3Confident7 Ų747.4 Ų47.44%0.03725%0.246CC..  trans-83.569.1-170.4-168.91.1000112.5E131 Q135 L136 H162 Y164 H166 N303 D306 R315E131-N133 PolarHBondContact O-N 2.74Å; N133-Q135 PolarHBondContact O-N 3.37Å; N133-L136 HydrophobicContact CB-CB 4.28Å; N133-L136 WeakPolarHBondContact O-CB 3.3Å; N133-L136 PolarHBondContact O-N 2.89Å; N133-H162 PolarHBondContact O-CE1 3.23Å; N133-H162 PolarHBondContact O-NE2 2.93Å; N133-Y164 PolarHBondContact N-O 3.31Å; N133-H166 PolarHBondContact ND2-NE2 3.41Å; N133-H166 VanDerWaalsContact ND2-NE2 3.17Å; N133-N303 PolarHBondContact ND2-OD1 3.29Å; N133-D306 PolarHBondContact ND2-OD2 3.45Å; N133-R315 PolarHBondContact OD1-NH2 3.13Å
134S84.6Confident84.7Confident64 Ų6443.4 Ų43.445%0.44822%0.222SC..THydrogen-bonded Turntrans-58.1-9.3-17364.70000116.5L132L132-S134 VanDerWaalsContact C-N 3.29Å; L132-S134 PolarHBondContact O-N 3.44Å
135Q85.7Confident84.9Confident41 Ų4142.8 Ų42.819%0.19222%0.219CC..THydrogen-bonded Turntrans-101.8-8.1178.4-51.7-53.6-76.700113.2N133 S317 K472N133-Q135 PolarHBondContact O-N 3.37Å; Q135-S317 VanDerWaalsContact O-CB 3.23Å; Q135-S317 WeakPolarHBondContact O-CB 3.36Å; Q135-S317 PolarHBondContact O-OG 2.6Å; Q135-K472 VanDerWaalsContact OE1-CE 3.31Å
136L89.7Confident84.9Confident0 Ų039.7 Ų39.70%021%0.205CC..SBendtrans-71.7-33.2-175.1178.964.7000113.9N133 Y164 I299 A302 N303 V318N133-L136 HydrophobicContact CB-CB 4.28Å; N133-L136 WeakPolarHBondContact O-CB 3.3Å; N133-L136 PolarHBondContact O-N 2.89Å; L136-Y164 HydrophobicContact CD2-CD1 4.29Å; L136-Y164 HydrophobicContact CD2-CD2 4.36Å; L136-Y164 HydrophobicContact CD2-CG 3.85Å; L136-I299 HydrophobicContact CD2-CG2 3.87Å; L136-I299 HydrophobicContact CG-CG2 4.42Å; L136-A302 HydrophobicContact CD1-CB 4.03Å; L136-N303 HydrophobicContact CD1-CB 4.46Å; L136-N303 HydrophobicContact CD2-CB 3.58Å; L136-V318 HydrophobicContact CD1-CG2 4.43Å; L136-V318 PolarHBondContact O-N 3Å
137L87Confident84.7Confident20 Ų2043.2 Ų43.211%0.10522%0.221CC..EExtended strand (participates in β ladder)trans-120.4124.9-177-62.8-178.9000108.8I141 I160 H162 Y164 I299 V318L137-I141 HydrophobicContact CD2-CD1 3.87Å; L137-I160 HydrophobicContact CD1-CG2 3.89Å; L137-H162 HydrophobicContact CD1-CB 4.27Å; L137-Y164 HydrophobicContact CD1-CD2 4.26Å; L137-Y164 HydrophobicContact CD1-CE2 4.18Å; L137-I299 HydrophobicContact CD2-CD1 4.26Å; L137-I299 HydrophobicContact CD2-CG1 4.36Å; L137-I299 HydrophobicContact CD2-CG2 3.79Å; L137-I299 HydrophobicContact CG-CG2 4.49Å; L137-V318 HydrophobicContact CD2-CB 4.17Å
138S81.3Confident84.2Confident4 Ų444.1 Ų44.13%0.02824%0.235CC..EExtended strand (participates in β ladder)trans-69.7137.3175.5103.90000109.8N140 I141 V318 N474S138-N140 PolarHBondContact O-N 2.66Å; S138-N140 VanDerWaalsContact O-N 3.08Å; S138-I141 VanDerWaalsContact O-CB 3.28Å; S138-I141 WeakPolarHBondContact O-CB 3.43Å; S138-I141 WeakPolarHBondContact O-CG2 3.02Å; S138-I141 PolarHBondContact O-N 2.79Å; S138-I141 PolarHBondContact OG-N 3.46Å; S138-V318 PolarHBondContact N-O 3.32Å; S138-V318 VanDerWaalsContact N-O 3.14Å; S138-N474 WeakPolarHBondContact CB-ND2 3.5Å; S138-N474 PolarHBondContact OG-ND2 3.05Å
139P69.4Low83.4Confident112 Ų11246.7 Ų46.773%0.72726%0.262SS*.EExtended strand (participates in β ladder)trans-49.8-33.6178.6-33.834.4000115.8N474P139-N474 VanDerWaalsContact CD-ND2 3.29Å; P139-N474 WeakPolarHBondContact CD-ND2 3.42Å; P139-N474 VanDerWaalsContact N-ND2 3.11Å
140N68.5Low82.4Confident111 Ų11145.4 Ų45.459%0.59426%0.26SS*.EExtended strand (participates in β ladder)trans-101.424.7179.8-65.5-39.8000113.3S138 Q142 N474S138-N140 PolarHBondContact O-N 2.66Å; S138-N140 VanDerWaalsContact O-N 3.08Å; N140-Q142 PolarHBondContact O-N 3.33Å; N140-Q142 VanDerWaalsContact O-N 3.14Å; N140-N474 PolarHBondContact N-ND2 2.8Å
141I78.6Confident81.7Confident32 Ų3251.7 Ų51.716%0.16428%0.284CS..EExtended strand (participates in β ladder)trans-48.9117.8-176.2-177.3169.2000112.6L137 S138 I160 V318 I321L137-I141 HydrophobicContact CD2-CD1 3.87Å; S138-I141 VanDerWaalsContact O-CB 3.28Å; S138-I141 WeakPolarHBondContact O-CB 3.43Å; S138-I141 WeakPolarHBondContact O-CG2 3.02Å; S138-I141 PolarHBondContact O-N 2.79Å; S138-I141 PolarHBondContact OG-N 3.46Å; I141-I160 HydrophobicContact CD1-CD1 4.03Å; I141-I160 HydrophobicContact CG1-CD1 4.4Å; I141-I160 HydrophobicContact CG2-CD1 4.19Å; I141-V318 HydrophobicContact CD1-CB 4.21Å; I141-V318 HydrophobicContact CD1-CG1 3.91Å; I141-V318 WeakPolarHBondContact CD1-O 3.02Å; I141-I321 HydrophobicContact CD1-CD1 3.88Å; I141-I321 HydrophobicContact CD1-CG1 4.12Å
142Q80.3Confident80.8Confident87 Ų8752.6 Ų52.641%0.40729%0.29SS..EExtended strand (participates in β ladder)trans-87.2136.9-178.3-75.2-175.760.300110.8N140 V319 Y320 I321N140-Q142 PolarHBondContact O-N 3.33Å; N140-Q142 VanDerWaalsContact O-N 3.14Å; Q142-V319 PolarHBondContact N-O 3.16Å; Q142-V319 VanDerWaalsContact N-O 3.16Å; Q142-Y320 HydrophobicContact CB-CD2 3.72Å; Q142-Y320 HydrophobicContact CB-CE2 4.21Å; Q142-Y320 WeakPolarHBondContact O-CA 3.45Å; Q142-Y320 VanDerWaalsContact O-CD2 3.28Å; Q142-Y320 WeakPolarHBondContact O-CD2 3.46Å; Q142-I321 PolarHBondContact O-N 3.02Å
143Q84.3Confident79.8Confident37 Ų3754.5 Ų54.517%0.17330%0.303CS..EExtended strand (participates in β ladder)trans-128.1132.1179.7-168-168.987.200112.1G155 R291 I321Q143-G155 WeakPolarHBondContact O-CA 3.37Å; Q143-R291 VanDerWaalsContact CD-NH2 3.32Å; Q143-I321 CarbonylContact C-O 3.51Å; Q143-I321 VanDerWaalsContact CA-O 3.28Å; Q143-I321 WeakPolarHBondContact CA-O 3.2Å; Q143-I321 HydrophobicContact CG-CB 4.44Å
144K86.9Confident78.2Confident47 Ų4759.8 Ų59.820%0.20433%0.331CS..EExtended strand (participates in β ladder)trans-125151.6173.2-68.3-168.2-154.8161.20113.4L152 Y320 I321 E322 T323K144-L152 HydrophobicContact CB-CD1 3.93Å; K144-L152 HydrophobicContact CD-CD1 4.02Å; K144-L152 HydrophobicContact CG-CD1 4.22Å; K144-Y320 HydrophobicContact CB-CE2 4.5Å; K144-Y320 HydrophobicContact CD-CE2 4.34Å; K144-Y320 WeakPolarHBondContact CD-OH 3.4Å; K144-Y320 HydrophobicContact CG-CE2 4.08Å; K144-Y320 WeakPolarHBondContact CG-OH 3.28Å; K144-I321 PolarHBondContact N-O 3.48Å; K144-E322 HydrophobicContact CB-CG 4.27Å; K144-T323 PolarHBondContact O-N 3.1Å; K144-T323 VanDerWaalsContact O-N 3.09Å; K144-T323 PolarHBondContact O-OG1 3.03Å
145H84.6Confident76.8Confident31 Ų3157 Ų5714%0.14431%0.312CS..EExtended strand (participates in β ladder)trans-132128.9175.6-169.538.2000111.8L152 V153 R291 T323H145-L152 CarbonylContact O-C 3.49Å; H145-L152 WeakPolarHBondContact O-CA 3.46Å; H145-V153 HydrophobicContact CB-CB 4.47Å; H145-V153 PolarHBondContact N-O 3.25Å; H145-V153 PolarHBondContact O-N 2.66Å; H145-V153 VanDerWaalsContact O-O 3.13Å; H145-R291 PolarHBondContact ND1-NE 3.26Å; H145-T323 PolarHBondContact ND1-O 3.27Å; H145-T323 PolarHBondContact ND1-OG1 3.21Å; H145-T323 VanDerWaalsContact ND1-OG1 3.07Å
146Y85.6Confident75.2Confident29 Ų2961.1 Ų61.111%0.11434%0.336CS..EExtended strand (participates in β ladder)trans-98.1119.5164.9-68.8-89.4000108.5L152 E322 T323 W324 G325 Q328Y146-L152 HydrophobicContact CE1-CB 4.33Å; Y146-L152 HydrophobicContact CE1-CD1 4.18Å; Y146-L152 HydrophobicContact CE2-CD1 4.17Å; Y146-E322 HydrophobicContact CD2-CG 4.2Å; Y146-E322 HydrophobicContact CE2-CG 4.01Å; Y146-T323 PolarHBondContact N-O 2.02Å; Y146-W324 AromaticContact CD2-CD1 3.81Å; Y146-G325 VanDerWaalsContact O-CA 3.3Å; Y146-G325 WeakPolarHBondContact O-CA 3.38Å; Y146-G325 PolarHBondContact O-N 2.78Å; Y146-Q328 VanDerWaalsContact CD1-CD 3.45Å; Y146-Q328 HydrophobicContact CD1-CG 4.07Å; Y146-Q328 HydrophobicContact CD2-CG 3.84Å; Y146-Q328 HydrophobicContact CE1-CG 4.23Å; Y146-Q328 HydrophobicContact CE2-CG 4.01Å; Y146-Q328 HydrophobicContact CG-CG 3.86Å
147H81.7Confident73.3Confident73 Ų7372 Ų7234%0.33838%0.377SS..  trans-66.8166.9175.4-175.5-119.1000110.8G149 G150 Y151 V153H147-G149 PolarHBondContact ND1-N 2.81Å; H147-G149 PolarHBondContact O-N 3.22Å; H147-G149 VanDerWaalsContact O-N 3.13Å; H147-G150 WeakPolarHBondContact O-CA 3.26Å; H147-G150 PolarHBondContact O-N 2.75Å; H147-Y151 HydrophobicContact CB-CD1 4.47Å; H147-Y151 HydrophobicContact CB-CD2 4.11Å; H147-Y151 HydrophobicContact CB-CE1 4.16Å; H147-Y151 HydrophobicContact CB-CE2 3.77Å; H147-Y151 HydrophobicContact CB-CG 4.45Å; H147-Y151 PolarHBondContact CE1-OH 2.73Å; H147-Y151 AromaticContact CG-CZ 3.71Å; H147-Y151 PolarHBondContact N-O 2.77Å; H147-Y151 AromaticContact ND1-CE1 3.38Å; H147-Y151 WeakPolarHBondContact ND1-CE1 3.17Å; H147-Y151 AromaticContact ND1-CZ 3.21Å; H147-Y151 PolarHBondContact ND1-OH 3.04Å; H147-V153 HydrophobicContact CB-CG2 3.96Å
148V80.2Confident71.5Confident95 Ų9577.4 Ų77.458%0.57640%0.401SS*.THydrogen-bonded Turntrans-58.6-27.2176.5-173.80000112.1G150V148-G150 PolarHBondContact O-N 2.98Å
149G70.4Confident70.5Confident54 Ų5482 Ų8256%0.55743%0.426SS*.THydrogen-bonded Turntrans-70.2-7.9171.200000115.3H147 Y151H147-G149 PolarHBondContact ND1-N 2.81Å; H147-G149 PolarHBondContact O-N 3.22Å; H147-G149 VanDerWaalsContact O-N 3.13Å; G149-Y151 VanDerWaalsContact C-N 3.33Å; G149-Y151 PolarHBondContact O-N 3.09Å
150G70.9Confident70.6Confident21 Ų2179 Ų7922%0.21640%0.403CS..SBendtrans83.6-5-179.200000115.6H147 V148H147-G150 WeakPolarHBondContact O-CA 3.26Å; H147-G150 PolarHBondContact O-N 2.75Å; V148-G150 PolarHBondContact O-N 2.98Å
151Y74.7Confident71.1Confident135 Ų13575.6 Ų75.653%0.52938%0.383SS..  trans-78.9147.7172.357.8-92000111.5H147 G149 V153H147-Y151 HydrophobicContact CB-CD1 4.47Å; H147-Y151 HydrophobicContact CB-CD2 4.11Å; H147-Y151 HydrophobicContact CB-CE1 4.16Å; H147-Y151 HydrophobicContact CB-CE2 3.77Å; H147-Y151 HydrophobicContact CB-CG 4.45Å; H147-Y151 PolarHBondContact CE1-OH 2.73Å; H147-Y151 AromaticContact CG-CZ 3.71Å; H147-Y151 PolarHBondContact N-O 2.77Å; H147-Y151 AromaticContact ND1-CE1 3.38Å; H147-Y151 WeakPolarHBondContact ND1-CE1 3.17Å; H147-Y151 AromaticContact ND1-CZ 3.21Å; H147-Y151 PolarHBondContact ND1-OH 3.04Å; G149-Y151 VanDerWaalsContact C-N 3.33Å; G149-Y151 PolarHBondContact O-N 3.09Å; Y151-V153 HydrophobicContact CD2-CG2 3.85Å; Y151-V153 HydrophobicContact CE2-CG2 3.54Å; Y151-V153 PolarHBondContact O-N 3.48Å
152L71.6Confident71.3Confident82 Ų8276.3 Ų76.343%0.42939%0.386SS..EExtended strand (participates in β ladder)trans-67.4126.2170-17374.7000109K144 H145 Y146K144-L152 HydrophobicContact CB-CD1 3.93Å; K144-L152 HydrophobicContact CD-CD1 4.02Å; K144-L152 HydrophobicContact CG-CD1 4.22Å; H145-L152 CarbonylContact O-C 3.49Å; H145-L152 WeakPolarHBondContact O-CA 3.46Å; Y146-L152 HydrophobicContact CE1-CB 4.33Å; Y146-L152 HydrophobicContact CE1-CD1 4.18Å; Y146-L152 HydrophobicContact CE2-CD1 4.17Å
153V67.8Low71.7Confident62 Ų6272.1 Ų72.138%0.37637%0.366SS..EExtended strand (participates in β ladder)trans-102.1115.7159.81750000105H145 H147 Y151 G155H145-V153 HydrophobicContact CB-CB 4.47Å; H145-V153 PolarHBondContact N-O 3.25Å; H145-V153 PolarHBondContact O-N 2.66Å; H145-V153 VanDerWaalsContact O-O 3.13Å; H147-V153 HydrophobicContact CB-CG2 3.96Å; Y151-V153 HydrophobicContact CD2-CG2 3.85Å; Y151-V153 HydrophobicContact CE2-CG2 3.54Å; Y151-V153 PolarHBondContact O-N 3.48Å; V153-G155 PolarHBondContact O-N 2.7Å
154D58.1Low72.1Confident119 Ų11970.4 Ų70.464%0.63636%0.358SS*.EExtended strand (participates in β ladder)trans-61.5136-177.5-165.423.2000110.4N156D154-N156 PolarHBondContact O-N 3.33Å
155G55Low72.4Confident5 Ų568.1 Ų68.15%0.05235%0.348CS..  trans-79.2112.2177.200000108.1Q143 V153 R157Q143-G155 WeakPolarHBondContact O-CA 3.37Å; V153-G155 PolarHBondContact O-N 2.7Å; G155-R157 PolarHBondContact O-N 3.43Å; G155-R157 VanDerWaalsContact O-N 3.08Å
156N51.7Low72.9Confident128 Ų12866.9 Ų66.968%0.68434%0.343SS*.  trans-43.5124.3167.6-95.816.4000108.7D154 H158D154-N156 PolarHBondContact O-N 3.33Å; N156-H158 HydrophobicContact CB-CB 4.38Å; N156-H158 PolarHBondContact O-N 2.95Å
157R51.2Low73.1Confident228 Ų22866.1 Ų66.186%0.8634%0.343SS*.SBendtrans-68.938.4177-64.4-177.3172.8-165.6-2.9112.5G155G155-R157 PolarHBondContact O-N 3.43Å; G155-R157 VanDerWaalsContact O-N 3.08Å
158H49.2Very low73.5Confident134 Ų13466.8 Ų66.862%0.6235%0.353SS*.  trans-135.4113.2-165.4-62.1-13.5000109.7N156N156-H158 HydrophobicContact CB-CB 4.38Å; N156-H158 PolarHBondContact O-N 2.95Å
159D59.2Low73.9Confident101 Ų10162.5 Ų62.554%0.5433%0.327SS..  trans77.350.6148.3-47.7-20.5000116.8K109 E161K109-D159 VanDerWaalsContact CE-CG 3.41Å; K109-D159 WeakPolarHBondContact CE-OD1 3.37Å; K109-D159 WeakPolarHBondContact CE-OD2 3.28Å; K109-D159 IonicContact NZ-OD1 3.33Å; K109-D159 PolarHBondContact NZ-OD1 2.04Å; K109-D159 IonicContact NZ-OD2 3.31Å; K109-D159 PolarHBondContact NZ-OD2 3.15Å; D159-E161 PolarHBondContact O-N 2.92Å
160I72.8Confident74.3Confident47 Ų4763.6 Ų63.624%0.24132%0.316CS..  trans-66.6109.6148.3-61.7179.3000107.1L137 I141 H162 I299 I321L137-I160 HydrophobicContact CD1-CG2 3.89Å; I141-I160 HydrophobicContact CD1-CD1 4.03Å; I141-I160 HydrophobicContact CG1-CD1 4.4Å; I141-I160 HydrophobicContact CG2-CD1 4.19Å; I160-H162 PolarHBondContact O-N 2.03Å; I160-I299 HydrophobicContact CG2-CD1 3.72Å; I160-I321 HydrophobicContact CD1-CD1 4.25Å
161E78.4Confident74.9Confident40 Ų4068.8 Ų68.819%0.18734%0.339CS..  trans-70.1120-178.4-175.4177-112.100111.2R84 H111 D159 C163 Y164 C182R84-E161 IonicContact CZ-OE1 3.86Å; R84-E161 VanDerWaalsContact CZ-OE1 3.28Å; R84-E161 IonicContact CZ-OE2 2.72Å; R84-E161 IonicContact NE-OE1 2.67Å; R84-E161 PolarHBondContact NE-OE1 3.06Å; R84-E161 IonicContact NE-OE2 3.74Å; R84-E161 VanDerWaalsContact NH2-CD 3.25Å; R84-E161 IonicContact NH2-OE1 3.35Å; R84-E161 PolarHBondContact NH2-OE1 3.28Å; R84-E161 IonicContact NH2-OE2 3.57Å; R84-E161 PolarHBondContact NH2-OE2 2.89Å; H111-E161 WeakPolarHBondContact NE2-CG 3.37Å; H111-E161 IonicContact NE2-OE1 3.89Å; H111-E161 PolarHBondContact NE2-OE1 2.95Å; H111-E161 IonicContact NE2-OE2 2.84Å; D159-E161 PolarHBondContact O-N 2.92Å; E161-C163 HydrophobicContact CG-CB 4.45Å; E161-C163 PolarHBondContact O-N 3.46Å; E161-C163 VanDerWaalsContact O-N 3.15Å; E161-Y164 WeakPolarHBondContact O-CE2 3.27Å; E161-C182 WeakPolarHBondContact OE2-CA 3Å; E161-C182 VanDerWaalsContact OE2-CB 3.25Å; E161-C182 WeakPolarHBondContact OE2-CB 3.36Å; E161-C182 PolarHBondContact OE2-SG 3.25Å
162H82.7Confident75.3Confident47 Ų4766 Ų6622%0.21833%0.328CS..  trans-85.488.9-179.8-172.951.3000111H111 N133 L137 I160 Y164H111-H162 PolarHBondContact CD2-O 2.86Å; H111-H162 VanDerWaalsContact CD2-O 3.25Å; N133-H162 PolarHBondContact O-CE1 3.23Å; N133-H162 PolarHBondContact O-NE2 2.93Å; L137-H162 HydrophobicContact CD1-CB 4.27Å; I160-H162 PolarHBondContact O-N 2.03Å; H162-Y164 AromaticContact ND1-CD2 3.93Å
163C89.6Confident75.7Confident0 Ų068.4 Ų68.40%035%0.349CS..  trans-119.419.4-174.470.10000113.4E161 Y165 H180 T181 C182E161-C163 HydrophobicContact CG-CB 4.45Å; E161-C163 PolarHBondContact O-N 3.46Å; E161-C163 VanDerWaalsContact O-N 3.15Å; C163-Y165 VanDerWaalsContact O-CD2 3.22Å; C163-Y165 WeakPolarHBondContact O-CD2 3.41Å; C163-Y165 WeakPolarHBondContact O-CE2 3.35Å; C163-H180 WeakPolarHBondContact O-CA 3.24Å; C163-T181 PolarHBondContact O-N 2.04Å; C163-T181 PolarHBondContact O-OG1 2.79Å; C163-C182 HydrophobicContact CB-CB 3.94Å; C163-C182 WeakPolarHBondContact CB-SG 3Å; C163-C182 VanDerWaalsContact SG-CA 3.56Å; C163-C182 WeakPolarHBondContact SG-CB 3.31Å; C163-C182 PolarHBondContact SG-N 3.1Å; C163-C182 CovalentContact SG-SG 2.02Å; C163-C182 PolarHBondContact SG-SG 2.92Å
164Y92.4Very high76.2Confident0 Ų069.1 Ų69.10%037%0.368CS..EExtended strand (participates in β ladder)trans-101.9131.6-167.9-56.9-90.6000111L132 N133 L136 L137 E161 H162 H180 H296 I299 Q300 N303L132-Y164 WeakPolarHBondContact CD1-O 3.25Å; N133-Y164 PolarHBondContact N-O 3.31Å; L136-Y164 HydrophobicContact CD2-CD1 4.29Å; L136-Y164 HydrophobicContact CD2-CD2 4.36Å; L136-Y164 HydrophobicContact CD2-CG 3.85Å; L137-Y164 HydrophobicContact CD1-CD2 4.26Å; L137-Y164 HydrophobicContact CD1-CE2 4.18Å; E161-Y164 WeakPolarHBondContact O-CE2 3.27Å; H162-Y164 AromaticContact ND1-CD2 3.93Å; Y164-H180 HydrophobicContact CD1-CB 3.45Å; Y164-H180 VanDerWaalsContact CD1-CB 3.45Å; Y164-H180 HydrophobicContact CE1-CB 3.6Å; Y164-H180 HydrophobicContact CG-CB 4.25Å; Y164-H296 PolarHBondContact OH-ND1 3.07Å; Y164-I299 HydrophobicContact CD1-CG2 3.87Å; Y164-I299 HydrophobicContact CD2-CG2 3.96Å; Y164-I299 HydrophobicContact CE1-CB 3.83Å; Y164-I299 HydrophobicContact CE1-CG2 3.49Å; Y164-I299 VanDerWaalsContact CE1-CG2 3.49Å; Y164-I299 HydrophobicContact CE2-CB 4.35Å; Y164-I299 HydrophobicContact CE2-CG2 3.58Å; Y164-I299 HydrophobicContact CG-CG2 4.11Å; Y164-Q300 HydrophobicContact CE1-CB 4.34Å; Y164-N303 HydrophobicContact CD1-CB 4.44Å
165Y93.1Very high77.6Confident0 Ų063.8 Ų63.80%034%0.341CS..EExtended strand (participates in β ladder)trans-128.8146-170.9-68.3-99.7000111.1T83 F112 T115 L130 E131 L132 C163 A178 F179 T181 N303T83-Y165 HydrophobicContact CG2-CE2 4.28Å; F112-Y165 WeakPolarHBondContact O-CE1 3.45Å; F112-Y165 PolarHBondContact O-OH 2.8Å; T115-Y165 HydrophobicContact CG2-CD1 4.44Å; T115-Y165 HydrophobicContact CG2-CE1 3.99Å; L130-Y165 HydrophobicContact CB-CD1 3.74Å; L130-Y165 HydrophobicContact CB-CG 4.14Å; L130-Y165 HydrophobicContact CD1-CG 4.48Å; E131-Y165 VanDerWaalsContact O-CA 3.26Å; E131-Y165 WeakPolarHBondContact O-CA 3.42Å; L132-Y165 HydrophobicContact CB-CD1 4.18Å; L132-Y165 HydrophobicContact CB-CE1 3.83Å; L132-Y165 HydrophobicContact CD1-CD1 4.47Å; L132-Y165 HydrophobicContact CD1-CD2 4.22Å; L132-Y165 HydrophobicContact CD1-CE1 4.02Å; L132-Y165 HydrophobicContact CD1-CE2 3.73Å; C163-Y165 VanDerWaalsContact O-CD2 3.22Å; C163-Y165 WeakPolarHBondContact O-CD2 3.41Å; C163-Y165 WeakPolarHBondContact O-CE2 3.35Å; Y165-A178 WeakPolarHBondContact O-CA 3.26Å; Y165-F179 PolarHBondContact N-O 3.05Å; Y165-F179 PolarHBondContact O-N 3.19Å; Y165-T181 HydrophobicContact CD2-CG2 4.34Å; Y165-T181 HydrophobicContact CE2-CG2 4.38Å; Y165-T181 WeakPolarHBondContact CE2-OG1 3.45Å; Y165-N303 PolarHBondContact O-ND2 2.84Å; Y165-N303 VanDerWaalsContact O-ND2 3.17Å
166H94Very high79.2Confident5 Ų564.8 Ų64.82%0.02335%0.347CS..EExtended strand (participates in β ladder)trans-98.8164.1154.8-76-176.1000109L130 E131 N133 A177 N303 D306 L307 R310L130-H166 CarbonylContact C-O 3.26Å; L130-H166 WeakPolarHBondContact CA-O 3.24Å; E131-H166 PolarHBondContact N-O 2.86Å; E131-H166 PolarHBondContact O-N 2.78Å; N133-H166 PolarHBondContact ND2-NE2 3.41Å; N133-H166 VanDerWaalsContact ND2-NE2 3.17Å; H166-A177 CarbonylContact C-O 3.46Å; H166-A177 WeakPolarHBondContact CA-O 3.4Å; H166-N303 PolarHBondContact CD2-OD1 2.96Å; H166-N303 VanDerWaalsContact CD2-OD1 3.28Å; H166-N303 PolarHBondContact NE2-O 2.96Å; H166-N303 PolarHBondContact NE2-OD1 3.24Å; H166-D306 IonicContact CE1-OD2 2.69Å; H166-D306 PolarHBondContact CE1-OD2 2.76Å; H166-D306 IonicContact NE2-OD2 3.15Å; H166-D306 PolarHBondContact NE2-OD2 2.6Å; H166-L307 PolarHBondContact CE1-N 3.25Å; H166-R310 PolarHBondContact ND1-NH1 2.87Å
167G89.9Confident81.2Confident12 Ų1258.7 Ų58.712%0.12431%0.314CS..EExtended strand (participates in β ladder)trans-165.8172.8174.700000115.3D129 A177D129-G167 CarbonylContact O-C 3.59Å; D129-G167 WeakPolarHBondContact O-CA 3.49Å; G167-A177 PolarHBondContact N-O 2.61Å; G167-A177 PolarHBondContact O-N 2.78Å
168T90.8Very high83.2Confident87 Ų8747.8 Ų47.853%0.53427%0.273SS..EExtended strand (participates in β ladder)trans-122.3154.417458.80000109.9L128 D129L128-T168 WeakPolarHBondContact CA-O 3Å; D129-T168 PolarHBondContact N-O 3.44Å; D129-T168 PolarHBondContact O-N 3.22Å
169V89Confident85.3Confident6 Ų641.4 Ų41.44%0.03624%0.244CC..EExtended strand (participates in β ladder)trans-99.5119.9176.8-160.70000107.9F126 L128 Y172 A175 I189 I191F126-V169 HydrophobicContact CB-CG1 4.33Å; F126-V169 HydrophobicContact CD1-CG1 4.31Å; L128-V169 HydrophobicContact CD2-CB 4.33Å; L128-V169 HydrophobicContact CD2-CG1 4.17Å; L128-V169 HydrophobicContact CD2-CG2 3.78Å; V169-Y172 HydrophobicContact CG1-CD2 3.86Å; V169-Y172 PolarHBondContact O-N 3.36Å; V169-A175 HydrophobicContact CB-CB 3.97Å; V169-A175 HydrophobicContact CG2-CB 3.65Å; V169-I189 HydrophobicContact CG2-CG2 3.57Å; V169-I191 HydrophobicContact CG1-CD1 4.47Å; V169-I191 HydrophobicContact CG2-CD1 4.34Å; V169-I191 HydrophobicContact CG2-CG1 4.24Å
170K79.1Confident86.8Confident76 Ų7637.2 Ų37.233%0.3322%0.221SC..THydrogen-bonded Turntrans-62.6154.4170.5-51.2-148-170.5-149.20109.3R127 D129 Y172R127-K170 HydrophobicContact CB-CB 4.22Å; R127-K170 HydrophobicContact CB-CG 4.47Å; R127-K170 HydrophobicContact CG-CB 4.32Å; R127-K170 HydrophobicContact CG-CD 4.38Å; R127-K170 HydrophobicContact CG-CG 4.1Å; R127-K170 PolarHBondContact O-N 2.99Å; D129-K170 WeakPolarHBondContact OD1-CE 3.02Å; D129-K170 IonicContact OD1-NZ 2.79Å; D129-K170 WeakPolarHBondContact OD2-CE 3.37Å; D129-K170 IonicContact OD2-NZ 3.84Å; D129-K170 PolarHBondContact OD2-NZ 3.42Å; K170-Y172 WeakPolarHBondContact O-CD2 3.26Å; K170-Y172 PolarHBondContact O-N 3.18Å
171D82Confident87.6Confident131 Ų13135.1 Ų35.170%0.70121%0.21SC*.THydrogen-bonded Turntrans69-8.3-176.8-39-40.1000115.1
172Y82.9Confident87.8Confident76 Ų7633.2 Ų33.230%0.29820%0.201SC..SBendtrans-123.385.1177-64.6-82.9000112H124 V169 K170 G174 A175 I191H124-Y172 AromaticContact ND1-CZ 3.62Å; H124-Y172 PolarHBondContact ND1-OH 2.87Å; V169-Y172 HydrophobicContact CG1-CD2 3.86Å; V169-Y172 PolarHBondContact O-N 3.36Å; K170-Y172 WeakPolarHBondContact O-CD2 3.26Å; K170-Y172 PolarHBondContact O-N 3.18Å; Y172-G174 PolarHBondContact O-N 2.98Å; Y172-A175 VanDerWaalsContact O-CB 3.26Å; Y172-A175 WeakPolarHBondContact O-CB 3.39Å; Y172-A175 PolarHBondContact O-N 3.1Å; Y172-A175 VanDerWaalsContact O-N 3.08Å; Y172-I191 HydrophobicContact CD1-CG2 3.64Å; Y172-I191 HydrophobicContact CE1-CG2 4.18Å; Y172-I191 HydrophobicContact CG-CG2 4.03Å
173P80.7Confident87.7Confident133 Ų13334.6 Ų34.686%0.86421%0.21SC*.THydrogen-bonded Turntrans-61.7130.2-178.625.5-34.2000111.7A175P173-A175 VanDerWaalsContact C-N 3.32Å
174G78.6Confident87.4Confident76 Ų7634.7 Ų34.778%0.78421%0.211SC*.THydrogen-bonded Turntrans83-1.3-176.500000115.2Y172Y172-G174 PolarHBondContact O-N 2.98Å
175A86.7Confident87.2Confident8 Ų834.7 Ų34.77%0.06621%0.211CC..  trans-77.5139.9170.200000111.8V169 Y172 P173 H190 I191V169-A175 HydrophobicContact CB-CB 3.97Å; V169-A175 HydrophobicContact CG2-CB 3.65Å; Y172-A175 VanDerWaalsContact O-CB 3.26Å; Y172-A175 WeakPolarHBondContact O-CB 3.39Å; Y172-A175 PolarHBondContact O-N 3.1Å; Y172-A175 VanDerWaalsContact O-N 3.08Å; P173-A175 VanDerWaalsContact C-N 3.32Å; A175-H190 VanDerWaalsContact CA-O 3.28Å; A175-H190 WeakPolarHBondContact CA-O 3.03Å; A175-H190 WeakPolarHBondContact CB-O 3.26Å; A175-I191 HydrophobicContact CB-CB 4.35Å; A175-I191 HydrophobicContact CB-CG1 3.7Å
176S90Very high87Confident25 Ų2535.1 Ų35.118%0.17521%0.214CC..EExtended strand (participates in β ladder)trans-130157.2-175.1640000112.3H190S176-H190 PolarHBondContact N-O 3.23Å; S176-H190 VanDerWaalsContact N-O 3.16Å; S176-H190 PolarHBondContact O-N 3.08Å
177A92.5Very high86.9Confident0 Ų035 Ų350%021%0.214CC..EExtended strand (participates in β ladder)trans-140.9144.1-175.300000111.6L128 H166 G167 F179 V188L128-A177 HydrophobicContact CD2-CB 4.31Å; H166-A177 CarbonylContact C-O 3.46Å; H166-A177 WeakPolarHBondContact CA-O 3.4Å; G167-A177 PolarHBondContact N-O 2.61Å; G167-A177 PolarHBondContact O-N 2.78Å; A177-F179 HydrophobicContact CB-CD2 3.95Å; A177-F179 HydrophobicContact CB-CE2 3.76Å; A177-V188 WeakPolarHBondContact CA-O 3.47Å
178A94.2Very high87Confident0 Ų034.4 Ų34.40%021%0.208CC..EExtended strand (participates in β ladder)trans-137.5122.317000000109.8Y165 G187 V188 Q300 I304 L307Y165-A178 WeakPolarHBondContact O-CA 3.26Å; A178-G187 VanDerWaalsContact O-CA 3.28Å; A178-G187 WeakPolarHBondContact O-CA 3.11Å; A178-V188 PolarHBondContact N-O 3.13Å; A178-V188 VanDerWaalsContact N-O 3.08Å; A178-V188 PolarHBondContact O-N 2.99Å; A178-Q300 PolarHBondContact O-NE2 3.47Å; A178-I304 HydrophobicContact CB-CG1 3.83Å; A178-L307 HydrophobicContact CB-CD2 3.84Å
179F92.9Very high87.1Confident0 Ų030.2 Ų30.20%018%0.182CC..EExtended strand (participates in β ladder)trans-137.9154.7-170-79.1-80.4000112.3L128 L130 Y165 A177 V185 S186 I189 I198 N303L128-F179 HydrophobicContact CD1-CD2 4.24Å; L128-F179 HydrophobicContact CD1-CE2 3.52Å; L128-F179 HydrophobicContact CD1-CZ 3.93Å; L130-F179 HydrophobicContact CD2-CD2 4.13Å; Y165-F179 PolarHBondContact N-O 3.05Å; Y165-F179 PolarHBondContact O-N 3.19Å; A177-F179 HydrophobicContact CB-CD2 3.95Å; A177-F179 HydrophobicContact CB-CE2 3.76Å; F179-V185 HydrophobicContact CD1-CG1 3.59Å; F179-V185 HydrophobicContact CE1-CG1 3.83Å; F179-V185 HydrophobicContact CG-CG1 4.44Å; F179-S186 CarbonylContact C-O 3.54Å; F179-S186 WeakPolarHBondContact CA-O 3.4Å; F179-S186 WeakPolarHBondContact CD1-O 3.38Å; F179-I189 HydrophobicContact CE2-CG1 3.87Å; F179-I189 HydrophobicContact CZ-CD1 4.18Å; F179-I189 HydrophobicContact CZ-CG1 3.63Å; F179-I198 HydrophobicContact CE1-CB 4.09Å; F179-I198 HydrophobicContact CE1-CD1 3.89Å; F179-I198 HydrophobicContact CE1-CG1 4.2Å; F179-I198 HydrophobicContact CZ-CD1 3.86Å; F179-I198 HydrophobicContact CZ-CG1 4.38Å; F179-N303 PolarHBondContact O-ND2 3.47Å
180H91Very high87Confident13 Ų1330 Ų306%0.0618%0.181CC..EExtended strand (participates in β ladder)trans-121.6157.6158.773.9113.5000111.1C163 Y164 S186C163-H180 WeakPolarHBondContact O-CA 3.24Å; Y164-H180 HydrophobicContact CD1-CB 3.45Å; Y164-H180 VanDerWaalsContact CD1-CB 3.45Å; Y164-H180 HydrophobicContact CE1-CB 3.6Å; Y164-H180 HydrophobicContact CG-CB 4.25Å; H180-S186 PolarHBondContact CD2-O 3.49Å; H180-S186 VanDerWaalsContact CD2-O 3.31Å; H180-S186 PolarHBondContact N-O 2.89Å; H180-S186 WeakPolarHBondContact NE2-CB 3.33Å; H180-S186 PolarHBondContact NE2-OG 3.3Å; H180-S186 VanDerWaalsContact NE2-OG 3.11Å; H180-S186 PolarHBondContact O-N 2.98Å
181T88.6Confident87.3Confident2 Ų227 Ų271%0.01217%0.168CC..  trans-130.7-0.3-170.8520000115.1T83 C163 Y165 N183 G184 V185T83-T181 HydrophobicContact CG2-CG2 3.91Å; T83-T181 WeakPolarHBondContact OG1-CB 3.31Å; T83-T181 PolarHBondContact OG1-OG1 2.04Å; C163-T181 PolarHBondContact O-N 2.04Å; C163-T181 PolarHBondContact O-OG1 2.79Å; Y165-T181 HydrophobicContact CD2-CG2 4.34Å; Y165-T181 HydrophobicContact CE2-CG2 4.38Å; Y165-T181 WeakPolarHBondContact CE2-OG1 3.45Å; T181-N183 VanDerWaalsContact C-N 3.34Å; T181-N183 PolarHBondContact O-N 3.3Å; T181-G184 CarbonylContact C-O 3.58Å; T181-G184 WeakPolarHBondContact CA-O 3.01Å; T181-G184 PolarHBondContact O-N 3Å; T181-V185 HydrophobicContact CG2-CG2 4.47Å
182C84.1Confident87Confident0 Ų023.2 Ų23.20%016%0.16CC..THydrogen-bonded Turntrans-49.8-49.8-177.2-71.60000112.8R84 E161 C163 H296R84-C182 VanDerWaalsContact CZ-O 3.28Å; R84-C182 PolarHBondContact NH1-O 2.63Å; R84-C182 PolarHBondContact NH2-O 2.95Å; E161-C182 WeakPolarHBondContact OE2-CA 3Å; E161-C182 VanDerWaalsContact OE2-CB 3.25Å; E161-C182 WeakPolarHBondContact OE2-CB 3.36Å; E161-C182 PolarHBondContact OE2-SG 3.25Å; C163-C182 HydrophobicContact CB-CB 3.94Å; C163-C182 WeakPolarHBondContact CB-SG 3Å; C163-C182 VanDerWaalsContact SG-CA 3.56Å; C163-C182 WeakPolarHBondContact SG-CB 3.31Å; C163-C182 PolarHBondContact SG-N 3.1Å; C163-C182 CovalentContact SG-SG 2.02Å; C163-C182 PolarHBondContact SG-SG 2.92Å; C182-H296 PolarHBondContact SG-CE1 2.74Å
183N80.3Confident86.6Confident77 Ų7724.2 Ų24.241%0.41217%0.17SC..THydrogen-bonded Turntrans-122.346.2-176.6-64.3-35000110.2T181T181-N183 VanDerWaalsContact C-N 3.34Å; T181-N183 PolarHBondContact O-N 3.3Å
184G82.2Confident86.5Confident1 Ų120.4 Ų20.41%0.0114%0.141CC..SBendtrans88.5171.7-170.400000113.1T181 S186T181-G184 CarbonylContact C-O 3.58Å; T181-G184 WeakPolarHBondContact CA-O 3.01Å; T181-G184 PolarHBondContact O-N 3Å; G184-S186 PolarHBondContact O-N 3.41Å
185V88Confident86.9Confident0 Ų017.1 Ų17.10%011%0.106CC..  trans-75115.6-174.4-174.80000111.3P70 I81 L117 F179 T181 H211P70-V185 HydrophobicContact CB-CG2 4.39Å; I81-V185 HydrophobicContact CB-CG2 4.16Å; I81-V185 HydrophobicContact CG2-CG2 4.28Å; L117-V185 HydrophobicContact CD1-CG1 3.86Å; L117-V185 HydrophobicContact CD1-CG2 3.79Å; F179-V185 HydrophobicContact CD1-CG1 3.59Å; F179-V185 HydrophobicContact CE1-CG1 3.83Å; F179-V185 HydrophobicContact CG-CG1 4.44Å; T181-V185 HydrophobicContact CG2-CG2 4.47Å; V185-H211 PolarHBondContact N-NE2 3.5Å; V185-H211 PolarHBondContact O-CD2 3.12Å
186S90.4Very high87Confident10 Ų1016.9 Ų16.97%0.0710%0.103CC..EExtended strand (participates in β ladder)trans-136.8134.1178.4174.10000109.9F179 H180 G184 I198F179-S186 CarbonylContact C-O 3.54Å; F179-S186 WeakPolarHBondContact CA-O 3.4Å; F179-S186 WeakPolarHBondContact CD1-O 3.38Å; H180-S186 PolarHBondContact CD2-O 3.49Å; H180-S186 VanDerWaalsContact CD2-O 3.31Å; H180-S186 PolarHBondContact N-O 2.89Å; H180-S186 WeakPolarHBondContact NE2-CB 3.33Å; H180-S186 PolarHBondContact NE2-OG 3.3Å; H180-S186 VanDerWaalsContact NE2-OG 3.11Å; H180-S186 PolarHBondContact O-N 2.98Å; G184-S186 PolarHBondContact O-N 3.41Å; S186-I198 WeakPolarHBondContact CA-O 3.36Å
187G91.6Very high87.1Confident1 Ų115.8 Ų15.81%0.0110%0.096CC..EExtended strand (participates in β ladder)trans157.1-161.5-175.900000115.1A178 I198A178-G187 VanDerWaalsContact O-CA 3.28Å; A178-G187 WeakPolarHBondContact O-CA 3.11Å; G187-I198 PolarHBondContact N-O 2.8Å; G187-I198 PolarHBondContact O-N 3.31Å
188V92.4Very high87Confident0 Ų015.8 Ų15.80%010%0.096CC..EExtended strand (participates in β ladder)trans-134.6150.7-172.1-57.30000113.2A177 A178 F196 V197 I304 H399A177-V188 WeakPolarHBondContact CA-O 3.47Å; A178-V188 PolarHBondContact N-O 3.13Å; A178-V188 VanDerWaalsContact N-O 3.08Å; A178-V188 PolarHBondContact O-N 2.99Å; V188-F196 CarbonylContact C-O 3.59Å; V188-F196 WeakPolarHBondContact CA-O 3.43Å; V188-V197 HydrophobicContact CG1-CG1 4.46Å; V188-V197 HydrophobicContact CG1-CG2 4.02Å; V188-I304 HydrophobicContact CG1-CD1 4.36Å; V188-I304 HydrophobicContact CG2-CD1 4.07Å; V188-I304 HydrophobicContact CG2-CG1 4.09Å; V188-I304 HydrophobicContact CG2-CG2 4.44Å; V188-H399 HydrophobicContact CG1-CB 4.08Å
189I91.5Very high86.8Confident0 Ų016.7 Ų16.70%010%0.1CC..EExtended strand (participates in β ladder)trans-127126.4173.4-37.6173.7000108.6F126 L128 V169 F179 I191 T195 F196 I198F126-I189 HydrophobicContact CD2-CD1 4.03Å; F126-I189 HydrophobicContact CE2-CD1 4.42Å; F126-I189 HydrophobicContact CG-CD1 4.22Å; L128-I189 HydrophobicContact CD1-CD1 4.36Å; L128-I189 HydrophobicContact CD2-CD1 4.23Å; L128-I189 HydrophobicContact CD2-CG2 4.38Å; V169-I189 HydrophobicContact CG2-CG2 3.57Å; F179-I189 HydrophobicContact CE2-CG1 3.87Å; F179-I189 HydrophobicContact CZ-CD1 4.18Å; F179-I189 HydrophobicContact CZ-CG1 3.63Å; I189-I191 HydrophobicContact CG2-CD1 3.82Å; I189-I191 HydrophobicContact CG2-CG1 3.87Å; I189-T195 WeakPolarHBondContact O-CA 3.21Å; I189-F196 HydrophobicContact CB-CB 4.46Å; I189-F196 PolarHBondContact N-O 2.83Å; I189-F196 PolarHBondContact O-N 3.25Å; I189-I198 HydrophobicContact CD1-CD1 4.2Å
190H88.1Confident86.6Confident1 Ų117.4 Ų17.41%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-105.9115173.2-59.5-66.9000109.3A175 S176 T195 Y308 Y447A175-H190 VanDerWaalsContact CA-O 3.28Å; A175-H190 WeakPolarHBondContact CA-O 3.03Å; A175-H190 WeakPolarHBondContact CB-O 3.26Å; S176-H190 PolarHBondContact N-O 3.23Å; S176-H190 VanDerWaalsContact N-O 3.16Å; S176-H190 PolarHBondContact O-N 3.08Å; H190-T195 WeakPolarHBondContact ND1-CG2 3.16Å; H190-T195 PolarHBondContact ND1-OG1 3.47Å; H190-Y308 PolarHBondContact CE1-OH 3.33Å; H190-Y308 AromaticContact NE2-CE1 3.62Å; H190-Y308 AromaticContact NE2-CZ 3.76Å; H190-Y308 PolarHBondContact NE2-OH 3.25Å; H190-Y447 HydrophobicContact CB-CD1 4.36Å; H190-Y447 HydrophobicContact CB-CE1 4.15Å
191I84.1Confident86.4Confident14 Ų1417 Ų177%0.07210%0.103CC..EExtended strand (participates in β ladder)trans-130.5114-179-64.7165000109.3F126 V169 Y172 A175 I189 N193 E194 F196F126-I191 HydrophobicContact CD1-CD1 3.57Å; F126-I191 HydrophobicContact CE1-CD1 3.25Å; F126-I191 HydrophobicContact CZ-CD1 4.16Å; V169-I191 HydrophobicContact CG1-CD1 4.47Å; V169-I191 HydrophobicContact CG2-CD1 4.34Å; V169-I191 HydrophobicContact CG2-CG1 4.24Å; Y172-I191 HydrophobicContact CD1-CG2 3.64Å; Y172-I191 HydrophobicContact CE1-CG2 4.18Å; Y172-I191 HydrophobicContact CG-CG2 4.03Å; A175-I191 HydrophobicContact CB-CB 4.35Å; A175-I191 HydrophobicContact CB-CG1 3.7Å; I189-I191 HydrophobicContact CG2-CD1 3.82Å; I189-I191 HydrophobicContact CG2-CG1 3.87Å; I191-N193 PolarHBondContact O-N 3.16Å; I191-E194 PolarHBondContact N-O 3.26Å; I191-E194 PolarHBondContact O-N 2.89Å; I191-F196 HydrophobicContact CD1-CD2 4.45Å
192G76.1Confident86Confident51 Ų5118.6 Ų18.653%0.52611%0.109SC..THydrogen-bonded Turntrans59.9-95.516900000113.1W429G192-W429 WeakPolarHBondContact O-CZ2 3.44Å; G192-W429 PolarHBondContact O-NE1 2.91Å
193N74.1Confident85.4Confident96 Ų9619.6 Ų19.651%0.51312%0.119SC..THydrogen-bonded Turntrans-118.111.1177.175.7-95000116I191 W429I191-N193 PolarHBondContact O-N 3.16Å; N193-W429 HydrophobicContact CB-CH2 3.71Å; N193-W429 HydrophobicContact CB-CZ2 3.84Å; N193-W429 HydrophobicContact CB-CZ3 4.1Å
194E80Confident84.7Confident53 Ų5317.6 Ų17.625%0.24812%0.117CC..EExtended strand (participates in β ladder)trans-131.9140.2-171.4-58.8178.2162.800109.9I191 F196I191-E194 PolarHBondContact N-O 3.26Å; I191-E194 PolarHBondContact O-N 2.89Å; E194-F196 HydrophobicContact CB-CE2 3.74Å; E194-F196 HydrophobicContact CB-CZ 3.89Å; E194-F196 WeakPolarHBondContact OE2-CZ 3.4Å
195T86.3Confident83.8Confident7 Ų722.3 Ų22.34%0.04314%0.142CC..EExtended strand (participates in β ladder)trans-118.4119.7174.1-680000108.9I189 H190 A216I189-T195 WeakPolarHBondContact O-CA 3.21Å; H190-T195 WeakPolarHBondContact ND1-CG2 3.16Å; H190-T195 PolarHBondContact ND1-OG1 3.47Å; T195-A216 HydrophobicContact CG2-CB 4.35Å; T195-A216 PolarHBondContact O-N 2.78Å
196F89.3Confident82.7Confident3 Ų325.4 Ų25.41%0.01316%0.158CC..EExtended strand (participates in β ladder)trans-103.7132.3178.8-61.2-78.8000109.9F122 F126 V188 I189 I191 E194 I213 F214 E215F122-F196 AromaticContact CD2-CD1 3.88Å; F122-F196 HydrophobicContact CD2-CD1 3.88Å; F122-F196 AromaticContact CD2-CE1 3.61Å; F122-F196 HydrophobicContact CD2-CE1 3.61Å; F122-F196 HydrophobicContact CE2-CD1 4.01Å; F122-F196 HydrophobicContact CE2-CE1 4.09Å; F122-F196 HydrophobicContact CG-CE1 4.31Å; F126-F196 HydrophobicContact CE1-CE2 4.44Å; F126-F196 AromaticContact CZ-CD2 3.9Å; F126-F196 HydrophobicContact CZ-CD2 3.9Å; F126-F196 AromaticContact CZ-CE2 3.9Å; F126-F196 HydrophobicContact CZ-CE2 3.9Å; F126-F196 HydrophobicContact CZ-CG 4.34Å; F126-F196 HydrophobicContact CZ-CZ 4.33Å; V188-F196 CarbonylContact C-O 3.59Å; V188-F196 WeakPolarHBondContact CA-O 3.43Å; I189-F196 HydrophobicContact CB-CB 4.46Å; I189-F196 PolarHBondContact N-O 2.83Å; I189-F196 PolarHBondContact O-N 3.25Å; I191-F196 HydrophobicContact CD1-CD2 4.45Å; E194-F196 HydrophobicContact CB-CE2 3.74Å; E194-F196 HydrophobicContact CB-CZ 3.89Å; E194-F196 WeakPolarHBondContact OE2-CZ 3.4Å; F196-I213 HydrophobicContact CB-CD1 4.23Å; F196-I213 HydrophobicContact CB-CG1 4.33Å; F196-F214 WeakPolarHBondContact CA-O 3.41Å; F196-E215 HydrophobicContact CD1-CB 4.26Å; F196-E215 HydrophobicContact CD1-CG 4.47Å; F196-E215 HydrophobicContact CE1-CB 4.12Å; F196-E215 HydrophobicContact CE1-CG 4.14Å
197V91Very high81.4Confident2 Ų227.7 Ų27.71%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-109.1135.4174.5-177.80000108.3V188 I213 F214 A216V188-V197 HydrophobicContact CG1-CG1 4.46Å; V188-V197 HydrophobicContact CG1-CG2 4.02Å; V197-I213 WeakPolarHBondContact O-CA 3.23Å; V197-F214 HydrophobicContact CB-CD1 4.28Å; V197-F214 HydrophobicContact CB-CD2 4.44Å; V197-F214 HydrophobicContact CB-CE1 3.76Å; V197-F214 HydrophobicContact CB-CE2 3.94Å; V197-F214 HydrophobicContact CB-CZ 3.58Å; V197-F214 HydrophobicContact CG1-CE1 3.75Å; V197-F214 HydrophobicContact CG1-CE2 4.47Å; V197-F214 HydrophobicContact CG1-CZ 3.66Å; V197-F214 HydrophobicContact CG2-CE2 4.19Å; V197-F214 HydrophobicContact CG2-CZ 4.16Å; V197-F214 PolarHBondContact N-O 2.93Å; V197-F214 PolarHBondContact O-N 2.72Å; V197-A216 HydrophobicContact CG2-CB 3.89Å
198I91.8Very high80.2Confident1 Ų134.4 Ų34.41%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-117.4130.5174.7-53-175.7000108.4I68 I119 F179 S186 G187 I189 H211 V212 I213I68-I198 HydrophobicContact CD1-CD1 4.31Å; I68-I198 HydrophobicContact CD1-CG2 4.34Å; I119-I198 HydrophobicContact CD1-CD1 3.59Å; F179-I198 HydrophobicContact CE1-CB 4.09Å; F179-I198 HydrophobicContact CE1-CD1 3.89Å; F179-I198 HydrophobicContact CE1-CG1 4.2Å; F179-I198 HydrophobicContact CZ-CD1 3.86Å; F179-I198 HydrophobicContact CZ-CG1 4.38Å; S186-I198 WeakPolarHBondContact CA-O 3.36Å; G187-I198 PolarHBondContact N-O 2.8Å; G187-I198 PolarHBondContact O-N 3.31Å; I189-I198 HydrophobicContact CD1-CD1 4.2Å; I198-H211 HydrophobicContact CG2-CB 3.88Å; I198-V212 WeakPolarHBondContact CA-O 3.5Å; I198-I213 HydrophobicContact CD1-CD1 3.9Å; I198-I213 HydrophobicContact CD1-CG1 4.4Å; I198-I213 HydrophobicContact CG1-CB 4.13Å; I198-I213 HydrophobicContact CG1-CD1 3.82Å; I198-I213 HydrophobicContact CG1-CG1 3.79Å
199H89.9Confident79.4Confident18 Ų1835.1 Ų35.18%0.08321%0.206CC..EExtended strand (participates in β ladder)trans-132.9130.6178-162.9-62.4000110L56 Y202 H211 V212 Y396L56-H199 HydrophobicContact CD1-CB 4.39Å; L56-H199 HydrophobicContact CD2-CB 4.37Å; H199-Y202 AromaticContact CE1-CE2 3.61Å; H199-Y202 AromaticContact CE1-CZ 3.92Å; H199-H211 CarbonylContact O-C 3.57Å; H199-H211 WeakPolarHBondContact O-CA 3.35Å; H199-V212 PolarHBondContact N-O 3.3Å; H199-V212 PolarHBondContact O-N 2.76Å; H199-Y396 AromaticContact NE2-CD1 3.76Å
200P88.7Confident79.2Confident16 Ų1635.1 Ų35.110%0.10421%0.206CC..EExtended strand (participates in β ladder)trans-65.5150.817327.2-34000110.9H209 H211P200-H209 VanDerWaalsContact CA-NE2 3.29Å; P200-H209 WeakPolarHBondContact CA-NE2 3.05Å; P200-H209 WeakPolarHBondContact CB-NE2 3.39Å; P200-H211 WeakPolarHBondContact CA-CD2 3.23Å
201F85.8Confident79.2Confident4 Ų435 Ų352%0.01821%0.206CC..PPolyproline II helixtrans-64.5152.7161.4-80.6-110.3000109.9L46 L47 N53 I67 H209 P210 V212L46-F201 HydrophobicContact CB-CD1 4.27Å; L46-F201 HydrophobicContact CD1-CB 4.41Å; L47-F201 HydrophobicContact CD2-CE1 3.95Å; L47-F201 HydrophobicContact CG-CE1 3.99Å; N53-F201 HydrophobicContact CB-CD1 3.92Å; N53-F201 HydrophobicContact CB-CE1 4.25Å; N53-F201 VanDerWaalsContact CG-CD1 3.46Å; N53-F201 WeakPolarHBondContact OD1-CA 3.17Å; I67-F201 HydrophobicContact CD1-CE2 4.37Å; I67-F201 HydrophobicContact CD1-CZ 3.86Å; I67-F201 HydrophobicContact CG1-CE2 4.31Å; I67-F201 HydrophobicContact CG1-CZ 4.22Å; I67-F201 HydrophobicContact CG2-CE2 4.15Å; F201-H209 WeakPolarHBondContact CA-NE2 3.37Å; F201-H209 PolarHBondContact N-NE2 2.94Å; F201-H209 PolarHBondContact O-CE1 3.45Å; F201-H209 PolarHBondContact O-NE2 2.72Å; F201-P210 HydrophobicContact CB-CG 4.18Å; F201-P210 HydrophobicContact CD2-CB 4.02Å; F201-P210 HydrophobicContact CD2-CG 4.06Å; F201-P210 WeakPolarHBondContact CD2-O 3.46Å; F201-P210 HydrophobicContact CE2-CB 4.39Å; F201-P210 HydrophobicContact CG-CG 4.14Å; F201-P210 PolarHBondContact N-O 3.07Å; F201-V212 HydrophobicContact CD2-CG2 4.09Å; F201-V212 HydrophobicContact CE2-CG2 3.33Å; F201-V212 HydrophobicContact CZ-CG2 3.7Å
202Y80.1Confident79.4Confident36 Ų3634.4 Ų34.414%0.14120%0.202CC..SBendtrans-78.7125.9167.3-67.4-100.5000108.4Y50 Q52 N53 H199Y50-Y202 WeakPolarHBondContact CD2-O 3.02Å; Y50-Y202 VanDerWaalsContact CG-O 3.27Å; Q52-Y202 HydrophobicContact CB-CD1 4.05Å; Q52-Y202 HydrophobicContact CB-CD2 3.39Å; Q52-Y202 HydrophobicContact CB-CE1 4.27Å; Q52-Y202 HydrophobicContact CB-CE2 3.68Å; Q52-Y202 HydrophobicContact CB-CG 3.61Å; Q52-Y202 HydrophobicContact CG-CD1 4.12Å; Q52-Y202 HydrophobicContact CG-CD2 4.33Å; Q52-Y202 HydrophobicContact CG-CE1 4.23Å; Q52-Y202 HydrophobicContact CG-CE2 4.45Å; Q52-Y202 HydrophobicContact CG-CG 4.17Å; N53-Y202 PolarHBondContact ND2-O 3.2Å; N53-Y202 WeakPolarHBondContact OD1-CD2 3.22Å; N53-Y202 PolarHBondContact OD1-N 2.81Å; H199-Y202 AromaticContact CE1-CE2 3.61Å; H199-Y202 AromaticContact CE1-CZ 3.92Å
203G71.8Confident80.1Confident21 Ų2132 Ų3222%0.21618%0.177CC..SBendtrans77.4151.3-175.600000114.3L46 H209L46-G203 WeakPolarHBondContact CD1-O 3.4Å; L46-G203 VanDerWaalsContact CD2-C 3.46Å; L46-G203 VanDerWaalsContact CD2-O 3.26Å; L46-G203 WeakPolarHBondContact CD2-O 3.02Å; G203-H209 PolarHBondContact N-CE1 3.03Å; G203-H209 VanDerWaalsContact N-CE1 3.32Å; G203-H209 PolarHBondContact O-CE1 3.12Å
204G65.3Low80.8Confident35 Ų3527.5 Ų27.536%0.36115%0.153SC..SBendtrans139.2172.1-173.500000111.5
205D64.3Low81.2Confident100 Ų10026.1 Ų26.154%0.53515%0.147SC..  trans-89.4130.6166.3178.815.2000110S207 K208 H209D205-S207 VanDerWaalsContact CG-OG 3.26Å; D205-S207 PolarHBondContact O-N 3.36Å; D205-S207 PolarHBondContact OD1-N 3.01Å; D205-S207 WeakPolarHBondContact OD2-CB 3.46Å; D205-S207 PolarHBondContact OD2-OG 2.97Å; D205-K208 PolarHBondContact O-N 2.97Å; D205-H209 WeakPolarHBondContact O-CA 3.31Å; D205-H209 WeakPolarHBondContact O-CB 3.41Å; D205-H209 PolarHBondContact O-N 2.92Å
206L65.2Low80.9Confident64 Ų6426.1 Ų26.134%0.33515%0.147SC..THydrogen-bonded Turntrans-61.6-8.7178.3-65.9174.3000113.7I81I81-L206 WeakPolarHBondContact CG1-O 3.35Å
207S61.8Low80.1Confident59 Ų5931.6 Ų31.641%0.41317%0.168SC..THydrogen-bonded Turntrans-75.2-42.317475.20000113.9G80 D205G80-S207 WeakPolarHBondContact CA-O 3.39Å; D205-S207 VanDerWaalsContact CG-OG 3.26Å; D205-S207 PolarHBondContact O-N 3.36Å; D205-S207 PolarHBondContact OD1-N 3.01Å; D205-S207 WeakPolarHBondContact OD2-CB 3.46Å; D205-S207 PolarHBondContact OD2-OG 2.97Å
208K66.7Low79Confident141 Ų14132.9 Ų32.961%0.61318%0.176SC*.SBendtrans-134.331.6-175.1-71.7-163.6172.2-164.70112.9Y69 D205Y69-K208 WeakPolarHBondContact CD1-O 3.21Å; Y69-K208 WeakPolarHBondContact CE1-O 3.36Å; D205-K208 PolarHBondContact O-N 2.97Å
209H76.3Confident77.6Confident15 Ų1541.3 Ų41.37%0.06921%0.212CC..  trans-58.9133.6-176.3-16486.3000113.3I81 P200 F201 G203 D205 H211I81-H209 HydrophobicContact CD1-CB 3.79Å; P200-H209 VanDerWaalsContact CA-NE2 3.29Å; P200-H209 WeakPolarHBondContact CA-NE2 3.05Å; P200-H209 WeakPolarHBondContact CB-NE2 3.39Å; F201-H209 WeakPolarHBondContact CA-NE2 3.37Å; F201-H209 PolarHBondContact N-NE2 2.94Å; F201-H209 PolarHBondContact O-CE1 3.45Å; F201-H209 PolarHBondContact O-NE2 2.72Å; G203-H209 PolarHBondContact N-CE1 3.03Å; G203-H209 VanDerWaalsContact N-CE1 3.32Å; G203-H209 PolarHBondContact O-CE1 3.12Å; D205-H209 WeakPolarHBondContact O-CA 3.31Å; D205-H209 WeakPolarHBondContact O-CB 3.41Å; D205-H209 PolarHBondContact O-N 2.92Å; H209-H211 AromaticContact CD2-CE1 3.76Å; H209-H211 AromaticContact CD2-NE2 3.76Å; H209-H211 PolarHBondContact O-CE1 3.4Å; H209-H211 PolarHBondContact O-ND1 3.39Å
210P86.2Confident76.2Confident0 Ų041.2 Ų41.20%022%0.215CC..  trans-82.1150.617529.9-31000113.2L46 I67 Y69 F201L46-P210 HydrophobicContact CD1-CG 3.67Å; I67-P210 HydrophobicContact CG2-CB 4.19Å; Y69-P210 HydrophobicContact CD1-CB 4.29Å; Y69-P210 HydrophobicContact CE1-CB 3.65Å; Y69-P210 HydrophobicContact CE1-CG 4.4Å; F201-P210 HydrophobicContact CB-CG 4.18Å; F201-P210 HydrophobicContact CD2-CB 4.02Å; F201-P210 HydrophobicContact CD2-CG 4.06Å; F201-P210 WeakPolarHBondContact CD2-O 3.46Å; F201-P210 HydrophobicContact CE2-CB 4.39Å; F201-P210 HydrophobicContact CG-CG 4.14Å; F201-P210 PolarHBondContact N-O 3.07Å
211H87.8Confident74.9Confident0 Ų048 Ų480%025%0.25CS..EExtended strand (participates in β ladder)trans-129.6150.3175.5-52.971.2000110.7I67 I68 P70 V185 I198 H199 P200 H209I67-H211 WeakPolarHBondContact CA-O 3.36Å; I68-H211 HydrophobicContact CG1-CB 4.04Å; I68-H211 PolarHBondContact N-O 2.9Å; I68-H211 PolarHBondContact O-N 2.83Å; P70-H211 WeakPolarHBondContact CD-ND1 2.98Å; P70-H211 WeakPolarHBondContact CG-ND1 3.02Å; V185-H211 PolarHBondContact N-NE2 3.5Å; V185-H211 PolarHBondContact O-CD2 3.12Å; I198-H211 HydrophobicContact CG2-CB 3.88Å; H199-H211 CarbonylContact O-C 3.57Å; H199-H211 WeakPolarHBondContact O-CA 3.35Å; P200-H211 WeakPolarHBondContact CA-CD2 3.23Å; H209-H211 AromaticContact CD2-CE1 3.76Å; H209-H211 AromaticContact CD2-NE2 3.76Å; H209-H211 PolarHBondContact O-CE1 3.4Å; H209-H211 PolarHBondContact O-ND1 3.39Å
212V89.7Confident74.3Confident0 Ų049.6 Ų49.60%026%0.257CS..EExtended strand (participates in β ladder)trans-90.6132.9163.4-170.50000108.3L56 I60 Y65 I198 H199 F201 F214L56-V212 HydrophobicContact CD2-CG2 3.98Å; I60-V212 HydrophobicContact CD1-CB 4.44Å; I60-V212 HydrophobicContact CD1-CG1 3.76Å; Y65-V212 HydrophobicContact CD2-CG1 3.96Å; Y65-V212 HydrophobicContact CG-CG1 4.25Å; I198-V212 WeakPolarHBondContact CA-O 3.5Å; H199-V212 PolarHBondContact N-O 3.3Å; H199-V212 PolarHBondContact O-N 2.76Å; F201-V212 HydrophobicContact CD2-CG2 4.09Å; F201-V212 HydrophobicContact CE2-CG2 3.33Å; F201-V212 HydrophobicContact CZ-CG2 3.7Å; V212-F214 HydrophobicContact CG1-CD1 4.35Å
213I90.6Very high74.3Confident0 Ų049.2 Ų49.20%026%0.264CS..EExtended strand (participates in β ladder)trans-114.1133.3161.9-173.2170.5000109.4Y65 Q66 I68 I119 A121 F122 F126 F196 V197 I198Y65-I213 CarbonylContact C-O 3.48Å; Y65-I213 VanDerWaalsContact CA-O 3.3Å; Y65-I213 WeakPolarHBondContact CA-O 3.45Å; Q66-I213 HydrophobicContact CB-CG2 4.1Å; Q66-I213 PolarHBondContact N-O 3.13Å; Q66-I213 PolarHBondContact O-N 2.78Å; I68-I213 HydrophobicContact CB-CG2 4.5Å; I68-I213 HydrophobicContact CD1-CB 3.82Å; I68-I213 HydrophobicContact CD1-CD1 4.44Å; I68-I213 HydrophobicContact CD1-CG2 3.82Å; I68-I213 HydrophobicContact CG1-CB 4.29Å; I68-I213 HydrophobicContact CG1-CG2 4Å; I68-I213 HydrophobicContact CG2-CG2 3.71Å; I119-I213 HydrophobicContact CG2-CD1 4.37Å; A121-I213 HydrophobicContact CB-CD1 3.96Å; A121-I213 HydrophobicContact CB-CG2 3.75Å; F122-I213 HydrophobicContact CE2-CG1 4.14Å; F122-I213 HydrophobicContact CE2-CG2 4.05Å; F126-I213 HydrophobicContact CD2-CD1 4.36Å; F126-I213 HydrophobicContact CE2-CD1 3.89Å; F196-I213 HydrophobicContact CB-CD1 4.23Å; F196-I213 HydrophobicContact CB-CG1 4.33Å; V197-I213 WeakPolarHBondContact O-CA 3.23Å; I198-I213 HydrophobicContact CD1-CD1 3.9Å; I198-I213 HydrophobicContact CD1-CG1 4.4Å; I198-I213 HydrophobicContact CG1-CB 4.13Å; I198-I213 HydrophobicContact CG1-CD1 3.82Å; I198-I213 HydrophobicContact CG1-CG1 3.79Å
214F89.3Confident75.1Confident3 Ų348.5 Ų48.51%0.01326%0.256CS..EExtended strand (participates in β ladder)trans-141.2155.7178.364.8-85.4000111.6I60 F196 V197 V212 E397I60-F214 HydrophobicContact CD1-CD1 3.53Å; I60-F214 HydrophobicContact CD1-CE1 3.73Å; I60-F214 HydrophobicContact CD1-CG 4.13Å; I60-F214 HydrophobicContact CD1-CZ 4.47Å; I60-F214 HydrophobicContact CG1-CD1 3.91Å; I60-F214 HydrophobicContact CG1-CD2 4.4Å; I60-F214 HydrophobicContact CG1-CE1 3.92Å; I60-F214 HydrophobicContact CG1-CE2 4.41Å; I60-F214 HydrophobicContact CG1-CG 4.15Å; I60-F214 HydrophobicContact CG1-CZ 4.17Å; I60-F214 HydrophobicContact CG2-CB 3.94Å; I60-F214 HydrophobicContact CG2-CD2 4.35Å; I60-F214 HydrophobicContact CG2-CG 4.05Å; F196-F214 WeakPolarHBondContact CA-O 3.41Å; V197-F214 HydrophobicContact CB-CD1 4.28Å; V197-F214 HydrophobicContact CB-CD2 4.44Å; V197-F214 HydrophobicContact CB-CE1 3.76Å; V197-F214 HydrophobicContact CB-CE2 3.94Å; V197-F214 HydrophobicContact CB-CZ 3.58Å; V197-F214 HydrophobicContact CG1-CE1 3.75Å; V197-F214 HydrophobicContact CG1-CE2 4.47Å; V197-F214 HydrophobicContact CG1-CZ 3.66Å; V197-F214 HydrophobicContact CG2-CE2 4.19Å; V197-F214 HydrophobicContact CG2-CZ 4.16Å; V197-F214 PolarHBondContact N-O 2.93Å; V197-F214 PolarHBondContact O-N 2.72Å; V212-F214 HydrophobicContact CG1-CD1 4.35Å; F214-E397 HydrophobicContact CE2-CG 4Å; F214-E397 HydrophobicContact CZ-CG 4.06Å
215E86.9Confident76.1Confident24 Ų2447.7 Ų47.711%0.11225%0.246CC..EExtended strand (participates in β ladder)trans-86.6116173.5-166.1-163.5165.800109.9H63 F196 R217H63-E215 PolarHBondContact ND1-O 3.32Å; F196-E215 HydrophobicContact CD1-CB 4.26Å; F196-E215 HydrophobicContact CD1-CG 4.47Å; F196-E215 HydrophobicContact CE1-CB 4.12Å; F196-E215 HydrophobicContact CE1-CG 4.14Å; E215-R217 VanDerWaalsContact CD-CZ 3.41Å; E215-R217 HydrophobicContact CG-CG 4.47Å; E215-R217 PolarHBondContact O-N 3.04Å; E215-R217 IonicContact OE1-CZ 2.82Å; E215-R217 IonicContact OE1-NE 3.76Å; E215-R217 PolarHBondContact OE1-NE 3.04Å; E215-R217 IonicContact OE1-NH2 3.34Å; E215-R217 PolarHBondContact OE1-NH2 3Å; E215-R217 IonicContact OE2-CZ 3.22Å; E215-R217 IonicContact OE2-NE 3.1Å; E215-R217 PolarHBondContact OE2-NE 2.78Å; E215-R217 IonicContact OE2-NH1 2.69Å; E215-R217 IonicContact OE2-NH2 2.73Å; E215-R217 PolarHBondContact OE2-NH2 2.78Å
216A81Confident76.9Confident6 Ų643.9 Ų43.95%0.0523%0.225CC..  trans-72.3123.717800000110.6T195 V197 E397 H399T195-A216 HydrophobicContact CG2-CB 4.35Å; T195-A216 PolarHBondContact O-N 2.78Å; V197-A216 HydrophobicContact CG2-CB 3.89Å; A216-E397 VanDerWaalsContact CB-OE1 3.26Å; A216-E397 WeakPolarHBondContact CB-OE1 3.42Å; A216-H399 VanDerWaalsContact CB-CE1 3.47Å; A216-H399 WeakPolarHBondContact CB-CE1 3.27Å
217R72.7Confident77Confident118 Ų11844.3 Ų44.345%0.44523%0.234SC..  trans-143.635.4174.1-60.2-174.3178.71635.4111.7E215 K219 N443E215-R217 VanDerWaalsContact CD-CZ 3.41Å; E215-R217 HydrophobicContact CG-CG 4.47Å; E215-R217 PolarHBondContact O-N 3.04Å; E215-R217 IonicContact OE1-CZ 2.82Å; E215-R217 IonicContact OE1-NE 3.76Å; E215-R217 PolarHBondContact OE1-NE 3.04Å; E215-R217 IonicContact OE1-NH2 3.34Å; E215-R217 PolarHBondContact OE1-NH2 3Å; E215-R217 IonicContact OE2-CZ 3.22Å; E215-R217 IonicContact OE2-NE 3.1Å; E215-R217 PolarHBondContact OE2-NE 2.78Å; E215-R217 IonicContact OE2-NH1 2.69Å; E215-R217 IonicContact OE2-NH2 2.73Å; E215-R217 PolarHBondContact OE2-NH2 2.78Å; R217-K219 PolarHBondContact O-N 2.85Å; R217-N443 HydrophobicContact CB-CB 4.39Å
218T68.1Low76.4Confident29 Ų2945.9 Ų45.918%0.17826%0.26CS..  trans-65.7130.2-172-80.70000112.4A220 E397 L400T218-A220 PolarHBondContact O-N 3.34Å; T218-E397 WeakPolarHBondContact CB-OE2 2.97Å; T218-E397 VanDerWaalsContact OG1-CD 3.25Å; T218-E397 PolarHBondContact OG1-OE1 3.34Å; T218-E397 PolarHBondContact OG1-OE2 3.2Å; T218-L400 HydrophobicContact CG2-CD1 3.91Å
219K61.8Low74.9Confident178 Ų17845.8 Ų45.877%0.77427%0.266SS*.  trans-92.598.2178.9-75.8176.2176.7178.30110.7R217 N443R217-K219 PolarHBondContact O-N 2.85Å; K219-N443 WeakPolarHBondContact CE-OD1 3.27Å; K219-N443 WeakPolarHBondContact CG-OD1 3.03Å
220A61Low73.2Confident17 Ų1749.1 Ų49.114%0.1428%0.284CS..  trans-129.2101.4168.600000109.4T218 K222 V393 V439T218-A220 PolarHBondContact O-N 3.34Å; A220-K222 HydrophobicContact CB-CD 4.41Å; A220-K222 HydrophobicContact CB-CG 4.24Å; A220-K222 PolarHBondContact O-N 2.96Å; A220-V393 HydrophobicContact CB-CG1 3.73Å; A220-V439 HydrophobicContact CB-CG1 4.4Å; A220-V439 HydrophobicContact CB-CG2 4.32Å; A220-V439 VanDerWaalsContact O-CB 3.31Å; A220-V439 WeakPolarHBondContact O-CB 3.08Å
221N60.4Low70.8Confident157 Ų15752.4 Ų52.484%0.8430%0.301SS*.  trans-78.979.8169.4-173.611.1000108.5
222K72.7Confident68.4Low38 Ų3857 Ų5717%0.16533%0.333CS..  trans-124119.6-177.5-70.2-171.8149.8-122.80110.3A220 G371 E372 A373 V393A220-K222 HydrophobicContact CB-CD 4.41Å; A220-K222 HydrophobicContact CB-CG 4.24Å; A220-K222 PolarHBondContact O-N 2.96Å; K222-G371 WeakPolarHBondContact CD-O 3.37Å; K222-G371 WeakPolarHBondContact CE-O 3.43Å; K222-G371 VanDerWaalsContact CG-O 3.25Å; K222-G371 WeakPolarHBondContact CG-O 3.03Å; K222-G371 PolarHBondContact NZ-O 3.37Å; K222-E372 PolarHBondContact NZ-O 3.26Å; K222-E372 VanDerWaalsContact NZ-O 3.16Å; K222-A373 HydrophobicContact CB-CB 3.84Å; K222-V393 HydrophobicContact CD-CG1 4.17Å; K222-V393 HydrophobicContact CD-CG2 3.82Å
223G80.5Confident65.9Low28 Ų2865.1 Ų65.129%0.28936%0.364SS..BIsolated β-bridgetrans-89.5165-179.600000114.4A373 Q436G223-A373 PolarHBondContact O-N 2.82Å; G223-Q436 CarbonylContact C-O 3.59Å; G223-Q436 WeakPolarHBondContact CA-O 3.01Å
224C87.9Confident63.2Low7 Ų771.3 Ų71.35%0.04739%0.387CS..BIsolated β-bridgetrans-71.2136.8159.7-170.80000110.4N226 H407 Q436 I438C224-N226 PolarHBondContact O-N 3.21Å; C224-H407 VanDerWaalsContact CB-NE2 3.26Å; C224-H407 WeakPolarHBondContact CB-NE2 3.31Å; C224-H407 PolarHBondContact SG-NE2 2.91Å; C224-Q436 PolarHBondContact N-O 2.87Å; C224-I438 HydrophobicContact CB-CD1 3.9Å; C224-I438 HydrophobicContact CB-CG1 4.13Å
225A87.1Confident60.6Low18 Ų1878.9 Ų78.915%0.14943%0.427CS..SBendtrans-76.2-9.817900000113.5S227 I337 E372 G374 M375A225-S227 VanDerWaalsContact C-N 3.28Å; A225-S227 PolarHBondContact O-N 2.84Å; A225-I337 HydrophobicContact CB-CG2 3.52Å; A225-E372 HydrophobicContact CB-CB 4.3Å; A225-E372 HydrophobicContact CB-CG 3.98Å; A225-G374 WeakPolarHBondContact CB-O 3.48Å; A225-G374 PolarHBondContact N-O 3.23Å; A225-M375 HydrophobicContact CB-CB 3.99Å; A225-M375 HydrophobicContact CB-CE 3.6Å; A225-M375 HydrophobicContact CB-CG 4.07Å; A225-M375 HydrophobicContact CB-SD 4.43Å
226N82.2Confident58Low19 Ų1982.7 Ų82.710%0.10246%0.457CS..  trans-67.879.8179.2-74.627.3000111.7C224 M375 A376 H411 H417C224-N226 PolarHBondContact O-N 3.21Å; N226-M375 WeakPolarHBondContact OD1-CG 3.35Å; N226-A376 PolarHBondContact ND2-O 2.8Å; N226-A376 PolarHBondContact OD1-N 3.49Å; N226-A376 VanDerWaalsContact OD1-N 3.08Å; N226-A376 PolarHBondContact OD1-O 2.02Å; N226-H411 PolarHBondContact ND2-CE1 2.79Å; N226-H411 PolarHBondContact ND2-ND1 3.15Å; N226-H417 PolarHBondContact O-CE1 2.88Å
227S66.6Low55.9Low74 Ų7489.4 Ų89.452%0.51748%0.48SS..  trans-70.5127.9174.1-65.90000110.5A225 N229A225-S227 VanDerWaalsContact C-N 3.28Å; A225-S227 PolarHBondContact O-N 2.84Å; S227-N229 PolarHBondContact O-N 2.65Å
228G48.8Very low54.1Low92 Ų9294.8 Ų94.895%0.94850%0.501SS*.SBendtrans-6616-174.900000117
229N36.4Very low52.8Low138 Ų13898.2 Ų98.274%0.73852%0.522SS*.  trans-125.637.7-179.3-164.67.8000111.7S227 D231S227-N229 PolarHBondContact O-N 2.65Å; N229-D231 PolarHBondContact O-N 3.32Å
230L40.2Very low51.6Low86 Ų8697 Ų9745%0.4552%0.517SS..  trans-80.441.7-175.4-155.175.3000113.5S232 W233L230-S232 PolarHBondContact O-N 3.15Å; L230-S232 VanDerWaalsContact O-N 3.1Å; L230-W233 HydrophobicContact CD2-CB 4.31Å; L230-W233 HydrophobicContact CD2-CG 4.25Å; L230-W233 HydrophobicContact CG-CB 4.46Å; L230-W233 HydrophobicContact CG-CG 4.48Å; L230-W233 PolarHBondContact O-N 3.1Å
231D34.9Very low50.4Low69 Ų69104.6 Ų104.637%0.36955%0.549SS..G310 helixtrans-60.4-22.5178.9-111.3-70.9000112.6N229 W233 R234 R237N229-D231 PolarHBondContact O-N 3.32Å; D231-W233 VanDerWaalsContact C-N 3.29Å; D231-W233 PolarHBondContact O-N 3.4Å; D231-R234 WeakPolarHBondContact O-CB 3.02Å; D231-R234 PolarHBondContact O-N 2.98Å; D231-R234 VanDerWaalsContact O-N 3.1Å; D231-R234 WeakPolarHBondContact OD1-CD 3.49Å; D231-R234 IonicContact OD1-CZ 3.88Å; D231-R234 IonicContact OD1-NE 2.74Å; D231-R234 IonicContact OD1-NH1 3.92Å; D231-R234 PolarHBondContact OD1-NH1 3.08Å; D231-R234 IonicContact OD2-CZ 3.2Å; D231-R234 IonicContact OD2-NH1 3.8Å; D231-R234 PolarHBondContact OD2-NH1 2.99Å; D231-R237 IonicContact OD1-CZ 2.65Å; D231-R237 IonicContact OD1-NH1 2.94Å; D231-R237 PolarHBondContact OD1-NH1 2.04Å; D231-R237 IonicContact OD1-NH2 3.86Å; D231-R237 PolarHBondContact OD1-NH2 3.27Å
232S37Very low49.4Very low96 Ų96103.3 Ų103.367%0.67154%0.541SS*.G310 helixtrans-62-26.9178.8-171.70000114.7L230 R234L230-S232 PolarHBondContact O-N 3.15Å; L230-S232 VanDerWaalsContact O-N 3.1Å; S232-R234 VanDerWaalsContact C-N 3.35Å
233W37.5Very low47.8Very low171 Ų171105.5 Ų105.565%0.64856%0.562SS**G310 helixtrans-88.4-2.1177.4-80.691.5000113.1L230 D231 L235L230-W233 HydrophobicContact CD2-CB 4.31Å; L230-W233 HydrophobicContact CD2-CG 4.25Å; L230-W233 HydrophobicContact CG-CB 4.46Å; L230-W233 HydrophobicContact CG-CG 4.48Å; L230-W233 PolarHBondContact O-N 3.1Å; D231-W233 VanDerWaalsContact C-N 3.29Å; D231-W233 PolarHBondContact O-N 3.4Å; W233-L235 PolarHBondContact O-N 3.07Å
234R35.3Very low45.8Very low130 Ų130107.9 Ų107.949%0.49158%0.578SS.*  trans-79.924.7177.7-59.5-174.3179.1153.9-8.5113.8D231 S232 S236 R237D231-R234 WeakPolarHBondContact O-CB 3.02Å; D231-R234 PolarHBondContact O-N 2.98Å; D231-R234 VanDerWaalsContact O-N 3.1Å; D231-R234 WeakPolarHBondContact OD1-CD 3.49Å; D231-R234 IonicContact OD1-CZ 3.88Å; D231-R234 IonicContact OD1-NE 2.74Å; D231-R234 IonicContact OD1-NH1 3.92Å; D231-R234 PolarHBondContact OD1-NH1 3.08Å; D231-R234 IonicContact OD2-CZ 3.2Å; D231-R234 IonicContact OD2-NH1 3.8Å; D231-R234 PolarHBondContact OD2-NH1 2.99Å; S232-R234 VanDerWaalsContact C-N 3.35Å; R234-S236 PolarHBondContact O-N 3.04Å; R234-R237 HydrophobicContact CB-CG 4.41Å; R234-R237 VanDerWaalsContact CD-CZ 3.48Å; R234-R237 PolarHBondContact O-N 3.35Å
235L32.8Very low43.2Very low162 Ų162110 Ų11085%0.84860%0.602SS**THydrogen-bonded Turntrans-79.445.2-179.7-102.8160.8000113.5W233W233-L235 PolarHBondContact O-N 3.07Å
236S33.7Very low41.1Very low104 Ų104113.7 Ų113.773%0.72762%0.622SS**THydrogen-bonded Turntrans-152.734.1158.8-166.80000112R234 R238R234-S236 PolarHBondContact O-N 3.04Å; S236-R238 VanDerWaalsContact C-N 3.27Å; S236-R238 PolarHBondContact O-N 2.82Å
237R35.9Very low39.2Very low146 Ų146115.8 Ų115.855%0.55164%0.642SS**THydrogen-bonded Turntrans-70.577.4175.5-85.1-172-79.8-154-8.8111.9D231 R234D231-R237 IonicContact OD1-CZ 2.65Å; D231-R237 IonicContact OD1-NH1 2.94Å; D231-R237 PolarHBondContact OD1-NH1 2.04Å; D231-R237 IonicContact OD1-NH2 3.86Å; D231-R237 PolarHBondContact OD1-NH2 3.27Å; R234-R237 HydrophobicContact CB-CG 4.41Å; R234-R237 VanDerWaalsContact CD-CZ 3.48Å; R234-R237 PolarHBondContact O-N 3.35Å
238R35Very low37.8Very low231 Ų231114.4 Ų114.487%0.87264%0.639SS**THydrogen-bonded Turntrans-124.8-9.3161.5-135.1178.9-168.4-174.33.1114.3S236S236-R238 VanDerWaalsContact C-N 3.27Å; S236-R238 PolarHBondContact O-N 2.82Å
239T41.2Very low37.7Very low101 Ų101114 Ų11462%0.6262%0.618SS**SBendtrans-91.1-19.6178.739.50000115H241 L242T239-H241 PolarHBondContact O-N 3.46Å; T239-L242 PolarHBondContact O-N 3.17Å
240K36.8Very low38.2Very low153 Ų153111 Ų11167%0.66561%0.605SS**THydrogen-bonded Turntrans-67.87.6-176.6-73.6-146.4172.8-159.60115.9
241H35.9Very low38.4Very low176 Ų176113.6 Ų113.682%0.81562%0.615SS**THydrogen-bonded Turntrans-104.1-5.3169.4-79.8-75.5000114.7T239T239-H241 PolarHBondContact O-N 3.46Å
242L39.3Very low38.8Very low130 Ų130117.9 Ų117.968%0.68163%0.632SS**THydrogen-bonded Turntrans-91.7-38.5171.5-80.674.5000111.6T239 A244 G245T239-L242 PolarHBondContact O-N 3.17Å; L242-A244 PolarHBondContact O-N 3.4Å; L242-A244 VanDerWaalsContact O-N 3.14Å; L242-G245 PolarHBondContact O-N 3.23Å; L242-G245 VanDerWaalsContact O-N 3.12Å
243S38.2Very low39.3Very low85 Ų85119.2 Ų119.259%0.59463%0.631SS**Hα-helixtrans-60.5-25.9-176.1-44.90000114.6
244A38.1Very low39.9Very low78 Ų78115.9 Ų115.965%0.64563%0.625SS**Hα-helixtrans-81.9-21179.900000113.7L242L242-A244 PolarHBondContact O-N 3.4Å; L242-A244 VanDerWaalsContact O-N 3.14Å
245G34.7Very low40.5Very low52 Ų52117.3 Ų117.354%0.53664%0.637SS.*Hα-helixtrans-80.1-35178.600000113L242L242-G245 PolarHBondContact O-N 3.23Å; L242-G245 VanDerWaalsContact O-N 3.12Å
246V43.1Very low40.9Very low95 Ų95114.1 Ų114.158%0.57664%0.635SS**Hα-helixtrans-74-35.4-177.7-176.40000111.8G248 V249 V250V246-G248 VanDerWaalsContact C-N 3.33Å; V246-G248 PolarHBondContact O-N 3.11Å; V246-V249 PolarHBondContact O-N 3.32Å; V246-V249 VanDerWaalsContact O-N 3.12Å; V246-V250 HydrophobicContact CG1-CG2 4.23Å; V246-V250 WeakPolarHBondContact O-CG2 3.25Å; V246-V250 PolarHBondContact O-N 3.12Å; V246-V250 VanDerWaalsContact O-N 3.13Å
247A42.2Very low41Very low62 Ų62112.8 Ų112.851%0.51264%0.637SS.*Hα-helixtrans-56.4-42.7-178.800000113.2V249 V250 E251A247-V249 PolarHBondContact O-N 2.94Å; A247-V250 PolarHBondContact O-N 3.12Å; A247-E251 PolarHBondContact O-N 3.49Å
248G36.3Very low41Very low45 Ų45113.4 Ų113.446%0.46466%0.657SS.*Hα-helixtrans-68-32.4177.900000113.9V246 E252V246-G248 VanDerWaalsContact C-N 3.33Å; V246-G248 PolarHBondContact O-N 3.11Å; G248-E252 PolarHBondContact O-N 3.45Å
249V47.5Very low40.9Very low83 Ų83105.9 Ų105.950%0.50365%0.651SS.*Hα-helixtrans-72.5-36.2178.7178.90000111.2V246 A247 I253V246-V249 PolarHBondContact O-N 3.32Å; V246-V249 VanDerWaalsContact O-N 3.12Å; A247-V249 PolarHBondContact O-N 2.94Å; V249-I253 HydrophobicContact CG1-CD1 3.81Å; V249-I253 WeakPolarHBondContact O-CG1 3.39Å; V249-I253 PolarHBondContact O-N 3.22Å
250V47.5Very low40.9Very low77 Ų77107.5 Ų107.547%0.46765%0.645SS.*Hα-helixtrans-66.5-38.2176.2177.10000111.9V246 A247 E252 L254V246-V250 HydrophobicContact CG1-CG2 4.23Å; V246-V250 WeakPolarHBondContact O-CG2 3.25Å; V246-V250 PolarHBondContact O-N 3.12Å; V246-V250 VanDerWaalsContact O-N 3.13Å; A247-V250 PolarHBondContact O-N 3.12Å; V250-E252 VanDerWaalsContact C-N 3.32Å; V250-E252 PolarHBondContact O-N 3.35Å; V250-L254 HydrophobicContact CG1-CD1 3.79Å; V250-L254 HydrophobicContact CG1-CG 4.32Å; V250-L254 WeakPolarHBondContact O-CB 3.5Å; V250-L254 WeakPolarHBondContact O-CD1 3.47Å; V250-L254 WeakPolarHBondContact O-CG 3.49Å; V250-L254 PolarHBondContact O-N 3.45Å
251E44.6Very low41.1Very low140 Ų140108.1 Ų108.165%0.65466%0.656SS**Hα-helixtrans-72.9-22.1-178-165.8161.4-154.300113.7A247 Q255A247-E251 PolarHBondContact O-N 3.49Å; E251-Q255 PolarHBondContact O-NE2 3.24Å
252E41.6Very low41.4Very low158 Ų158107 Ų10774%0.73865%0.649SS**Hα-helixtrans-85.8-37.3175.3-160.5160.7-140.100112.2G248 V250 L254G248-E252 PolarHBondContact O-N 3.45Å; V250-E252 VanDerWaalsContact C-N 3.32Å; V250-E252 PolarHBondContact O-N 3.35Å; E252-L254 VanDerWaalsContact C-N 3.33Å; E252-L254 PolarHBondContact O-N 2.91Å
253I49.2Very low42.1Very low125 Ų125110.1 Ų110.164%0.64165%0.652SS**Hα-helixtrans-68.1-30.8175.5-67.2170.7000112V249 Q255V249-I253 HydrophobicContact CG1-CD1 3.81Å; V249-I253 WeakPolarHBondContact O-CG1 3.39Å; V249-I253 PolarHBondContact O-N 3.22Å; I253-Q255 PolarHBondContact O-N 2.81Å; I253-Q255 VanDerWaalsContact O-N 3.11Å
254L48.5Very low43.1Very low101 Ų101108.7 Ų108.753%0.52964%0.638SS.*THydrogen-bonded Turntrans-69.3-4.9-176.9-81.5171.3000115.6V250 E252V250-L254 HydrophobicContact CG1-CD1 3.79Å; V250-L254 HydrophobicContact CG1-CG 4.32Å; V250-L254 WeakPolarHBondContact O-CB 3.5Å; V250-L254 WeakPolarHBondContact O-CD1 3.47Å; V250-L254 WeakPolarHBondContact O-CG 3.49Å; V250-L254 PolarHBondContact O-N 3.45Å; E252-L254 VanDerWaalsContact C-N 3.33Å; E252-L254 PolarHBondContact O-N 2.91Å
255Q49.2Very low44.5Very low159 Ų159107.8 Ų107.874%0.74362%0.624SS**THydrogen-bonded Turntrans-94.9-2.1-173.5-61.9-178.246.500114.4E251 I253E251-Q255 PolarHBondContact O-NE2 3.24Å; I253-Q255 PolarHBondContact O-N 2.81Å; I253-Q255 VanDerWaalsContact O-N 3.11Å
256A39.7Very low46.1Very low96 Ų96110.9 Ų110.979%0.79362%0.619SS**SBendtrans-127.864.9-175.800000113.4
257G36.6Very low47.6Very low76 Ų76113.1 Ų113.178%0.78462%0.623SS**  trans-169.296.6176.700000114.6
258V35.4Very low49.3Very low159 Ų159112.2 Ų112.296%0.96462%0.616SS**  trans-96.9124.5178179.80000110.1
259G33.5Very low51.6Low72 Ų72112.8 Ų112.874%0.74261%0.61SS**  trans139.22.215700000120.2
260R41.9Very low53.7Low135 Ų135109 Ų10951%0.50959%0.587SS.*  trans-117133.4177.6-72.9-178.2173.9177.5-4.7113K262 E499R260-K262 PolarHBondContact O-N 3.34Å; R260-E499 WeakPolarHBondContact CD-OE2 3.13Å; R260-E499 IonicContact CZ-OE2 2.93Å; R260-E499 PolarHBondContact NH1-O 3.48Å; R260-E499 IonicContact NH1-OE2 2.88Å; R260-E499 PolarHBondContact NH1-OE2 3.05Å; R260-E499 PolarHBondContact NH2-O 2.88Å
261N40.1Very low55.8Low167 Ų167107.2 Ų107.289%0.89357%0.572SS**  trans-70.990170.6-77.8-2.3000109.5R263N261-R263 PolarHBondContact O-N 3.15Å; N261-R263 VanDerWaalsContact O-N 3.07Å
262K43.3Very low58.2Low153 Ų153100.5 Ų100.567%0.66554%0.541SS*.  trans-56.9113.1164.4-66.6-174.6177-174.90107.8R260 D264R260-K262 PolarHBondContact O-N 3.34Å; K262-D264 PolarHBondContact O-N 2.03Å
263R52.2Low60.6Low195 Ų19594 Ų9474%0.73651%0.511SS*.  trans-57.2123.4171-56.9-178.8-157.5159.87.7106.6N261 V265N261-R263 PolarHBondContact O-N 3.15Å; N261-R263 VanDerWaalsContact O-N 3.07Å; R263-V265 PolarHBondContact O-N 2.93Å; R263-V265 VanDerWaalsContact O-N 3.14Å
264D59.8Low62.8Low55 Ų5588 Ų8829%0.29448%0.48SS..  trans-67119.8175.2-170.6-15000107.7K262 R266 E267 A268K262-D264 PolarHBondContact O-N 2.03Å; D264-R266 PolarHBondContact O-N 3.28Å; D264-R266 WeakPolarHBondContact OD1-CB 3.24Å; D264-R266 VanDerWaalsContact OD1-CD 3.28Å; D264-R266 WeakPolarHBondContact OD1-CD 3.46Å; D264-R266 WeakPolarHBondContact OD1-CG 3.26Å; D264-R266 PolarHBondContact OD1-N 2.96Å; D264-R266 WeakPolarHBondContact OD2-CD 3.41Å; D264-R266 IonicContact OD2-CZ 3.15Å; D264-R266 IonicContact OD2-NE 3.09Å; D264-R266 IonicContact OD2-NH1 2.76Å; D264-R266 PolarHBondContact OD2-NH1 2.86Å; D264-E267 HydrophobicContact CB-CB 4.5Å; D264-E267 HydrophobicContact CB-CG 4.09Å; D264-E267 PolarHBondContact O-N 2.85Å; D264-A268 PolarHBondContact O-N 3.47Å
265V66.9Low65Low58 Ų5883.3 Ų83.335%0.35246%0.456SS..THydrogen-bonded Turntrans-54.8-23176.1-1770000110.5R263 K270 L461 L470R263-V265 PolarHBondContact O-N 2.93Å; R263-V265 VanDerWaalsContact O-N 3.14Å; V265-K270 WeakPolarHBondContact O-CE 3.37Å; V265-K270 PolarHBondContact O-NZ 3.13Å; V265-L461 HydrophobicContact CG1-CB 4.12Å; V265-L461 HydrophobicContact CG1-CD2 4.25Å; V265-L470 HydrophobicContact CG1-CD2 4.48Å
266R70Confident67.3Low117 Ų11775.8 Ų75.844%0.44242%0.42SS..THydrogen-bonded Turntrans-68.5-32.5174.3-60.3161.559.4-115.21.1113.3D264 K270 I458D264-R266 PolarHBondContact O-N 3.28Å; D264-R266 WeakPolarHBondContact OD1-CB 3.24Å; D264-R266 VanDerWaalsContact OD1-CD 3.28Å; D264-R266 WeakPolarHBondContact OD1-CD 3.46Å; D264-R266 WeakPolarHBondContact OD1-CG 3.26Å; D264-R266 PolarHBondContact OD1-N 2.96Å; D264-R266 WeakPolarHBondContact OD2-CD 3.41Å; D264-R266 IonicContact OD2-CZ 3.15Å; D264-R266 IonicContact OD2-NE 3.09Å; D264-R266 IonicContact OD2-NH1 2.76Å; D264-R266 PolarHBondContact OD2-NH1 2.86Å; R266-K270 PolarHBondContact O-NZ 3.45Å; R266-I458 HydrophobicContact CG-CD1 4.37Å; R266-I458 HydrophobicContact CG-CG1 4.13Å; R266-I458 HydrophobicContact CG-CG2 3.86Å
267E72.8Confident70Confident143 Ų14371.2 Ų71.267%0.66838%0.382SS*.THydrogen-bonded Turntrans-83.6-33.8-176.8-68.4175.4166.500113.1D264 N313D264-E267 HydrophobicContact CB-CB 4.5Å; D264-E267 HydrophobicContact CB-CG 4.09Å; D264-E267 PolarHBondContact O-N 2.85Å; E267-N313 PolarHBondContact O-ND2 3.22Å
268A78.8Confident72.8Confident42 Ų4267.6 Ų67.635%0.34735%0.345SS..SBendtrans-55.8143.3175.700000112D264 K270 N313 L470D264-A268 PolarHBondContact O-N 3.47Å; A268-K270 VanDerWaalsContact O-CE 3.28Å; A268-K270 WeakPolarHBondContact O-CE 3.41Å; A268-K270 PolarHBondContact O-NZ 2.94Å; A268-N313 PolarHBondContact O-ND2 2.97Å; A268-L470 HydrophobicContact CB-CD2 4.45Å
269T85.3Confident75.6Confident58 Ų5860 Ų6036%0.35630%0.299SS..PPolyproline II helixtrans-75.2132.2170.4-55.10000108.8N313 R315T269-N313 WeakPolarHBondContact CA-O 3.44Å; T269-N313 PolarHBondContact OG1-ND2 3.16Å; T269-N313 PolarHBondContact OG1-OD1 2.7Å; T269-R315 HydrophobicContact CG2-CG 3.94Å
270K90.4Very high78.4Confident3 Ų360 Ų601%0.01328%0.279CS..EExtended strand (participates in β ladder)trans-99.6156.3176.3-65.193.2-169.2160.90111.8V265 R266 A268 N313 T314 R315 Y457 L461 L469 L470V265-K270 WeakPolarHBondContact O-CE 3.37Å; V265-K270 PolarHBondContact O-NZ 3.13Å; R266-K270 PolarHBondContact O-NZ 3.45Å; A268-K270 VanDerWaalsContact O-CE 3.28Å; A268-K270 WeakPolarHBondContact O-CE 3.41Å; A268-K270 PolarHBondContact O-NZ 2.94Å; K270-N313 PolarHBondContact N-O 2.88Å; K270-T314 HydrophobicContact CB-CG2 3.95Å; K270-T314 CarbonylContact O-C 3.51Å; K270-T314 WeakPolarHBondContact O-CA 3.39Å; K270-R315 PolarHBondContact O-N 3.19Å; K270-Y457 HydrophobicContact CD-CE1 4.44Å; K270-Y457 WeakPolarHBondContact CG-OH 3.45Å; K270-L461 HydrophobicContact CD-CD1 4.41Å; K270-L469 CarbonylContact C-O 3.59Å; K270-L469 WeakPolarHBondContact CA-O 3.31Å; K270-L469 HydrophobicContact CB-CB 4.09Å; K270-L469 VanDerWaalsContact CB-O 3.3Å; K270-L469 WeakPolarHBondContact CB-O 3.26Å; K270-L469 HydrophobicContact CG-CB 4.21Å; K270-L470 HydrophobicContact CG-CD2 4.33Å
271Y91.8Very high80.8Confident39 Ų3953.9 Ų53.915%0.15326%0.257CS..EExtended strand (participates in β ladder)trans-124.2147.3171-54-92.8000108.9R315 L469 N471 K472 P473Y271-R315 CarbonylContact C-O 3.6Å; Y271-R315 WeakPolarHBondContact CA-O 3.36Å; Y271-R315 HydrophobicContact CD1-CB 3.81Å; Y271-R315 HydrophobicContact CD1-CG 4.1Å; Y271-R315 HydrophobicContact CE1-CB 4.29Å; Y271-R315 HydrophobicContact CE1-CG 4.08Å; Y271-L469 PolarHBondContact N-O 3.5Å; Y271-L469 WeakPolarHBondContact O-CA 3.48Å; Y271-L469 WeakPolarHBondContact O-CB 3.45Å; Y271-L469 VanDerWaalsContact O-CD2 3.27Å; Y271-L469 WeakPolarHBondContact O-CD2 3.27Å; Y271-N471 WeakPolarHBondContact CD2-O 3.27Å; Y271-K472 HydrophobicContact CD2-CB 4.26Å; Y271-K472 HydrophobicContact CE1-CG 4.11Å; Y271-K472 HydrophobicContact CE2-CB 3.92Å; Y271-K472 HydrophobicContact CE2-CG 4.13Å; Y271-P473 VanDerWaalsContact CD1-CD 3.46Å; Y271-P473 HydrophobicContact CD1-CG 4.13Å; Y271-P473 VanDerWaalsContact CG-CD 3.47Å; Y271-P473 HydrophobicContact CG-CG 4.26Å
272I94.5Very high83.2Confident0 Ų046 Ų460%022%0.215CC..EExtended strand (participates in β ladder)trans-122.799.4175-54.8178.3000107T274 F309 T314 R315 S317 D358 T359 I409 I413 L469I272-T274 PolarHBondContact O-N 3.21Å; I272-T274 PolarHBondContact O-OG1 2.77Å; I272-T274 VanDerWaalsContact O-OG1 3.08Å; I272-F309 HydrophobicContact CD1-CD1 4.3Å; I272-F309 HydrophobicContact CD1-CE1 4.29Å; I272-T314 HydrophobicContact CD1-CG2 3.62Å; I272-T314 HydrophobicContact CG1-CG2 3.73Å; I272-R315 PolarHBondContact N-O 3.29Å; I272-S317 PolarHBondContact O-N 2.96Å; I272-D358 WeakPolarHBondContact CA-OD2 3.13Å; I272-D358 HydrophobicContact CG2-CB 4.41Å; I272-T359 HydrophobicContact CG2-CG2 3.63Å; I272-I409 HydrophobicContact CD1-CG2 3.72Å; I272-I409 HydrophobicContact CG2-CG2 4.28Å; I272-I413 HydrophobicContact CD1-CG2 4.36Å; I272-L469 HydrophobicContact CG1-CD2 4.12Å
273E93.3Very high85.5Confident21 Ų2140.6 Ų40.610%0.09819%0.192CC..EExtended strand (participates in β ladder)trans-69.7107176.8-65.8-168.7176.500109.9V319 D358 T359 N471 P473E273-V319 HydrophobicContact CB-CG1 3.86Å; E273-V319 HydrophobicContact CB-CG2 4.16Å; E273-V319 HydrophobicContact CG-CG1 3.93Å; E273-D358 WeakPolarHBondContact CB-OD2 3.09Å; E273-D358 PolarHBondContact N-OD2 3.27Å; E273-D358 PolarHBondContact O-N 3.27Å; E273-T359 PolarHBondContact O-N 2.87Å; E273-N471 PolarHBondContact OE1-ND2 3.16Å; E273-P473 HydrophobicContact CG-CB 4.49Å; E273-P473 HydrophobicContact CG-CG 4.18Å; E273-P473 WeakPolarHBondContact OE1-CA 3.22Å
274T95.1Very high87.2Confident0 Ų035.1 Ų35.10%018%0.177CC..EExtended strand (participates in β ladder)trans-111.4123.3-169.1-58.80000111I272 I276 S317 V318 V319 T359 Q361 M405I272-T274 PolarHBondContact O-N 3.21Å; I272-T274 PolarHBondContact O-OG1 2.77Å; I272-T274 VanDerWaalsContact O-OG1 3.08Å; T274-I276 HydrophobicContact CG2-CG1 4.03Å; T274-S317 PolarHBondContact N-O 2.57Å; T274-V318 WeakPolarHBondContact O-CA 3.48Å; T274-V319 PolarHBondContact O-N 3.13Å; T274-T359 WeakPolarHBondContact CA-O 3.22Å; T274-T359 HydrophobicContact CG2-CG2 4.19Å; T274-Q361 HydrophobicContact CG2-CB 4.49Å; T274-Q361 HydrophobicContact CG2-CG 4.07Å; T274-M405 HydrophobicContact CG2-CE 3.79Å
275A95.2Very high88.5Confident2 Ų235 Ų352%0.01717%0.174CC..EExtended strand (participates in β ladder)trans-89.8120.716700000109.9Y320 R357 T359 T360 Q361A275-Y320 HydrophobicContact CB-CD1 4.07Å; A275-R357 HydrophobicContact CB-CB 4.19Å; A275-R357 HydrophobicContact CB-CG 4.18Å; A275-T359 PolarHBondContact N-O 3.09Å; A275-T360 HydrophobicContact CB-CG2 3.91Å; A275-T360 CarbonylContact O-C 3.55Å; A275-T360 VanDerWaalsContact O-CA 3.32Å; A275-T360 WeakPolarHBondContact O-CA 3.3Å; A275-Q361 PolarHBondContact O-N 2.83Å
276I96.3Very high89.4Confident0 Ų033.4 Ų33.40%016%0.161CC..EExtended strand (participates in β ladder)trans-102.8124.3-179.3-60179.8000110T274 V278 A298 A302 V318 Y320 I321 E322 L363 M405T274-I276 HydrophobicContact CG2-CG1 4.03Å; I276-V278 HydrophobicContact CG2-CG2 4.15Å; I276-A298 HydrophobicContact CG2-CB 4.46Å; I276-A302 HydrophobicContact CD1-CB 3.9Å; I276-V318 HydrophobicContact CD1-CB 4.46Å; I276-V318 HydrophobicContact CD1-CG1 3.87Å; I276-V318 HydrophobicContact CD1-CG2 3.68Å; I276-V318 HydrophobicContact CG1-CG1 4.13Å; I276-Y320 PolarHBondContact N-O 3.03Å; I276-I321 CarbonylContact O-C 2.99Å; I276-I321 WeakPolarHBondContact O-CA 3.46Å; I276-E322 PolarHBondContact O-N 3.24Å; I276-L363 HydrophobicContact CG2-CD1 3.9Å; I276-L363 HydrophobicContact CG2-CG 4.14Å; I276-M405 HydrophobicContact CD1-CE 4.2Å; I276-M405 HydrophobicContact CG1-CE 4.35Å
277I96Very high89.4Confident0 Ų035 Ų350%018%0.178CC..EExtended strand (participates in β ladder)trans-111.6127.5175.6-46.2-59.9000108.2Y320 E322 W324 F344 L352 T360 Q361 L362 L363I277-Y320 HydrophobicContact CD1-CD1 4.2Å; I277-Y320 HydrophobicContact CD1-CE1 3.98Å; I277-E322 HydrophobicContact CD1-CB 3.53Å; I277-E322 HydrophobicContact CD1-CG 4.47Å; I277-E322 HydrophobicContact CG2-CB 4.38Å; I277-W324 HydrophobicContact CG2-CD2 4.23Å; I277-W324 HydrophobicContact CG2-CH2 4.18Å; I277-W324 HydrophobicContact CG2-CZ2 3.61Å; I277-F344 HydrophobicContact CB-CE2 4.1Å; I277-F344 HydrophobicContact CB-CZ 4.15Å; I277-F344 HydrophobicContact CG1-CE2 3.89Å; I277-F344 HydrophobicContact CG1-CZ 3.75Å; I277-F344 HydrophobicContact CG2-CE2 4.2Å; I277-L352 HydrophobicContact CD1-CD1 3.87Å; I277-T360 HydrophobicContact CD1-CG2 4.21Å; I277-T360 HydrophobicContact CG1-CG2 3.75Å; I277-Q361 PolarHBondContact N-O 3.17Å; I277-L362 HydrophobicContact CB-CD1 3.9Å; I277-L362 HydrophobicContact CG2-CD1 3.76Å; I277-L362 WeakPolarHBondContact O-CA 3.25Å; I277-L363 PolarHBondContact O-N 2.69Å
278V95.4Very high89.3Confident0 Ų030.8 Ų30.80%017%0.174CC..EExtended strand (participates in β ladder)trans-113.8116.8-179.9-1770000109.3I276 M282 F283 V294 A298 E322 T323 W324I276-V278 HydrophobicContact CG2-CG2 4.15Å; V278-M282 HydrophobicContact CG1-CB 3.59Å; V278-M282 HydrophobicContact CG1-CG 3.92Å; V278-F283 HydrophobicContact CB-CE2 4.44Å; V278-F283 HydrophobicContact CG1-CE2 3.77Å; V278-F283 HydrophobicContact CG1-CZ 4Å; V278-V294 HydrophobicContact CG1-CG1 3.96Å; V278-A298 HydrophobicContact CG2-CB 4.02Å; V278-E322 PolarHBondContact N-O 3.46Å; V278-T323 HydrophobicContact CB-CG2 4.26Å; V278-W324 PolarHBondContact O-N 3.09Å
279D94.2Very high89.3Confident0 Ų030 Ų300%017%0.165CC..  trans-78.9171.8-176.288.7-17000113.9A281 M282 F283 W324 L362 L363 T364 G365D279-A281 VanDerWaalsContact C-N 3.28Å; D279-A281 PolarHBondContact O-N 3Å; D279-A281 WeakPolarHBondContact OD1-CA 3.39Å; D279-A281 WeakPolarHBondContact OD1-CB 3.27Å; D279-A281 PolarHBondContact OD1-N 3.22Å; D279-M282 PolarHBondContact O-N 2.81Å; D279-M282 PolarHBondContact OD1-N 3.13Å; D279-F283 WeakPolarHBondContact O-CD2 3.47Å; D279-F283 WeakPolarHBondContact O-CE2 3.41Å; D279-W324 HydrophobicContact CB-CE3 4.01Å; D279-L362 HydrophobicContact CB-CD1 4.24Å; D279-L363 PolarHBondContact N-O 3.31Å; D279-T364 WeakPolarHBondContact OD1-CA 3.33Å; D279-T364 VanDerWaalsContact OD2-CB 3.31Å; D279-T364 WeakPolarHBondContact OD2-CB 3.48Å; D279-T364 PolarHBondContact OD2-OG1 3.07Å; D279-G365 PolarHBondContact OD1-N 2.9Å
280K92.4Very high89.1Confident72 Ų7230.7 Ų30.731%0.31317%0.17SC..Hα-helixtrans-61.2-37.4177.4-172.1-169.8177.2-60.60112.1M282 F283 D284 W324 N327K280-M282 VanDerWaalsContact C-N 3.28Å; K280-M282 PolarHBondContact O-N 3.12Å; K280-F283 WeakPolarHBondContact O-CB 3.25Å; K280-F283 PolarHBondContact O-N 3.33Å; K280-F283 VanDerWaalsContact O-N 3.07Å; K280-D284 IonicContact NZ-OD1 2.75Å; K280-D284 PolarHBondContact NZ-OD1 3.36Å; K280-D284 IonicContact NZ-OD2 3.71Å; K280-D284 PolarHBondContact NZ-OD2 3.42Å; K280-D284 PolarHBondContact O-N 3.49Å; K280-W324 WeakPolarHBondContact CA-O 3.47Å; K280-W324 WeakPolarHBondContact CB-O 3.34Å; K280-W324 PolarHBondContact N-O 3.21Å; K280-N327 WeakPolarHBondContact CB-OD1 3.29Å; K280-N327 PolarHBondContact N-OD1 2.92Å
281A92.3Very high88.8Confident6 Ų634.1 Ų34.15%0.0518%0.183CC..Hα-helixtrans-65.1-31.6-177.100000112D279 F283 D284 K285 E366D279-A281 VanDerWaalsContact C-N 3.28Å; D279-A281 PolarHBondContact O-N 3Å; D279-A281 WeakPolarHBondContact OD1-CA 3.39Å; D279-A281 WeakPolarHBondContact OD1-CB 3.27Å; D279-A281 PolarHBondContact OD1-N 3.22Å; A281-F283 VanDerWaalsContact C-N 3.28Å; A281-F283 PolarHBondContact O-N 2.87Å; A281-D284 PolarHBondContact O-N 3.27Å; A281-K285 WeakPolarHBondContact O-CB 3.41Å; A281-K285 PolarHBondContact O-N 2.88Å; A281-E366 HydrophobicContact CB-CB 4.49Å; A281-E366 HydrophobicContact CB-CG 3.74Å
282M92Very high88.3Confident1 Ų134.6 Ų34.61%0.00520%0.195CC..Hα-helixtrans-58.2-38.8171.4-76.2-65.8-78.900112.7V278 D279 K280 R286 V294 L363 T364 D392 L401V278-M282 HydrophobicContact CG1-CB 3.59Å; V278-M282 HydrophobicContact CG1-CG 3.92Å; D279-M282 PolarHBondContact O-N 2.81Å; D279-M282 PolarHBondContact OD1-N 3.13Å; K280-M282 VanDerWaalsContact C-N 3.28Å; K280-M282 PolarHBondContact O-N 3.12Å; M282-R286 PolarHBondContact O-NH1 3.49Å; M282-V294 HydrophobicContact CB-CG1 4.45Å; M282-L363 HydrophobicContact CE-CB 4.19Å; M282-L363 VanDerWaalsContact CG-O 3.27Å; M282-L363 WeakPolarHBondContact CG-O 3.41Å; M282-T364 VanDerWaalsContact SD-C 3.55Å; M282-D392 HydrophobicContact CE-CB 4.43Å; M282-D392 HydrophobicContact SD-CB 3.66Å; M282-L401 HydrophobicContact CE-CD2 4.04Å
283F90Very high87.8Confident41 Ų4136.8 Ų36.818%0.1821%0.205CC..Hα-helixtrans-73.8-46.9174.7-60.5-84.1000111.3V278 D279 K280 A281 K285 R286 N287 R291 V294 T323V278-F283 HydrophobicContact CB-CE2 4.44Å; V278-F283 HydrophobicContact CG1-CE2 3.77Å; V278-F283 HydrophobicContact CG1-CZ 4Å; D279-F283 WeakPolarHBondContact O-CD2 3.47Å; D279-F283 WeakPolarHBondContact O-CE2 3.41Å; K280-F283 WeakPolarHBondContact O-CB 3.25Å; K280-F283 PolarHBondContact O-N 3.33Å; K280-F283 VanDerWaalsContact O-N 3.07Å; A281-F283 VanDerWaalsContact C-N 3.28Å; A281-F283 PolarHBondContact O-N 2.87Å; F283-K285 VanDerWaalsContact C-N 3.26Å; F283-K285 PolarHBondContact O-N 3.26Å; F283-R286 CarbonylContact O-C 3.57Å; F283-R286 PolarHBondContact O-N 3.02Å; F283-R286 VanDerWaalsContact O-N 3.11Å; F283-N287 PolarHBondContact O-N 3.28Å; F283-N287 VanDerWaalsContact O-N 3.07Å; F283-R291 HydrophobicContact CE1-CB 4.45Å; F283-R291 HydrophobicContact CE1-CG 4.18Å; F283-V294 HydrophobicContact CD1-CB 3.95Å; F283-V294 HydrophobicContact CD1-CG1 4.01Å; F283-V294 HydrophobicContact CD1-CG2 3.66Å; F283-V294 HydrophobicContact CE1-CB 3.62Å; F283-V294 HydrophobicContact CE1-CG1 3.74Å; F283-V294 HydrophobicContact CE1-CG2 3.86Å; F283-V294 HydrophobicContact CZ-CB 4.36Å; F283-V294 HydrophobicContact CZ-CG1 4.09Å; F283-T323 HydrophobicContact CZ-CG2 3.93Å
284D89.5Confident87.6Confident79 Ų7935.9 Ų35.942%0.42220%0.201SC..Hα-helixtrans-58.6-38.1179.1-66.2-25.1000111.9K280 A281 R286 N287K280-D284 IonicContact NZ-OD1 2.75Å; K280-D284 PolarHBondContact NZ-OD1 3.36Å; K280-D284 IonicContact NZ-OD2 3.71Å; K280-D284 PolarHBondContact NZ-OD2 3.42Å; K280-D284 PolarHBondContact O-N 3.49Å; A281-D284 PolarHBondContact O-N 3.27Å; D284-R286 VanDerWaalsContact C-N 3.31Å; D284-R286 PolarHBondContact O-N 3.1Å; D284-N287 VanDerWaalsContact O-CB 3.25Å; D284-N287 WeakPolarHBondContact O-CB 3.3Å; D284-N287 PolarHBondContact O-N 3.3Å
285K86.8Confident87.3Confident54 Ų5436.5 Ų36.524%0.23520%0.204CC..Hα-helixtrans-69.6-26.5179.3-162.4176.9-155.7149.90113.3A281 F283 G365 D392 V395A281-K285 WeakPolarHBondContact O-CB 3.41Å; A281-K285 PolarHBondContact O-N 2.88Å; F283-K285 VanDerWaalsContact C-N 3.26Å; F283-K285 PolarHBondContact O-N 3.26Å; K285-G365 PolarHBondContact NZ-O 3.05Å; K285-D392 HydrophobicContact CD-CB 4.39Å; K285-D392 PolarHBondContact NZ-O 3.12Å; K285-V395 HydrophobicContact CD-CG2 3.99Å; K285-V395 HydrophobicContact CG-CG2 3.75Å
286R84.7Confident87Confident24 Ų2437.6 Ų37.69%0.09121%0.209CC..Hα-helixtrans-93.7-2.1175.3-71.2171173.561.711.3113.7M282 F283 D284 G288 S289 D297 D392 V395M282-R286 PolarHBondContact O-NH1 3.49Å; F283-R286 CarbonylContact O-C 3.57Å; F283-R286 PolarHBondContact O-N 3.02Å; F283-R286 VanDerWaalsContact O-N 3.11Å; D284-R286 VanDerWaalsContact C-N 3.31Å; D284-R286 PolarHBondContact O-N 3.1Å; R286-G288 PolarHBondContact O-N 3.39Å; R286-S289 PolarHBondContact O-N 3.05Å; R286-S289 VanDerWaalsContact O-N 3.17Å; R286-D297 IonicContact CZ-OD2 3.69Å; R286-D297 IonicContact NE-OD2 3.97Å; R286-D297 PolarHBondContact NE-OD2 3.22Å; R286-D297 IonicContact NH2-OD2 3.57Å; R286-D392 IonicContact CZ-OD2 2.83Å; R286-D392 VanDerWaalsContact CZ-OD2 3.22Å; R286-D392 IonicContact NH1-OD2 3.78Å; R286-D392 PolarHBondContact NH1-OD2 2.97Å; R286-D392 IonicContact NH2-OD2 3.85Å; R286-D392 PolarHBondContact NH2-OD2 3.43Å; R286-V395 HydrophobicContact CG-CG1 3.75Å; R286-V395 HydrophobicContact CG-CG2 4.45Å
287N70.1Confident86.7Confident149 Ų14939.1 Ų39.180%0.79722%0.217SC*.THydrogen-bonded Turntrans18.864.6163.3-142.2-14.2000117.1F283 D284F283-N287 PolarHBondContact O-N 3.28Å; F283-N287 VanDerWaalsContact O-N 3.07Å; D284-N287 VanDerWaalsContact O-CB 3.25Å; D284-N287 WeakPolarHBondContact O-CB 3.3Å; D284-N287 PolarHBondContact O-N 3.3Å
288G70.3Confident86.6Confident56 Ų5639.2 Ų39.258%0.57722%0.218SC*.THydrogen-bonded Turntrans136.5-18.9-178.600000114.6R286R286-G288 PolarHBondContact O-N 3.39Å
289S78.8Confident86.5Confident24 Ų2439.2 Ų39.217%0.16822%0.218CC..  trans-66.5148.2172.6-83.60000113.7R286 E293R286-S289 PolarHBondContact O-N 3.05Å; R286-S289 VanDerWaalsContact O-N 3.17Å; S289-E293 WeakPolarHBondContact CA-OE2 3.25Å; S289-E293 WeakPolarHBondContact CB-OE2 3.42Å; S289-E293 PolarHBondContact OG-OE2 3.28Å
290T82.5Confident86.5Confident74 Ų7439.3 Ų39.345%0.45422%0.218SC..  trans-74159.2172.368.30000111.8A292 E293 V294T290-A292 PolarHBondContact O-N 3.18Å; T290-E293 VanDerWaalsContact CB-OE1 3.26Å; T290-E293 WeakPolarHBondContact CB-OE1 3.48Å; T290-E293 WeakPolarHBondContact CG2-OE1 3.37Å; T290-E293 VanDerWaalsContact N-CD 3.35Å; T290-E293 PolarHBondContact N-OE1 3.39Å; T290-E293 VanDerWaalsContact N-OE1 3.14Å; T290-E293 PolarHBondContact N-OE2 3.34Å; T290-E293 PolarHBondContact O-N 2.77Å; T290-E293 VanDerWaalsContact O-N 3.17Å; T290-E293 VanDerWaalsContact OG1-CD 3.29Å; T290-E293 PolarHBondContact OG1-N 3.4Å; T290-E293 PolarHBondContact OG1-OE1 2.97Å; T290-V294 PolarHBondContact O-N 3.14Å
291R82.9Confident86.6Confident74 Ų7436.1 Ų36.128%0.27921%0.205SC..Hα-helixtrans-56-34.6175.2-179.7178.3171.2-111.2-12112.2Q143 H145 F283 I295 T323Q143-R291 VanDerWaalsContact CD-NH2 3.32Å; H145-R291 PolarHBondContact ND1-NE 3.26Å; F283-R291 HydrophobicContact CE1-CB 4.45Å; F283-R291 HydrophobicContact CE1-CG 4.18Å; R291-I295 HydrophobicContact CG-CD1 3.84Å; R291-I295 VanDerWaalsContact O-CD1 3.32Å; R291-I295 WeakPolarHBondContact O-CD1 3.38Å; R291-I295 VanDerWaalsContact O-CG1 3.29Å; R291-I295 WeakPolarHBondContact O-CG1 3.37Å; R291-I295 PolarHBondContact O-N 2.72Å; R291-T323 PolarHBondContact NE-OG1 2.81Å; R291-T323 PolarHBondContact NH2-OG1 3.25Å
292A81.9Confident86.8Confident50 Ų5035.8 Ų35.841%0.41320%0.202SC..Hα-helixtrans-64.7-45.7178.200000112T290 V294 I295 H296T290-A292 PolarHBondContact O-N 3.18Å; A292-V294 PolarHBondContact O-N 2.84Å; A292-I295 PolarHBondContact O-N 3.06Å; A292-I295 VanDerWaalsContact O-N 3.16Å; A292-H296 PolarHBondContact O-CD2 2.87Å; A292-H296 PolarHBondContact O-N 2.9Å
293E83.8Confident87Confident46 Ų4635.8 Ų35.822%0.21520%0.202CC..Hα-helixtrans-56.3-48.4175.6-71.2149.1-12200111.8S289 T290 I295 H296 D297S289-E293 WeakPolarHBondContact CA-OE2 3.25Å; S289-E293 WeakPolarHBondContact CB-OE2 3.42Å; S289-E293 PolarHBondContact OG-OE2 3.28Å; T290-E293 VanDerWaalsContact CB-OE1 3.26Å; T290-E293 WeakPolarHBondContact CB-OE1 3.48Å; T290-E293 WeakPolarHBondContact CG2-OE1 3.37Å; T290-E293 VanDerWaalsContact N-CD 3.35Å; T290-E293 PolarHBondContact N-OE1 3.39Å; T290-E293 VanDerWaalsContact N-OE1 3.14Å; T290-E293 PolarHBondContact N-OE2 3.34Å; T290-E293 PolarHBondContact O-N 2.77Å; T290-E293 VanDerWaalsContact O-N 3.17Å; T290-E293 VanDerWaalsContact OG1-CD 3.29Å; T290-E293 PolarHBondContact OG1-N 3.4Å; T290-E293 PolarHBondContact OG1-OE1 2.97Å; E293-I295 PolarHBondContact O-N 2.04Å; E293-H296 PolarHBondContact O-N 3.28Å; E293-D297 PolarHBondContact O-N 3.03Å
294V88.8Confident87.3Confident1 Ų133.8 Ų33.81%0.00619%0.193CC..Hα-helixtrans-64.3-29-179.9-171.10000112.4V278 M282 F283 T290 A292 A298V278-V294 HydrophobicContact CG1-CG1 3.96Å; M282-V294 HydrophobicContact CB-CG1 4.45Å; F283-V294 HydrophobicContact CD1-CB 3.95Å; F283-V294 HydrophobicContact CD1-CG1 4.01Å; F283-V294 HydrophobicContact CD1-CG2 3.66Å; F283-V294 HydrophobicContact CE1-CB 3.62Å; F283-V294 HydrophobicContact CE1-CG1 3.74Å; F283-V294 HydrophobicContact CE1-CG2 3.86Å; F283-V294 HydrophobicContact CZ-CB 4.36Å; F283-V294 HydrophobicContact CZ-CG1 4.09Å; T290-V294 PolarHBondContact O-N 3.14Å; A292-V294 PolarHBondContact O-N 2.84Å; V294-A298 WeakPolarHBondContact O-CB 3.06Å; V294-A298 PolarHBondContact O-N 3.33Å; V294-A298 VanDerWaalsContact O-N 3.14Å
295I89.3Confident87.6Confident13 Ų1330 Ų307%0.06717%0.173CC..Hα-helixtrans-73.1-41.8172.2-66.5158.7000110.9R291 A292 E293 D297 A298 I299 I321 T323R291-I295 HydrophobicContact CG-CD1 3.84Å; R291-I295 VanDerWaalsContact O-CD1 3.32Å; R291-I295 WeakPolarHBondContact O-CD1 3.38Å; R291-I295 VanDerWaalsContact O-CG1 3.29Å; R291-I295 WeakPolarHBondContact O-CG1 3.37Å; R291-I295 PolarHBondContact O-N 2.72Å; A292-I295 PolarHBondContact O-N 3.06Å; A292-I295 VanDerWaalsContact O-N 3.16Å; E293-I295 PolarHBondContact O-N 2.04Å; I295-D297 VanDerWaalsContact C-N 3.35Å; I295-A298 PolarHBondContact O-N 3.31Å; I295-I299 HydrophobicContact CG2-CD1 3.8Å; I295-I299 HydrophobicContact CG2-CG1 4.45Å; I295-I299 WeakPolarHBondContact O-CG1 3.5Å; I295-I299 PolarHBondContact O-N 2.91Å; I295-I321 HydrophobicContact CG2-CD1 4.3Å; I295-T323 HydrophobicContact CD1-CG2 4.33Å; I295-T323 HydrophobicContact CG1-CG2 3.99Å
296H88.7Confident88Confident26 Ų2627.5 Ų27.512%0.1216%0.162CC..Hα-helixtrans-62.3-41.5175.3-72-65.6000111.8Y164 C182 A292 E293 I299 Q300Y164-H296 PolarHBondContact OH-ND1 3.07Å; C182-H296 PolarHBondContact SG-CE1 2.74Å; A292-H296 PolarHBondContact O-CD2 2.87Å; A292-H296 PolarHBondContact O-N 2.9Å; E293-H296 PolarHBondContact O-N 3.28Å; H296-I299 PolarHBondContact O-N 3.08Å; H296-Q300 WeakPolarHBondContact O-CB 3.06Å; H296-Q300 PolarHBondContact O-N 2.82Å
297D90.4Very high88.4Confident32 Ų3227.1 Ų27.117%0.17116%0.162CC..Hα-helixtrans-57.3-49.6172-76.47000111.3R286 E293 I295 I299 Q300 V301R286-D297 IonicContact CZ-OD2 3.69Å; R286-D297 IonicContact NE-OD2 3.97Å; R286-D297 PolarHBondContact NE-OD2 3.22Å; R286-D297 IonicContact NH2-OD2 3.57Å; E293-D297 PolarHBondContact O-N 3.03Å; I295-D297 VanDerWaalsContact C-N 3.35Å; D297-I299 VanDerWaalsContact C-N 3.35Å; D297-I299 PolarHBondContact O-N 3.36Å; D297-Q300 PolarHBondContact O-N 2.93Å; D297-V301 WeakPolarHBondContact O-CG2 3.47Å; D297-V301 PolarHBondContact O-N 3.44Å
298A93.6Very high89.5Confident1 Ų120.2 Ų20.21%0.00813%0.125CC..Hα-helixtrans-63.2-37.8-17900000112.9I276 V278 V294 I295 A302 L363I276-A298 HydrophobicContact CG2-CB 4.46Å; V278-A298 HydrophobicContact CG2-CB 4.02Å; V294-A298 WeakPolarHBondContact O-CB 3.06Å; V294-A298 PolarHBondContact O-N 3.33Å; V294-A298 VanDerWaalsContact O-N 3.14Å; I295-A298 PolarHBondContact O-N 3.31Å; A298-A302 PolarHBondContact O-N 2.83Å; A298-L363 HydrophobicContact CB-CD1 3.91Å
299I93.6Very high90.7Very high0 Ų017.5 Ų17.50%010%0.097CC..Hα-helixtrans-72.8-35.8174.5-61.9164.7000110.9L136 L137 I160 Y164 I295 H296 D297 V301 A302 N303 I321L136-I299 HydrophobicContact CD2-CG2 3.87Å; L136-I299 HydrophobicContact CG-CG2 4.42Å; L137-I299 HydrophobicContact CD2-CD1 4.26Å; L137-I299 HydrophobicContact CD2-CG1 4.36Å; L137-I299 HydrophobicContact CD2-CG2 3.79Å; L137-I299 HydrophobicContact CG-CG2 4.49Å; I160-I299 HydrophobicContact CG2-CD1 3.72Å; Y164-I299 HydrophobicContact CD1-CG2 3.87Å; Y164-I299 HydrophobicContact CD2-CG2 3.96Å; Y164-I299 HydrophobicContact CE1-CB 3.83Å; Y164-I299 HydrophobicContact CE1-CG2 3.49Å; Y164-I299 VanDerWaalsContact CE1-CG2 3.49Å; Y164-I299 HydrophobicContact CE2-CB 4.35Å; Y164-I299 HydrophobicContact CE2-CG2 3.58Å; Y164-I299 HydrophobicContact CG-CG2 4.11Å; I295-I299 HydrophobicContact CG2-CD1 3.8Å; I295-I299 HydrophobicContact CG2-CG1 4.45Å; I295-I299 WeakPolarHBondContact O-CG1 3.5Å; I295-I299 PolarHBondContact O-N 2.91Å; H296-I299 PolarHBondContact O-N 3.08Å; D297-I299 VanDerWaalsContact C-N 3.35Å; D297-I299 PolarHBondContact O-N 3.36Å; I299-V301 VanDerWaalsContact C-N 3.33Å; I299-V301 PolarHBondContact O-N 3.42Å; I299-A302 CarbonylContact O-C 3.49Å; I299-A302 WeakPolarHBondContact O-CB 3.2Å; I299-A302 PolarHBondContact O-N 3.39Å; I299-N303 PolarHBondContact O-N 3.41Å; I299-I321 HydrophobicContact CD1-CD1 3.77Å; I299-I321 HydrophobicContact CG1-CD1 3.69Å
300Q94.4Very high91.3Very high3 Ų322.4 Ų22.41%0.01411%0.112CC..Hα-helixtrans-66.9-34.1174.7175.660.311.700112.1Y164 A178 H296 D297 A302 N303 I304Y164-Q300 HydrophobicContact CE1-CB 4.34Å; A178-Q300 PolarHBondContact O-NE2 3.47Å; H296-Q300 WeakPolarHBondContact O-CB 3.06Å; H296-Q300 PolarHBondContact O-N 2.82Å; D297-Q300 PolarHBondContact O-N 2.93Å; Q300-A302 VanDerWaalsContact C-N 3.34Å; Q300-N303 WeakPolarHBondContact O-CB 3.07Å; Q300-N303 PolarHBondContact O-N 2.81Å; Q300-N303 PolarHBondContact OE1-ND2 2.95Å; Q300-I304 HydrophobicContact CG-CD1 4.22Å; Q300-I304 VanDerWaalsContact O-CG1 3.31Å; Q300-I304 WeakPolarHBondContact O-CG1 3.49Å; Q300-I304 PolarHBondContact O-N 3.34Å
301V95.3Very high91.6Very high4 Ų422.4 Ų22.42%0.02411%0.112CC..Hα-helixtrans-59-46.1169.2166.20000110.5D297 I299 I304 A305 L363 P398 L401 A402 M405D297-V301 WeakPolarHBondContact O-CG2 3.47Å; D297-V301 PolarHBondContact O-N 3.44Å; I299-V301 VanDerWaalsContact C-N 3.33Å; I299-V301 PolarHBondContact O-N 3.42Å; V301-I304 PolarHBondContact O-N 3.34Å; V301-A305 PolarHBondContact O-N 3.31Å; V301-L363 HydrophobicContact CG1-CD1 4.39Å; V301-P398 HydrophobicContact CG2-CB 4.02Å; V301-L401 HydrophobicContact CG1-CB 4.47Å; V301-L401 HydrophobicContact CG1-CD2 4.48Å; V301-L401 HydrophobicContact CG1-CG 4Å; V301-L401 HydrophobicContact CG2-CB 4.26Å; V301-L401 HydrophobicContact CG2-CD2 4.01Å; V301-L401 HydrophobicContact CG2-CG 4.17Å; V301-A402 HydrophobicContact CG1-CB 4.19Å; V301-A402 WeakPolarHBondContact O-CB 3.18Å; V301-M405 HydrophobicContact CG1-SD 3.88Å
302A96.2Very high91.9Very high0 Ų019.9 Ų19.90%010%0.104CC..Hα-helixtrans-64.6-38174.600000113L136 I276 A298 I299 Q300 I304 A305 D306 V318 M405L136-A302 HydrophobicContact CD1-CB 4.03Å; I276-A302 HydrophobicContact CD1-CB 3.9Å; A298-A302 PolarHBondContact O-N 2.83Å; I299-A302 CarbonylContact O-C 3.49Å; I299-A302 WeakPolarHBondContact O-CB 3.2Å; I299-A302 PolarHBondContact O-N 3.39Å; Q300-A302 VanDerWaalsContact C-N 3.34Å; A302-I304 VanDerWaalsContact C-N 3.31Å; A302-I304 PolarHBondContact O-N 2.94Å; A302-A305 PolarHBondContact O-N 2.94Å; A302-D306 WeakPolarHBondContact O-CB 3.25Å; A302-D306 PolarHBondContact O-N 3.42Å; A302-V318 HydrophobicContact CB-CG2 3.77Å; A302-M405 HydrophobicContact CB-CE 4.41Å
303N95.9Very high92.3Very high0 Ų020.7 Ų20.70%010%0.101CC..Hα-helixtrans-60.4-39.2176-170.633.4000112.3N133 L136 Y164 Y165 H166 F179 I299 Q300 L307N133-N303 PolarHBondContact ND2-OD1 3.29Å; L136-N303 HydrophobicContact CD1-CB 4.46Å; L136-N303 HydrophobicContact CD2-CB 3.58Å; Y164-N303 HydrophobicContact CD1-CB 4.44Å; Y165-N303 PolarHBondContact O-ND2 2.84Å; Y165-N303 VanDerWaalsContact O-ND2 3.17Å; H166-N303 PolarHBondContact CD2-OD1 2.96Å; H166-N303 VanDerWaalsContact CD2-OD1 3.28Å; H166-N303 PolarHBondContact NE2-O 2.96Å; H166-N303 PolarHBondContact NE2-OD1 3.24Å; F179-N303 PolarHBondContact O-ND2 3.47Å; I299-N303 PolarHBondContact O-N 3.41Å; Q300-N303 WeakPolarHBondContact O-CB 3.07Å; Q300-N303 PolarHBondContact O-N 2.81Å; Q300-N303 PolarHBondContact OE1-ND2 2.95Å; N303-L307 PolarHBondContact O-N 2.72Å
304I95Very high92.7Very high0 Ų018.5 Ų18.50%09%0.091CC..Hα-helixtrans-73-41175.5-62.6163000110.5A178 V188 Q300 V301 A302 D306 L307 Y308 P398 H399 A402A178-I304 HydrophobicContact CB-CG1 3.83Å; V188-I304 HydrophobicContact CG1-CD1 4.36Å; V188-I304 HydrophobicContact CG2-CD1 4.07Å; V188-I304 HydrophobicContact CG2-CG1 4.09Å; V188-I304 HydrophobicContact CG2-CG2 4.44Å; Q300-I304 HydrophobicContact CG-CD1 4.22Å; Q300-I304 VanDerWaalsContact O-CG1 3.31Å; Q300-I304 WeakPolarHBondContact O-CG1 3.49Å; Q300-I304 PolarHBondContact O-N 3.34Å; V301-I304 PolarHBondContact O-N 3.34Å; A302-I304 VanDerWaalsContact C-N 3.31Å; A302-I304 PolarHBondContact O-N 2.94Å; I304-D306 PolarHBondContact O-N 3.22Å; I304-L307 WeakPolarHBondContact O-CB 3.24Å; I304-L307 PolarHBondContact O-N 2.58Å; I304-Y308 HydrophobicContact CG2-CE1 3.97Å; I304-Y308 HydrophobicContact CG2-CE2 3.76Å; I304-Y308 VanDerWaalsContact CG2-CZ 3.42Å; I304-Y308 WeakPolarHBondContact CG2-OH 3.35Å; I304-Y308 PolarHBondContact O-N 3.45Å; I304-P398 HydrophobicContact CD1-CB 4.06Å; I304-P398 HydrophobicContact CD1-CG 4.1Å; I304-H399 HydrophobicContact CG2-CB 4.47Å; I304-A402 HydrophobicContact CB-CB 3.6Å; I304-A402 HydrophobicContact CG2-CB 3.49Å; I304-A402 VanDerWaalsContact CG2-CB 3.49Å
305A95.7Very high92.9Very high0 Ų020.2 Ų20.20%010%0.097CC..Hα-helixtrans-62.6-41.3176.300000112.2V301 A302 L307 Y308 F309V301-A305 PolarHBondContact O-N 3.31Å; A302-A305 PolarHBondContact O-N 2.94Å; A305-L307 VanDerWaalsContact C-N 3.32Å; A305-L307 PolarHBondContact O-N 2.9Å; A305-Y308 WeakPolarHBondContact O-CB 3Å; A305-Y308 PolarHBondContact O-N 2.75Å; A305-F309 WeakPolarHBondContact O-CD2 3.27Å; A305-F309 PolarHBondContact O-N 2.92Å
306D95.7Very high93.2Very high0 Ų019.6 Ų19.60%09%0.094CC..Hα-helixtrans-60.1-37.717317755.6000112.4N133 H166 A302 I304 Y308 F309 R310 R315 V316N133-D306 PolarHBondContact ND2-OD2 3.45Å; H166-D306 IonicContact CE1-OD2 2.69Å; H166-D306 PolarHBondContact CE1-OD2 2.76Å; H166-D306 IonicContact NE2-OD2 3.15Å; H166-D306 PolarHBondContact NE2-OD2 2.6Å; A302-D306 WeakPolarHBondContact O-CB 3.25Å; A302-D306 PolarHBondContact O-N 3.42Å; I304-D306 PolarHBondContact O-N 3.22Å; D306-Y308 PolarHBondContact O-N 3.16Å; D306-F309 PolarHBondContact O-N 2.78Å; D306-R310 WeakPolarHBondContact O-CB 3.3Å; D306-R310 PolarHBondContact O-N 3.44Å; D306-R315 VanDerWaalsContact OD1-CA 3.25Å; D306-R315 WeakPolarHBondContact OD1-CA 3.48Å; D306-R315 IonicContact OD1-CZ 2.95Å; D306-R315 IonicContact OD1-NE 2.66Å; D306-R315 PolarHBondContact OD1-NE 2.9Å; D306-R315 IonicContact OD1-NH2 3.02Å; D306-R315 PolarHBondContact OD1-NH2 2.66Å; D306-R315 IonicContact OD2-CZ 3.27Å; D306-R315 IonicContact OD2-NE 3.24Å; D306-R315 IonicContact OD2-NH2 2.96Å; D306-R315 PolarHBondContact OD2-NH2 2.99Å; D306-V316 HydrophobicContact CB-CB 4.04Å; D306-V316 PolarHBondContact OD1-N 2.78Å
307L93.7Very high93.4Very high17 Ų1718.4 Ų18.49%0.0899%0.089CC..Hα-helixtrans-61.3-33.6173-178.562.5000112H166 A178 N303 I304 A305H166-L307 PolarHBondContact CE1-N 3.25Å; A178-L307 HydrophobicContact CB-CD2 3.84Å; N303-L307 PolarHBondContact O-N 2.72Å; I304-L307 WeakPolarHBondContact O-CB 3.24Å; I304-L307 PolarHBondContact O-N 2.58Å; A305-L307 VanDerWaalsContact C-N 3.32Å; A305-L307 PolarHBondContact O-N 2.9Å
308Y93.7Very high93.5Very high3 Ų316.9 Ų16.91%0.0128%0.081CC..Hα-helixtrans-75.9-44.2177-57.3-19.1000111.7H190 I304 A305 D306 R310 T311 A402 A406 I433H190-Y308 PolarHBondContact CE1-OH 3.33Å; H190-Y308 AromaticContact NE2-CE1 3.62Å; H190-Y308 AromaticContact NE2-CZ 3.76Å; H190-Y308 PolarHBondContact NE2-OH 3.25Å; I304-Y308 HydrophobicContact CG2-CE1 3.97Å; I304-Y308 HydrophobicContact CG2-CE2 3.76Å; I304-Y308 VanDerWaalsContact CG2-CZ 3.42Å; I304-Y308 WeakPolarHBondContact CG2-OH 3.35Å; I304-Y308 PolarHBondContact O-N 3.45Å; A305-Y308 WeakPolarHBondContact O-CB 3Å; A305-Y308 PolarHBondContact O-N 2.75Å; D306-Y308 PolarHBondContact O-N 3.16Å; Y308-R310 VanDerWaalsContact C-N 3.27Å; Y308-R310 PolarHBondContact O-N 3.42Å; Y308-T311 WeakPolarHBondContact O-CB 2.99Å; Y308-T311 WeakPolarHBondContact O-CG2 3.45Å; Y308-T311 PolarHBondContact O-N 2.87Å; Y308-T311 PolarHBondContact O-OG1 3.02Å; Y308-A402 HydrophobicContact CE2-CB 4.43Å; Y308-A406 HydrophobicContact CD2-CB 4.23Å; Y308-I433 HydrophobicContact CD2-CD1 4.19Å; Y308-I433 HydrophobicContact CG-CD1 4.14Å
309F94.9Very high93.4Very high0 Ų017.4 Ų17.40%08%0.083CC..Hα-helixtrans-66.2-25.2176.2-80.4-71.2000114I272 A305 D306 T311 L312 T314 V316 A406 I409 I413 F449I272-F309 HydrophobicContact CD1-CD1 4.3Å; I272-F309 HydrophobicContact CD1-CE1 4.29Å; A305-F309 WeakPolarHBondContact O-CD2 3.27Å; A305-F309 PolarHBondContact O-N 2.92Å; D306-F309 PolarHBondContact O-N 2.78Å; F309-T311 PolarHBondContact O-N 2.69Å; F309-L312 PolarHBondContact O-N 2.66Å; F309-T314 CarbonylContact C-O 3.59Å; F309-T314 HydrophobicContact CB-CG2 4.44Å; F309-T314 WeakPolarHBondContact CB-O 3.32Å; F309-T314 HydrophobicContact CD1-CG2 4.35Å; F309-T314 PolarHBondContact O-N 3.48Å; F309-V316 HydrophobicContact CB-CG2 4.21Å; F309-V316 HydrophobicContact CD2-CG2 3.33Å; F309-V316 HydrophobicContact CE2-CG2 3.95Å; F309-V316 HydrophobicContact CG-CG2 3.98Å; F309-A406 HydrophobicContact CE2-CB 3.93Å; F309-A406 HydrophobicContact CZ-CB 4.38Å; F309-A406 WeakPolarHBondContact CZ-O 3.37Å; F309-I409 HydrophobicContact CE1-CG2 4.19Å; F309-I409 HydrophobicContact CE2-CB 4.02Å; F309-I409 HydrophobicContact CE2-CD1 4.28Å; F309-I409 HydrophobicContact CE2-CG2 3.9Å; F309-I409 HydrophobicContact CZ-CB 3.72Å; F309-I409 HydrophobicContact CZ-CG2 3.45Å; F309-I409 VanDerWaalsContact CZ-CG2 3.45Å; F309-I413 HydrophobicContact CE1-CD1 3.81Å; F309-F449 AromaticContact CD1-CE2 3.92Å; F309-F449 HydrophobicContact CD1-CE2 3.92Å; F309-F449 AromaticContact CD1-CZ 3.95Å; F309-F449 HydrophobicContact CD1-CZ 3.95Å; F309-F449 HydrophobicContact CE1-CE1 4.32Å; F309-F449 AromaticContact CE1-CE2 3.98Å; F309-F449 HydrophobicContact CE1-CE2 3.98Å; F309-F449 AromaticContact CE1-CZ 3.5Å; F309-F449 HydrophobicContact CE1-CZ 3.5Å; F309-F449 HydrophobicContact CE2-CZ 4.44Å; F309-F449 HydrophobicContact CG-CE2 4.39Å; F309-F449 AromaticContact CZ-CZ 3.78Å; F309-F449 HydrophobicContact CZ-CZ 3.78Å
310R91.3Very high93.3Very high127 Ų12717.4 Ų17.448%0.4798%0.084SC..G310 helixtrans-54.2-24.6172.2-169.5173.3178.5166.50.4113H166 D306 Y308 L312 N313 T314H166-R310 PolarHBondContact ND1-NH1 2.87Å; D306-R310 WeakPolarHBondContact O-CB 3.3Å; D306-R310 PolarHBondContact O-N 3.44Å; Y308-R310 VanDerWaalsContact C-N 3.27Å; Y308-R310 PolarHBondContact O-N 3.42Å; R310-L312 PolarHBondContact O-N 2.85Å; R310-N313 PolarHBondContact O-N 2.99Å; R310-T314 PolarHBondContact N-O 3.35Å
311T88.5Confident93.2Very high73 Ų7317.3 Ų17.345%0.4488%0.083SC..G310 helixtrans-67.8-15.6173.865.60000114.4Y308 F309Y308-T311 WeakPolarHBondContact O-CB 2.99Å; Y308-T311 WeakPolarHBondContact O-CG2 3.45Å; Y308-T311 PolarHBondContact O-N 2.87Å; Y308-T311 PolarHBondContact O-OG1 3.02Å; F309-T311 PolarHBondContact O-N 2.69Å
312L89.4Confident93.1Very high22 Ų2217.2 Ų17.212%0.1158%0.082CC..G310 helixtrans-111.719.4178.6-61.4177.4000112.9F309 R310 T314 M415 F449 K454 Y457F309-L312 PolarHBondContact O-N 2.66Å; R310-L312 PolarHBondContact O-N 2.85Å; L312-T314 PolarHBondContact O-N 3.45Å; L312-T314 PolarHBondContact O-OG1 2.87Å; L312-M415 HydrophobicContact CD1-CE 3.35Å; L312-F449 HydrophobicContact CD1-CB 4.13Å; L312-F449 HydrophobicContact CD1-CD1 4.31Å; L312-F449 HydrophobicContact CD1-CD2 3.51Å; L312-F449 HydrophobicContact CD1-CE2 3.95Å; L312-F449 HydrophobicContact CD1-CG 3.72Å; L312-F449 HydrophobicContact CD2-CB 4.24Å; L312-F449 HydrophobicContact CG-CB 4.39Å; L312-F449 HydrophobicContact CG-CD2 3.87Å; L312-F449 HydrophobicContact CG-CG 4.3Å; L312-K454 HydrophobicContact CD2-CB 3.94Å; L312-K454 HydrophobicContact CD2-CD 4.07Å; L312-K454 HydrophobicContact CD2-CG 3.9Å; L312-Y457 HydrophobicContact CD1-CD1 4.45Å
313N89.8Confident92.9Very high67 Ų6717.2 Ų17.236%0.3588%0.082SC..THydrogen-bonded Turntrans48.341.1-169.1-161.725.9000113.3E267 A268 T269 K270 R310E267-N313 PolarHBondContact O-ND2 3.22Å; A268-N313 PolarHBondContact O-ND2 2.97Å; T269-N313 WeakPolarHBondContact CA-O 3.44Å; T269-N313 PolarHBondContact OG1-ND2 3.16Å; T269-N313 PolarHBondContact OG1-OD1 2.7Å; K270-N313 PolarHBondContact N-O 2.88Å; R310-N313 PolarHBondContact O-N 2.99Å
314T92.4Very high92.7Very high0 Ų017.2 Ų17.20%08%0.082CC..EExtended strand (participates in β ladder)trans-129.2141.8-175.8-58.30000108.9K270 I272 F309 R310 L312 Y457K270-T314 HydrophobicContact CB-CG2 3.95Å; K270-T314 CarbonylContact O-C 3.51Å; K270-T314 WeakPolarHBondContact O-CA 3.39Å; I272-T314 HydrophobicContact CD1-CG2 3.62Å; I272-T314 HydrophobicContact CG1-CG2 3.73Å; F309-T314 CarbonylContact C-O 3.59Å; F309-T314 HydrophobicContact CB-CG2 4.44Å; F309-T314 WeakPolarHBondContact CB-O 3.32Å; F309-T314 HydrophobicContact CD1-CG2 4.35Å; F309-T314 PolarHBondContact O-N 3.48Å; R310-T314 PolarHBondContact N-O 3.35Å; L312-T314 PolarHBondContact O-N 3.45Å; L312-T314 PolarHBondContact O-OG1 2.87Å; T314-Y457 PolarHBondContact OG1-OH 3.41Å
315R93.8Very high92.2Very high37 Ų3717.8 Ų17.814%0.149%0.088CC..EExtended strand (participates in β ladder)trans-116.5145.3-177-55-52.7-53.1-82.4-1.4110.4N133 T269 K270 Y271 I272 D306N133-R315 PolarHBondContact OD1-NH2 3.13Å; T269-R315 HydrophobicContact CG2-CG 3.94Å; K270-R315 PolarHBondContact O-N 3.19Å; Y271-R315 CarbonylContact C-O 3.6Å; Y271-R315 WeakPolarHBondContact CA-O 3.36Å; Y271-R315 HydrophobicContact CD1-CB 3.81Å; Y271-R315 HydrophobicContact CD1-CG 4.1Å; Y271-R315 HydrophobicContact CE1-CB 4.29Å; Y271-R315 HydrophobicContact CE1-CG 4.08Å; I272-R315 PolarHBondContact N-O 3.29Å; D306-R315 VanDerWaalsContact OD1-CA 3.25Å; D306-R315 WeakPolarHBondContact OD1-CA 3.48Å; D306-R315 IonicContact OD1-CZ 2.95Å; D306-R315 IonicContact OD1-NE 2.66Å; D306-R315 PolarHBondContact OD1-NE 2.9Å; D306-R315 IonicContact OD1-NH2 3.02Å; D306-R315 PolarHBondContact OD1-NH2 2.66Å; D306-R315 IonicContact OD2-CZ 3.27Å; D306-R315 IonicContact OD2-NE 3.24Å; D306-R315 IonicContact OD2-NH2 2.96Å; D306-R315 PolarHBondContact OD2-NH2 2.99Å
316V94.7Very high91.8Very high0 Ų023.1 Ų23.10%011%0.112CC..EExtended strand (participates in β ladder)trans-105.6124.6170.2178.70000108.6D306 F309D306-V316 HydrophobicContact CB-CB 4.04Å; D306-V316 PolarHBondContact OD1-N 2.78Å; F309-V316 HydrophobicContact CB-CG2 4.21Å; F309-V316 HydrophobicContact CD2-CG2 3.33Å; F309-V316 HydrophobicContact CE2-CG2 3.95Å; F309-V316 HydrophobicContact CG-CG2 3.98Å
317S93.3Very high91.5Very high1 Ų125 Ų251%0.00712%0.121CC..EExtended strand (participates in β ladder)trans-123.6133.1179.9-161.30000110.8Q135 I272 T274 P473Q135-S317 VanDerWaalsContact O-CB 3.23Å; Q135-S317 WeakPolarHBondContact O-CB 3.36Å; Q135-S317 PolarHBondContact O-OG 2.6Å; I272-S317 PolarHBondContact O-N 2.96Å; T274-S317 PolarHBondContact N-O 2.57Å; S317-P473 VanDerWaalsContact CB-CG 3.41Å
318V93.6Very high91.2Very high0 Ų027.2 Ų27.20%013%0.132CC..EExtended strand (participates in β ladder)trans-91111.3-179.7-170.20000109L136 L137 S138 I141 T274 I276 A302 I321L136-V318 HydrophobicContact CD1-CG2 4.43Å; L136-V318 PolarHBondContact O-N 3Å; L137-V318 HydrophobicContact CD2-CB 4.17Å; S138-V318 PolarHBondContact N-O 3.32Å; S138-V318 VanDerWaalsContact N-O 3.14Å; I141-V318 HydrophobicContact CD1-CB 4.21Å; I141-V318 HydrophobicContact CD1-CG1 3.91Å; I141-V318 WeakPolarHBondContact CD1-O 3.02Å; T274-V318 WeakPolarHBondContact O-CA 3.48Å; I276-V318 HydrophobicContact CD1-CB 4.46Å; I276-V318 HydrophobicContact CD1-CG1 3.87Å; I276-V318 HydrophobicContact CD1-CG2 3.68Å; I276-V318 HydrophobicContact CG1-CG1 4.13Å; A302-V318 HydrophobicContact CB-CG2 3.77Å; V318-I321 HydrophobicContact CG1-CD1 3.98Å; V318-I321 HydrophobicContact CG1-CG1 3.6Å
319V90.6Very high91Very high11 Ų1127.5 Ų27.57%0.06713%0.134CC..EExtended strand (participates in β ladder)trans-97.3-25178.7-65.30000112.5Q142 E273 T274 E356 R357Q142-V319 PolarHBondContact N-O 3.16Å; Q142-V319 VanDerWaalsContact N-O 3.16Å; E273-V319 HydrophobicContact CB-CG1 3.86Å; E273-V319 HydrophobicContact CB-CG2 4.16Å; E273-V319 HydrophobicContact CG-CG1 3.93Å; T274-V319 PolarHBondContact O-N 3.13Å; V319-E356 WeakPolarHBondContact CG2-O 3.47Å; V319-R357 HydrophobicContact CG2-CB 4.15Å
320Y91.8Very high90.9Very high1 Ų132 Ų320%0.00416%0.162CC..EExtended strand (participates in β ladder)trans-145.3140.2-177-176.5-114.4000112.5Q142 K144 A275 I276 I277 E322 L352 I355Q142-Y320 HydrophobicContact CB-CD2 3.72Å; Q142-Y320 HydrophobicContact CB-CE2 4.21Å; Q142-Y320 WeakPolarHBondContact O-CA 3.45Å; Q142-Y320 VanDerWaalsContact O-CD2 3.28Å; Q142-Y320 WeakPolarHBondContact O-CD2 3.46Å; K144-Y320 HydrophobicContact CB-CE2 4.5Å; K144-Y320 HydrophobicContact CD-CE2 4.34Å; K144-Y320 WeakPolarHBondContact CD-OH 3.4Å; K144-Y320 HydrophobicContact CG-CE2 4.08Å; K144-Y320 WeakPolarHBondContact CG-OH 3.28Å; A275-Y320 HydrophobicContact CB-CD1 4.07Å; I276-Y320 PolarHBondContact N-O 3.03Å; I277-Y320 HydrophobicContact CD1-CD1 4.2Å; I277-Y320 HydrophobicContact CD1-CE1 3.98Å; Y320-E322 HydrophobicContact CE1-CB 3.71Å; Y320-E322 HydrophobicContact CE1-CG 4.43Å; Y320-E322 PolarHBondContact OH-OE2 2.88Å; Y320-L352 HydrophobicContact CD1-CD2 4.3Å; Y320-L352 HydrophobicContact CE1-CD2 3.47Å; Y320-L352 VanDerWaalsContact CE1-CD2 3.47Å; Y320-I355 HydrophobicContact CD1-CD1 4.19Å; Y320-I355 HydrophobicContact CD2-CD1 3.62Å; Y320-I355 HydrophobicContact CD2-CG2 4.3Å; Y320-I355 HydrophobicContact CE1-CD1 3.93Å; Y320-I355 HydrophobicContact CE2-CD1 3.33Å; Y320-I355 HydrophobicContact CG-CD1 4.02Å; Y320-I355 HydrophobicContact CG-CG2 4.15Å; Y320-I355 VanDerWaalsContact CZ-CD1 3.48Å
321I92.5Very high90.8Very high0 Ų026.6 Ų26.60%014%0.142CC..EExtended strand (participates in β ladder)trans-131.2122.9172.4-59.7178000111I141 Q142 Q143 K144 I160 I276 I295 I299 V318 T323I141-I321 HydrophobicContact CD1-CD1 3.88Å; I141-I321 HydrophobicContact CD1-CG1 4.12Å; Q142-I321 PolarHBondContact O-N 3.02Å; Q143-I321 CarbonylContact C-O 3.51Å; Q143-I321 VanDerWaalsContact CA-O 3.28Å; Q143-I321 WeakPolarHBondContact CA-O 3.2Å; Q143-I321 HydrophobicContact CG-CB 4.44Å; K144-I321 PolarHBondContact N-O 3.48Å; I160-I321 HydrophobicContact CD1-CD1 4.25Å; I276-I321 CarbonylContact O-C 2.99Å; I276-I321 WeakPolarHBondContact O-CA 3.46Å; I295-I321 HydrophobicContact CG2-CD1 4.3Å; I299-I321 HydrophobicContact CD1-CD1 3.77Å; I299-I321 HydrophobicContact CG1-CD1 3.69Å; V318-I321 HydrophobicContact CG1-CD1 3.98Å; V318-I321 HydrophobicContact CG1-CG1 3.6Å; I321-T323 HydrophobicContact CG2-CG2 4.38Å
322E92.4Very high90.7Very high2 Ų225.3 Ų25.31%0.00913%0.132CC..EExtended strand (participates in β ladder)trans-116.8144.6173.8-162.5168.8105.200111.7K144 Y146 I276 I277 V278 Y320 W324 Y347K144-E322 HydrophobicContact CB-CG 4.27Å; Y146-E322 HydrophobicContact CD2-CG 4.2Å; Y146-E322 HydrophobicContact CE2-CG 4.01Å; I276-E322 PolarHBondContact O-N 3.24Å; I277-E322 HydrophobicContact CD1-CB 3.53Å; I277-E322 HydrophobicContact CD1-CG 4.47Å; I277-E322 HydrophobicContact CG2-CB 4.38Å; V278-E322 PolarHBondContact N-O 3.46Å; Y320-E322 HydrophobicContact CE1-CB 3.71Å; Y320-E322 HydrophobicContact CE1-CG 4.43Å; Y320-E322 PolarHBondContact OH-OE2 2.88Å; E322-W324 PolarHBondContact OE1-NE1 3.4Å; E322-Y347 WeakPolarHBondContact OE1-CE1 3.44Å; E322-Y347 PolarHBondContact OE1-OH 2.93Å
323T92.1Very high90.5Very high0 Ų024.7 Ų24.70%013%0.132CC..EExtended strand (participates in β ladder)trans-136.1120-174.947.90000111.5K144 H145 Y146 V278 F283 R291 I295 I321K144-T323 PolarHBondContact O-N 3.1Å; K144-T323 VanDerWaalsContact O-N 3.09Å; K144-T323 PolarHBondContact O-OG1 3.03Å; H145-T323 PolarHBondContact ND1-O 3.27Å; H145-T323 PolarHBondContact ND1-OG1 3.21Å; H145-T323 VanDerWaalsContact ND1-OG1 3.07Å; Y146-T323 PolarHBondContact N-O 2.02Å; V278-T323 HydrophobicContact CB-CG2 4.26Å; F283-T323 HydrophobicContact CZ-CG2 3.93Å; R291-T323 PolarHBondContact NE-OG1 2.81Å; R291-T323 PolarHBondContact NH2-OG1 3.25Å; I295-T323 HydrophobicContact CD1-CG2 4.33Å; I295-T323 HydrophobicContact CG1-CG2 3.99Å; I321-T323 HydrophobicContact CG2-CG2 4.38Å
324W91.8Very high90.3Very high0 Ų025.7 Ų25.70%014%0.144CC..EExtended strand (participates in β ladder)trans-100.599.8-173.4-66.1-6.4000112.7Y146 I277 V278 D279 K280 E322 K326 N327 Q328 A329 I331 F344 Y347 L362Y146-W324 AromaticContact CD2-CD1 3.81Å; I277-W324 HydrophobicContact CG2-CD2 4.23Å; I277-W324 HydrophobicContact CG2-CH2 4.18Å; I277-W324 HydrophobicContact CG2-CZ2 3.61Å; V278-W324 PolarHBondContact O-N 3.09Å; D279-W324 HydrophobicContact CB-CE3 4.01Å; K280-W324 WeakPolarHBondContact CA-O 3.47Å; K280-W324 WeakPolarHBondContact CB-O 3.34Å; K280-W324 PolarHBondContact N-O 3.21Å; E322-W324 PolarHBondContact OE1-NE1 3.4Å; W324-K326 PolarHBondContact O-N 3.3Å; W324-N327 HydrophobicContact CE3-CB 3.84Å; W324-N327 HydrophobicContact CZ3-CB 4.25Å; W324-Q328 HydrophobicContact CD2-CB 4.34Å; W324-Q328 HydrophobicContact CD2-CG 4.28Å; W324-Q328 HydrophobicContact CG-CG 4.28Å; W324-Q328 HydrophobicContact CH2-CB 4.44Å; W324-Q328 HydrophobicContact CZ2-CB 3.84Å; W324-Q328 HydrophobicContact CZ2-CG 4.41Å; W324-A329 HydrophobicContact CH2-CB 3.64Å; W324-A329 HydrophobicContact CZ3-CB 4.14Å; W324-I331 HydrophobicContact CZ3-CG1 4Å; W324-F344 HydrophobicContact CH2-CD2 4.3Å; W324-F344 HydrophobicContact CH2-CE2 4.44Å; W324-Y347 HydrophobicContact CH2-CD1 4.48Å; W324-Y347 AromaticContact CZ2-CD1 3.91Å; W324-Y347 HydrophobicContact CZ2-CD1 3.91Å; W324-Y347 AromaticContact CZ2-CE1 3.66Å; W324-Y347 HydrophobicContact CZ2-CE1 3.66Å; W324-L362 HydrophobicContact CH2-CD1 4.45Å; W324-L362 HydrophobicContact CZ3-CD1 4.29Å
325G85.2Confident90Very high12 Ų1230.4 Ų30.412%0.12416%0.164CC..SBendtrans-68.3-20.9162.300000112.8Y146Y146-G325 VanDerWaalsContact O-CA 3.3Å; Y146-G325 WeakPolarHBondContact O-CA 3.38Å; Y146-G325 PolarHBondContact O-N 2.78Å
326K86.4Confident89.6Confident113 Ų11332.8 Ų32.849%0.49118%0.18SC..SBendtrans-137.4128.3164.1179.3-175.4176.3-171.90108.1W324 Q328W324-K326 PolarHBondContact O-N 3.3Å; K326-Q328 PolarHBondContact O-N 3.22Å; K326-Q328 PolarHBondContact O-NE2 3.15Å
327N89Confident89.4Confident39 Ų3932.8 Ų32.821%0.20918%0.18CC..  trans-57.6131.7-179.4-71-4000111.3K280 W324 A329K280-N327 WeakPolarHBondContact CB-OD1 3.29Å; K280-N327 PolarHBondContact N-OD1 2.92Å; W324-N327 HydrophobicContact CE3-CB 3.84Å; W324-N327 HydrophobicContact CZ3-CB 4.25Å; N327-A329 WeakPolarHBondContact CB-O 3.44Å
328Q89.4Confident89.3Confident64 Ų6434.9 Ų34.930%0.29919%0.194SC..SBendtrans-90.4-35178.8-57.7-59.5-59.700111.8Y146 W324 K326 Y347Y146-Q328 VanDerWaalsContact CD1-CD 3.45Å; Y146-Q328 HydrophobicContact CD1-CG 4.07Å; Y146-Q328 HydrophobicContact CD2-CG 3.84Å; Y146-Q328 HydrophobicContact CE1-CG 4.23Å; Y146-Q328 HydrophobicContact CE2-CG 4.01Å; Y146-Q328 HydrophobicContact CG-CG 3.86Å; W324-Q328 HydrophobicContact CD2-CB 4.34Å; W324-Q328 HydrophobicContact CD2-CG 4.28Å; W324-Q328 HydrophobicContact CG-CG 4.28Å; W324-Q328 HydrophobicContact CH2-CB 4.44Å; W324-Q328 HydrophobicContact CZ2-CB 3.84Å; W324-Q328 HydrophobicContact CZ2-CG 4.41Å; K326-Q328 PolarHBondContact O-N 3.22Å; K326-Q328 PolarHBondContact O-NE2 3.15Å; Q328-Y347 HydrophobicContact CB-CD2 3.99Å; Q328-Y347 HydrophobicContact CB-CE2 3.4Å; Q328-Y347 VanDerWaalsContact CB-CE2 3.4Å; Q328-Y347 HydrophobicContact CG-CE2 4.21Å
329A89.6Confident89.2Confident9 Ų939.4 Ų39.47%0.07421%0.214CC..SBendtrans-94.2154.9165.400000111.1W324 N327 I331 Y347W324-A329 HydrophobicContact CH2-CB 3.64Å; W324-A329 HydrophobicContact CZ3-CB 4.14Å; N327-A329 WeakPolarHBondContact CB-O 3.44Å; A329-I331 HydrophobicContact CB-CD1 4.23Å; A329-I331 PolarHBondContact O-N 3.12Å; A329-Y347 HydrophobicContact CB-CG 4.46Å
330V90.8Very high89.3Confident95 Ų9539.1 Ų39.158%0.57621%0.213SC*.  trans-77.988.4173.2-178.40000109.6D332 N343V330-D332 HydrophobicContact CG1-CB 4.49Å; V330-N343 PolarHBondContact O-ND2 2.03Å
331I89.9Confident89.4Confident12 Ų1239.7 Ų39.76%0.06222%0.216CC..  trans-94.4127.3165.9-46.8-57.4000107.1W324 A329 A340 F344 L362 E366 F368W324-I331 HydrophobicContact CZ3-CG1 4Å; A329-I331 HydrophobicContact CB-CD1 4.23Å; A329-I331 PolarHBondContact O-N 3.12Å; I331-A340 HydrophobicContact CD1-CB 4.24Å; I331-F344 HydrophobicContact CD1-CB 4.41Å; I331-L362 HydrophobicContact CD1-CD2 3.6Å; I331-L362 HydrophobicContact CG1-CD2 3.93Å; I331-E366 HydrophobicContact CG2-CG 4.27Å; I331-F368 HydrophobicContact CG2-CE1 4.39Å; I331-F368 HydrophobicContact CG2-CZ 3.99Å
332D87.3Confident89.4Confident46 Ų4640.8 Ų40.825%0.24622%0.223CC..  trans-151.4106.6-168.9177.7-8.3000109.7V330 S334 K335V330-D332 HydrophobicContact CG1-CB 4.49Å; D332-S334 VanDerWaalsContact CG-OG 3.27Å; D332-S334 PolarHBondContact O-N 3.14Å; D332-S334 VanDerWaalsContact O-N 3.16Å; D332-S334 VanDerWaalsContact OD1-CB 3.29Å; D332-S334 WeakPolarHBondContact OD1-CB 3.08Å; D332-S334 PolarHBondContact OD1-N 3.29Å; D332-S334 PolarHBondContact OD1-OG 3.29Å; D332-S334 PolarHBondContact OD2-OG 3.1Å; D332-K335 HydrophobicContact CB-CD 4.49Å; D332-K335 PolarHBondContact O-N 3.1Å; D332-K335 VanDerWaalsContact O-N 3.13Å; D332-K335 IonicContact OD2-NZ 3.66Å; D332-K335 PolarHBondContact OD2-NZ 2.72Å
333G85.3Confident89.4Confident10 Ų1042.2 Ų42.210%0.10323%0.231CC..THydrogen-bonded Turntrans-63.1-15.9-178.800000114.9K335 F368 A369G333-K335 PolarHBondContact O-N 3.37Å; G333-F368 CarbonylContact O-C 3.46Å; G333-F368 WeakPolarHBondContact O-CA 3.46Å; G333-A369 PolarHBondContact O-N 3.2Å; G333-A369 VanDerWaalsContact O-N 3.12Å
334S85.2Confident89.5Confident87 Ų8742.2 Ų42.261%0.60823%0.231SC*.THydrogen-bonded Turntrans-73.7-8.3174.773.80000113.8D332D332-S334 VanDerWaalsContact CG-OG 3.27Å; D332-S334 PolarHBondContact O-N 3.14Å; D332-S334 VanDerWaalsContact O-N 3.16Å; D332-S334 VanDerWaalsContact OD1-CB 3.29Å; D332-S334 WeakPolarHBondContact OD1-CB 3.08Å; D332-S334 PolarHBondContact OD1-N 3.29Å; D332-S334 PolarHBondContact OD1-OG 3.29Å; D332-S334 PolarHBondContact OD2-OG 3.1Å
335K84.8Confident89.6Confident100 Ų10043.7 Ų43.744%0.43524%0.239SC..SBendtrans-113.2167.8-177.8-66-179.4176.559.40111.7D332 G333D332-K335 HydrophobicContact CB-CD 4.49Å; D332-K335 PolarHBondContact O-N 3.1Å; D332-K335 VanDerWaalsContact O-N 3.13Å; D332-K335 IonicContact OD2-NZ 3.66Å; D332-K335 PolarHBondContact OD2-NZ 2.72Å; G333-K335 PolarHBondContact O-N 3.37Å
336D86.5Confident90Very high87 Ų8746.5 Ų46.547%0.46525%0.251SS..  trans-61.3134168.6-173.1-38000110.6S338 K339D336-S338 PolarHBondContact O-N 2.87Å; D336-S338 VanDerWaalsContact O-N 3.15Å; D336-S338 WeakPolarHBondContact OD1-CA 3.32Å; D336-S338 WeakPolarHBondContact OD1-CB 3.31Å; D336-S338 PolarHBondContact OD1-N 2.61Å; D336-S338 PolarHBondContact OD1-OG 3.5Å; D336-K339 PolarHBondContact O-N 2.88Å
337I90.9Very high90.3Very high0 Ų041.8 Ų41.80%023%0.23CC..Hα-helixtrans-56.8-26.8177.5-169.1169.3000112.5A225 K339 A340 I341 F368 E372 M375 I389A225-I337 HydrophobicContact CB-CG2 3.52Å; I337-K339 PolarHBondContact O-N 2.82Å; I337-A340 WeakPolarHBondContact O-CB 3.45Å; I337-A340 PolarHBondContact O-N 3.17Å; I337-I341 PolarHBondContact O-N 3.08Å; I337-F368 HydrophobicContact CB-CB 4.39Å; I337-F368 HydrophobicContact CB-CD1 4.2Å; I337-F368 HydrophobicContact CB-CD2 3.99Å; I337-F368 HydrophobicContact CB-CE2 4.35Å; I337-F368 HydrophobicContact CB-CG 3.92Å; I337-F368 HydrophobicContact CD1-CD2 3.73Å; I337-F368 HydrophobicContact CD1-CE2 3.77Å; I337-F368 HydrophobicContact CG1-CD2 3.87Å; I337-F368 HydrophobicContact CG1-CE2 3.8Å; I337-F368 HydrophobicContact CG1-CG 4.28Å; I337-F368 HydrophobicContact CG1-CZ 4.16Å; I337-E372 HydrophobicContact CD1-CB 4.47Å; I337-E372 HydrophobicContact CG2-CB 4.32Å; I337-E372 HydrophobicContact CG2-CG 4.06Å; I337-M375 HydrophobicContact CD1-CB 3.85Å; I337-M375 HydrophobicContact CG1-CB 3.96Å; I337-M375 HydrophobicContact CG2-CB 4.19Å; I337-M375 HydrophobicContact CG2-CE 4.25Å; I337-M375 HydrophobicContact CG2-SD 4.2Å; I337-I389 HydrophobicContact CD1-CB 4.41Å; I337-I389 HydrophobicContact CD1-CG2 4.2Å
338S90.3Very high90.5Very high44 Ų4440 Ų4031%0.30822%0.22SC..Hα-helixtrans-54.7-33.3171.1-51.40000112.9D336 I341 S342 M375D336-S338 PolarHBondContact O-N 2.87Å; D336-S338 VanDerWaalsContact O-N 3.15Å; D336-S338 WeakPolarHBondContact OD1-CA 3.32Å; D336-S338 WeakPolarHBondContact OD1-CB 3.31Å; D336-S338 PolarHBondContact OD1-N 2.61Å; D336-S338 PolarHBondContact OD1-OG 3.5Å; S338-I341 WeakPolarHBondContact O-CG2 3.42Å; S338-S342 PolarHBondContact O-N 3.3Å; S338-M375 VanDerWaalsContact OG-CE 3.29Å; S338-M375 WeakPolarHBondContact OG-CE 3.49Å
339K90.8Very high90.4Very high96 Ų9639.3 Ų39.342%0.41722%0.223SC..Hα-helixtrans-83.2-32.3175.7-169.148.5178.21430112.2D336 I337 S342 N343D336-K339 PolarHBondContact O-N 2.88Å; I337-K339 PolarHBondContact O-N 2.82Å; K339-S342 PolarHBondContact NZ-OG 2.87Å; K339-S342 PolarHBondContact O-N 3.38Å; K339-N343 WeakPolarHBondContact CE-OD1 3.26Å; K339-N343 PolarHBondContact NZ-OD1 3.45Å; K339-N343 PolarHBondContact O-N 2.87Å; K339-N343 PolarHBondContact O-ND2 2.91Å; K339-N343 PolarHBondContact O-OD1 2.03Å
340A92.8Very high90.4Very high4 Ų446.7 Ų46.73%0.03325%0.249CC..Hα-helixtrans-62.8-46.4173.500000111.5I331 I337 S342 N343 F344 F368 I389I331-A340 HydrophobicContact CD1-CB 4.24Å; I337-A340 WeakPolarHBondContact O-CB 3.45Å; I337-A340 PolarHBondContact O-N 3.17Å; A340-S342 PolarHBondContact O-N 3.24Å; A340-N343 PolarHBondContact O-N 2.9Å; A340-F344 WeakPolarHBondContact O-CB 3.17Å; A340-F344 PolarHBondContact O-N 3.26Å; A340-F368 HydrophobicContact CB-CE1 3.66Å; A340-F368 HydrophobicContact CB-CZ 3.79Å; A340-I389 HydrophobicContact CB-CD1 3.82Å
341I93.7Very high90.3Very high13 Ų1345.5 Ų45.57%0.06724%0.239CC..Hα-helixtrans-66.6-35.6178.5-162.2172000112.5I337 S338 F344 N345 M375 V377 V387 I389I337-I341 PolarHBondContact O-N 3.08Å; S338-I341 WeakPolarHBondContact O-CG2 3.42Å; I341-F344 PolarHBondContact O-N 3.43Å; I341-N345 WeakPolarHBondContact O-CB 3.35Å; I341-N345 PolarHBondContact O-N 2.82Å; I341-M375 HydrophobicContact CB-SD 4.48Å; I341-M375 HydrophobicContact CD1-CB 4.33Å; I341-M375 HydrophobicContact CD1-CG 4.16Å; I341-M375 HydrophobicContact CG2-CG 4.48Å; I341-M375 HydrophobicContact CG2-SD 3.61Å; I341-V377 HydrophobicContact CD1-CG2 3.9Å; I341-V377 HydrophobicContact CG1-CG2 4.4Å; I341-V387 HydrophobicContact CD1-CG2 4.14Å; I341-V387 HydrophobicContact CG1-CG2 3.79Å; I341-I389 HydrophobicContact CB-CD1 3.9Å; I341-I389 HydrophobicContact CB-CG1 4.34Å; I341-I389 HydrophobicContact CG1-CD1 4.44Å; I341-I389 HydrophobicContact CG1-CG1 4.38Å
342S92.5Very high90.2Very high23 Ų2345 Ų4516%0.16124%0.237CC..Hα-helixtrans-60.2-491711590000111.4S338 K339 A340 F344 N345 D346S338-S342 PolarHBondContact O-N 3.3Å; K339-S342 PolarHBondContact NZ-OG 2.87Å; K339-S342 PolarHBondContact O-N 3.38Å; A340-S342 PolarHBondContact O-N 3.24Å; S342-F344 VanDerWaalsContact C-N 3.28Å; S342-F344 PolarHBondContact O-N 3.14Å; S342-N345 PolarHBondContact O-N 2.72Å; S342-D346 PolarHBondContact O-N 2.03Å
343N93.3Very high90Very high32 Ų3249.1 Ų49.117%0.17125%0.253CS..Hα-helixtrans-65.5-32.6178.7-63.2-17.8000112.2V330 K339 A340 Y347V330-N343 PolarHBondContact O-ND2 2.03Å; K339-N343 WeakPolarHBondContact CE-OD1 3.26Å; K339-N343 PolarHBondContact NZ-OD1 3.45Å; K339-N343 PolarHBondContact O-N 2.87Å; K339-N343 PolarHBondContact O-ND2 2.91Å; K339-N343 PolarHBondContact O-OD1 2.03Å; A340-N343 PolarHBondContact O-N 2.9Å; N343-Y347 PolarHBondContact O-N 2.01Å
344F94.6Very high89.9Confident0 Ų055.9 Ų55.90%028%0.282CS..Hα-helixtrans-72.4-45.3177.5-176.1-123000111.9I277 W324 I331 A340 I341 S342 D346 Y347 T348 T360 L362 V387 I389I277-F344 HydrophobicContact CB-CE2 4.1Å; I277-F344 HydrophobicContact CB-CZ 4.15Å; I277-F344 HydrophobicContact CG1-CE2 3.89Å; I277-F344 HydrophobicContact CG1-CZ 3.75Å; I277-F344 HydrophobicContact CG2-CE2 4.2Å; W324-F344 HydrophobicContact CH2-CD2 4.3Å; W324-F344 HydrophobicContact CH2-CE2 4.44Å; I331-F344 HydrophobicContact CD1-CB 4.41Å; A340-F344 WeakPolarHBondContact O-CB 3.17Å; A340-F344 PolarHBondContact O-N 3.26Å; I341-F344 PolarHBondContact O-N 3.43Å; S342-F344 VanDerWaalsContact C-N 3.28Å; S342-F344 PolarHBondContact O-N 3.14Å; F344-D346 VanDerWaalsContact C-N 3.29Å; F344-D346 PolarHBondContact O-N 2.84Å; F344-Y347 CarbonylContact O-C 3.59Å; F344-Y347 WeakPolarHBondContact O-CA 3.02Å; F344-Y347 WeakPolarHBondContact O-CB 3.47Å; F344-Y347 PolarHBondContact O-N 3.2Å; F344-T348 HydrophobicContact CD1-CG2 4.37Å; F344-T348 HydrophobicContact CD2-CG2 4.35Å; F344-T348 HydrophobicContact CE1-CG2 4.04Å; F344-T348 HydrophobicContact CE2-CG2 4.02Å; F344-T348 HydrophobicContact CZ-CG2 3.86Å; F344-T348 WeakPolarHBondContact O-CG2 3.07Å; F344-T348 PolarHBondContact O-N 2.94Å; F344-T360 HydrophobicContact CE1-CG2 4.33Å; F344-T360 HydrophobicContact CZ-CG2 3.82Å; F344-L362 HydrophobicContact CD1-CB 4.2Å; F344-L362 HydrophobicContact CD2-CB 4.41Å; F344-L362 HydrophobicContact CD2-CD1 4.44Å; F344-L362 HydrophobicContact CD2-CD2 4.24Å; F344-L362 HydrophobicContact CE1-CB 3.76Å; F344-L362 HydrophobicContact CE2-CB 4.01Å; F344-L362 HydrophobicContact CE2-CD1 4.03Å; F344-L362 HydrophobicContact CE2-CG 4.42Å; F344-L362 HydrophobicContact CG-CD2 4.36Å; F344-L362 HydrophobicContact CZ-CB 3.66Å; F344-L362 HydrophobicContact CZ-CD1 4.44Å; F344-V387 HydrophobicContact CD1-CB 3.95Å; F344-V387 HydrophobicContact CD1-CG1 4.3Å; F344-V387 HydrophobicContact CD1-CG2 4.42Å; F344-V387 HydrophobicContact CE1-CB 3.99Å; F344-V387 HydrophobicContact CE1-CG1 4.23Å; F344-I389 HydrophobicContact CD1-CG1 4.43Å
345N93.4Very high89.8Confident31 Ų3152.2 Ų52.217%0.16626%0.255CS..Hα-helixtrans-60.9-37174-174.141.9000112.6I341 S342 Y347 T348 S349 V387I341-N345 WeakPolarHBondContact O-CB 3.35Å; I341-N345 PolarHBondContact O-N 2.82Å; S342-N345 PolarHBondContact O-N 2.72Å; N345-Y347 VanDerWaalsContact C-N 3.26Å; N345-Y347 PolarHBondContact O-N 3.31Å; N345-T348 WeakPolarHBondContact CA-OG1 3.49Å; N345-T348 PolarHBondContact O-OG1 3.21Å; N345-T348 VanDerWaalsContact O-OG1 3.14Å; N345-S349 VanDerWaalsContact O-CB 3.26Å; N345-S349 WeakPolarHBondContact O-CB 3.03Å; N345-S349 PolarHBondContact O-N 3Å; N345-S349 VanDerWaalsContact O-N 3.1Å; N345-S349 PolarHBondContact O-OG 3.09Å; N345-V387 HydrophobicContact CB-CG2 4.07Å
346D92.9Very high89.9Confident71 Ų7151.9 Ų51.938%0.3826%0.255SS..Hα-helixtrans-61.4-33.7171.1-95.8-50.2000112.3S342 F344 R350S342-D346 PolarHBondContact O-N 2.03Å; F344-D346 VanDerWaalsContact C-N 3.29Å; F344-D346 PolarHBondContact O-N 2.84Å; D346-R350 WeakPolarHBondContact O-CD 3.26Å; D346-R350 WeakPolarHBondContact O-CG 3.47Å; D346-R350 PolarHBondContact O-NE 2.93Å; D346-R350 VanDerWaalsContact O-NE 3.12Å; D346-R350 IonicContact OD1-CZ 3.66Å; D346-R350 IonicContact OD1-NE 3.66Å; D346-R350 IonicContact OD1-NH2 2.78Å; D346-R350 PolarHBondContact OD1-NH2 3.16Å
347Y93.5Very high90.1Very high15 Ų1549.6 Ų49.66%0.05924%0.24CC..Hα-helixtrans-77.2-50.5176.1176.1-98.2000112.1E322 W324 Q328 A329 N343 F344 N345 S349 R350 N351E322-Y347 WeakPolarHBondContact OE1-CE1 3.44Å; E322-Y347 PolarHBondContact OE1-OH 2.93Å; W324-Y347 HydrophobicContact CH2-CD1 4.48Å; W324-Y347 AromaticContact CZ2-CD1 3.91Å; W324-Y347 HydrophobicContact CZ2-CD1 3.91Å; W324-Y347 AromaticContact CZ2-CE1 3.66Å; W324-Y347 HydrophobicContact CZ2-CE1 3.66Å; Q328-Y347 HydrophobicContact CB-CD2 3.99Å; Q328-Y347 HydrophobicContact CB-CE2 3.4Å; Q328-Y347 VanDerWaalsContact CB-CE2 3.4Å; Q328-Y347 HydrophobicContact CG-CE2 4.21Å; A329-Y347 HydrophobicContact CB-CG 4.46Å; N343-Y347 PolarHBondContact O-N 2.01Å; F344-Y347 CarbonylContact O-C 3.59Å; F344-Y347 WeakPolarHBondContact O-CA 3.02Å; F344-Y347 WeakPolarHBondContact O-CB 3.47Å; F344-Y347 PolarHBondContact O-N 3.2Å; N345-Y347 VanDerWaalsContact C-N 3.26Å; N345-Y347 PolarHBondContact O-N 3.31Å; Y347-S349 VanDerWaalsContact C-N 3.26Å; Y347-S349 PolarHBondContact O-N 3Å; Y347-R350 PolarHBondContact O-N 3.04Å; Y347-N351 HydrophobicContact CD1-CB 4.49Å; Y347-N351 HydrophobicContact CD2-CB 4Å; Y347-N351 HydrophobicContact CE1-CB 4.12Å; Y347-N351 HydrophobicContact CE2-CB 3.58Å; Y347-N351 VanDerWaalsContact CE2-ND2 3.32Å; Y347-N351 WeakPolarHBondContact CE2-ND2 3.15Å; Y347-N351 HydrophobicContact CG-CB 4.44Å; Y347-N351 WeakPolarHBondContact O-CB 3.09Å; Y347-N351 PolarHBondContact O-N 3.07Å
348T92.7Very high90.2Very high0 Ų050 Ų500%024%0.242CC..Hα-helixtrans-57.8-41.3-179.560.20000111.4F344 N345 R350 L352 T360 V387F344-T348 HydrophobicContact CD1-CG2 4.37Å; F344-T348 HydrophobicContact CD2-CG2 4.35Å; F344-T348 HydrophobicContact CE1-CG2 4.04Å; F344-T348 HydrophobicContact CE2-CG2 4.02Å; F344-T348 HydrophobicContact CZ-CG2 3.86Å; F344-T348 WeakPolarHBondContact O-CG2 3.07Å; F344-T348 PolarHBondContact O-N 2.94Å; N345-T348 WeakPolarHBondContact CA-OG1 3.49Å; N345-T348 PolarHBondContact O-OG1 3.21Å; N345-T348 VanDerWaalsContact O-OG1 3.14Å; T348-R350 PolarHBondContact O-N 2.95Å; T348-L352 HydrophobicContact CG2-CD1 4.02Å; T348-L352 WeakPolarHBondContact O-CB 3.19Å; T348-L352 PolarHBondContact O-N 2.78Å; T348-L352 VanDerWaalsContact O-N 3.12Å; T348-T360 HydrophobicContact CG2-CG2 3.83Å; T348-V387 HydrophobicContact CG2-CG1 3.86Å
349S88.7Confident90.4Very high50 Ų5047.9 Ų47.935%0.3523%0.228SC..Hα-helixtrans-63.9-23.6177.8-60.30000114.2N345 Y347N345-S349 VanDerWaalsContact O-CB 3.26Å; N345-S349 WeakPolarHBondContact O-CB 3.03Å; N345-S349 PolarHBondContact O-N 3Å; N345-S349 VanDerWaalsContact O-N 3.1Å; N345-S349 PolarHBondContact O-OG 3.09Å; Y347-S349 VanDerWaalsContact C-N 3.26Å; Y347-S349 PolarHBondContact O-N 3Å
350R89.1Confident90.7Very high165 Ų16543.4 Ų43.462%0.62321%0.208SC*.Hα-helixtrans-106.4-31.3-175.5-65.4174.3-154.7-1434.2113.8D346 Y347 T348 F353D346-R350 WeakPolarHBondContact O-CD 3.26Å; D346-R350 WeakPolarHBondContact O-CG 3.47Å; D346-R350 PolarHBondContact O-NE 2.93Å; D346-R350 VanDerWaalsContact O-NE 3.12Å; D346-R350 IonicContact OD1-CZ 3.66Å; D346-R350 IonicContact OD1-NE 3.66Å; D346-R350 IonicContact OD1-NH2 2.78Å; D346-R350 PolarHBondContact OD1-NH2 3.16Å; Y347-R350 PolarHBondContact O-N 3.04Å; T348-R350 PolarHBondContact O-N 2.95Å; R350-F353 VanDerWaalsContact O-CD1 3.31Å; R350-F353 WeakPolarHBondContact O-CD1 3.44Å; R350-F353 WeakPolarHBondContact O-CE1 3.18Å
351N87.8Confident90.9Very high70 Ų7043.2 Ų43.237%0.37421%0.207SC..Hα-helixtrans-111.5-19.6-169.6-72.263000113.5Y347Y347-N351 HydrophobicContact CD1-CB 4.49Å; Y347-N351 HydrophobicContact CD2-CB 4Å; Y347-N351 HydrophobicContact CE1-CB 4.12Å; Y347-N351 HydrophobicContact CE2-CB 3.58Å; Y347-N351 VanDerWaalsContact CE2-ND2 3.32Å; Y347-N351 WeakPolarHBondContact CE2-ND2 3.15Å; Y347-N351 HydrophobicContact CG-CB 4.44Å; Y347-N351 WeakPolarHBondContact O-CB 3.09Å; Y347-N351 PolarHBondContact O-N 3.07Å
352L87.9Confident91.1Very high2 Ų242.6 Ų42.61%0.0120%0.203CC..SBendtrans-116.714.6-176.5-55.1177.3000113I277 Y320 T348 Q354 I355 R357 T360I277-L352 HydrophobicContact CD1-CD1 3.87Å; Y320-L352 HydrophobicContact CD1-CD2 4.3Å; Y320-L352 HydrophobicContact CE1-CD2 3.47Å; Y320-L352 VanDerWaalsContact CE1-CD2 3.47Å; T348-L352 HydrophobicContact CG2-CD1 4.02Å; T348-L352 WeakPolarHBondContact O-CB 3.19Å; T348-L352 PolarHBondContact O-N 2.78Å; T348-L352 VanDerWaalsContact O-N 3.12Å; L352-Q354 VanDerWaalsContact C-N 3.28Å; L352-Q354 PolarHBondContact O-N 2.92Å; L352-I355 HydrophobicContact CD2-CD1 4Å; L352-I355 PolarHBondContact O-N 2.7Å; L352-R357 VanDerWaalsContact O-CZ 3.26Å; L352-R357 PolarHBondContact O-NH1 2.9Å; L352-R357 PolarHBondContact O-NH2 2.79Å; L352-T360 HydrophobicContact CD1-CG2 3.94Å
353F83.5Confident91.3Very high132 Ų13241.5 Ų41.558%0.57920%0.196SC*.THydrogen-bonded Turntrans-65.1-27.8-177.672-84.8000114R350 I355R350-F353 VanDerWaalsContact O-CD1 3.31Å; R350-F353 WeakPolarHBondContact O-CD1 3.44Å; R350-F353 WeakPolarHBondContact O-CE1 3.18Å; F353-I355 VanDerWaalsContact C-N 3.33Å
354Q82.9Confident91.4Very high152 Ų15240 Ų4071%0.7119%0.188SC*.THydrogen-bonded Turntrans-85.21.1178.7-59.1-179.3-20.400114.1L352L352-Q354 VanDerWaalsContact C-N 3.28Å; L352-Q354 PolarHBondContact O-N 2.92Å
355I84.2Confident91.2Very high10 Ų1040.4 Ų40.45%0.05119%0.192CC..SBendtrans-110.5137.8-176.1-53.7-170.1000107.8Y320 L352 F353 R357Y320-I355 HydrophobicContact CD1-CD1 4.19Å; Y320-I355 HydrophobicContact CD2-CD1 3.62Å; Y320-I355 HydrophobicContact CD2-CG2 4.3Å; Y320-I355 HydrophobicContact CE1-CD1 3.93Å; Y320-I355 HydrophobicContact CE2-CD1 3.33Å; Y320-I355 HydrophobicContact CG-CD1 4.02Å; Y320-I355 HydrophobicContact CG-CG2 4.15Å; Y320-I355 VanDerWaalsContact CZ-CD1 3.48Å; L352-I355 HydrophobicContact CD2-CD1 4Å; L352-I355 PolarHBondContact O-N 2.7Å; F353-I355 VanDerWaalsContact C-N 3.33Å; I355-R357 WeakPolarHBondContact O-CD 3.35Å; I355-R357 PolarHBondContact O-NH1 3.05Å
356E86.1Confident91.2Very high93 Ų9341.8 Ų41.844%0.43520%0.197SC..  trans-94.5132.9-176.1-45.7-153.6144.800108.6V319 R480V319-E356 WeakPolarHBondContact CG2-O 3.47Å; E356-R480 IonicContact OE1-CZ 2.76Å; E356-R480 VanDerWaalsContact OE1-CZ 3.27Å; E356-R480 IonicContact OE1-NH1 3.04Å; E356-R480 PolarHBondContact OE1-NH1 3.14Å; E356-R480 IonicContact OE1-NH2 3.25Å; E356-R480 PolarHBondContact OE1-NH2 2.99Å; E356-R480 IonicContact OE2-CZ 2.78Å; E356-R480 IonicContact OE2-NH1 3.35Å; E356-R480 IonicContact OE2-NH2 2.91Å; E356-R480 PolarHBondContact OE2-NH2 3Å
357R89.8Confident91Very high38 Ų3842.6 Ų42.614%0.14321%0.205CC..  trans-176.3147.7-16972.6-61179.5-157.7-4.9111.1A275 V319 L352 I355A275-R357 HydrophobicContact CB-CB 4.19Å; A275-R357 HydrophobicContact CB-CG 4.18Å; V319-R357 HydrophobicContact CG2-CB 4.15Å; L352-R357 VanDerWaalsContact O-CZ 3.26Å; L352-R357 PolarHBondContact O-NH1 2.9Å; L352-R357 PolarHBondContact O-NH2 2.79Å; I355-R357 WeakPolarHBondContact O-CD 3.35Å; I355-R357 PolarHBondContact O-NH1 3.05Å
358D93.5Very high90.8Very high8 Ų842.2 Ų42.24%0.04320%0.203CC..SBendtrans-90.9-26.9174.6-53.9-38.2000112.7I272 E273 V381 C382 A386 C468 L469I272-D358 WeakPolarHBondContact CA-OD2 3.13Å; I272-D358 HydrophobicContact CG2-CB 4.41Å; E273-D358 WeakPolarHBondContact CB-OD2 3.09Å; E273-D358 PolarHBondContact N-OD2 3.27Å; E273-D358 PolarHBondContact O-N 3.27Å; D358-V381 HydrophobicContact CB-CG2 4.09Å; D358-C382 PolarHBondContact O-N 2.91Å; D358-A386 WeakPolarHBondContact O-CB 3.39Å; D358-C468 VanDerWaalsContact CG-SG 3.6Å; D358-C468 VanDerWaalsContact OD1-CB 3.27Å; D358-C468 WeakPolarHBondContact OD1-CB 3.46Å; D358-C468 PolarHBondContact OD1-SG 3.44Å; D358-L469 HydrophobicContact CB-CD2 3.91Å; D358-L469 WeakPolarHBondContact OD2-CD2 3.44Å
359T95.2Very high90.4Very high1 Ų146 Ų461%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-153.5152.7179.7-174.80000112.5I272 E273 T274 A275 Q361 A386 I409 N412I272-T359 HydrophobicContact CG2-CG2 3.63Å; E273-T359 PolarHBondContact O-N 2.87Å; T274-T359 WeakPolarHBondContact CA-O 3.22Å; T274-T359 HydrophobicContact CG2-CG2 4.19Å; A275-T359 PolarHBondContact N-O 3.09Å; T359-Q361 PolarHBondContact OG1-NE2 2.62Å; T359-A386 CarbonylContact C-O 3.59Å; T359-A386 WeakPolarHBondContact CA-O 3.47Å; T359-I409 HydrophobicContact CG2-CG1 4.33Å; T359-N412 PolarHBondContact OG1-OD1 3.39Å
360T96.8Very high89.8Confident2 Ų246.6 Ų46.61%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-124117176.6-46.60000110.7A275 I277 F344 T348 L352 A386 V387 G388A275-T360 HydrophobicContact CB-CG2 3.91Å; A275-T360 CarbonylContact O-C 3.55Å; A275-T360 VanDerWaalsContact O-CA 3.32Å; A275-T360 WeakPolarHBondContact O-CA 3.3Å; I277-T360 HydrophobicContact CD1-CG2 4.21Å; I277-T360 HydrophobicContact CG1-CG2 3.75Å; F344-T360 HydrophobicContact CE1-CG2 4.33Å; F344-T360 HydrophobicContact CZ-CG2 3.82Å; T348-T360 HydrophobicContact CG2-CG2 3.83Å; L352-T360 HydrophobicContact CD1-CG2 3.94Å; T360-A386 PolarHBondContact N-O 2.89Å; T360-V387 VanDerWaalsContact O-CA 3.29Å; T360-V387 WeakPolarHBondContact O-CA 3.35Å; T360-G388 PolarHBondContact O-N 3.47Å; T360-G388 VanDerWaalsContact O-N 3.07Å
361Q97.6Very high89.6Confident0 Ų040.1 Ų40.10%023%0.234CC..EExtended strand (participates in β ladder)trans-109123.5-177-61.4-60.5-4600111.2T274 A275 I277 T359 M405 I409 N412T274-Q361 HydrophobicContact CG2-CB 4.49Å; T274-Q361 HydrophobicContact CG2-CG 4.07Å; A275-Q361 PolarHBondContact O-N 2.83Å; I277-Q361 PolarHBondContact N-O 3.17Å; T359-Q361 PolarHBondContact OG1-NE2 2.62Å; Q361-M405 HydrophobicContact CB-CE 4.29Å; Q361-M405 HydrophobicContact CG-CE 4.14Å; Q361-M405 HydrophobicContact CG-CG 4.31Å; Q361-I409 HydrophobicContact CG-CD1 4.16Å; Q361-I409 HydrophobicContact CG-CG1 3.98Å; Q361-N412 PolarHBondContact NE2-OD1 3.43Å
362L97.3Very high89.5Confident0 Ų038.4 Ų38.40%022%0.223CC..EExtended strand (participates in β ladder)trans-88.5118.2169.8-176.468.1000109.7I277 D279 W324 I331 F344 G388 I389 S390I277-L362 HydrophobicContact CB-CD1 3.9Å; I277-L362 HydrophobicContact CG2-CD1 3.76Å; I277-L362 WeakPolarHBondContact O-CA 3.25Å; D279-L362 HydrophobicContact CB-CD1 4.24Å; W324-L362 HydrophobicContact CH2-CD1 4.45Å; W324-L362 HydrophobicContact CZ3-CD1 4.29Å; I331-L362 HydrophobicContact CD1-CD2 3.6Å; I331-L362 HydrophobicContact CG1-CD2 3.93Å; F344-L362 HydrophobicContact CD1-CB 4.2Å; F344-L362 HydrophobicContact CD2-CB 4.41Å; F344-L362 HydrophobicContact CD2-CD1 4.44Å; F344-L362 HydrophobicContact CD2-CD2 4.24Å; F344-L362 HydrophobicContact CE1-CB 3.76Å; F344-L362 HydrophobicContact CE2-CB 4.01Å; F344-L362 HydrophobicContact CE2-CD1 4.03Å; F344-L362 HydrophobicContact CE2-CG 4.42Å; F344-L362 HydrophobicContact CG-CD2 4.36Å; F344-L362 HydrophobicContact CZ-CB 3.66Å; F344-L362 HydrophobicContact CZ-CD1 4.44Å; L362-G388 PolarHBondContact N-O 3.13Å; L362-I389 HydrophobicContact CB-CG1 4.16Å; L362-I389 HydrophobicContact CD2-CD1 4.01Å; L362-I389 HydrophobicContact CD2-CG1 4.02Å; L362-I389 HydrophobicContact CD2-CG2 4.27Å; L362-S390 PolarHBondContact O-N 3.39Å
363L96.8Very high89.5Confident0 Ų038.3 Ų38.30%022%0.223CC..EExtended strand (participates in β ladder)trans-92.6119.7166-53.5-176.5000107.9I276 I277 D279 M282 A298 V301 L401 M405I276-L363 HydrophobicContact CG2-CD1 3.9Å; I276-L363 HydrophobicContact CG2-CG 4.14Å; I277-L363 PolarHBondContact O-N 2.69Å; D279-L363 PolarHBondContact N-O 3.31Å; M282-L363 HydrophobicContact CE-CB 4.19Å; M282-L363 VanDerWaalsContact CG-O 3.27Å; M282-L363 WeakPolarHBondContact CG-O 3.41Å; A298-L363 HydrophobicContact CB-CD1 3.91Å; V301-L363 HydrophobicContact CG1-CD1 4.39Å; L363-L401 HydrophobicContact CD2-CD1 4.19Å; L363-L401 HydrophobicContact CD2-CD2 4.47Å; L363-L401 HydrophobicContact CD2-CG 4.35Å; L363-M405 HydrophobicContact CD2-SD 4.38Å
364T94.9Very high89.9Confident0 Ų032 Ų320%020%0.195CC..EExtended strand (participates in β ladder)trans-124.1139.3-176.4179.20000113.1D279 M282 E366 F368 I389 S390 V391 D392D279-T364 WeakPolarHBondContact OD1-CA 3.33Å; D279-T364 VanDerWaalsContact OD2-CB 3.31Å; D279-T364 WeakPolarHBondContact OD2-CB 3.48Å; D279-T364 PolarHBondContact OD2-OG1 3.07Å; M282-T364 VanDerWaalsContact SD-C 3.55Å; T364-E366 WeakPolarHBondContact OG1-CB 3.42Å; T364-E366 PolarHBondContact OG1-N 3.35Å; T364-E366 VanDerWaalsContact OG1-N 3.14Å; T364-F368 HydrophobicContact CG2-CE2 4.13Å; T364-I389 HydrophobicContact CG2-CG2 3.72Å; T364-S390 PolarHBondContact N-O 3.04Å; T364-V391 HydrophobicContact CG2-CG2 4.01Å; T364-D392 PolarHBondContact O-N 2.97Å
365G91.9Very high90.4Very high8 Ų825.6 Ų25.68%0.08217%0.165CC..  trans-84.3-10.4172.900000114.1D279 K285D279-G365 PolarHBondContact OD1-N 2.9Å; K285-G365 PolarHBondContact NZ-O 3.05Å
366E91.9Very high91Very high60 Ų6025.2 Ų25.228%0.2816%0.164SC..  trans-61.1164.8-179.2-74.8-63.7155.900112.9A281 I331 T364 V391A281-E366 HydrophobicContact CB-CB 4.49Å; A281-E366 HydrophobicContact CB-CG 3.74Å; I331-E366 HydrophobicContact CG2-CG 4.27Å; T364-E366 WeakPolarHBondContact OG1-CB 3.42Å; T364-E366 PolarHBondContact OG1-N 3.35Å; T364-E366 VanDerWaalsContact OG1-N 3.14Å; E366-V391 VanDerWaalsContact O-CG1 3.24Å; E366-V391 WeakPolarHBondContact O-CG1 3.3Å
367T89.6Confident91.3Very high89 Ų8922.9 Ų22.955%0.54616%0.156SC..  trans-127.3107.8169.154.70000109.6
368F89.8Confident91.4Very high6 Ų623.5 Ų23.53%0.02617%0.165CC..  trans-68.1152.9178.4-63-72.2000112.6I331 G333 I337 A340 T364 G370 G371 E372 I389 V391I331-F368 HydrophobicContact CG2-CE1 4.39Å; I331-F368 HydrophobicContact CG2-CZ 3.99Å; G333-F368 CarbonylContact O-C 3.46Å; G333-F368 WeakPolarHBondContact O-CA 3.46Å; I337-F368 HydrophobicContact CB-CB 4.39Å; I337-F368 HydrophobicContact CB-CD1 4.2Å; I337-F368 HydrophobicContact CB-CD2 3.99Å; I337-F368 HydrophobicContact CB-CE2 4.35Å; I337-F368 HydrophobicContact CB-CG 3.92Å; I337-F368 HydrophobicContact CD1-CD2 3.73Å; I337-F368 HydrophobicContact CD1-CE2 3.77Å; I337-F368 HydrophobicContact CG1-CD2 3.87Å; I337-F368 HydrophobicContact CG1-CE2 3.8Å; I337-F368 HydrophobicContact CG1-CG 4.28Å; I337-F368 HydrophobicContact CG1-CZ 4.16Å; A340-F368 HydrophobicContact CB-CE1 3.66Å; A340-F368 HydrophobicContact CB-CZ 3.79Å; T364-F368 HydrophobicContact CG2-CE2 4.13Å; F368-G370 VanDerWaalsContact C-N 3.3Å; F368-G370 PolarHBondContact O-N 3.4Å; F368-G371 PolarHBondContact O-N 2.84Å; F368-E372 VanDerWaalsContact CB-OE2 3.28Å; F368-E372 WeakPolarHBondContact CB-OE2 3.48Å; F368-I389 HydrophobicContact CE2-CG2 4.17Å; F368-V391 HydrophobicContact CD2-CG2 3.79Å; F368-V391 HydrophobicContact CE2-CG2 3.82Å
369A83.3Confident91.1Very high80 Ų8030 Ų3066%0.66120%0.195SC*.THydrogen-bonded Turntrans-65-25.4-169.600000114.9G333 G371G333-A369 PolarHBondContact O-N 3.2Å; G333-A369 VanDerWaalsContact O-N 3.12Å; A369-G371 VanDerWaalsContact C-N 3.3Å
370G76.8Confident90.9Very high62 Ų6230.9 Ų30.964%0.63920%0.201SC*.THydrogen-bonded Turntrans-83.1-4.3173.300000113.8F368 E372F368-G370 VanDerWaalsContact C-N 3.3Å; F368-G370 PolarHBondContact O-N 3.4Å; G370-E372 VanDerWaalsContact C-N 3.29Å; G370-E372 VanDerWaalsContact CA-CD 3.48Å; G370-E372 WeakPolarHBondContact CA-OE2 3.12Å; G370-E372 PolarHBondContact N-OE2 2.89Å; G370-E372 VanDerWaalsContact N-OE2 3.09Å
371G83.4Confident90.6Very high30 Ų3031.2 Ų31.231%0.30920%0.203SC..  trans77.610.4-178.200000114.5K222 F368 A369K222-G371 WeakPolarHBondContact CD-O 3.37Å; K222-G371 WeakPolarHBondContact CE-O 3.43Å; K222-G371 VanDerWaalsContact CG-O 3.25Å; K222-G371 WeakPolarHBondContact CG-O 3.03Å; K222-G371 PolarHBondContact NZ-O 3.37Å; F368-G371 PolarHBondContact O-N 2.84Å; A369-G371 VanDerWaalsContact C-N 3.3Å
372E86.6Confident90.2Very high33 Ų3333.8 Ų33.815%0.15422%0.22CC..  trans-54.8151.6-173.8-52.492.3150.400112.6K222 A225 I337 F368 G370K222-E372 PolarHBondContact NZ-O 3.26Å; K222-E372 VanDerWaalsContact NZ-O 3.16Å; A225-E372 HydrophobicContact CB-CB 4.3Å; A225-E372 HydrophobicContact CB-CG 3.98Å; I337-E372 HydrophobicContact CD1-CB 4.47Å; I337-E372 HydrophobicContact CG2-CB 4.32Å; I337-E372 HydrophobicContact CG2-CG 4.06Å; F368-E372 VanDerWaalsContact CB-OE2 3.28Å; F368-E372 WeakPolarHBondContact CB-OE2 3.48Å; G370-E372 VanDerWaalsContact C-N 3.29Å; G370-E372 VanDerWaalsContact CA-CD 3.48Å; G370-E372 WeakPolarHBondContact CA-OE2 3.12Å; G370-E372 PolarHBondContact N-OE2 2.89Å; G370-E372 VanDerWaalsContact N-OE2 3.09Å
373A88.3Confident89.7Confident0 Ų036.4 Ų36.40%024%0.236CC..SBendtrans-91-29.9172.400000112.4K222 G223 V391 T404 I438K222-A373 HydrophobicContact CB-CB 3.84Å; G223-A373 PolarHBondContact O-N 2.82Å; A373-V391 VanDerWaalsContact O-CB 3.26Å; A373-V391 WeakPolarHBondContact O-CB 3.38Å; A373-V391 WeakPolarHBondContact O-CG2 3.38Å; A373-V391 PolarHBondContact O-N 3.39Å; A373-T404 HydrophobicContact CB-CG2 4.37Å; A373-T404 VanDerWaalsContact O-CG2 3.24Å; A373-T404 WeakPolarHBondContact O-CG2 3.49Å; A373-I438 HydrophobicContact CB-CD1 3.92Å
374G91.9Very high89.2Confident0 Ų039.8 Ų39.80%026%0.258CS..EExtended strand (participates in β ladder)trans-178.8173.1176.500000113.8A225 I389A225-G374 WeakPolarHBondContact CB-O 3.48Å; A225-G374 PolarHBondContact N-O 3.23Å; G374-I389 CarbonylContact C-O 3.58Å; G374-I389 WeakPolarHBondContact CA-O 3.4Å
375M93.7Very high88.9Confident17 Ų1747.4 Ų47.48%0.08429%0.287CS..EExtended strand (participates in β ladder)trans-148.3144.2174.6-166.5-179-114.200109.6A225 N226 I337 S338 I341 G388 I389 M408A225-M375 HydrophobicContact CB-CB 3.99Å; A225-M375 HydrophobicContact CB-CE 3.6Å; A225-M375 HydrophobicContact CB-CG 4.07Å; A225-M375 HydrophobicContact CB-SD 4.43Å; N226-M375 WeakPolarHBondContact OD1-CG 3.35Å; I337-M375 HydrophobicContact CD1-CB 3.85Å; I337-M375 HydrophobicContact CG1-CB 3.96Å; I337-M375 HydrophobicContact CG2-CB 4.19Å; I337-M375 HydrophobicContact CG2-CE 4.25Å; I337-M375 HydrophobicContact CG2-SD 4.2Å; S338-M375 VanDerWaalsContact OG-CE 3.29Å; S338-M375 WeakPolarHBondContact OG-CE 3.49Å; I341-M375 HydrophobicContact CB-SD 4.48Å; I341-M375 HydrophobicContact CD1-CB 4.33Å; I341-M375 HydrophobicContact CD1-CG 4.16Å; I341-M375 HydrophobicContact CG2-CG 4.48Å; I341-M375 HydrophobicContact CG2-SD 3.61Å; M375-G388 CarbonylContact O-C 3.52Å; M375-G388 WeakPolarHBondContact O-CA 3.47Å; M375-I389 PolarHBondContact N-O 2.62Å; M375-I389 VanDerWaalsContact N-O 3.07Å; M375-I389 PolarHBondContact O-N 3.24Å; M375-M408 PolarHBondContact N-SD 3.23Å
376A95Very high89Confident3 Ų347.1 Ų47.13%0.02528%0.283CS..EExtended strand (participates in β ladder)trans-142.6153177.500000111.7N226 P378 V387 M408 H411N226-A376 PolarHBondContact ND2-O 2.8Å; N226-A376 PolarHBondContact OD1-N 3.49Å; N226-A376 VanDerWaalsContact OD1-N 3.08Å; N226-A376 PolarHBondContact OD1-O 2.02Å; A376-P378 WeakPolarHBondContact O-CD 3.3Å; A376-V387 WeakPolarHBondContact CA-O 3.39Å; A376-M408 HydrophobicContact CB-CB 3.89Å; A376-M408 HydrophobicContact CB-CG 4.3Å; A376-M408 VanDerWaalsContact CB-O 3.29Å; A376-M408 WeakPolarHBondContact CB-O 3.37Å; A376-M408 HydrophobicContact CB-SD 3.83Å; A376-H411 HydrophobicContact CB-CB 4Å
377V93.7Very high89.2Confident44 Ų4444.2 Ų44.227%0.26727%0.27SS..  trans-80.8115.2174.3-171.40000108.8I341 T380 V387 N412I341-V377 HydrophobicContact CD1-CG2 3.9Å; I341-V377 HydrophobicContact CG1-CG2 4.4Å; V377-T380 HydrophobicContact CB-CG2 4.41Å; V377-T380 HydrophobicContact CG1-CG2 3.6Å; V377-T380 PolarHBondContact O-OG1 2.85Å; V377-V387 HydrophobicContact CG2-CG2 3.67Å; V377-V387 PolarHBondContact N-O 2.83Å; V377-N412 PolarHBondContact O-ND2 3.42Å
378P91.3Very high89.5Confident51 Ų5140 Ų4033%0.33124%0.244SC..THydrogen-bonded Turntrans-72.4158.2-177.130.8-35.6000112.1A376 T380 H411A376-P378 WeakPolarHBondContact O-CD 3.3Å; P378-T380 VanDerWaalsContact C-N 3.29Å; P378-T380 PolarHBondContact O-N 2.59Å; P378-H411 CarbonylContact C-O 3.58Å; P378-H411 WeakPolarHBondContact CA-O 3.37Å; P378-H411 HydrophobicContact CB-CB 4.38Å
379E88.3Confident89.8Confident144 Ų14439.7 Ų39.767%0.67324%0.243SC*.THydrogen-bonded Turntrans56.233.2172.1-58.6171-162.100114.5H411E379-H411 PolarHBondContact N-O 3.05Å
380T90.9Very high90.4Very high20 Ų2035.9 Ų35.912%0.12321%0.211CC..  trans-122.82.4-173.4480000116.4V377 P378 T383 R385 A386 N412V377-T380 HydrophobicContact CB-CG2 4.41Å; V377-T380 HydrophobicContact CG1-CG2 3.6Å; V377-T380 PolarHBondContact O-OG1 2.85Å; P378-T380 VanDerWaalsContact C-N 3.29Å; P378-T380 PolarHBondContact O-N 2.59Å; T380-T383 WeakPolarHBondContact O-CB 3.44Å; T380-T383 WeakPolarHBondContact O-CG2 3.06Å; T380-T383 PolarHBondContact O-N 3.13Å; T380-T383 VanDerWaalsContact O-N 3.13Å; T380-T383 PolarHBondContact O-OG1 3.01Å; T380-R385 HydrophobicContact CG2-CB 4.33Å; T380-A386 WeakPolarHBondContact O-CB 3.48Å; T380-N412 PolarHBondContact N-O 3.14Å
381V90Very high91.2Very high9 Ų933 Ų336%0.05518%0.181CC..THydrogen-bonded Turntrans-50150.6171.969.60000112.1D358 T383 N412 I413 L469D358-V381 HydrophobicContact CB-CG2 4.09Å; V381-T383 PolarHBondContact O-N 2.97Å; V381-N412 WeakPolarHBondContact CB-O 3.42Å; V381-N412 PolarHBondContact N-O 3.07Å; V381-I413 HydrophobicContact CB-CG2 4.04Å; V381-I413 HydrophobicContact CG1-CB 4.47Å; V381-I413 HydrophobicContact CG1-CG2 4.28Å; V381-I413 HydrophobicContact CG2-CG2 3.96Å; V381-L469 HydrophobicContact CG2-CD1 4.22Å; V381-L469 HydrophobicContact CG2-CD2 3.72Å; V381-L469 HydrophobicContact CG2-CG 4.26Å
382C88.4Confident91.6Very high53 Ų5331.6 Ų31.636%0.35817%0.166SC..THydrogen-bonded Turntrans64.914-169.8-43.80000114.7D358 C468D358-C382 PolarHBondContact O-N 2.91Å; C382-C468 WeakPolarHBondContact CA-SG 3.33Å; C382-C468 HydrophobicContact CB-CB 3.7Å; C382-C468 WeakPolarHBondContact CB-SG 3.29Å; C382-C468 WeakPolarHBondContact SG-CB 3.32Å; C382-C468 PolarHBondContact SG-N 2.85Å; C382-C468 VanDerWaalsContact SG-N 3.42Å; C382-C468 CovalentContact SG-SG 2.02Å; C382-C468 PolarHBondContact SG-SG 3.34Å
383T87.9Confident91.5Very high56 Ų5631.7 Ų31.734%0.34417%0.169SC..SBendtrans-127.5153.8176.5820000112.2T380 V381 R385 A386T380-T383 WeakPolarHBondContact O-CB 3.44Å; T380-T383 WeakPolarHBondContact O-CG2 3.06Å; T380-T383 PolarHBondContact O-N 3.13Å; T380-T383 VanDerWaalsContact O-N 3.13Å; T380-T383 PolarHBondContact O-OG1 3.01Å; V381-T383 PolarHBondContact O-N 2.97Å; T383-R385 PolarHBondContact O-N 3.03Å; T383-R385 PolarHBondContact OG1-N 2.82Å; T383-A386 VanDerWaalsContact O-CB 3.3Å; T383-A386 WeakPolarHBondContact O-CB 3.33Å; T383-A386 PolarHBondContact O-N 2.88Å
384P85.6Confident91.3Very high71 Ų7133 Ų3346%0.46118%0.176SC..THydrogen-bonded Turntrans-57.6-11.2173.4-27.636.4000115.6
385R89.2Confident91Very high160 Ų16033.7 Ų33.760%0.60418%0.18SC*.THydrogen-bonded Turntrans-96.2-1178.9-61.3-179.2179.2176.51.2113.8T380 T383 V387T380-R385 HydrophobicContact CG2-CB 4.33Å; T383-R385 PolarHBondContact O-N 3.03Å; T383-R385 PolarHBondContact OG1-N 2.82Å; R385-V387 VanDerWaalsContact C-N 3.28Å; R385-V387 PolarHBondContact O-N 3.21Å
386A93.7Very high90.6Very high1 Ų133.7 Ų33.71%0.00818%0.179CC..  trans-64.987.6171.600000110D358 T359 T360 T380 T383D358-A386 WeakPolarHBondContact O-CB 3.39Å; T359-A386 CarbonylContact C-O 3.59Å; T359-A386 WeakPolarHBondContact CA-O 3.47Å; T360-A386 PolarHBondContact N-O 2.89Å; T380-A386 WeakPolarHBondContact O-CB 3.48Å; T383-A386 VanDerWaalsContact O-CB 3.3Å; T383-A386 WeakPolarHBondContact O-CB 3.33Å; T383-A386 PolarHBondContact O-N 2.88Å
387V95.9Very high90.2Very high0 Ų033.6 Ų33.60%018%0.178CC..EExtended strand (participates in β ladder)trans-129.2148179.8-55.70000112.1I341 F344 N345 T348 T360 A376 V377 R385 N412I341-V387 HydrophobicContact CD1-CG2 4.14Å; I341-V387 HydrophobicContact CG1-CG2 3.79Å; F344-V387 HydrophobicContact CD1-CB 3.95Å; F344-V387 HydrophobicContact CD1-CG1 4.3Å; F344-V387 HydrophobicContact CD1-CG2 4.42Å; F344-V387 HydrophobicContact CE1-CB 3.99Å; F344-V387 HydrophobicContact CE1-CG1 4.23Å; N345-V387 HydrophobicContact CB-CG2 4.07Å; T348-V387 HydrophobicContact CG2-CG1 3.86Å; T360-V387 VanDerWaalsContact O-CA 3.29Å; T360-V387 WeakPolarHBondContact O-CA 3.35Å; A376-V387 WeakPolarHBondContact CA-O 3.39Å; V377-V387 HydrophobicContact CG2-CG2 3.67Å; V377-V387 PolarHBondContact N-O 2.83Å; R385-V387 VanDerWaalsContact C-N 3.28Å; R385-V387 PolarHBondContact O-N 3.21Å; V387-N412 PolarHBondContact O-ND2 3.05Å
388G96.3Very high90Very high0 Ų032.6 Ų32.60%017%0.173CC..EExtended strand (participates in β ladder)trans-141.6153.9171.100000111.9T360 L362 M375T360-G388 PolarHBondContact O-N 3.47Å; T360-G388 VanDerWaalsContact O-N 3.07Å; L362-G388 PolarHBondContact N-O 3.13Å; M375-G388 CarbonylContact O-C 3.52Å; M375-G388 WeakPolarHBondContact O-CA 3.47Å
389I96.3Very high89.9Confident0 Ų030.4 Ų30.40%016%0.158CC..EExtended strand (participates in β ladder)trans-120.8124.6172.2-59.1-172.1000107.7I337 A340 I341 F344 L362 T364 F368 G374 M375I337-I389 HydrophobicContact CD1-CB 4.41Å; I337-I389 HydrophobicContact CD1-CG2 4.2Å; A340-I389 HydrophobicContact CB-CD1 3.82Å; I341-I389 HydrophobicContact CB-CD1 3.9Å; I341-I389 HydrophobicContact CB-CG1 4.34Å; I341-I389 HydrophobicContact CG1-CD1 4.44Å; I341-I389 HydrophobicContact CG1-CG1 4.38Å; F344-I389 HydrophobicContact CD1-CG1 4.43Å; L362-I389 HydrophobicContact CB-CG1 4.16Å; L362-I389 HydrophobicContact CD2-CD1 4.01Å; L362-I389 HydrophobicContact CD2-CG1 4.02Å; L362-I389 HydrophobicContact CD2-CG2 4.27Å; T364-I389 HydrophobicContact CG2-CG2 3.72Å; F368-I389 HydrophobicContact CE2-CG2 4.17Å; G374-I389 CarbonylContact C-O 3.58Å; G374-I389 WeakPolarHBondContact CA-O 3.4Å; M375-I389 PolarHBondContact N-O 2.62Å; M375-I389 VanDerWaalsContact N-O 3.07Å; M375-I389 PolarHBondContact O-N 3.24Å
390S95.5Very high89.9Confident0 Ų023.8 Ų23.80%013%0.127CC..EExtended strand (participates in β ladder)trans-119.4123.8175.9-58.50000110.3L362 T364 M405 M408L362-S390 PolarHBondContact O-N 3.39Å; T364-S390 PolarHBondContact N-O 3.04Å; S390-M405 WeakPolarHBondContact OG-CA 3.17Å; S390-M408 WeakPolarHBondContact OG-CG 3Å
391V93.7Very high90Very high0 Ų023 Ų230%012%0.123CC..EExtended strand (participates in β ladder)trans-89.3124.8-178.1176.70000110.3T364 E366 F368 A373 V393T364-V391 HydrophobicContact CG2-CG2 4.01Å; E366-V391 VanDerWaalsContact O-CG1 3.24Å; E366-V391 WeakPolarHBondContact O-CG1 3.3Å; F368-V391 HydrophobicContact CD2-CG2 3.79Å; F368-V391 HydrophobicContact CE2-CG2 3.82Å; A373-V391 VanDerWaalsContact O-CB 3.26Å; A373-V391 WeakPolarHBondContact O-CB 3.38Å; A373-V391 WeakPolarHBondContact O-CG2 3.38Å; A373-V391 PolarHBondContact O-N 3.39Å; V391-V393 PolarHBondContact O-N 2.81Å
392D91.4Very high90.2Very high2 Ų222.6 Ų22.61%0.01112%0.12CC..  trans-63.6107.1169.1-176.8-27.2000109.5M282 K285 R286 T364 N394 V395 L401M282-D392 HydrophobicContact CE-CB 4.43Å; M282-D392 HydrophobicContact SD-CB 3.66Å; K285-D392 HydrophobicContact CD-CB 4.39Å; K285-D392 PolarHBondContact NZ-O 3.12Å; R286-D392 IonicContact CZ-OD2 2.83Å; R286-D392 VanDerWaalsContact CZ-OD2 3.22Å; R286-D392 IonicContact NH1-OD2 3.78Å; R286-D392 PolarHBondContact NH1-OD2 2.97Å; R286-D392 IonicContact NH2-OD2 3.85Å; R286-D392 PolarHBondContact NH2-OD2 3.43Å; T364-D392 PolarHBondContact O-N 2.97Å; D392-N394 PolarHBondContact OD1-N 2.78Å; D392-V395 PolarHBondContact OD1-N 3.27Å; D392-L401 HydrophobicContact CB-CD2 4.06Å
393V85.3Confident90.4Very high34 Ų3420.1 Ų20.121%0.20610%0.103CC..SBendtrans-80.2-42.1177.9-177.60000111.3A220 K222 V391A220-V393 HydrophobicContact CB-CG1 3.73Å; K222-V393 HydrophobicContact CD-CG1 4.17Å; K222-V393 HydrophobicContact CD-CG2 3.82Å; V391-V393 PolarHBondContact O-N 2.81Å
394N83.9Confident90.6Very high29 Ų2917.4 Ų17.416%0.1559%0.087CC..  trans-145.8118.7176.8-174.912.7000111.4D392 Y396 E397 L400D392-N394 PolarHBondContact OD1-N 2.78Å; N394-Y396 PolarHBondContact O-N 3.45Å; N394-Y396 VanDerWaalsContact O-N 3.09Å; N394-E397 HydrophobicContact CB-CB 4.3Å; N394-E397 PolarHBondContact ND2-OE2 3.12Å; N394-E397 PolarHBondContact O-N 3.5Å; N394-L400 HydrophobicContact CB-CD1 4.42Å
395V86.1Confident91.1Very high13 Ų1314 Ų148%0.0797%0.065CC..THydrogen-bonded Turntrans-51.4-36.3-176.5173.40000113.3K285 R286 D392K285-V395 HydrophobicContact CD-CG2 3.99Å; K285-V395 HydrophobicContact CG-CG2 3.75Å; R286-V395 HydrophobicContact CG-CG1 3.75Å; R286-V395 HydrophobicContact CG-CG2 4.45Å; D392-V395 PolarHBondContact OD1-N 3.27Å
396Y84.2Confident91.4Very high17 Ų176.4 Ų6.47%0.0674%0.036CC..THydrogen-bonded Turntrans-93.95-175.3-55.7-55.2000114.1E55 L56 R59 H199 N394E55-Y396 HydrophobicContact CG-CE2 4.46Å; L56-Y396 HydrophobicContact CB-CE1 4.37Å; L56-Y396 HydrophobicContact CB-CE2 4.29Å; L56-Y396 HydrophobicContact CD1-CD1 3.62Å; L56-Y396 HydrophobicContact CD1-CD2 3.91Å; L56-Y396 HydrophobicContact CD1-CE1 4Å; L56-Y396 HydrophobicContact CD1-CE2 4.26Å; L56-Y396 HydrophobicContact CD1-CG 3.57Å; R59-Y396 HydrophobicContact CB-CD2 3.9Å; R59-Y396 HydrophobicContact CB-CE2 4Å; R59-Y396 HydrophobicContact CG-CD2 4.45Å; R59-Y396 HydrophobicContact CG-CE2 4.16Å; H199-Y396 AromaticContact NE2-CD1 3.76Å; N394-Y396 PolarHBondContact O-N 3.45Å; N394-Y396 VanDerWaalsContact O-N 3.09Å
397E86.3Confident91.4Very high1 Ų16.4 Ų6.41%0.0054%0.036CC..  trans-126.771.5179.8-72.2-179.4123.800111.1F214 A216 T218 N394 H399 L400F214-E397 HydrophobicContact CE2-CG 4Å; F214-E397 HydrophobicContact CZ-CG 4.06Å; A216-E397 VanDerWaalsContact CB-OE1 3.26Å; A216-E397 WeakPolarHBondContact CB-OE1 3.42Å; T218-E397 WeakPolarHBondContact CB-OE2 2.97Å; T218-E397 VanDerWaalsContact OG1-CD 3.25Å; T218-E397 PolarHBondContact OG1-OE1 3.34Å; T218-E397 PolarHBondContact OG1-OE2 3.2Å; N394-E397 HydrophobicContact CB-CB 4.3Å; N394-E397 PolarHBondContact ND2-OE2 3.12Å; N394-E397 PolarHBondContact O-N 3.5Å; E397-H399 PolarHBondContact O-N 3.31Å; E397-H399 IonicContact OE1-CE1 3.26Å; E397-L400 HydrophobicContact CB-CD1 3.89Å; E397-L400 HydrophobicContact CB-CG 4.11Å; E397-L400 PolarHBondContact O-N 2.97Å
398P89.7Confident91.4Very high23 Ų236.4 Ų6.415%0.1494%0.036CC..Hα-helixtrans-61.8-19-172.224.3-35.1000114.1V301 I304 L400 L401 A402V301-P398 HydrophobicContact CG2-CB 4.02Å; I304-P398 HydrophobicContact CD1-CB 4.06Å; I304-P398 HydrophobicContact CD1-CG 4.1Å; P398-L400 VanDerWaalsContact C-N 3.32Å; P398-L400 PolarHBondContact O-N 2.74Å; P398-L401 PolarHBondContact O-N 2.85Å; P398-A402 WeakPolarHBondContact O-CB 3.34Å; P398-A402 PolarHBondContact O-N 2.63Å
399H88.8Confident91.4Very high5 Ų56.4 Ų6.42%0.0234%0.036CC..Hα-helixtrans-66.2-28.4175.365-87.9000113.7V188 A216 I304 E397 G403V188-H399 HydrophobicContact CG1-CB 4.08Å; A216-H399 VanDerWaalsContact CB-CE1 3.47Å; A216-H399 WeakPolarHBondContact CB-CE1 3.27Å; I304-H399 HydrophobicContact CG2-CB 4.47Å; E397-H399 PolarHBondContact O-N 3.31Å; E397-H399 IonicContact OE1-CE1 3.26Å; H399-G403 PolarHBondContact O-N 2.74Å
400L89.4Confident91.3Very high5 Ų56.4 Ų6.43%0.0264%0.036CC..Hα-helixtrans-69.4-42175.5-59.5177.7000110.7T218 N394 E397 P398 T404 V439 Q445T218-L400 HydrophobicContact CG2-CD1 3.91Å; N394-L400 HydrophobicContact CB-CD1 4.42Å; E397-L400 HydrophobicContact CB-CD1 3.89Å; E397-L400 HydrophobicContact CB-CG 4.11Å; E397-L400 PolarHBondContact O-N 2.97Å; P398-L400 VanDerWaalsContact C-N 3.32Å; P398-L400 PolarHBondContact O-N 2.74Å; L400-T404 WeakPolarHBondContact O-CB 3.01Å; L400-T404 PolarHBondContact O-N 3.09Å; L400-T404 PolarHBondContact O-OG1 2.97Å; L400-V439 HydrophobicContact CD2-CG1 4.31Å; L400-V439 HydrophobicContact CD2-CG2 4.29Å; L400-Q445 HydrophobicContact CD2-CB 4.41Å
401L92.5Very high91.3Very high5 Ų56.9 Ų6.93%0.0264%0.038CC..Hα-helixtrans-70.9-36.2175.9-17653.9000111.4M282 V301 L363 D392 P398 T404 M405M282-L401 HydrophobicContact CE-CD2 4.04Å; V301-L401 HydrophobicContact CG1-CB 4.47Å; V301-L401 HydrophobicContact CG1-CD2 4.48Å; V301-L401 HydrophobicContact CG1-CG 4Å; V301-L401 HydrophobicContact CG2-CB 4.26Å; V301-L401 HydrophobicContact CG2-CD2 4.01Å; V301-L401 HydrophobicContact CG2-CG 4.17Å; L363-L401 HydrophobicContact CD2-CD1 4.19Å; L363-L401 HydrophobicContact CD2-CD2 4.47Å; L363-L401 HydrophobicContact CD2-CG 4.35Å; D392-L401 HydrophobicContact CB-CD2 4.06Å; P398-L401 PolarHBondContact O-N 2.85Å; L401-T404 WeakPolarHBondContact O-CB 3.3Å; L401-T404 PolarHBondContact O-N 2.83Å; L401-M405 WeakPolarHBondContact O-CB 3.03Å; L401-M405 PolarHBondContact O-N 2.82Å
402A94Very high91.3Very high0 Ų06.9 Ų6.90%04%0.038CC..Hα-helixtrans-67.8-40.4174.600000113V301 I304 Y308 P398 T404 M405 A406V301-A402 HydrophobicContact CG1-CB 4.19Å; V301-A402 WeakPolarHBondContact O-CB 3.18Å; I304-A402 HydrophobicContact CB-CB 3.6Å; I304-A402 HydrophobicContact CG2-CB 3.49Å; I304-A402 VanDerWaalsContact CG2-CB 3.49Å; Y308-A402 HydrophobicContact CE2-CB 4.43Å; P398-A402 WeakPolarHBondContact O-CB 3.34Å; P398-A402 PolarHBondContact O-N 2.63Å; A402-T404 VanDerWaalsContact C-N 3.31Å; A402-M405 PolarHBondContact O-N 2.67Å; A402-A406 WeakPolarHBondContact O-CB 3.29Å; A402-A406 PolarHBondContact O-N 2.69Å
403G92.1Very high91.4Very high0 Ų06.9 Ų6.90%04%0.038CC..Hα-helixtrans-62.9-39.1171.900000112.1H399 A406 H407H399-G403 PolarHBondContact O-N 2.74Å; G403-A406 PolarHBondContact O-N 2.98Å; G403-H407 WeakPolarHBondContact O-CB 3.41Å; G403-H407 PolarHBondContact O-N 3.01Å
404T93Very high91.6Very high0 Ų06.1 Ų6.10%04%0.037CC..Hα-helixtrans-62.3-48.3172.3-53.80000111.9A373 L400 L401 A402 A406 H407 M408 I438A373-T404 HydrophobicContact CB-CG2 4.37Å; A373-T404 VanDerWaalsContact O-CG2 3.24Å; A373-T404 WeakPolarHBondContact O-CG2 3.49Å; L400-T404 WeakPolarHBondContact O-CB 3.01Å; L400-T404 PolarHBondContact O-N 3.09Å; L400-T404 PolarHBondContact O-OG1 2.97Å; L401-T404 WeakPolarHBondContact O-CB 3.3Å; L401-T404 PolarHBondContact O-N 2.83Å; A402-T404 VanDerWaalsContact C-N 3.31Å; T404-A406 VanDerWaalsContact C-N 3.34Å; T404-A406 PolarHBondContact O-N 3.36Å; T404-H407 WeakPolarHBondContact O-CB 3.46Å; T404-H407 PolarHBondContact O-N 2.63Å; T404-M408 HydrophobicContact CG2-CE 4.03Å; T404-M408 WeakPolarHBondContact O-CG 3.03Å; T404-M408 PolarHBondContact O-N 2.9Å; T404-I438 HydrophobicContact CG2-CD1 4.12Å
405M95.5Very high92Very high0 Ų04.9 Ų4.90%03%0.03CC..Hα-helixtrans-61.8-40.5176.8-177.1178.7173.300112T274 I276 V301 A302 Q361 L363 S390 L401 A402 M408 I409T274-M405 HydrophobicContact CG2-CE 3.79Å; I276-M405 HydrophobicContact CD1-CE 4.2Å; I276-M405 HydrophobicContact CG1-CE 4.35Å; V301-M405 HydrophobicContact CG1-SD 3.88Å; A302-M405 HydrophobicContact CB-CE 4.41Å; Q361-M405 HydrophobicContact CB-CE 4.29Å; Q361-M405 HydrophobicContact CG-CE 4.14Å; Q361-M405 HydrophobicContact CG-CG 4.31Å; L363-M405 HydrophobicContact CD2-SD 4.38Å; S390-M405 WeakPolarHBondContact OG-CA 3.17Å; L401-M405 WeakPolarHBondContact O-CB 3.03Å; L401-M405 PolarHBondContact O-N 2.82Å; A402-M405 PolarHBondContact O-N 2.67Å; M405-M408 PolarHBondContact O-N 3.43Å; M405-I409 HydrophobicContact CE-CD1 4.03Å; M405-I409 HydrophobicContact CG-CD1 4.02Å; M405-I409 WeakPolarHBondContact O-CG1 2.92Å; M405-I409 PolarHBondContact O-N 3.19Å
406A95.4Very high92.2Very high0 Ų05.5 Ų5.50%04%0.04CC..Hα-helixtrans-64.9-39.2175.600000112.5Y308 F309 A402 G403 T404 G410 I433 F449Y308-A406 HydrophobicContact CD2-CB 4.23Å; F309-A406 HydrophobicContact CE2-CB 3.93Å; F309-A406 HydrophobicContact CZ-CB 4.38Å; F309-A406 WeakPolarHBondContact CZ-O 3.37Å; A402-A406 WeakPolarHBondContact O-CB 3.29Å; A402-A406 PolarHBondContact O-N 2.69Å; G403-A406 PolarHBondContact O-N 2.98Å; T404-A406 VanDerWaalsContact C-N 3.34Å; T404-A406 PolarHBondContact O-N 3.36Å; A406-G410 PolarHBondContact O-N 3.08Å; A406-I433 HydrophobicContact CB-CG2 4.13Å; A406-F449 HydrophobicContact CB-CZ 4.43Å
407H94.7Very high92.5Very high0 Ų05.8 Ų5.80%04%0.041CC..Hα-helixtrans-64.7-42.9172.4-175114.1000111.8C224 G403 T404 G410 H411 H417 I433 A435 I438C224-H407 VanDerWaalsContact CB-NE2 3.26Å; C224-H407 WeakPolarHBondContact CB-NE2 3.31Å; C224-H407 PolarHBondContact SG-NE2 2.91Å; G403-H407 WeakPolarHBondContact O-CB 3.41Å; G403-H407 PolarHBondContact O-N 3.01Å; T404-H407 WeakPolarHBondContact O-CB 3.46Å; T404-H407 PolarHBondContact O-N 2.63Å; H407-G410 WeakPolarHBondContact O-CA 3.05Å; H407-G410 PolarHBondContact O-N 2.89Å; H407-H411 AromaticContact CD2-CD2 3.43Å; H407-H411 PolarHBondContact CD2-CD2 3.18Å; H407-H411 VanDerWaalsContact CD2-CD2 3.43Å; H407-H411 AromaticContact CD2-NE2 3.51Å; H407-H411 AromaticContact CE1-NE2 3.96Å; H407-H411 AromaticContact NE2-CD2 3.45Å; H407-H411 PolarHBondContact NE2-CD2 2.93Å; H407-H411 AromaticContact NE2-NE2 2.96Å; H407-H411 PolarHBondContact NE2-NE2 2.75Å; H407-H411 PolarHBondContact O-CD2 3.31Å; H407-H411 PolarHBondContact O-N 3.01Å; H407-H411 VanDerWaalsContact O-N 3.11Å; H407-H417 AromaticContact CE1-CD2 3.5Å; H407-H417 PolarHBondContact CE1-CD2 3.33Å; H407-H417 VanDerWaalsContact CE1-CD2 3.5Å; H407-H417 AromaticContact CE1-NE2 3.54Å; H407-H417 AromaticContact NE2-CD2 3.55Å; H407-H417 AromaticContact NE2-NE2 3.2Å; H407-H417 PolarHBondContact NE2-NE2 3.07Å; H407-I433 HydrophobicContact CB-CG2 4.1Å; H407-I433 PolarHBondContact ND1-O 2.87Å; H407-A435 PolarHBondContact CE1-O 2.95Å; H407-A435 PolarHBondContact ND1-O 3.39Å; H407-I438 HydrophobicContact CB-CD1 4.26Å; H407-I438 HydrophobicContact CB-CG1 4.44Å; H407-I438 HydrophobicContact CB-CG2 4.46Å
408M95.4Very high92.5Very high0 Ų06.1 Ų6.10%04%0.043CC..Hα-helixtrans-63.8-45.6178-67.9-39.1116.700112.5M375 A376 S390 T404 M405 G410 H411 N412 I438M375-M408 PolarHBondContact N-SD 3.23Å; A376-M408 HydrophobicContact CB-CB 3.89Å; A376-M408 HydrophobicContact CB-CG 4.3Å; A376-M408 VanDerWaalsContact CB-O 3.29Å; A376-M408 WeakPolarHBondContact CB-O 3.37Å; A376-M408 HydrophobicContact CB-SD 3.83Å; S390-M408 WeakPolarHBondContact OG-CG 3Å; T404-M408 HydrophobicContact CG2-CE 4.03Å; T404-M408 WeakPolarHBondContact O-CG 3.03Å; T404-M408 PolarHBondContact O-N 2.9Å; M405-M408 PolarHBondContact O-N 3.43Å; M408-G410 VanDerWaalsContact C-N 3.27Å; M408-G410 PolarHBondContact O-N 3.19Å; M408-H411 PolarHBondContact O-N 2.99Å; M408-N412 PolarHBondContact O-N 2.86Å; M408-N412 VanDerWaalsContact O-N 3.17Å; M408-N412 PolarHBondContact O-OD1 2.82Å; M408-I438 HydrophobicContact CE-CD1 3.35Å
409I96.3Very high92.1Very high0 Ų08.6 Ų8.60%06%0.055CC..Hα-helixtrans-63.3-37.6173.8-66.4170.5000110.1I272 F309 T359 Q361 M405 H411 N412 I413I272-I409 HydrophobicContact CD1-CG2 3.72Å; I272-I409 HydrophobicContact CG2-CG2 4.28Å; F309-I409 HydrophobicContact CE1-CG2 4.19Å; F309-I409 HydrophobicContact CE2-CB 4.02Å; F309-I409 HydrophobicContact CE2-CD1 4.28Å; F309-I409 HydrophobicContact CE2-CG2 3.9Å; F309-I409 HydrophobicContact CZ-CB 3.72Å; F309-I409 HydrophobicContact CZ-CG2 3.45Å; F309-I409 VanDerWaalsContact CZ-CG2 3.45Å; T359-I409 HydrophobicContact CG2-CG1 4.33Å; Q361-I409 HydrophobicContact CG-CD1 4.16Å; Q361-I409 HydrophobicContact CG-CG1 3.98Å; M405-I409 HydrophobicContact CE-CD1 4.03Å; M405-I409 HydrophobicContact CG-CD1 4.02Å; M405-I409 WeakPolarHBondContact O-CG1 2.92Å; M405-I409 PolarHBondContact O-N 3.19Å; I409-H411 PolarHBondContact O-N 3.19Å; I409-N412 WeakPolarHBondContact O-CB 3.28Å; I409-N412 PolarHBondContact O-N 3.14Å; I409-I413 HydrophobicContact CG2-CG2 4.34Å; I409-I413 WeakPolarHBondContact O-CG1 3.4Å; I409-I413 PolarHBondContact O-N 3.18Å
410G94.6Very high91.2Very high0 Ų012.6 Ų12.60%010%0.098CC..Hα-helixtrans-51.6-48.5172.600000113.3A406 H407 M408 I413 G414 M415A406-G410 PolarHBondContact O-N 3.08Å; H407-G410 WeakPolarHBondContact O-CA 3.05Å; H407-G410 PolarHBondContact O-N 2.89Å; M408-G410 VanDerWaalsContact C-N 3.27Å; M408-G410 PolarHBondContact O-N 3.19Å; G410-I413 WeakPolarHBondContact O-CG1 3.28Å; G410-I413 PolarHBondContact O-N 2.81Å; G410-G414 PolarHBondContact O-N 2.86Å; G410-M415 VanDerWaalsContact O-CB 3.28Å; G410-M415 WeakPolarHBondContact O-CB 3.39Å; G410-M415 PolarHBondContact O-N 3.42Å
411H94.5Very high90.7Very high10 Ų1016.5 Ų16.55%0.04611%0.112CC..Hα-helixtrans-61.4-46.7172-78-88.2000111.8N226 A376 P378 E379 H407 M408 I409 I413 G414 H417N226-H411 PolarHBondContact ND2-CE1 2.79Å; N226-H411 PolarHBondContact ND2-ND1 3.15Å; A376-H411 HydrophobicContact CB-CB 4Å; P378-H411 CarbonylContact C-O 3.58Å; P378-H411 WeakPolarHBondContact CA-O 3.37Å; P378-H411 HydrophobicContact CB-CB 4.38Å; E379-H411 PolarHBondContact N-O 3.05Å; H407-H411 AromaticContact CD2-CD2 3.43Å; H407-H411 PolarHBondContact CD2-CD2 3.18Å; H407-H411 VanDerWaalsContact CD2-CD2 3.43Å; H407-H411 AromaticContact CD2-NE2 3.51Å; H407-H411 AromaticContact CE1-NE2 3.96Å; H407-H411 AromaticContact NE2-CD2 3.45Å; H407-H411 PolarHBondContact NE2-CD2 2.93Å; H407-H411 AromaticContact NE2-NE2 2.96Å; H407-H411 PolarHBondContact NE2-NE2 2.75Å; H407-H411 PolarHBondContact O-CD2 3.31Å; H407-H411 PolarHBondContact O-N 3.01Å; H407-H411 VanDerWaalsContact O-N 3.11Å; M408-H411 PolarHBondContact O-N 2.99Å; I409-H411 PolarHBondContact O-N 3.19Å; H411-I413 PolarHBondContact O-N 2.77Å; H411-G414 PolarHBondContact O-N 2.86Å; H411-H417 AromaticContact CE1-CD2 3.63Å; H411-H417 AromaticContact CE1-NE2 3.4Å; H411-H417 PolarHBondContact CE1-NE2 3.17Å; H411-H417 AromaticContact NE2-CD2 3.44Å; H411-H417 PolarHBondContact NE2-CD2 3.11Å; H411-H417 AromaticContact NE2-NE2 3.12Å; H411-H417 PolarHBondContact NE2-NE2 3.38Å; H411-H417 VanDerWaalsContact NE2-NE2 3.12Å
412N94.6Very high89.7Confident0 Ų025.2 Ų25.20%015%0.153CC..Hα-helixtrans-56.4-38.3-179.7-62.4142.9000112.3T359 Q361 V377 T380 V381 V387 M408 I409 G414T359-N412 PolarHBondContact OG1-OD1 3.39Å; Q361-N412 PolarHBondContact NE2-OD1 3.43Å; V377-N412 PolarHBondContact O-ND2 3.42Å; T380-N412 PolarHBondContact N-O 3.14Å; V381-N412 WeakPolarHBondContact CB-O 3.42Å; V381-N412 PolarHBondContact N-O 3.07Å; V387-N412 PolarHBondContact O-ND2 3.05Å; M408-N412 PolarHBondContact O-N 2.86Å; M408-N412 VanDerWaalsContact O-N 3.17Å; M408-N412 PolarHBondContact O-OD1 2.82Å; I409-N412 WeakPolarHBondContact O-CB 3.28Å; I409-N412 PolarHBondContact O-N 3.14Å; N412-G414 VanDerWaalsContact C-N 3.29Å; N412-G414 PolarHBondContact O-N 3.17Å
413I93Very high88.9Confident3 Ų334 Ų342%0.01519%0.194CC..THydrogen-bonded Turntrans-8611.9177.771.1-174.8000114.4I272 F309 V381 I409 G410 H411 M415 Y457 L469I272-I413 HydrophobicContact CD1-CG2 4.36Å; F309-I413 HydrophobicContact CE1-CD1 3.81Å; V381-I413 HydrophobicContact CB-CG2 4.04Å; V381-I413 HydrophobicContact CG1-CB 4.47Å; V381-I413 HydrophobicContact CG1-CG2 4.28Å; V381-I413 HydrophobicContact CG2-CG2 3.96Å; I409-I413 HydrophobicContact CG2-CG2 4.34Å; I409-I413 WeakPolarHBondContact O-CG1 3.4Å; I409-I413 PolarHBondContact O-N 3.18Å; G410-I413 WeakPolarHBondContact O-CG1 3.28Å; G410-I413 PolarHBondContact O-N 2.81Å; H411-I413 PolarHBondContact O-N 2.77Å; I413-M415 HydrophobicContact CD1-CE 3.64Å; I413-M415 HydrophobicContact CD1-SD 4.46Å; I413-M415 HydrophobicContact CG1-CE 4.15Å; I413-M415 HydrophobicContact CG1-CG 4.3Å; I413-Y457 HydrophobicContact CB-CD2 4.06Å; I413-Y457 HydrophobicContact CB-CE2 4.11Å; I413-Y457 HydrophobicContact CD1-CD2 3.83Å; I413-Y457 HydrophobicContact CD1-CE2 3.92Å; I413-Y457 HydrophobicContact CD1-CG 4.41Å; I413-Y457 HydrophobicContact CG1-CD2 3.96Å; I413-Y457 HydrophobicContact CG1-CE2 4.3Å; I413-L469 HydrophobicContact CG2-CD1 4.38Å
414G89.7Confident88.5Confident18 Ų1834.8 Ų34.819%0.18620%0.199CC..THydrogen-bonded Turntrans92.66.4169.900000116.3G410 H411 N412 G416G410-G414 PolarHBondContact O-N 2.86Å; H411-G414 PolarHBondContact O-N 2.86Å; N412-G414 VanDerWaalsContact C-N 3.29Å; N412-G414 PolarHBondContact O-N 3.17Å; G414-G416 PolarHBondContact O-N 3.26Å
415M92Very high87.8Confident2 Ų242.1 Ų42.11%0.0123%0.231CC..  trans-75.3123.8173.1-55.4176.6-177.300110.5L312 G410 I413 M434 F449 S453 D456 Y457L312-M415 HydrophobicContact CD1-CE 3.35Å; G410-M415 VanDerWaalsContact O-CB 3.28Å; G410-M415 WeakPolarHBondContact O-CB 3.39Å; G410-M415 PolarHBondContact O-N 3.42Å; I413-M415 HydrophobicContact CD1-CE 3.64Å; I413-M415 HydrophobicContact CD1-SD 4.46Å; I413-M415 HydrophobicContact CG1-CE 4.15Å; I413-M415 HydrophobicContact CG1-CG 4.3Å; M415-M434 HydrophobicContact CB-CE 3.86Å; M415-M434 HydrophobicContact CB-CG 4.09Å; M415-M434 HydrophobicContact CB-SD 4.2Å; M415-M434 WeakPolarHBondContact O-CE 3.32Å; M415-M434 HydrophobicContact SD-CG 4Å; M415-M434 HydrophobicContact SD-SD 4.24Å; M415-F449 HydrophobicContact CE-CD1 4.09Å; M415-F449 HydrophobicContact CE-CE1 4.25Å; M415-F449 HydrophobicContact SD-CD1 3.57Å; M415-F449 VanDerWaalsContact SD-CD1 3.57Å; M415-F449 HydrophobicContact SD-CE1 3.7Å; M415-S453 VanDerWaalsContact SD-CB 3.58Å; M415-D456 HydrophobicContact CG-CB 4.5Å; M415-Y457 HydrophobicContact CE-CD1 4.42Å; M415-Y457 HydrophobicContact CE-CG 3.97Å
416G89.4Confident87.1Confident27 Ų2744.6 Ų44.628%0.27825%0.248SC..  trans-79.7174.716500000111.8G414 R421 D456G414-G416 PolarHBondContact O-N 3.26Å; G416-R421 VanDerWaalsContact CA-NH2 3.32Å; G416-R421 PolarHBondContact O-NH2 3.3Å; G416-R421 VanDerWaalsContact O-NH2 3.12Å; G416-D456 PolarHBondContact N-OD2 3.46Å
417H91.1Very high86.1Confident23 Ų2356 Ų5611%0.10629%0.291CS..  trans-62.6149.7171.1-65.4152.1000112.1N226 H407 H411 R421 M434N226-H417 PolarHBondContact O-CE1 2.88Å; H407-H417 AromaticContact CE1-CD2 3.5Å; H407-H417 PolarHBondContact CE1-CD2 3.33Å; H407-H417 VanDerWaalsContact CE1-CD2 3.5Å; H407-H417 AromaticContact CE1-NE2 3.54Å; H407-H417 AromaticContact NE2-CD2 3.55Å; H407-H417 AromaticContact NE2-NE2 3.2Å; H407-H417 PolarHBondContact NE2-NE2 3.07Å; H411-H417 AromaticContact CE1-CD2 3.63Å; H411-H417 AromaticContact CE1-NE2 3.4Å; H411-H417 PolarHBondContact CE1-NE2 3.17Å; H411-H417 AromaticContact NE2-CD2 3.44Å; H411-H417 PolarHBondContact NE2-CD2 3.11Å; H411-H417 AromaticContact NE2-NE2 3.12Å; H411-H417 PolarHBondContact NE2-NE2 3.38Å; H411-H417 VanDerWaalsContact NE2-NE2 3.12Å; H417-R421 VanDerWaalsContact O-CZ 3.31Å; H417-R421 PolarHBondContact O-NE 2.85Å; H417-R421 PolarHBondContact O-NH2 3.14Å; H417-M434 CarbonylContact C-O 3.49Å; H417-M434 WeakPolarHBondContact CA-O 3.42Å
418D87.5Confident85.3Confident7 Ų758.6 Ų58.64%0.03731%0.305CS..SBendtrans-76.1-35.9171.4-65.1-42.7000111.1C432 M434 S450 S453D418-C432 WeakPolarHBondContact OD2-CB 3.49Å; D418-M434 PolarHBondContact N-O 2.92Å; D418-M434 WeakPolarHBondContact OD2-CB 3.46Å; D418-S450 VanDerWaalsContact CG-OG 3.29Å; D418-S450 VanDerWaalsContact OD1-CB 3.31Å; D418-S450 WeakPolarHBondContact OD1-CB 3.39Å; D418-S450 PolarHBondContact OD1-OG 3.44Å; D418-S450 WeakPolarHBondContact OD2-CB 3.45Å; D418-S453 PolarHBondContact OD1-OG 2.89Å
419D79.7Confident84.1Confident76 Ų7664.8 Ų64.841%0.40633%0.329SS..THydrogen-bonded Turntrans-62.8139.1176.7-69.1-58.9000112.1A435 Q436D419-A435 WeakPolarHBondContact OD2-CA 3.49Å; D419-Q436 HydrophobicContact CB-CB 4.45Å; D419-Q436 PolarHBondContact OD2-N 2.98Å
420G71.4Confident83Confident89 Ų8964.9 Ų64.992%0.91833%0.329SS*.THydrogen-bonded Turntrans86.72.1177.300000115.6
421R78.4Confident82.3Confident87 Ų8765.9 Ų65.933%0.32834%0.34SS..  trans-103.2118.6170.7-49.2-169.3-150.4-172.214.2110.5G416 H417 E423 C424 D456G416-R421 VanDerWaalsContact CA-NH2 3.32Å; G416-R421 PolarHBondContact O-NH2 3.3Å; G416-R421 VanDerWaalsContact O-NH2 3.12Å; H417-R421 VanDerWaalsContact O-CZ 3.31Å; H417-R421 PolarHBondContact O-NE 2.85Å; H417-R421 PolarHBondContact O-NH2 3.14Å; R421-E423 PolarHBondContact O-N 2.85Å; R421-E423 VanDerWaalsContact O-N 3.13Å; R421-C424 HydrophobicContact CB-CB 3.82Å; R421-C424 PolarHBondContact O-N 2.84Å; R421-D456 IonicContact CZ-OD1 3.77Å; R421-D456 IonicContact CZ-OD2 3.31Å; R421-D456 IonicContact NH1-OD1 2.71Å; R421-D456 PolarHBondContact NH1-OD1 3.11Å; R421-D456 IonicContact NH1-OD2 3.41Å; R421-D456 PolarHBondContact NH1-OD2 3.45Å; R421-D456 VanDerWaalsContact NH1-OD2 3.1Å; R421-D456 IonicContact NH2-OD1 2.73Å; R421-D456 IonicContact NH2-OD2 2.74Å; R421-D456 PolarHBondContact NH2-OD2 2.97Å
422E70.8Confident82.1Confident188 Ų18865.7 Ų65.788%0.87934%0.339SS*.THydrogen-bonded Turntrans-62-22.9-176.4-61.9-171.3167.800114.3F425E422-F425 VanDerWaalsContact O-CE2 3.31Å; E422-F425 WeakPolarHBondContact O-CE2 3.47Å; E422-F425 WeakPolarHBondContact O-CZ 3.18Å
423E77.3Confident81.9Confident184 Ų18465.8 Ų65.886%0.8634%0.339SS*.THydrogen-bonded Turntrans-90.4-5.4177.3-59.1-171165.600113.8R421R421-E423 PolarHBondContact O-N 2.85Å; R421-E423 VanDerWaalsContact O-N 3.13Å
424C83.7Confident81.8Confident17 Ų1765.6 Ų65.612%0.11534%0.339CS..  trans-100.5122.2-172.6-162.90000113.2R421 C452R421-C424 HydrophobicContact CB-CB 3.82Å; R421-C424 PolarHBondContact O-N 2.84Å; C424-C452 WeakPolarHBondContact CA-SG 3.18Å; C424-C452 HydrophobicContact CB-CB 4.04Å; C424-C452 WeakPolarHBondContact CB-SG 3.34Å; C424-C452 WeakPolarHBondContact SG-CB 3.43Å; C424-C452 CovalentContact SG-SG 2.03Å; C424-C452 PolarHBondContact SG-SG 2.97Å
425F79.4Confident81.8Confident153 Ų15365.4 Ų65.467%0.67134%0.335SS*.  trans-136.2115.8-177.2-59-79.2000111.5E422 R427E422-F425 VanDerWaalsContact O-CE2 3.31Å; E422-F425 WeakPolarHBondContact O-CE2 3.47Å; E422-F425 WeakPolarHBondContact O-CZ 3.18Å; F425-R427 PolarHBondContact O-N 3.24Å; F425-R427 VanDerWaalsContact O-N 3.13Å
426C80.3Confident81.4Confident52 Ų5269.3 Ų69.335%0.35135%0.353SS..  trans-67.5106.7166.3-67.90000109.7D428 C432C426-D428 VanDerWaalsContact C-N 3.33Å; C426-C432 WeakPolarHBondContact CA-SG 3.4Å; C426-C432 HydrophobicContact CB-CB 4.36Å; C426-C432 WeakPolarHBondContact CB-SG 3.39Å; C426-C432 WeakPolarHBondContact SG-CB 3.35Å; C426-C432 PolarHBondContact SG-N 2.8Å; C426-C432 VanDerWaalsContact SG-N 3.39Å; C426-C432 CovalentContact SG-SG 2.04Å; C426-C432 PolarHBondContact SG-SG 2.92Å
427R74.9Confident81Confident240 Ų24069.3 Ų69.391%0.90635%0.349SS*.  trans-75.5-25.2176.3-67.7-176.7175.4-174.8-1.5112.7F425F425-R427 PolarHBondContact O-N 3.24Å; F425-R427 VanDerWaalsContact O-N 3.13Å
428D76.4Confident80.1Confident55 Ų5568.3 Ų68.329%0.29435%0.345SS..SBendtrans-78.5126.9174-71-73.4000110.6C426 H430 G431 K448C426-D428 VanDerWaalsContact C-N 3.33Å; D428-H430 WeakPolarHBondContact CB-CE1 3.46Å; D428-H430 PolarHBondContact O-N 2.99Å; D428-H430 VanDerWaalsContact O-N 3.11Å; D428-H430 IonicContact OD1-NE2 2.67Å; D428-G431 PolarHBondContact O-N 3.35Å; D428-K448 VanDerWaalsContact CG-NZ 3.26Å; D428-K448 IonicContact OD1-NZ 3.53Å; D428-K448 PolarHBondContact OD1-NZ 3.31Å; D428-K448 WeakPolarHBondContact OD2-CD 3.49Å; D428-K448 IonicContact OD2-NZ 2.83Å; D428-K448 PolarHBondContact OD2-NZ 3.46Å
429W70.7Confident79.1Confident130 Ų13068.2 Ų68.249%0.49235%0.345SS..THydrogen-bonded Turntrans-58.9-21.2-179.568.8-82.4000113.5G192 N193 G431 V444G192-W429 WeakPolarHBondContact O-CZ2 3.44Å; G192-W429 PolarHBondContact O-NE1 2.91Å; N193-W429 HydrophobicContact CB-CH2 3.71Å; N193-W429 HydrophobicContact CB-CZ2 3.84Å; N193-W429 HydrophobicContact CB-CZ3 4.1Å; W429-G431 VanDerWaalsContact C-N 3.27Å; W429-G431 PolarHBondContact O-N 3.13Å; W429-V444 HydrophobicContact CH2-CB 3.97Å; W429-V444 HydrophobicContact CH2-CG1 3.69Å; W429-V444 HydrophobicContact CH2-CG2 3.77Å; W429-V444 HydrophobicContact CZ2-CG1 4.42Å; W429-V444 HydrophobicContact CZ3-CB 4.15Å; W429-V444 HydrophobicContact CZ3-CG1 4.36Å; W429-V444 HydrophobicContact CZ3-CG2 3.83Å
430H72.5Confident78.1Confident1 Ų165.2 Ų65.21%0.00533%0.331CS..THydrogen-bonded Turntrans-81.83.5174.557.955.6000113.9D428 V444 P446 Y447 K448D428-H430 WeakPolarHBondContact CB-CE1 3.46Å; D428-H430 PolarHBondContact O-N 2.99Å; D428-H430 VanDerWaalsContact O-N 3.11Å; D428-H430 IonicContact OD1-NE2 2.67Å; H430-V444 HydrophobicContact CB-CG1 4.03Å; H430-P446 WeakPolarHBondContact O-CG 3.31Å; H430-Y447 AromaticContact CD2-CD1 3.98Å; H430-Y447 AromaticContact CD2-CE1 3.3Å; H430-Y447 WeakPolarHBondContact CD2-CE1 3.41Å; H430-Y447 AromaticContact CD2-CZ 3.51Å; H430-Y447 AromaticContact CG-CE1 3.98Å; H430-Y447 AromaticContact NE2-CE1 3.61Å; H430-Y447 AromaticContact NE2-CE2 3.82Å; H430-Y447 AromaticContact NE2-CZ 3.46Å; H430-K448 WeakPolarHBondContact NE2-CE 3.16Å
431G81Confident77.2Confident22 Ų2268.1 Ų68.123%0.22732%0.321CS..  trans72.7-174.4-173.700000113.6D428 W429D428-G431 PolarHBondContact O-N 3.35Å; W429-G431 VanDerWaalsContact C-N 3.27Å; W429-G431 PolarHBondContact O-N 3.13Å
432C89.4Confident76.4Confident5 Ų572.1 Ų72.13%0.03434%0.343CS..  trans-117.9154.3179.5-49.80000111.3D418 C426 M434 A435 P446 K448 S450D418-C432 WeakPolarHBondContact OD2-CB 3.49Å; C426-C432 WeakPolarHBondContact CA-SG 3.4Å; C426-C432 HydrophobicContact CB-CB 4.36Å; C426-C432 WeakPolarHBondContact CB-SG 3.39Å; C426-C432 WeakPolarHBondContact SG-CB 3.35Å; C426-C432 PolarHBondContact SG-N 2.8Å; C426-C432 VanDerWaalsContact SG-N 3.39Å; C426-C432 CovalentContact SG-SG 2.04Å; C426-C432 PolarHBondContact SG-SG 2.92Å; C432-M434 PolarHBondContact O-N 2.86Å; C432-A435 WeakPolarHBondContact O-CB 3.49Å; C432-A435 PolarHBondContact O-N 2.97Å; C432-A435 VanDerWaalsContact O-N 3.11Å; C432-P446 WeakPolarHBondContact O-CB 3.31Å; C432-P446 WeakPolarHBondContact O-CG 3.29Å; C432-K448 CarbonylContact C-O 3.12Å; C432-K448 WeakPolarHBondContact CA-O 3.43Å; C432-S450 WeakPolarHBondContact SG-CB 3.35Å
433I91Very high75.9Confident2 Ų266 Ų661%0.0132%0.317CS..THydrogen-bonded Turntrans-58.5-34.7-178.8-71165000112.1Y308 A406 H407 A435 P446 K448 F449Y308-I433 HydrophobicContact CD2-CD1 4.19Å; Y308-I433 HydrophobicContact CG-CD1 4.14Å; A406-I433 HydrophobicContact CB-CG2 4.13Å; H407-I433 HydrophobicContact CB-CG2 4.1Å; H407-I433 PolarHBondContact ND1-O 2.87Å; I433-A435 VanDerWaalsContact C-N 3.29Å; I433-A435 PolarHBondContact O-N 3.4Å; I433-P446 HydrophobicContact CG1-CB 4.18Å; I433-P446 WeakPolarHBondContact CG1-O 3.39Å; I433-K448 WeakPolarHBondContact CG1-O 3.45Å; I433-K448 PolarHBondContact N-O 3.06Å; I433-F449 HydrophobicContact CB-CD1 4.06Å; I433-F449 HydrophobicContact CB-CE1 3.94Å; I433-F449 HydrophobicContact CB-CZ 4.36Å; I433-F449 HydrophobicContact CD1-CD2 4.01Å; I433-F449 HydrophobicContact CD1-CE1 4.28Å; I433-F449 HydrophobicContact CD1-CE2 3.72Å; I433-F449 HydrophobicContact CD1-CG 4.4Å; I433-F449 HydrophobicContact CD1-CZ 3.87Å; I433-F449 HydrophobicContact CG2-CD1 4.24Å; I433-F449 HydrophobicContact CG2-CE1 3.63Å; I433-F449 HydrophobicContact CG2-CZ 3.98Å
434M91.5Very high75.5Confident0 Ų058.2 Ų58.20%028%0.282CS..THydrogen-bonded Turntrans-87.415.1-179.8-58.9-55.6-60.300114.1M415 H417 D418 C432 F449M415-M434 HydrophobicContact CB-CE 3.86Å; M415-M434 HydrophobicContact CB-CG 4.09Å; M415-M434 HydrophobicContact CB-SD 4.2Å; M415-M434 WeakPolarHBondContact O-CE 3.32Å; M415-M434 HydrophobicContact SD-CG 4Å; M415-M434 HydrophobicContact SD-SD 4.24Å; H417-M434 CarbonylContact C-O 3.49Å; H417-M434 WeakPolarHBondContact CA-O 3.42Å; D418-M434 PolarHBondContact N-O 2.92Å; D418-M434 WeakPolarHBondContact OD2-CB 3.46Å; C432-M434 PolarHBondContact O-N 2.86Å; M434-F449 HydrophobicContact CG-CD1 4.03Å; M434-F449 HydrophobicContact CG-CE1 4.28Å; M434-F449 HydrophobicContact SD-CE1 4.26Å
435A88.6Confident75.1Confident14 Ų1457.7 Ų57.712%0.11628%0.277CS..SBendtrans-62142.4162.800000110.4H407 D419 C432 I433 S437H407-A435 PolarHBondContact CE1-O 2.95Å; H407-A435 PolarHBondContact ND1-O 3.39Å; D419-A435 WeakPolarHBondContact OD2-CA 3.49Å; C432-A435 WeakPolarHBondContact O-CB 3.49Å; C432-A435 PolarHBondContact O-N 2.97Å; C432-A435 VanDerWaalsContact O-N 3.11Å; I433-A435 VanDerWaalsContact C-N 3.29Å; I433-A435 PolarHBondContact O-N 3.4Å; A435-S437 PolarHBondContact O-N 2.91Å
436Q84.2Confident75.3Confident83 Ų8350.4 Ų50.439%0.38825%0.246SC..SBendtrans-64.4-31.1-179.6-174.3173.816.600111.5G223 C224 D419 I438G223-Q436 CarbonylContact C-O 3.59Å; G223-Q436 WeakPolarHBondContact CA-O 3.01Å; C224-Q436 PolarHBondContact N-O 2.87Å; D419-Q436 HydrophobicContact CB-CB 4.45Å; D419-Q436 PolarHBondContact OD2-N 2.98Å; Q436-I438 PolarHBondContact O-N 3.45Å
437S81.7Confident75.4Confident28 Ų2849.2 Ų49.220%0.19623%0.234CC..BIsolated β-bridgetrans-84.796.9164.7-170.80000109.5A435 V439A435-S437 PolarHBondContact O-N 2.91Å; S437-V439 VanDerWaalsContact C-N 3.3Å; S437-V439 PolarHBondContact O-N 3.18Å; S437-V439 PolarHBondContact OG-O 3.41Å
438I72.7Confident76Confident1 Ų140.9 Ų40.91%0.00520%0.204CC..SBendtrans-61.2-40.4-174.3-60-175.8000111.8C224 A373 T404 H407 M408 Q436 Q445C224-I438 HydrophobicContact CB-CD1 3.9Å; C224-I438 HydrophobicContact CB-CG1 4.13Å; A373-I438 HydrophobicContact CB-CD1 3.92Å; T404-I438 HydrophobicContact CG2-CD1 4.12Å; H407-I438 HydrophobicContact CB-CD1 4.26Å; H407-I438 HydrophobicContact CB-CG1 4.44Å; H407-I438 HydrophobicContact CB-CG2 4.46Å; M408-I438 HydrophobicContact CE-CD1 3.35Å; Q436-I438 PolarHBondContact O-N 3.45Å; I438-Q445 PolarHBondContact O-NE2 3.3Å; I438-Q445 PolarHBondContact O-OE1 3.07Å
439V65.5Low76.7Confident6 Ų639.2 Ų39.24%0.03619%0.194CC..SBendtrans-84.1118.6168.1-178.90000106.4A220 L400 S437A220-V439 HydrophobicContact CB-CG1 4.4Å; A220-V439 HydrophobicContact CB-CG2 4.32Å; A220-V439 VanDerWaalsContact O-CB 3.31Å; A220-V439 WeakPolarHBondContact O-CB 3.08Å; L400-V439 HydrophobicContact CD2-CG1 4.31Å; L400-V439 HydrophobicContact CD2-CG2 4.29Å; S437-V439 VanDerWaalsContact C-N 3.3Å; S437-V439 PolarHBondContact O-N 3.18Å; S437-V439 PolarHBondContact OG-O 3.41Å
440G59.3Low77.7Confident12 Ų1233.3 Ų33.312%0.12417%0.173CC..PPolyproline II helixtrans-70.5164.1-161.400000115.5V444G440-V444 VanDerWaalsContact CA-O 3.25Å; G440-V444 WeakPolarHBondContact CA-O 2.99Å; G440-V444 PolarHBondContact N-O 2.86Å
441Q52.7Low78.6Confident151 Ų15138.5 Ų38.571%0.70620%0.197SC*.G310 helixtrans-61.4150.9170.5-57.1-175.119.200109.9N443Q441-N443 VanDerWaalsContact C-N 3.25Å; Q441-N443 PolarHBondContact O-N 3.41Å
442E60.3Low79.1Confident170 Ų17038.3 Ų38.379%0.79419%0.192SC*.G310 helixtrans56.527.9-176.4-52.1-153.7151.200116.6
443N61.4Low79.2Confident60 Ų6038.1 Ų38.132%0.32119%0.191SC..G310 helixtrans69.723169.5-21.3-96000115.9R217 K219 Q441R217-N443 HydrophobicContact CB-CB 4.39Å; K219-N443 WeakPolarHBondContact CE-OD1 3.27Å; K219-N443 WeakPolarHBondContact CG-OD1 3.03Å; Q441-N443 VanDerWaalsContact C-N 3.25Å; Q441-N443 PolarHBondContact O-N 3.41Å
444V68.1Low79.2Confident20 Ų2041.6 Ų41.612%0.12121%0.206CC..  trans-119.6139175.2-1790000110.3W429 H430 G440 P446W429-V444 HydrophobicContact CH2-CB 3.97Å; W429-V444 HydrophobicContact CH2-CG1 3.69Å; W429-V444 HydrophobicContact CH2-CG2 3.77Å; W429-V444 HydrophobicContact CZ2-CG1 4.42Å; W429-V444 HydrophobicContact CZ3-CB 4.15Å; W429-V444 HydrophobicContact CZ3-CG1 4.36Å; W429-V444 HydrophobicContact CZ3-CG2 3.83Å; H430-V444 HydrophobicContact CB-CG1 4.03Å; G440-V444 VanDerWaalsContact CA-O 3.25Å; G440-V444 WeakPolarHBondContact CA-O 2.99Å; G440-V444 PolarHBondContact N-O 2.86Å; V444-P446 WeakPolarHBondContact O-CD 3.39Å
445Q75.6Confident79.1Confident6 Ų647 Ų473%0.02823%0.23CC..  trans-76.2124.1177.1-17856.847.900111L400 I438 Y447L400-Q445 HydrophobicContact CD2-CB 4.41Å; I438-Q445 PolarHBondContact O-NE2 3.3Å; I438-Q445 PolarHBondContact O-OE1 3.07Å; Q445-Y447 PolarHBondContact O-N 2.8Å
446P82.8Confident79.3Confident1 Ų148 Ų481%0.00623%0.233CC..  trans-58.1131.5166.9-21.727.6000111.9H430 C432 I433 V444H430-P446 WeakPolarHBondContact O-CG 3.31Å; C432-P446 WeakPolarHBondContact O-CB 3.31Å; C432-P446 WeakPolarHBondContact O-CG 3.29Å; I433-P446 HydrophobicContact CG1-CB 4.18Å; I433-P446 WeakPolarHBondContact CG1-O 3.39Å; V444-P446 WeakPolarHBondContact O-CD 3.39Å
447Y83.8Confident79.6Confident26 Ų2644.4 Ų44.410%0.10222%0.216CC..  trans-123.618.5176.959.9-94.2000113.5H190 H430 Q445H190-Y447 HydrophobicContact CB-CD1 4.36Å; H190-Y447 HydrophobicContact CB-CE1 4.15Å; H430-Y447 AromaticContact CD2-CD1 3.98Å; H430-Y447 AromaticContact CD2-CE1 3.3Å; H430-Y447 WeakPolarHBondContact CD2-CE1 3.41Å; H430-Y447 AromaticContact CD2-CZ 3.51Å; H430-Y447 AromaticContact CG-CE1 3.98Å; H430-Y447 AromaticContact NE2-CE1 3.61Å; H430-Y447 AromaticContact NE2-CE2 3.82Å; H430-Y447 AromaticContact NE2-CZ 3.46Å; Q445-Y447 PolarHBondContact O-N 2.8Å
448K87.8Confident79.9Confident66 Ų6644.5 Ų44.529%0.28721%0.214SC..SBendtrans-140.1153.1175.7-55.5179.9-168.2173.40111.3D428 H430 C432 I433D428-K448 VanDerWaalsContact CG-NZ 3.26Å; D428-K448 IonicContact OD1-NZ 3.53Å; D428-K448 PolarHBondContact OD1-NZ 3.31Å; D428-K448 WeakPolarHBondContact OD2-CD 3.49Å; D428-K448 IonicContact OD2-NZ 2.83Å; D428-K448 PolarHBondContact OD2-NZ 3.46Å; H430-K448 WeakPolarHBondContact NE2-CE 3.16Å; C432-K448 CarbonylContact C-O 3.12Å; C432-K448 WeakPolarHBondContact CA-O 3.43Å; I433-K448 WeakPolarHBondContact CG1-O 3.45Å; I433-K448 PolarHBondContact N-O 3.06Å
449F91.3Very high80.5Confident19 Ų1947.8 Ų47.88%0.08323%0.231CC..  trans-86.5157.7169.4-65.9-85.8000111.4F309 L312 A406 M415 I433 M434F309-F449 AromaticContact CD1-CE2 3.92Å; F309-F449 HydrophobicContact CD1-CE2 3.92Å; F309-F449 AromaticContact CD1-CZ 3.95Å; F309-F449 HydrophobicContact CD1-CZ 3.95Å; F309-F449 HydrophobicContact CE1-CE1 4.32Å; F309-F449 AromaticContact CE1-CE2 3.98Å; F309-F449 HydrophobicContact CE1-CE2 3.98Å; F309-F449 AromaticContact CE1-CZ 3.5Å; F309-F449 HydrophobicContact CE1-CZ 3.5Å; F309-F449 HydrophobicContact CE2-CZ 4.44Å; F309-F449 HydrophobicContact CG-CE2 4.39Å; F309-F449 AromaticContact CZ-CZ 3.78Å; F309-F449 HydrophobicContact CZ-CZ 3.78Å; L312-F449 HydrophobicContact CD1-CB 4.13Å; L312-F449 HydrophobicContact CD1-CD1 4.31Å; L312-F449 HydrophobicContact CD1-CD2 3.51Å; L312-F449 HydrophobicContact CD1-CE2 3.95Å; L312-F449 HydrophobicContact CD1-CG 3.72Å; L312-F449 HydrophobicContact CD2-CB 4.24Å; L312-F449 HydrophobicContact CG-CB 4.39Å; L312-F449 HydrophobicContact CG-CD2 3.87Å; L312-F449 HydrophobicContact CG-CG 4.3Å; A406-F449 HydrophobicContact CB-CZ 4.43Å; M415-F449 HydrophobicContact CE-CD1 4.09Å; M415-F449 HydrophobicContact CE-CE1 4.25Å; M415-F449 HydrophobicContact SD-CD1 3.57Å; M415-F449 VanDerWaalsContact SD-CD1 3.57Å; M415-F449 HydrophobicContact SD-CE1 3.7Å; I433-F449 HydrophobicContact CB-CD1 4.06Å; I433-F449 HydrophobicContact CB-CE1 3.94Å; I433-F449 HydrophobicContact CB-CZ 4.36Å; I433-F449 HydrophobicContact CD1-CD2 4.01Å; I433-F449 HydrophobicContact CD1-CE1 4.28Å; I433-F449 HydrophobicContact CD1-CE2 3.72Å; I433-F449 HydrophobicContact CD1-CG 4.4Å; I433-F449 HydrophobicContact CD1-CZ 3.87Å; I433-F449 HydrophobicContact CG2-CD1 4.24Å; I433-F449 HydrophobicContact CG2-CE1 3.63Å; I433-F449 HydrophobicContact CG2-CZ 3.98Å; M434-F449 HydrophobicContact CG-CD1 4.03Å; M434-F449 HydrophobicContact CG-CE1 4.28Å; M434-F449 HydrophobicContact SD-CE1 4.26Å
450S91.4Very high81.4Confident6 Ų648.1 Ų48.14%0.04224%0.235CC..  trans-81.2164.1177.288.90000111.6D418 C432 C452 S453 K454D418-S450 VanDerWaalsContact CG-OG 3.29Å; D418-S450 VanDerWaalsContact OD1-CB 3.31Å; D418-S450 WeakPolarHBondContact OD1-CB 3.39Å; D418-S450 PolarHBondContact OD1-OG 3.44Å; D418-S450 WeakPolarHBondContact OD2-CB 3.45Å; C432-S450 WeakPolarHBondContact SG-CB 3.35Å; S450-C452 PolarHBondContact O-N 3.41Å; S450-C452 VanDerWaalsContact O-N 3.13Å; S450-C452 WeakPolarHBondContact OG-CA 3.48Å; S450-C452 WeakPolarHBondContact OG-CB 3.28Å; S450-C452 PolarHBondContact OG-N 3.17Å; S450-C452 PolarHBondContact OG-SG 3.08Å; S450-C452 VanDerWaalsContact OG-SG 3.41Å; S450-S453 PolarHBondContact N-OG 3.38Å; S450-S453 VanDerWaalsContact N-OG 3.12Å; S450-S453 PolarHBondContact O-N 3.34Å; S450-S453 PolarHBondContact OG-N 2.95Å; S450-S453 PolarHBondContact OG-OG 3.17Å; S450-K454 VanDerWaalsContact O-CB 3.26Å; S450-K454 WeakPolarHBondContact O-CB 3.3Å; S450-K454 PolarHBondContact O-N 3.08Å
451E89.9Confident82.7Confident111 Ų11148.1 Ų48.152%0.51923%0.232SC..THydrogen-bonded Turntrans-68.6-0.6168-71.9-66.1154.300112.8K454 K455E451-K454 IonicContact OE1-NZ 3.74Å; E451-K454 PolarHBondContact OE1-NZ 3.44Å; E451-K454 IonicContact OE2-NZ 2.62Å; E451-K454 PolarHBondContact OE2-NZ 3.19Å; E451-K455 WeakPolarHBondContact O-CG 3.42Å; E451-K455 PolarHBondContact O-NZ 3.23Å
452C92.3Very high84Confident18 Ų1849 Ų4912%0.12223%0.229CC..THydrogen-bonded Turntrans-94.1-52.4171-33.80000109.7C424 S450 K454 K455 D456C424-C452 WeakPolarHBondContact CA-SG 3.18Å; C424-C452 HydrophobicContact CB-CB 4.04Å; C424-C452 WeakPolarHBondContact CB-SG 3.34Å; C424-C452 WeakPolarHBondContact SG-CB 3.43Å; C424-C452 CovalentContact SG-SG 2.03Å; C424-C452 PolarHBondContact SG-SG 2.97Å; S450-C452 PolarHBondContact O-N 3.41Å; S450-C452 VanDerWaalsContact O-N 3.13Å; S450-C452 WeakPolarHBondContact OG-CA 3.48Å; S450-C452 WeakPolarHBondContact OG-CB 3.28Å; S450-C452 PolarHBondContact OG-N 3.17Å; S450-C452 PolarHBondContact OG-SG 3.08Å; S450-C452 VanDerWaalsContact OG-SG 3.41Å; C452-K454 PolarHBondContact O-N 3.47Å; C452-K455 WeakPolarHBondContact O-CA 3.38Å; C452-K455 WeakPolarHBondContact O-CB 3.29Å; C452-K455 PolarHBondContact O-N 3.46Å; C452-D456 PolarHBondContact O-N 3.05Å
453S92.2Very high84.7Confident0 Ų045.7 Ų45.70%022%0.22CC..Hα-helixtrans-56.7-35.1174.2-8.30000111.4M415 D418 S450 Y457M415-S453 VanDerWaalsContact SD-CB 3.58Å; D418-S453 PolarHBondContact OD1-OG 2.89Å; S450-S453 PolarHBondContact N-OG 3.38Å; S450-S453 VanDerWaalsContact N-OG 3.12Å; S450-S453 PolarHBondContact O-N 3.34Å; S450-S453 PolarHBondContact OG-N 2.95Å; S450-S453 PolarHBondContact OG-OG 3.17Å; S453-Y457 WeakPolarHBondContact O-CB 3.39Å; S453-Y457 PolarHBondContact O-N 3.46Å
454K90.9Very high85.2Confident75 Ų7544.4 Ų44.433%0.32622%0.221SC..Hα-helixtrans-68.9-29.4172.8-178.1172.3162.2-164.20114.1L312 S450 E451 C452 I458L312-K454 HydrophobicContact CD2-CB 3.94Å; L312-K454 HydrophobicContact CD2-CD 4.07Å; L312-K454 HydrophobicContact CD2-CG 3.9Å; S450-K454 VanDerWaalsContact O-CB 3.26Å; S450-K454 WeakPolarHBondContact O-CB 3.3Å; S450-K454 PolarHBondContact O-N 3.08Å; E451-K454 IonicContact OE1-NZ 3.74Å; E451-K454 PolarHBondContact OE1-NZ 3.44Å; E451-K454 IonicContact OE2-NZ 2.62Å; E451-K454 PolarHBondContact OE2-NZ 3.19Å; C452-K454 PolarHBondContact O-N 3.47Å; K454-I458 HydrophobicContact CG-CD1 4.15Å; K454-I458 WeakPolarHBondContact O-CB 3.28Å; K454-I458 VanDerWaalsContact O-CD1 3.28Å; K454-I458 WeakPolarHBondContact O-CD1 3.18Å; K454-I458 WeakPolarHBondContact O-CG1 3.29Å; K454-I458 PolarHBondContact O-N 3.27Å
455K89.7Confident85.3Confident115 Ų11548.7 Ų48.750%0.524%0.24SC..Hα-helixtrans-74.3-51170.6-74.5-175.3-157.675.50110.6E451 C452 Y457 I458 D459E451-K455 WeakPolarHBondContact O-CG 3.42Å; E451-K455 PolarHBondContact O-NZ 3.23Å; C452-K455 WeakPolarHBondContact O-CA 3.38Å; C452-K455 WeakPolarHBondContact O-CB 3.29Å; C452-K455 PolarHBondContact O-N 3.46Å; K455-Y457 PolarHBondContact O-N 2.96Å; K455-I458 CarbonylContact O-C 3.57Å; K455-I458 WeakPolarHBondContact O-CA 3.39Å; K455-I458 PolarHBondContact O-N 3.09Å; K455-D459 PolarHBondContact O-N 3.16Å
456D91.5Very high85.3Confident35 Ų3548.5 Ų48.519%0.18724%0.239CC..Hα-helixtrans-46.6-49.2176-676.9000111M415 G416 R421 C452 D459 A460M415-D456 HydrophobicContact CG-CB 4.5Å; G416-D456 PolarHBondContact N-OD2 3.46Å; R421-D456 IonicContact CZ-OD1 3.77Å; R421-D456 IonicContact CZ-OD2 3.31Å; R421-D456 IonicContact NH1-OD1 2.71Å; R421-D456 PolarHBondContact NH1-OD1 3.11Å; R421-D456 IonicContact NH1-OD2 3.41Å; R421-D456 PolarHBondContact NH1-OD2 3.45Å; R421-D456 VanDerWaalsContact NH1-OD2 3.1Å; R421-D456 IonicContact NH2-OD1 2.73Å; R421-D456 IonicContact NH2-OD2 2.74Å; R421-D456 PolarHBondContact NH2-OD2 2.97Å; C452-D456 PolarHBondContact O-N 3.05Å; D456-D459 PolarHBondContact O-N 2.9Å; D456-A460 WeakPolarHBondContact O-CB 3.04Å; D456-A460 PolarHBondContact O-N 3.4Å
457Y91Very high85.2Confident7 Ų754.1 Ų54.13%0.02727%0.269CS..Hα-helixtrans-67.5-39.2178.4-178.9-126.6000113.9K270 L312 T314 I413 M415 S453 K455 D459 A460 L461 L469K270-Y457 HydrophobicContact CD-CE1 4.44Å; K270-Y457 WeakPolarHBondContact CG-OH 3.45Å; L312-Y457 HydrophobicContact CD1-CD1 4.45Å; T314-Y457 PolarHBondContact OG1-OH 3.41Å; I413-Y457 HydrophobicContact CB-CD2 4.06Å; I413-Y457 HydrophobicContact CB-CE2 4.11Å; I413-Y457 HydrophobicContact CD1-CD2 3.83Å; I413-Y457 HydrophobicContact CD1-CE2 3.92Å; I413-Y457 HydrophobicContact CD1-CG 4.41Å; I413-Y457 HydrophobicContact CG1-CD2 3.96Å; I413-Y457 HydrophobicContact CG1-CE2 4.3Å; M415-Y457 HydrophobicContact CE-CD1 4.42Å; M415-Y457 HydrophobicContact CE-CG 3.97Å; S453-Y457 WeakPolarHBondContact O-CB 3.39Å; S453-Y457 PolarHBondContact O-N 3.46Å; K455-Y457 PolarHBondContact O-N 2.96Å; Y457-D459 VanDerWaalsContact C-N 3.31Å; Y457-D459 PolarHBondContact O-N 3.38Å; Y457-A460 PolarHBondContact O-N 2.98Å; Y457-L461 HydrophobicContact CD1-CD1 4.19Å; Y457-L461 HydrophobicContact CD2-CG 4.43Å; Y457-L461 HydrophobicContact CE1-CD1 3.78Å; Y457-L461 HydrophobicContact CE2-CD1 4.12Å; Y457-L461 HydrophobicContact CE2-CD2 4.32Å; Y457-L461 HydrophobicContact CE2-CG 4.06Å; Y457-L461 VanDerWaalsContact O-CG 3.31Å; Y457-L461 WeakPolarHBondContact O-CG 3.29Å; Y457-L461 PolarHBondContact O-N 2.79Å; Y457-L469 HydrophobicContact CE2-CD1 4.07Å
458I87.4Confident85.3Confident29 Ų2954 Ų5415%0.14927%0.272CS..Hα-helixtrans-65.3-36.3175.1-74.6170.4000111.2R266 K454 K455 L461 R462R266-I458 HydrophobicContact CG-CD1 4.37Å; R266-I458 HydrophobicContact CG-CG1 4.13Å; R266-I458 HydrophobicContact CG-CG2 3.86Å; K454-I458 HydrophobicContact CG-CD1 4.15Å; K454-I458 WeakPolarHBondContact O-CB 3.28Å; K454-I458 VanDerWaalsContact O-CD1 3.28Å; K454-I458 WeakPolarHBondContact O-CD1 3.18Å; K454-I458 WeakPolarHBondContact O-CG1 3.29Å; K454-I458 PolarHBondContact O-N 3.27Å; K455-I458 CarbonylContact O-C 3.57Å; K455-I458 WeakPolarHBondContact O-CA 3.39Å; K455-I458 PolarHBondContact O-N 3.09Å; I458-L461 PolarHBondContact O-N 2.8Å; I458-R462 WeakPolarHBondContact O-CB 3.32Å; I458-R462 WeakPolarHBondContact O-CD 3.46Å; I458-R462 WeakPolarHBondContact O-CG 3.29Å; I458-R462 PolarHBondContact O-N 3.23Å
459D86Confident85.4Confident70 Ų7050.9 Ų50.937%0.37426%0.258SS..Hα-helixtrans-80.4-28.9-179.6-65.1-34.8000112.1K455 D456 Y457 R462 T463K455-D459 PolarHBondContact O-N 3.16Å; D456-D459 PolarHBondContact O-N 2.9Å; Y457-D459 VanDerWaalsContact C-N 3.31Å; Y457-D459 PolarHBondContact O-N 3.38Å; D459-R462 PolarHBondContact O-N 3.43Å; D459-R462 WeakPolarHBondContact OD1-CD 3.44Å; D459-R462 IonicContact OD1-CZ 3.05Å; D459-R462 IonicContact OD1-NE 2.62Å; D459-R462 IonicContact OD1-NH1 2.7Å; D459-R462 PolarHBondContact OD1-NH1 2.89Å; D459-T463 WeakPolarHBondContact O-CG2 3.23Å; D459-T463 PolarHBondContact O-N 2.94Å; D459-T463 VanDerWaalsContact O-N 3.08Å; D459-T463 PolarHBondContact O-OG1 3.3Å
460A85.1Confident85Confident13 Ų1353.3 Ų53.311%0.10727%0.272CS..Hα-helixtrans-61-49.7163.600000111.5D456 Y457 R462 T463 G464 H465D456-A460 WeakPolarHBondContact O-CB 3.04Å; D456-A460 PolarHBondContact O-N 3.4Å; Y457-A460 PolarHBondContact O-N 2.98Å; A460-R462 VanDerWaalsContact C-N 3.34Å; A460-R462 PolarHBondContact O-N 2.94Å; A460-T463 PolarHBondContact O-N 3.14Å; A460-T463 PolarHBondContact O-OG1 2.67Å; A460-G464 PolarHBondContact O-N 2.83Å; A460-H465 CarbonylContact C-O 3.37Å; A460-H465 HydrophobicContact CB-CB 4.39Å; A460-H465 WeakPolarHBondContact O-CA 3.47Å; A460-H465 WeakPolarHBondContact O-CB 3.47Å; A460-H465 PolarHBondContact O-N 3.37Å
461L85.2Confident84.4Confident13 Ų1356.2 Ų56.27%0.06829%0.287CS..Hα-helixtrans-59-42175.3-72.5169.5000112.3V265 K270 Y457 I458 T463 G464V265-L461 HydrophobicContact CG1-CB 4.12Å; V265-L461 HydrophobicContact CG1-CD2 4.25Å; K270-L461 HydrophobicContact CD-CD1 4.41Å; Y457-L461 HydrophobicContact CD1-CD1 4.19Å; Y457-L461 HydrophobicContact CD2-CG 4.43Å; Y457-L461 HydrophobicContact CE1-CD1 3.78Å; Y457-L461 HydrophobicContact CE2-CD1 4.12Å; Y457-L461 HydrophobicContact CE2-CD2 4.32Å; Y457-L461 HydrophobicContact CE2-CG 4.06Å; Y457-L461 VanDerWaalsContact O-CG 3.31Å; Y457-L461 WeakPolarHBondContact O-CG 3.29Å; Y457-L461 PolarHBondContact O-N 2.79Å; I458-L461 PolarHBondContact O-N 2.8Å; L461-T463 VanDerWaalsContact C-N 3.3Å; L461-T463 PolarHBondContact O-N 3.09Å; L461-G464 PolarHBondContact O-N 3.41Å
462R80.8Confident83.7Confident168 Ų16853.5 Ų53.563%0.63427%0.273SS*.Hα-helixtrans-64.7-29.6177.1-77.7161.9162.6179.1-8.7114.1I458 D459 A460 G464I458-R462 WeakPolarHBondContact O-CB 3.32Å; I458-R462 WeakPolarHBondContact O-CD 3.46Å; I458-R462 WeakPolarHBondContact O-CG 3.29Å; I458-R462 PolarHBondContact O-N 3.23Å; D459-R462 PolarHBondContact O-N 3.43Å; D459-R462 WeakPolarHBondContact OD1-CD 3.44Å; D459-R462 IonicContact OD1-CZ 3.05Å; D459-R462 IonicContact OD1-NE 2.62Å; D459-R462 IonicContact OD1-NH1 2.7Å; D459-R462 PolarHBondContact OD1-NH1 2.89Å; A460-R462 VanDerWaalsContact C-N 3.34Å; A460-R462 PolarHBondContact O-N 2.94Å; R462-G464 VanDerWaalsContact C-N 3.26Å
463T74.9Confident82.4Confident101 Ų10153.2 Ų53.262%0.6227%0.271SS*.THydrogen-bonded Turntrans-86.65.917749.60000113D459 A460 L461 H465D459-T463 WeakPolarHBondContact O-CG2 3.23Å; D459-T463 PolarHBondContact O-N 2.94Å; D459-T463 VanDerWaalsContact O-N 3.08Å; D459-T463 PolarHBondContact O-OG1 3.3Å; A460-T463 PolarHBondContact O-N 3.14Å; A460-T463 PolarHBondContact O-OG1 2.67Å; L461-T463 VanDerWaalsContact C-N 3.3Å; L461-T463 PolarHBondContact O-N 3.09Å; T463-H465 VanDerWaalsContact C-N 3.25Å; T463-H465 PolarHBondContact O-N 3.28Å
464G71.5Confident80.6Confident33 Ų3355.9 Ų55.934%0.3429%0.285SS..THydrogen-bonded Turntrans81.6-2.5-177.700000114.2A460 L461 R462 G466A460-G464 PolarHBondContact O-N 2.83Å; L461-G464 PolarHBondContact O-N 3.41Å; R462-G464 VanDerWaalsContact C-N 3.26Å; G464-G466 PolarHBondContact O-N 3.2Å
465H70.1Confident78.5Confident111 Ų11157.3 Ų57.351%0.51429%0.293SS..THydrogen-bonded Turntrans-77.172.7176-76.3-92.1000110.6A460 T463A460-H465 CarbonylContact C-O 3.37Å; A460-H465 HydrophobicContact CB-CB 4.39Å; A460-H465 WeakPolarHBondContact O-CA 3.47Å; A460-H465 WeakPolarHBondContact O-CB 3.47Å; A460-H465 PolarHBondContact O-N 3.37Å; T463-H465 VanDerWaalsContact C-N 3.25Å; T463-H465 PolarHBondContact O-N 3.28Å
466G74.9Confident76.2Confident2 Ų258.5 Ų58.52%0.02130%0.303CS..THydrogen-bonded Turntrans15716.5178.600000115.8G464 C468 L469G464-G466 PolarHBondContact O-N 3.2Å; G466-C468 VanDerWaalsContact C-N 3.28Å; G466-C468 PolarHBondContact O-N 2.72Å; G466-L469 VanDerWaalsContact O-CB 3.26Å; G466-L469 WeakPolarHBondContact O-CB 3.25Å; G466-L469 WeakPolarHBondContact O-CG 3.15Å; G466-L469 PolarHBondContact O-N 3.31Å
467L80.5Confident73.8Confident119 Ų11961.1 Ų61.162%0.62331%0.314SS*.G310 helixtrans-61.8-32.7-178.8-69.9170.3000113.5L469 L470L467-L469 PolarHBondContact O-N 3.17Å; L467-L469 VanDerWaalsContact O-N 3.13Å; L467-L470 HydrophobicContact CD2-CD1 4.19Å; L467-L470 WeakPolarHBondContact O-CB 3.44Å; L467-L470 PolarHBondContact O-N 3.04Å
468C87.5Confident71.5Confident24 Ų2465 Ų6516%0.16234%0.335CS..G310 helixtrans-63-12.4172.367.80000114.2D358 C382 G466 L470 N471D358-C468 VanDerWaalsContact CG-SG 3.6Å; D358-C468 VanDerWaalsContact OD1-CB 3.27Å; D358-C468 WeakPolarHBondContact OD1-CB 3.46Å; D358-C468 PolarHBondContact OD1-SG 3.44Å; C382-C468 WeakPolarHBondContact CA-SG 3.33Å; C382-C468 HydrophobicContact CB-CB 3.7Å; C382-C468 WeakPolarHBondContact CB-SG 3.29Å; C382-C468 WeakPolarHBondContact SG-CB 3.32Å; C382-C468 PolarHBondContact SG-N 2.85Å; C382-C468 VanDerWaalsContact SG-N 3.42Å; C382-C468 CovalentContact SG-SG 2.02Å; C382-C468 PolarHBondContact SG-SG 3.34Å; G466-C468 VanDerWaalsContact C-N 3.28Å; G466-C468 PolarHBondContact O-N 2.72Å; C468-L470 PolarHBondContact O-N 2.6Å; C468-N471 WeakPolarHBondContact CA-OD1 3.43Å; C468-N471 VanDerWaalsContact O-CG 3.28Å; C468-N471 PolarHBondContact O-ND2 3.44Å; C468-N471 PolarHBondContact O-OD1 3.14Å
469L88.9Confident69.7Low0 Ų066.4 Ų66.40%034%0.339CS..G310 helixtrans-86.75.8179.6-50.1-176.7000112.4K270 Y271 I272 D358 V381 I413 Y457 G466 L467K270-L469 CarbonylContact C-O 3.59Å; K270-L469 WeakPolarHBondContact CA-O 3.31Å; K270-L469 HydrophobicContact CB-CB 4.09Å; K270-L469 VanDerWaalsContact CB-O 3.3Å; K270-L469 WeakPolarHBondContact CB-O 3.26Å; K270-L469 HydrophobicContact CG-CB 4.21Å; Y271-L469 PolarHBondContact N-O 3.5Å; Y271-L469 WeakPolarHBondContact O-CA 3.48Å; Y271-L469 WeakPolarHBondContact O-CB 3.45Å; Y271-L469 VanDerWaalsContact O-CD2 3.27Å; Y271-L469 WeakPolarHBondContact O-CD2 3.27Å; I272-L469 HydrophobicContact CG1-CD2 4.12Å; D358-L469 HydrophobicContact CB-CD2 3.91Å; D358-L469 WeakPolarHBondContact OD2-CD2 3.44Å; V381-L469 HydrophobicContact CG2-CD1 4.22Å; V381-L469 HydrophobicContact CG2-CD2 3.72Å; V381-L469 HydrophobicContact CG2-CG 4.26Å; I413-L469 HydrophobicContact CG2-CD1 4.38Å; Y457-L469 HydrophobicContact CE2-CD1 4.07Å; G466-L469 VanDerWaalsContact O-CB 3.26Å; G466-L469 WeakPolarHBondContact O-CB 3.25Å; G466-L469 WeakPolarHBondContact O-CG 3.15Å; G466-L469 PolarHBondContact O-N 3.31Å; L467-L469 PolarHBondContact O-N 3.17Å; L467-L469 VanDerWaalsContact O-N 3.13Å
470L83.8Confident68.1Low70 Ų7070.5 Ų70.537%0.36635%0.349SS..SBendtrans-104-24.4-176.3-59.6178.2000113.5V265 A268 K270 L467 C468V265-L470 HydrophobicContact CG1-CD2 4.48Å; A268-L470 HydrophobicContact CB-CD2 4.45Å; K270-L470 HydrophobicContact CG-CD2 4.33Å; L467-L470 HydrophobicContact CD2-CD1 4.19Å; L467-L470 WeakPolarHBondContact O-CB 3.44Å; L467-L470 PolarHBondContact O-N 3.04Å; C468-L470 PolarHBondContact O-N 2.6Å
471N77.5Confident67.2Low67 Ų6772.5 Ų72.536%0.35836%0.358SS..SBendtrans-66.4143.1166.540.4-80.3000110.4Y271 E273 C468Y271-N471 WeakPolarHBondContact CD2-O 3.27Å; E273-N471 PolarHBondContact OE1-ND2 3.16Å; C468-N471 WeakPolarHBondContact CA-OD1 3.43Å; C468-N471 VanDerWaalsContact O-CG 3.28Å; C468-N471 PolarHBondContact O-ND2 3.44Å; C468-N471 PolarHBondContact O-OD1 3.14Å
472K75.2Confident66.7Low53 Ų5373.3 Ų73.323%0.2336%0.364CS..PPolyproline II helixtrans-88138.8172.4-178.9-175.1171.2-160.50109.5Q135 Y271 N474 E475Q135-K472 VanDerWaalsContact OE1-CE 3.31Å; Y271-K472 HydrophobicContact CD2-CB 4.26Å; Y271-K472 HydrophobicContact CE1-CG 4.11Å; Y271-K472 HydrophobicContact CE2-CB 3.92Å; Y271-K472 HydrophobicContact CE2-CG 4.13Å; K472-N474 PolarHBondContact O-N 2.92Å; K472-E475 HydrophobicContact CB-CB 3.98Å; K472-E475 WeakPolarHBondContact CB-OE2 3.36Å; K472-E475 VanDerWaalsContact O-CB 3.23Å; K472-E475 WeakPolarHBondContact O-CB 3.26Å; K472-E475 PolarHBondContact O-N 2.68Å
473P65.7Low66.5Low13 Ų1366.2 Ų66.28%0.08434%0.343CS..THydrogen-bonded Turntrans-56.7120.5-178-2632.2000113.3Y271 E273 S317 E475Y271-P473 VanDerWaalsContact CD1-CD 3.46Å; Y271-P473 HydrophobicContact CD1-CG 4.13Å; Y271-P473 VanDerWaalsContact CG-CD 3.47Å; Y271-P473 HydrophobicContact CG-CG 4.26Å; E273-P473 HydrophobicContact CG-CB 4.49Å; E273-P473 HydrophobicContact CG-CG 4.18Å; E273-P473 WeakPolarHBondContact OE1-CA 3.22Å; S317-P473 VanDerWaalsContact CB-CG 3.41Å; P473-E475 PolarHBondContact O-N 3.17Å
474N53.8Low66.9Low56 Ų5664.5 Ų64.530%0.29933%0.33SS..THydrogen-bonded Turntrans56.423.7-172-52.8-23.6000115.5S138 P139 N140 K472 I476S138-N474 WeakPolarHBondContact CB-ND2 3.5Å; S138-N474 PolarHBondContact OG-ND2 3.05Å; P139-N474 VanDerWaalsContact CD-ND2 3.29Å; P139-N474 WeakPolarHBondContact CD-ND2 3.42Å; P139-N474 VanDerWaalsContact N-ND2 3.11Å; N140-N474 PolarHBondContact N-ND2 2.8Å; K472-N474 PolarHBondContact O-N 2.92Å; N474-I476 PolarHBondContact O-N 2.94Å
475E48.3Very low67.4Low105 Ų10567.3 Ų67.349%0.49133%0.333SS..SBendtrans-65.292.9139.9-169.4157.6-127.300104.4K472 P473 E477K472-E475 HydrophobicContact CB-CB 3.98Å; K472-E475 WeakPolarHBondContact CB-OE2 3.36Å; K472-E475 VanDerWaalsContact O-CB 3.23Å; K472-E475 WeakPolarHBondContact O-CB 3.26Å; K472-E475 PolarHBondContact O-N 2.68Å; P473-E475 PolarHBondContact O-N 3.17Å; E475-E477 PolarHBondContact O-N 2.73Å
476I40.8Very low68.1Low139 Ų13964 Ų6471%0.71332%0.32SS*.  trans-46.5128.1-177.6-64.4166.9000106.6N474 L478N474-I476 PolarHBondContact O-N 2.94Å; I476-L478 PolarHBondContact O-N 3.28Å
477E41.4Very low68.4Low90 Ų9067.2 Ų67.242%0.42134%0.34SS..  trans-47110.1-177.6-66.8-164.1130.500108.6E475 R479 R480E475-E477 PolarHBondContact O-N 2.73Å; E477-R479 VanDerWaalsContact O-CA 3.26Å; E477-R479 WeakPolarHBondContact O-CA 3.47Å; E477-R479 PolarHBondContact O-N 3.25Å; E477-R480 VanDerWaalsContact CD-NE 3.26Å; E477-R480 IonicContact OE1-CZ 2.7Å; E477-R480 IonicContact OE1-NE 3.65Å; E477-R480 PolarHBondContact OE1-NE 2.87Å; E477-R480 IonicContact OE1-NH2 3.84Å; E477-R480 PolarHBondContact OE1-NH2 3.43Å; E477-R480 WeakPolarHBondContact OE2-CD 3.44Å; E477-R480 WeakPolarHBondContact OE2-CG 3.24Å; E477-R480 IonicContact OE2-CZ 2.78Å; E477-R480 IonicContact OE2-NE 2.82Å; E477-R480 PolarHBondContact OE2-NE 2.98Å; E477-R480 IonicContact OE2-NH1 2.78Å; E477-R480 IonicContact OE2-NH2 2.68Å; E477-R480 PolarHBondContact OE2-NH2 3.41Å
478L42.5Very low68.4Low88 Ų8864.6 Ų64.646%0.46132%0.324SS..SBendtrans-79.372.5-174-173.348.8000106I476 C482 I510 T511I476-L478 PolarHBondContact O-N 3.28Å; L478-C482 WeakPolarHBondContact O-CB 3.26Å; L478-I510 HydrophobicContact CD2-CG2 4.01Å; L478-I510 WeakPolarHBondContact CD2-O 3.46Å; L478-I510 VanDerWaalsContact CG-O 3.29Å; L478-I510 WeakPolarHBondContact CG-O 3.45Å; L478-T511 HydrophobicContact CD2-CG2 4.16Å
479R48.4Very low67.7Low60 Ų6073.1 Ų73.123%0.22636%0.362CS..  trans21142.6-135.6-58.6-156-17496.2-103.9118.4E477 N481 C482 E488 D490 E491E477-R479 VanDerWaalsContact O-CA 3.26Å; E477-R479 WeakPolarHBondContact O-CA 3.47Å; E477-R479 PolarHBondContact O-N 3.25Å; R479-N481 HydrophobicContact CB-CB 4.02Å; R479-N481 PolarHBondContact O-N 3.19Å; R479-C482 HydrophobicContact CB-CB 4.05Å; R479-C482 PolarHBondContact O-N 2.89Å; R479-E488 VanDerWaalsContact NH2-C 3.27Å; R479-E488 PolarHBondContact NH2-O 3.36Å; R479-D490 VanDerWaalsContact CZ-C 3.46Å; R479-D490 IonicContact CZ-OD2 3.4Å; R479-D490 IonicContact NE-OD2 3.91Å; R479-D490 PolarHBondContact NE-OD2 3.4Å; R479-D490 PolarHBondContact NH1-O 3.3Å; R479-D490 IonicContact NH1-OD2 3.18Å; R479-D490 PolarHBondContact NH1-OD2 2.96Å; R479-D490 IonicContact NH2-OD2 3.01Å; R479-D490 PolarHBondContact NH2-OD2 3.04Å; R479-E491 IonicContact CZ-OE1 3.32Å; R479-E491 VanDerWaalsContact NH2-CG 3.25Å; R479-E491 IonicContact NH2-OE1 3.17Å
480R53.1Low66.9Low156 Ų15678.9 Ų78.959%0.58939%0.392SS*.SBendtrans-57.7-5.6158.1-124171.8-147.7146.522.4113.9E356 E477E356-R480 IonicContact OE1-CZ 2.76Å; E356-R480 VanDerWaalsContact OE1-CZ 3.27Å; E356-R480 IonicContact OE1-NH1 3.04Å; E356-R480 PolarHBondContact OE1-NH1 3.14Å; E356-R480 IonicContact OE1-NH2 3.25Å; E356-R480 PolarHBondContact OE1-NH2 2.99Å; E356-R480 IonicContact OE2-CZ 2.78Å; E356-R480 IonicContact OE2-NH1 3.35Å; E356-R480 IonicContact OE2-NH2 2.91Å; E356-R480 PolarHBondContact OE2-NH2 3Å; E477-R480 VanDerWaalsContact CD-NE 3.26Å; E477-R480 IonicContact OE1-CZ 2.7Å; E477-R480 IonicContact OE1-NE 3.65Å; E477-R480 PolarHBondContact OE1-NE 2.87Å; E477-R480 IonicContact OE1-NH2 3.84Å; E477-R480 PolarHBondContact OE1-NH2 3.43Å; E477-R480 WeakPolarHBondContact OE2-CD 3.44Å; E477-R480 WeakPolarHBondContact OE2-CG 3.24Å; E477-R480 IonicContact OE2-CZ 2.78Å; E477-R480 IonicContact OE2-NE 2.82Å; E477-R480 PolarHBondContact OE2-NE 2.98Å; E477-R480 IonicContact OE2-NH1 2.78Å; E477-R480 IonicContact OE2-NH2 2.68Å; E477-R480 PolarHBondContact OE2-NH2 3.41Å
481N65.5Low66.8Low55 Ų5576.4 Ų76.429%0.29438%0.379SS..SBendtrans-121.6-27.6-167.9-56.560.4000110.7R479 G483 N484 E488R479-N481 HydrophobicContact CB-CB 4.02Å; R479-N481 PolarHBondContact O-N 3.19Å; N481-G483 PolarHBondContact O-N 3.23Å; N481-N484 WeakPolarHBondContact O-CB 3.22Å; N481-N484 PolarHBondContact O-N 2.93Å; N481-N484 PolarHBondContact O-ND2 2.82Å; N481-N484 PolarHBondContact O-OD1 2.73Å; N481-N484 VanDerWaalsContact O-OD1 3.09Å; N481-E488 VanDerWaalsContact CB-CD 3.47Å; N481-E488 WeakPolarHBondContact CB-OE1 3.34Å; N481-E488 WeakPolarHBondContact CB-OE2 3.07Å; N481-E488 VanDerWaalsContact ND2-CD 3.29Å; N481-E488 PolarHBondContact ND2-OE1 2.85Å; N481-E488 PolarHBondContact ND2-OE2 3.44Å; N481-E488 VanDerWaalsContact ND2-OE2 3.16Å
482C75Confident67.1Low30 Ų3077.6 Ų77.620%0.20338%0.382CS..THydrogen-bonded Turntrans-60.5124.1177.7172.50000110.5L478 R479 E491 C512L478-C482 WeakPolarHBondContact O-CB 3.26Å; R479-C482 HydrophobicContact CB-CB 4.05Å; R479-C482 PolarHBondContact O-N 2.89Å; C482-E491 WeakPolarHBondContact CB-OE1 3.07Å; C482-C512 WeakPolarHBondContact CA-SG 3.43Å; C482-C512 HydrophobicContact CB-CB 3.85Å; C482-C512 WeakPolarHBondContact CB-SG 3.36Å; C482-C512 WeakPolarHBondContact SG-CB 3.47Å; C482-C512 CovalentContact SG-SG 2.03Å; C482-C512 PolarHBondContact SG-SG 3.12Å
483G76.3Confident67.7Low19 Ų1975.1 Ų75.120%0.19637%0.372CS..THydrogen-bonded Turntrans94.28-172.800000114.2N481 D494 G496 T497N481-G483 PolarHBondContact O-N 3.23Å; G483-D494 WeakPolarHBondContact CA-OD1 3.38Å; G483-D494 WeakPolarHBondContact CA-OD2 3.44Å; G483-D494 VanDerWaalsContact N-CG 3.28Å; G483-D494 PolarHBondContact N-OD1 3.04Å; G483-D494 VanDerWaalsContact N-OD1 3.16Å; G483-D494 PolarHBondContact N-OD2 2.96Å; G483-G496 VanDerWaalsContact CA-C 3.47Å; G483-G496 WeakPolarHBondContact CA-O 3.02Å; G483-G496 CarbonylContact O-C 3.39Å; G483-G496 WeakPolarHBondContact O-CA 3.29Å; G483-T497 PolarHBondContact O-N 3.08Å
484N83.9Confident68.8Low64 Ų6475.2 Ų75.234%0.34237%0.372SS..SBendtrans-89.1-6.2171.676.78.2000113.2N481 V486 D494N481-N484 WeakPolarHBondContact O-CB 3.22Å; N481-N484 PolarHBondContact O-N 2.93Å; N481-N484 PolarHBondContact O-ND2 2.82Å; N481-N484 PolarHBondContact O-OD1 2.73Å; N481-N484 VanDerWaalsContact O-OD1 3.09Å; N484-V486 WeakPolarHBondContact OD1-CA 3.43Å; N484-V486 WeakPolarHBondContact OD1-CB 3.44Å; N484-V486 VanDerWaalsContact OD1-CG2 3.29Å; N484-V486 WeakPolarHBondContact OD1-CG2 3.21Å; N484-V486 PolarHBondContact OD1-N 3.17Å; N484-D494 PolarHBondContact N-OD2 2.89Å; N484-D494 PolarHBondContact OD1-OD2 2.77Å
485K82.7Confident70.4Confident92 Ų9273.5 Ų73.540%0.436%0.364SS..SBendtrans74.830.2-174.7-54.2169-174.8168.10114.3D494 E500K485-D494 WeakPolarHBondContact CA-OD2 3.37Å; K485-D494 VanDerWaalsContact N-CG 3.29Å; K485-D494 PolarHBondContact N-OD2 2.9Å; K485-E500 WeakPolarHBondContact CE-OE1 3.47Å; K485-E500 WeakPolarHBondContact CE-OE2 3.44Å; K485-E500 IonicContact NZ-OE1 2.78Å; K485-E500 PolarHBondContact NZ-OE1 3.14Å; K485-E500 IonicContact NZ-OE2 3Å; K485-E500 PolarHBondContact NZ-OE2 3.18Å
486V83.5Confident72.1Confident41 Ų4168.5 Ų68.525%0.24834%0.341CS..  trans-133.9107.3-178.3-172.20000109.9N484 E488 D494 Q1442N484-V486 WeakPolarHBondContact OD1-CA 3.43Å; N484-V486 WeakPolarHBondContact OD1-CB 3.44Å; N484-V486 VanDerWaalsContact OD1-CG2 3.29Å; N484-V486 WeakPolarHBondContact OD1-CG2 3.21Å; N484-V486 PolarHBondContact OD1-N 3.17Å; V486-E488 PolarHBondContact O-N 2.85Å; V486-D494 PolarHBondContact N-OD2 2.65Å; V486-Q1442 VanDerWaalsContact CG1-NE2 3.26Å
487V82.8Confident74Confident71 Ų7165.2 Ų65.243%0.4333%0.327SS..  trans-67.3113.2176.6-171.30000110E491 D494V487-E491 WeakPolarHBondContact CA-OE2 3.44Å; V487-E491 HydrophobicContact CG1-CB 3.82Å; V487-E491 WeakPolarHBondContact CG1-O 3.17Å; V487-D494 HydrophobicContact CG2-CB 4.43Å
488E80.2Confident75.6Confident63 Ų6366.1 Ų66.129%0.29433%0.33SS..  trans-98.7174.9178.8-69.8-177177.200113.5R479 N481 V486 D490 E491R479-E488 VanDerWaalsContact NH2-C 3.27Å; R479-E488 PolarHBondContact NH2-O 3.36Å; N481-E488 VanDerWaalsContact CB-CD 3.47Å; N481-E488 WeakPolarHBondContact CB-OE1 3.34Å; N481-E488 WeakPolarHBondContact CB-OE2 3.07Å; N481-E488 VanDerWaalsContact ND2-CD 3.29Å; N481-E488 PolarHBondContact ND2-OE1 2.85Å; N481-E488 PolarHBondContact ND2-OE2 3.44Å; N481-E488 VanDerWaalsContact ND2-OE2 3.16Å; V486-E488 PolarHBondContact O-N 2.85Å; E488-D490 VanDerWaalsContact C-N 3.25Å; E488-D490 PolarHBondContact O-N 3.45Å; E488-E491 PolarHBondContact N-OE2 3.34Å; E488-E491 VanDerWaalsContact N-OE2 3.13Å; E488-E491 WeakPolarHBondContact O-CB 3.43Å; E488-E491 PolarHBondContact O-N 2.94Å
489E72.6Confident77.4Confident204 Ų20466.9 Ų66.995%0.95333%0.331SS*.THydrogen-bonded Turntrans-58.3-20.5-161.8-63.3-169.6149.200117
490D71.2Confident78.9Confident120 Ų12067.9 Ų67.964%0.64234%0.338SS*.THydrogen-bonded Turntrans-113.416.3173.2-0.4-116.2000114.1R479 E488R479-D490 VanDerWaalsContact CZ-C 3.46Å; R479-D490 IonicContact CZ-OD2 3.4Å; R479-D490 IonicContact NE-OD2 3.91Å; R479-D490 PolarHBondContact NE-OD2 3.4Å; R479-D490 PolarHBondContact NH1-O 3.3Å; R479-D490 IonicContact NH1-OD2 3.18Å; R479-D490 PolarHBondContact NH1-OD2 2.96Å; R479-D490 IonicContact NH2-OD2 3.01Å; R479-D490 PolarHBondContact NH2-OD2 3.04Å; E488-D490 VanDerWaalsContact C-N 3.25Å; E488-D490 PolarHBondContact O-N 3.45Å
491E81.7Confident80.3Confident19 Ų1960.9 Ų60.99%0.08931%0.313CS..  trans-104.9153.4178.6-92.2163.7-159.400111.3R479 C482 V487 E488 C512R479-E491 IonicContact CZ-OE1 3.32Å; R479-E491 VanDerWaalsContact NH2-CG 3.25Å; R479-E491 IonicContact NH2-OE1 3.17Å; C482-E491 WeakPolarHBondContact CB-OE1 3.07Å; V487-E491 WeakPolarHBondContact CA-OE2 3.44Å; V487-E491 HydrophobicContact CG1-CB 3.82Å; V487-E491 WeakPolarHBondContact CG1-O 3.17Å; E488-E491 PolarHBondContact N-OE2 3.34Å; E488-E491 VanDerWaalsContact N-OE2 3.13Å; E488-E491 WeakPolarHBondContact O-CB 3.43Å; E488-E491 PolarHBondContact O-N 2.94Å; E491-C512 HydrophobicContact CG-CB 3.51Å
492E84.9Confident80.9Confident91 Ų9161.7 Ų61.743%0.42533%0.327SS..SBendtrans-107.7-22.1176-57.9154.1-157.400111.5C512 K513 L514E492-C512 PolarHBondContact N-O 3.06Å; E492-C512 VanDerWaalsContact N-O 3.08Å; E492-K513 IonicContact OE1-NZ 3.92Å; E492-K513 PolarHBondContact OE1-NZ 3.1Å; E492-K513 WeakPolarHBondContact OE2-CB 3.14Å; E492-L514 HydrophobicContact CB-CD1 4.33Å; E492-L514 HydrophobicContact CB-CG 3.94Å; E492-L514 PolarHBondContact OE2-N 2.91Å
493C87.9Confident81.1Confident1 Ų167.7 Ų67.71%0.00736%0.357CS..  trans-165.3150.4175.958.80000111C507 C512 K513 L514 A521C493-C507 HydrophobicContact CB-CB 3.75Å; C493-C507 WeakPolarHBondContact CB-SG 3.21Å; C493-C507 PolarHBondContact O-SG 3.35Å; C493-C507 WeakPolarHBondContact SG-CA 3.33Å; C493-C507 WeakPolarHBondContact SG-CB 3.23Å; C493-C507 CovalentContact SG-SG 2.03Å; C493-C507 PolarHBondContact SG-SG 3.11Å; C493-C512 PolarHBondContact N-O 3.24Å; C493-C512 CarbonylContact O-C 3.51Å; C493-C512 VanDerWaalsContact O-C 3.23Å; C493-C512 WeakPolarHBondContact O-CA 3.26Å; C493-C512 WeakPolarHBondContact O-CB 3.34Å; C493-C512 VanDerWaalsContact O-O 3.12Å; C493-K513 PolarHBondContact SG-O 3.47Å; C493-L514 HydrophobicContact CB-CD2 4.15Å; C493-A521 HydrophobicContact CB-CB 3.58Å
494D88.6Confident81.3Confident15 Ų1568.7 Ų68.78%0.0836%0.357CS..  trans-134.1124.7165.3-174.1-9.4000108.8G483 N484 K485 V486 V487 G496G483-D494 WeakPolarHBondContact CA-OD1 3.38Å; G483-D494 WeakPolarHBondContact CA-OD2 3.44Å; G483-D494 VanDerWaalsContact N-CG 3.28Å; G483-D494 PolarHBondContact N-OD1 3.04Å; G483-D494 VanDerWaalsContact N-OD1 3.16Å; G483-D494 PolarHBondContact N-OD2 2.96Å; N484-D494 PolarHBondContact N-OD2 2.89Å; N484-D494 PolarHBondContact OD1-OD2 2.77Å; K485-D494 WeakPolarHBondContact CA-OD2 3.37Å; K485-D494 VanDerWaalsContact N-CG 3.29Å; K485-D494 PolarHBondContact N-OD2 2.9Å; V486-D494 PolarHBondContact N-OD2 2.65Å; V487-D494 HydrophobicContact CG2-CB 4.43Å; D494-G496 PolarHBondContact OD1-N 3.21Å
495C87.1Confident81.4Confident21 Ų2171.8 Ų71.814%0.14237%0.37CS..  trans-107.85.4-175.143.40000112.7C501 D504 C507 G509C495-C501 HydrophobicContact CB-CB 3.64Å; C495-C501 WeakPolarHBondContact CB-SG 3.42Å; C495-C501 WeakPolarHBondContact SG-CB 3.42Å; C495-C501 CovalentContact SG-SG 2.01Å; C495-C501 PolarHBondContact SG-SG 2.96Å; C495-D504 HydrophobicContact CB-CB 3.88Å; C495-D504 WeakPolarHBondContact CB-OD2 3.47Å; C495-C507 HydrophobicContact CB-CB 3.97Å; C495-C507 VanDerWaalsContact SG-SG 3.62Å; C495-G509 VanDerWaalsContact SG-CA 3.57Å
496G84.4Confident81.9Confident0 Ų067.8 Ų67.80%035%0.354CS..SBendtrans84.7-165-171.200000112.5G483 D494G483-G496 VanDerWaalsContact CA-C 3.47Å; G483-G496 WeakPolarHBondContact CA-O 3.02Å; G483-G496 CarbonylContact O-C 3.39Å; G483-G496 WeakPolarHBondContact O-CA 3.29Å; D494-G496 PolarHBondContact OD1-N 3.21Å
497T80.2Confident82.2Confident70 Ų7065.9 Ų65.943%0.42934%0.342SS..SBendtrans-57153.8-175.7610000111.6G483 E499 E500 C501G483-T497 PolarHBondContact O-N 3.08Å; T497-E499 PolarHBondContact O-N 3.18Å; T497-E500 PolarHBondContact N-OE2 3.04Å; T497-E500 WeakPolarHBondContact O-CA 3.49Å; T497-E500 WeakPolarHBondContact O-CB 3.3Å; T497-E500 PolarHBondContact O-N 2.98Å; T497-E500 WeakPolarHBondContact OG1-CG 3.13Å; T497-E500 PolarHBondContact OG1-OE2 2.84Å; T497-C501 PolarHBondContact O-N 3.24Å
498F76.1Confident82.3Confident109 Ų10964.8 Ų64.848%0.47833%0.334SS..Hα-helixtrans-48-30177.5178.8-97000114.2A502 I510F498-A502 PolarHBondContact O-N 3.48Å; F498-I510 HydrophobicContact CD2-CD1 4.25Å; F498-I510 HydrophobicContact CD2-CG1 3.6Å; F498-I510 HydrophobicContact CE2-CD1 3.81Å; F498-I510 HydrophobicContact CE2-CG1 3.65Å
499E78.3Confident82.3Confident104 Ų10462.4 Ų62.449%0.48633%0.326SS..Hα-helixtrans-76.7-28.1176.1-76.6-142.5-145.800114.5R260 T497R260-E499 WeakPolarHBondContact CD-OE2 3.13Å; R260-E499 IonicContact CZ-OE2 2.93Å; R260-E499 PolarHBondContact NH1-O 3.48Å; R260-E499 IonicContact NH1-OE2 2.88Å; R260-E499 PolarHBondContact NH1-OE2 3.05Å; R260-E499 PolarHBondContact NH2-O 2.88Å; T497-E499 PolarHBondContact O-N 3.18Å
500E80.5Confident82.5Confident80 Ų8057.2 Ų57.237%0.37430%0.304SS..Hα-helixtrans-83.1-45174.4-64.6170.8116.300110.2K485 T497 A502 L503K485-E500 WeakPolarHBondContact CE-OE1 3.47Å; K485-E500 WeakPolarHBondContact CE-OE2 3.44Å; K485-E500 IonicContact NZ-OE1 2.78Å; K485-E500 PolarHBondContact NZ-OE1 3.14Å; K485-E500 IonicContact NZ-OE2 3Å; K485-E500 PolarHBondContact NZ-OE2 3.18Å; T497-E500 PolarHBondContact N-OE2 3.04Å; T497-E500 WeakPolarHBondContact O-CA 3.49Å; T497-E500 WeakPolarHBondContact O-CB 3.3Å; T497-E500 PolarHBondContact O-N 2.98Å; T497-E500 WeakPolarHBondContact OG1-CG 3.13Å; T497-E500 PolarHBondContact OG1-OE2 2.84Å; E500-A502 PolarHBondContact O-N 3.48Å; E500-L503 WeakPolarHBondContact O-CB 3.39Å; E500-L503 PolarHBondContact O-N 3.36Å
501C83Confident82.8Confident9 Ų953.9 Ų53.96%0.06129%0.288CS..Hα-helixtrans-61.9-15.8178.2-1610000114.3C495 T497 L503 D504 G509C495-C501 HydrophobicContact CB-CB 3.64Å; C495-C501 WeakPolarHBondContact CB-SG 3.42Å; C495-C501 WeakPolarHBondContact SG-CB 3.42Å; C495-C501 CovalentContact SG-SG 2.01Å; C495-C501 PolarHBondContact SG-SG 2.96Å; T497-C501 PolarHBondContact O-N 3.24Å; C501-L503 PolarHBondContact O-N 2.88Å; C501-D504 PolarHBondContact O-N 2.97Å; C501-G509 WeakPolarHBondContact SG-CA 3.4Å; C501-G509 PolarHBondContact SG-N 2.94Å
502A77.8Confident83Confident72 Ų7253 Ų5360%0.59528%0.284SS*.THydrogen-bonded Turntrans-61.5-8.416900000114.1F498 E500F498-A502 PolarHBondContact O-N 3.48Å; E500-A502 PolarHBondContact O-N 3.48Å
503L79.3Confident83.1Confident157 Ų15753.1 Ų53.182%0.82228%0.283SS*.THydrogen-bonded Turntrans-95.9-16.6168.5-68.5162.2000113.3E500 C501E500-L503 WeakPolarHBondContact O-CB 3.39Å; E500-L503 PolarHBondContact O-N 3.36Å; C501-L503 PolarHBondContact O-N 2.88Å
504D81.3Confident83.1Confident39 Ų3955.2 Ų55.221%0.20929%0.294CS..  trans-87.2110.3-179.3-169.6-29.2000110.3C495 C501 C506 C507 K515C495-D504 HydrophobicContact CB-CB 3.88Å; C495-D504 WeakPolarHBondContact CB-OD2 3.47Å; C501-D504 PolarHBondContact O-N 2.97Å; D504-C506 VanDerWaalsContact C-N 3.26Å; D504-C506 PolarHBondContact O-N 3.27Å; D504-C506 VanDerWaalsContact OD1-CA 3.3Å; D504-C506 WeakPolarHBondContact OD1-CA 3.45Å; D504-C506 VanDerWaalsContact OD1-CB 3.27Å; D504-C506 WeakPolarHBondContact OD1-CB 3.35Å; D504-C506 PolarHBondContact OD1-N 2.88Å; D504-C507 PolarHBondContact OD1-N 3.5Å; D504-C507 WeakPolarHBondContact OD2-CB 3.31Å; D504-K515 PolarHBondContact O-NZ 2.9Å
505Q85.9Confident83Confident130 Ų13058.4 Ų58.461%0.60731%0.307SS*.SBendtrans-71.5-18.9176.243.7166.775.900113.2K515 C529Q505-K515 PolarHBondContact O-NZ 3.46Å; Q505-C529 PolarHBondContact NE2-SG 3.32Å
506C91.8Very high82.8Confident8 Ų863.5 Ų63.55%0.05434%0.343CS..SBendtrans-99.7-43.1-169.5-44.40000114.1D504 K515 A518 C520 A521 C529D504-C506 VanDerWaalsContact C-N 3.26Å; D504-C506 PolarHBondContact O-N 3.27Å; D504-C506 VanDerWaalsContact OD1-CA 3.3Å; D504-C506 WeakPolarHBondContact OD1-CA 3.45Å; D504-C506 VanDerWaalsContact OD1-CB 3.27Å; D504-C506 WeakPolarHBondContact OD1-CB 3.35Å; D504-C506 PolarHBondContact OD1-N 2.88Å; C506-K515 WeakPolarHBondContact O-CG 3.48Å; C506-K515 PolarHBondContact O-N 3.12Å; C506-A518 HydrophobicContact CB-CB 4.12Å; C506-C520 WeakPolarHBondContact CB-O 3.39Å; C506-A521 HydrophobicContact CB-CB 3.65Å; C506-C529 WeakPolarHBondContact CA-SG 3.46Å; C506-C529 HydrophobicContact CB-CB 3.69Å; C506-C529 WeakPolarHBondContact CB-SG 3.45Å; C506-C529 PolarHBondContact N-SG 2.87Å; C506-C529 VanDerWaalsContact N-SG 3.43Å; C506-C529 WeakPolarHBondContact SG-CA 3.35Å; C506-C529 WeakPolarHBondContact SG-CB 3.26Å; C506-C529 PolarHBondContact SG-N 3.2Å; C506-C529 VanDerWaalsContact SG-N 3.45Å; C506-C529 CovalentContact SG-SG 2.03Å; C506-C529 PolarHBondContact SG-SG 3.44Å
507C90Very high82.7Confident1 Ų172.3 Ų72.31%0.00738%0.384CS..EExtended strand (participates in β ladder)trans-93.5144.5-176.6-163.40000112.9C493 C495 D504 K515 A521C493-C507 HydrophobicContact CB-CB 3.75Å; C493-C507 WeakPolarHBondContact CB-SG 3.21Å; C493-C507 PolarHBondContact O-SG 3.35Å; C493-C507 WeakPolarHBondContact SG-CA 3.33Å; C493-C507 WeakPolarHBondContact SG-CB 3.23Å; C493-C507 CovalentContact SG-SG 2.03Å; C493-C507 PolarHBondContact SG-SG 3.11Å; C495-C507 HydrophobicContact CB-CB 3.97Å; C495-C507 VanDerWaalsContact SG-SG 3.62Å; D504-C507 PolarHBondContact OD1-N 3.5Å; D504-C507 WeakPolarHBondContact OD2-CB 3.31Å; C507-K515 WeakPolarHBondContact O-CE 3.28Å; C507-K515 PolarHBondContact O-NZ 3.43Å; C507-A521 HydrophobicContact CB-CB 3.98Å
508D86Confident83.1Confident48 Ų4869.9 Ų69.926%0.25737%0.371SS..EExtended strand (participates in β ladder)trans-93.5102.7166.6174.332.2000111.1I510 T511 C512 K513 K515D508-I510 PolarHBondContact O-N 2.96Å; D508-I510 PolarHBondContact OD1-N 3.45Å; D508-T511 PolarHBondContact O-N 3.43Å; D508-T511 WeakPolarHBondContact OD2-CB 3.24Å; D508-T511 VanDerWaalsContact OD2-CG2 3.3Å; D508-T511 WeakPolarHBondContact OD2-CG2 3.49Å; D508-T511 PolarHBondContact OD2-N 3.16Å; D508-T511 PolarHBondContact OD2-OG1 3.45Å; D508-C512 PolarHBondContact O-N 2.76Å; D508-K513 PolarHBondContact N-O 2.69Å; D508-K515 HydrophobicContact CB-CG 4.41Å
509G80.1Confident83.7Confident12 Ų1270.2 Ų70.212%0.12437%0.374CS..THydrogen-bonded Turntrans-73.619.8178.100000115.5C495 C501C495-G509 VanDerWaalsContact SG-CA 3.57Å; C501-G509 WeakPolarHBondContact SG-CA 3.4Å; C501-G509 PolarHBondContact SG-N 2.94Å
510I76.4Confident84.3Confident95 Ų9565.7 Ų65.749%0.48735%0.354SS..THydrogen-bonded Turntrans-98-44.1155.4-60.3-178.9000110.1L478 F498 D508L478-I510 HydrophobicContact CD2-CG2 4.01Å; L478-I510 WeakPolarHBondContact CD2-O 3.46Å; L478-I510 VanDerWaalsContact CG-O 3.29Å; L478-I510 WeakPolarHBondContact CG-O 3.45Å; F498-I510 HydrophobicContact CD2-CD1 4.25Å; F498-I510 HydrophobicContact CD2-CG1 3.6Å; F498-I510 HydrophobicContact CE2-CD1 3.81Å; F498-I510 HydrophobicContact CE2-CG1 3.65Å; D508-I510 PolarHBondContact O-N 2.96Å; D508-I510 PolarHBondContact OD1-N 3.45Å
511T77.7Confident84.6Confident50 Ų5062.9 Ų62.931%0.30734%0.344SS..THydrogen-bonded Turntrans-106.7-9.1-168.258.70000115.6L478 D508 K513L478-T511 HydrophobicContact CD2-CG2 4.16Å; D508-T511 PolarHBondContact O-N 3.43Å; D508-T511 WeakPolarHBondContact OD2-CB 3.24Å; D508-T511 VanDerWaalsContact OD2-CG2 3.3Å; D508-T511 WeakPolarHBondContact OD2-CG2 3.49Å; D508-T511 PolarHBondContact OD2-N 3.16Å; D508-T511 PolarHBondContact OD2-OG1 3.45Å; T511-K513 PolarHBondContact O-N 2.96Å
512C85.7Confident84.8Confident1 Ų165.7 Ų65.71%0.00736%0.364CS..THydrogen-bonded Turntrans51.339.8-171.6-70.30000113.2C482 E491 E492 C493 D508C482-C512 WeakPolarHBondContact CA-SG 3.43Å; C482-C512 HydrophobicContact CB-CB 3.85Å; C482-C512 WeakPolarHBondContact CB-SG 3.36Å; C482-C512 WeakPolarHBondContact SG-CB 3.47Å; C482-C512 CovalentContact SG-SG 2.03Å; C482-C512 PolarHBondContact SG-SG 3.12Å; E491-C512 HydrophobicContact CG-CB 3.51Å; E492-C512 PolarHBondContact N-O 3.06Å; E492-C512 VanDerWaalsContact N-O 3.08Å; C493-C512 PolarHBondContact N-O 3.24Å; C493-C512 CarbonylContact O-C 3.51Å; C493-C512 VanDerWaalsContact O-C 3.23Å; C493-C512 WeakPolarHBondContact O-CA 3.26Å; C493-C512 WeakPolarHBondContact O-CB 3.34Å; C493-C512 VanDerWaalsContact O-O 3.12Å; D508-C512 PolarHBondContact O-N 2.76Å
513K86.3Confident85.2Confident93 Ų9363.7 Ų63.740%0.40435%0.35SS..EExtended strand (participates in β ladder)trans-121.5156.1175.9-72.5-176166.2-73.70111.7E492 C493 D508 T511E492-K513 IonicContact OE1-NZ 3.92Å; E492-K513 PolarHBondContact OE1-NZ 3.1Å; E492-K513 WeakPolarHBondContact OE2-CB 3.14Å; C493-K513 PolarHBondContact SG-O 3.47Å; D508-K513 PolarHBondContact N-O 2.69Å; T511-K513 PolarHBondContact O-N 2.96Å
514L88Confident85.7Confident45 Ų4558.4 Ų58.424%0.23633%0.329CS..EExtended strand (participates in β ladder)trans-69.3136.5175.2-68172.6000110E492 C493 A518 A521E492-L514 HydrophobicContact CB-CD1 4.33Å; E492-L514 HydrophobicContact CB-CG 3.94Å; E492-L514 PolarHBondContact OE2-N 2.91Å; C493-L514 HydrophobicContact CB-CD2 4.15Å; L514-A518 HydrophobicContact CB-CB 4.32Å; L514-A518 HydrophobicContact CD2-CB 4.24Å; L514-A521 HydrophobicContact CD2-CB 3.79Å
515K87.5Confident86.3Confident82 Ų8256.6 Ų56.636%0.35732%0.319SS..  trans-63.6150.6169.1-60.6-168.4-164.877.60109.1D504 Q505 C506 C507 D508 E517 A518D504-K515 PolarHBondContact O-NZ 2.9Å; Q505-K515 PolarHBondContact O-NZ 3.46Å; C506-K515 WeakPolarHBondContact O-CG 3.48Å; C506-K515 PolarHBondContact O-N 3.12Å; C507-K515 WeakPolarHBondContact O-CE 3.28Å; C507-K515 PolarHBondContact O-NZ 3.43Å; D508-K515 HydrophobicContact CB-CG 4.41Å; K515-E517 PolarHBondContact O-N 2.79Å; K515-A518 WeakPolarHBondContact O-CB 3.4Å; K515-A518 PolarHBondContact O-N 3.14Å
516S83.2Confident86.6Confident129 Ų12951.1 Ų51.190%0.90230%0.295SS*.THydrogen-bonded Turntrans-59.8-6.4-17057.20000117.4
517E82.7Confident86.6Confident185 Ų18554 Ų5486%0.86431%0.31SS*.THydrogen-bonded Turntrans-113.12.8175.8-63.8-173.3-129.700113.1K515K515-E517 PolarHBondContact O-N 2.79Å
518A87.5Confident86.5Confident18 Ų1861.1 Ų61.115%0.14934%0.344CS..  trans-100.3140-179.900000111.8C506 L514 K515 C529C506-A518 HydrophobicContact CB-CB 4.12Å; L514-A518 HydrophobicContact CB-CB 4.32Å; L514-A518 HydrophobicContact CD2-CB 4.24Å; K515-A518 WeakPolarHBondContact O-CB 3.4Å; K515-A518 PolarHBondContact O-N 3.14Å; A518-C529 HydrophobicContact CB-CB 3.74Å
519Q89.6Confident86.7Confident117 Ų11759.4 Ų59.455%0.54734%0.335SS..SBendtrans-102-18.3172.6-58.1177.7-56.600112.2C529 L531Q519-C529 PolarHBondContact N-O 3.25Å; Q519-L531 HydrophobicContact CB-CD1 4.31Å; Q519-L531 HydrophobicContact CB-CG 4Å
520C90.8Very high87.2Confident9 Ų967.2 Ų67.26%0.06136%0.361CS..  trans-159.6165.1178.657.70000108.8C506 C526 C529 R530 L531C506-C520 WeakPolarHBondContact CB-O 3.39Å; C520-C526 HydrophobicContact CB-CB 3.83Å; C520-C526 WeakPolarHBondContact CB-SG 3.49Å; C520-C526 WeakPolarHBondContact SG-CA 3.2Å; C520-C526 WeakPolarHBondContact SG-CB 3.21Å; C520-C526 CovalentContact SG-SG 2.04Å; C520-C526 PolarHBondContact SG-SG 2.7Å; C520-C529 WeakPolarHBondContact O-CA 3.25Å; C520-R530 PolarHBondContact SG-O 2.72Å; C520-L531 HydrophobicContact CB-CD2 3.93Å
521A87Confident87.9Confident21 Ų2164.7 Ų64.717%0.17435%0.348CS..SBendtrans-123.1-40.8171.400000113C493 C506 C507 L514C493-A521 HydrophobicContact CB-CB 3.58Å; C506-A521 HydrophobicContact CB-CB 3.65Å; C507-A521 HydrophobicContact CB-CB 3.98Å; L514-A521 HydrophobicContact CD2-CB 3.79Å
522S85.9Confident88.6Confident67 Ų6764.8 Ų64.847%0.46934%0.343SS..SBendtrans-126.7168.9-174.359.70000112.3G556S522-G556 CarbonylContact O-C 3.59Å
523G86.9Confident88.9Confident30 Ų3069.2 Ų69.231%0.30937%0.372SS..SBendtrans95.6157.6178.800000114.4C525 C526 G556G523-C525 PolarHBondContact O-N 3.02Å; G523-C526 WeakPolarHBondContact O-CB 3.46Å; G523-C526 PolarHBondContact O-N 2.73Å; G523-G556 CarbonylContact C-O 3.51Å; G523-G556 VanDerWaalsContact CA-O 3.25Å; G523-G556 WeakPolarHBondContact CA-O 3.35Å
524A90.1Very high89Confident46 Ų4671.3 Ų71.338%0.3838%0.381SS..THydrogen-bonded Turntrans-68.4-19.8-17500000113.7C526 R532 C538 C558A524-C526 VanDerWaalsContact C-N 3.31Å; A524-R532 VanDerWaalsContact O-CD 3.32Å; A524-R532 WeakPolarHBondContact O-CD 3.4Å; A524-R532 PolarHBondContact O-NE 3.38Å; A524-C538 HydrophobicContact CB-CB 4.02Å; A524-C558 HydrophobicContact CB-CB 4.36Å
525C94Very high88.9Confident1 Ų174.6 Ų74.61%0.00740%0.398CS..THydrogen-bonded Turntrans-88.77.4173.4-65.40000113.4G523 R532 C538 C551 I555 G556G523-C525 PolarHBondContact O-N 3.02Å; C525-R532 WeakPolarHBondContact O-CG 3.09Å; C525-R532 PolarHBondContact O-N 2.94Å; C525-C538 WeakPolarHBondContact SG-CB 3.38Å; C525-C538 VanDerWaalsContact SG-SG 3.67Å; C525-C551 WeakPolarHBondContact CA-SG 3.42Å; C525-C551 HydrophobicContact CB-CB 3.8Å; C525-C551 WeakPolarHBondContact CB-SG 3.28Å; C525-C551 WeakPolarHBondContact SG-CA 3.43Å; C525-C551 WeakPolarHBondContact SG-CB 3.33Å; C525-C551 CovalentContact SG-SG 2.03Å; C525-C551 PolarHBondContact SG-SG 3.19Å; C525-I555 WeakPolarHBondContact CB-O 3.49Å; C525-G556 CarbonylContact C-O 3.13Å; C525-G556 VanDerWaalsContact C-O 3.26Å; C525-G556 VanDerWaalsContact CA-O 3.24Å; C525-G556 WeakPolarHBondContact CA-O 3.34Å; C525-G556 VanDerWaalsContact CB-O 3.3Å; C525-G556 WeakPolarHBondContact CB-O 3.28Å; C525-G556 PolarHBondContact N-O 3Å
526C92.4Very high89.1Confident15 Ų1575.7 Ų75.710%0.10140%0.401CS..EExtended strand (participates in β ladder)trans-101.5140.7168.8-159.70000111.3C520 G523 A524 R532 G556C520-C526 HydrophobicContact CB-CB 3.83Å; C520-C526 WeakPolarHBondContact CB-SG 3.49Å; C520-C526 WeakPolarHBondContact SG-CA 3.2Å; C520-C526 WeakPolarHBondContact SG-CB 3.21Å; C520-C526 CovalentContact SG-SG 2.04Å; C520-C526 PolarHBondContact SG-SG 2.7Å; G523-C526 WeakPolarHBondContact O-CB 3.46Å; G523-C526 PolarHBondContact O-N 2.73Å; A524-C526 VanDerWaalsContact C-N 3.31Å; C526-R532 PolarHBondContact O-NH2 3.48Å; C526-G556 PolarHBondContact N-O 3.17Å; C526-G556 VanDerWaalsContact N-O 3.15Å
527D90.9Very high89.4Confident68 Ų6873 Ų7336%0.36438%0.376SS..EExtended strand (participates in β ladder)trans-144.6122.5170.3-155.5-19.3000109.7C529 R530 R532D527-C529 VanDerWaalsContact C-N 3.26Å; D527-C529 PolarHBondContact O-N 2.68Å; D527-C529 VanDerWaalsContact O-N 3.17Å; D527-R530 PolarHBondContact N-O 3.2Å; D527-R530 PolarHBondContact O-N 3.16Å; D527-R532 HydrophobicContact CB-CG 4.25Å; D527-R532 VanDerWaalsContact CG-NH2 3.25Å; D527-R532 IonicContact OD1-NH2 3.85Å; D527-R532 IonicContact OD2-CZ 3.6Å; D527-R532 IonicContact OD2-NH1 3.94Å; D527-R532 PolarHBondContact OD2-NH1 3.35Å; D527-R532 IonicContact OD2-NH2 2.87Å; D527-R532 PolarHBondContact OD2-NH2 2.79Å
528Q87.4Confident89.9Confident152 Ų15265.2 Ų65.271%0.7134%0.342SS*.THydrogen-bonded Turntrans48.544179.5-61171.832.500113.9R530Q528-R530 VanDerWaalsContact C-N 3.26Å; Q528-R530 PolarHBondContact O-N 3.5Å
529C90.6Very high90.1Very high12 Ų1267 Ų678%0.08135%0.345CS..THydrogen-bonded Turntrans67.213-175.9-41.20000116.3Q505 C506 A518 Q519 C520 D527Q505-C529 PolarHBondContact NE2-SG 3.32Å; C506-C529 WeakPolarHBondContact CA-SG 3.46Å; C506-C529 HydrophobicContact CB-CB 3.69Å; C506-C529 WeakPolarHBondContact CB-SG 3.45Å; C506-C529 PolarHBondContact N-SG 2.87Å; C506-C529 VanDerWaalsContact N-SG 3.43Å; C506-C529 WeakPolarHBondContact SG-CA 3.35Å; C506-C529 WeakPolarHBondContact SG-CB 3.26Å; C506-C529 PolarHBondContact SG-N 3.2Å; C506-C529 VanDerWaalsContact SG-N 3.45Å; C506-C529 CovalentContact SG-SG 2.03Å; C506-C529 PolarHBondContact SG-SG 3.44Å; A518-C529 HydrophobicContact CB-CB 3.74Å; Q519-C529 PolarHBondContact N-O 3.25Å; C520-C529 WeakPolarHBondContact O-CA 3.25Å; D527-C529 VanDerWaalsContact C-N 3.26Å; D527-C529 PolarHBondContact O-N 2.68Å; D527-C529 VanDerWaalsContact O-N 3.17Å
530R91.1Very high90.2Very high176 Ų17667 Ų6766%0.66435%0.348SS*.EExtended strand (participates in β ladder)trans-118.8148.2179-63.4-179.3177.7-173.3-2.2110.6C520 D527 Q528C520-R530 PolarHBondContact SG-O 2.72Å; D527-R530 PolarHBondContact N-O 3.2Å; D527-R530 PolarHBondContact O-N 3.16Å; Q528-R530 VanDerWaalsContact C-N 3.26Å; Q528-R530 PolarHBondContact O-N 3.5Å
531L91.7Very high90.1Very high42 Ų4269.4 Ų69.422%0.2237%0.365CS..EExtended strand (participates in β ladder)trans-68.2133.8174.7-64.7169.7000109.4Q519 C520 I555 G556Q519-L531 HydrophobicContact CB-CD1 4.31Å; Q519-L531 HydrophobicContact CB-CG 4Å; C520-L531 HydrophobicContact CB-CD2 3.93Å; L531-I555 VanDerWaalsContact CD2-C 3.4Å; L531-G556 VanDerWaalsContact CD2-N 3.32Å
532R92.1Very high90Very high51 Ų5174.3 Ų74.319%0.19239%0.388CS..PPolyproline II helixtrans-62.1148.9168.3-70.9-166.9-171.5-73-14.9109.1A524 C525 C526 D527 Y536A524-R532 VanDerWaalsContact O-CD 3.32Å; A524-R532 WeakPolarHBondContact O-CD 3.4Å; A524-R532 PolarHBondContact O-NE 3.38Å; C525-R532 WeakPolarHBondContact O-CG 3.09Å; C525-R532 PolarHBondContact O-N 2.94Å; C526-R532 PolarHBondContact O-NH2 3.48Å; D527-R532 HydrophobicContact CB-CG 4.25Å; D527-R532 VanDerWaalsContact CG-NH2 3.25Å; D527-R532 IonicContact OD1-NH2 3.85Å; D527-R532 IonicContact OD2-CZ 3.6Å; D527-R532 IonicContact OD2-NH1 3.94Å; D527-R532 PolarHBondContact OD2-NH1 3.35Å; D527-R532 IonicContact OD2-NH2 2.87Å; D527-R532 PolarHBondContact OD2-NH2 2.79Å; R532-Y536 HydrophobicContact CB-CD1 4.4Å; R532-Y536 HydrophobicContact CB-CG 4.3Å; R532-Y536 HydrophobicContact CG-CD1 4.42Å
533P91.2Very high89.9Confident95 Ų9573.2 Ų73.262%0.61738%0.377SS*.PPolyproline II helixtrans-59151175.727.1-35.2000110.5Y536P533-Y536 VanDerWaalsContact O-CB 3.27Å; P533-Y536 WeakPolarHBondContact O-CB 3.42Å; P533-Y536 PolarHBondContact O-N 2.02Å
534K88.7Confident90Very high137 Ų13775.8 Ų75.860%0.59638%0.381SS*.THydrogen-bonded Turntrans-52.2148.7168.6-176171.9176.6170.50110.8Y536 C551 D552K534-Y536 PolarHBondContact O-N 3Å; K534-C551 WeakPolarHBondContact CA-O 3.45Å; K534-D552 WeakPolarHBondContact CB-O 3Å; K534-D552 WeakPolarHBondContact CD-O 3.08Å; K534-D552 VanDerWaalsContact CG-O 3.3Å; K534-D552 WeakPolarHBondContact CG-O 3.14Å
535D86.6Confident90Very high113 Ų11373.6 Ų73.660%0.60436%0.363SS*.THydrogen-bonded Turntrans68.316-179.3-47.8-42.5000113.9Y550 C551D535-Y550 WeakPolarHBondContact O-CD1 3.46Å; D535-C551 PolarHBondContact N-O 3.49Å
536Y90.5Very high89.9Confident106 Ų10674.1 Ų74.142%0.41637%0.366SS..  trans-80.6125.6166.5-177.4-85.8000111.2R532 P533 K534 C538 Y550 C551R532-Y536 HydrophobicContact CB-CD1 4.4Å; R532-Y536 HydrophobicContact CB-CG 4.3Å; R532-Y536 HydrophobicContact CG-CD1 4.42Å; P533-Y536 VanDerWaalsContact O-CB 3.27Å; P533-Y536 WeakPolarHBondContact O-CB 3.42Å; P533-Y536 PolarHBondContact O-N 2.02Å; K534-Y536 PolarHBondContact O-N 3Å; Y536-C538 PolarHBondContact O-N 3.17Å; Y536-Y550 CarbonylContact O-C 3.52Å; Y536-Y550 VanDerWaalsContact O-CA 3.25Å; Y536-Y550 WeakPolarHBondContact O-CA 3.41Å; Y536-C551 PolarHBondContact O-N 3.04Å; Y536-C551 PolarHBondContact O-SG 3.24Å
537I91Very high89.8Confident73 Ų7373.8 Ų73.837%0.37436%0.363SS..EExtended strand (participates in β ladder)trans-66.3118.3178.8-60.7167000110.2P548 E549 Y550I537-P548 HydrophobicContact CG2-CB 4.4Å; I537-E549 CarbonylContact C-O 3.56Å; I537-E549 WeakPolarHBondContact CA-O 3.19Å; I537-Y550 HydrophobicContact CD1-CE1 4.15Å; I537-Y550 HydrophobicContact CG1-CD1 3.68Å; I537-Y550 HydrophobicContact CG1-CE1 3.37Å
538C92.6Very high89.9Confident21 Ų2171.8 Ų71.814%0.14235%0.353CS..EExtended strand (participates in β ladder)trans-104.9-16-179.8600000114A524 C525 Y536 E549 C558A524-C538 HydrophobicContact CB-CB 4.02Å; C525-C538 WeakPolarHBondContact SG-CB 3.38Å; C525-C538 VanDerWaalsContact SG-SG 3.67Å; Y536-C538 PolarHBondContact O-N 3.17Å; C538-E549 PolarHBondContact N-O 3.11Å; C538-C558 VanDerWaalsContact C-SG 3.54Å; C538-C558 HydrophobicContact CB-CB 3.65Å; C538-C558 WeakPolarHBondContact CB-SG 3.01Å; C538-C558 WeakPolarHBondContact SG-CA 3.39Å; C538-C558 WeakPolarHBondContact SG-CB 3.1Å; C538-C558 CovalentContact SG-SG 2.04Å; C538-C558 PolarHBondContact SG-SG 3.15Å
539R92.1Very high90.1Very high56 Ų5664.9 Ų64.921%0.21132%0.321CS..EExtended strand (participates in β ladder)trans-147.9132.6166.5-175.5-174.77295.8-8.1109.5N542 D546 L547 P548 E549 D561R539-N542 PolarHBondContact NH1-ND2 3.33Å; R539-D546 IonicContact CZ-OD1 3.92Å; R539-D546 IonicContact CZ-OD2 3.66Å; R539-D546 VanDerWaalsContact NH1-CG 3.25Å; R539-D546 IonicContact NH1-OD1 3.75Å; R539-D546 PolarHBondContact NH1-OD1 2.9Å; R539-D546 IonicContact NH1-OD2 3.88Å; R539-D546 PolarHBondContact NH1-OD2 3.09Å; R539-D546 IonicContact NH2-OD1 2.61Å; R539-D546 PolarHBondContact NH2-OD1 2.99Å; R539-L547 PolarHBondContact NH2-O 3.19Å; R539-L547 VanDerWaalsContact NH2-O 3.13Å; R539-P548 VanDerWaalsContact O-CA 3.25Å; R539-P548 WeakPolarHBondContact O-CA 3.47Å; R539-P548 WeakPolarHBondContact O-CB 3.37Å; R539-E549 WeakPolarHBondContact CB-OE2 3.31Å; R539-E549 IonicContact CZ-OE1 3.52Å; R539-E549 IonicContact CZ-OE2 2.69Å; R539-E549 IonicContact NE-OE1 3.48Å; R539-E549 IonicContact NE-OE2 2.68Å; R539-E549 PolarHBondContact NE-OE2 2.83Å; R539-E549 VanDerWaalsContact NH2-CD 3.3Å; R539-E549 IonicContact NH2-OE1 2.68Å; R539-E549 PolarHBondContact NH2-OE1 3.29Å; R539-E549 IonicContact NH2-OE2 2.85Å; R539-E549 PolarHBondContact NH2-OE2 2.9Å; R539-E549 PolarHBondContact O-N 2.88Å; R539-E549 VanDerWaalsContact O-N 3.15Å; R539-D561 IonicContact CZ-OD2 3.72Å; R539-D561 IonicContact NH1-OD2 3.58Å; R539-D561 IonicContact NH2-OD1 3.57Å; R539-D561 PolarHBondContact NH2-OD1 2.68Å; R539-D561 IonicContact NH2-OD2 3.88Å
540D90Very high90.1Very high117 Ų11768.3 Ų68.363%0.62633%0.333SS*.  trans-81.1150171.8-71.1-59.8000111.6N542D540-N542 PolarHBondContact O-N 2.91Å
541S89.1Confident90.2Very high58 Ų5860 Ų6041%0.40630%0.302SS..  trans-66.8120174.757.50000111.6
542N85.3Confident90Very high125 Ų12560.5 Ų60.567%0.66831%0.305SS*.  trans-73.3-27.8-177.7-63.1-80.7000113.8R539 D540 D546R539-N542 PolarHBondContact NH1-ND2 3.33Å; D540-N542 PolarHBondContact O-N 2.91Å; N542-D546 VanDerWaalsContact CB-OD2 3.27Å; N542-D546 WeakPolarHBondContact CB-OD2 3.44Å; N542-D546 PolarHBondContact N-OD2 3.39Å; N542-D546 PolarHBondContact ND2-OD2 3.03Å
543N84.2Confident89.8Confident43 Ų4359.4 Ų59.423%0.2331%0.309CS..SBendtrans-155.2176.3-176.878.290.9000112.3C545 D546 G584N543-C545 PolarHBondContact O-N 2.71Å; N543-C545 VanDerWaalsContact O-N 3.12Å; N543-C545 WeakPolarHBondContact OD1-CB 3.44Å; N543-C545 PolarHBondContact OD1-N 3.41Å; N543-D546 VanDerWaalsContact O-CB 3.31Å; N543-D546 WeakPolarHBondContact O-CB 3.25Å; N543-D546 PolarHBondContact O-N 3.21Å; N543-G584 PolarHBondContact ND2-O 3.47Å; N543-G584 PolarHBondContact OD1-O 2.98Å
544E88.4Confident89.6Confident85 Ų8562.5 Ų62.540%0.39732%0.316SS..THydrogen-bonded Turntrans-64.5-15.6-174.770.4-174.5129.300115.6K564 C570 G571 C586E544-K564 WeakPolarHBondContact O-CD 3.31Å; E544-K564 VanDerWaalsContact O-CE 3.26Å; E544-K564 WeakPolarHBondContact O-CE 3.34Å; E544-K564 PolarHBondContact O-NZ 2.9Å; E544-C570 HydrophobicContact CG-CB 3.91Å; E544-G571 WeakPolarHBondContact OE1-CA 3.39Å; E544-G571 PolarHBondContact OE1-N 2.98Å; E544-G571 PolarHBondContact OE2-N 2.87Å; E544-C586 HydrophobicContact CG-CB 4.2Å
545C90.8Very high89.5Confident0 Ų060.7 Ų60.70%031%0.311CS..THydrogen-bonded Turntrans-97.2-8.1175.2-66.60000114N543 K564 C570 C581 G584N543-C545 PolarHBondContact O-N 2.71Å; N543-C545 VanDerWaalsContact O-N 3.12Å; N543-C545 WeakPolarHBondContact OD1-CB 3.44Å; N543-C545 PolarHBondContact OD1-N 3.41Å; C545-K564 WeakPolarHBondContact O-CB 3.13Å; C545-K564 WeakPolarHBondContact O-CG 3.4Å; C545-K564 PolarHBondContact O-N 3.01Å; C545-C570 VanDerWaalsContact SG-CB 3.56Å; C545-C581 VanDerWaalsContact CA-SG 3.55Å; C545-C581 HydrophobicContact CB-CB 3.63Å; C545-C581 WeakPolarHBondContact CB-SG 3.18Å; C545-C581 WeakPolarHBondContact SG-CA 3.49Å; C545-C581 WeakPolarHBondContact SG-CB 3.01Å; C545-C581 CovalentContact SG-SG 2.03Å; C545-C581 PolarHBondContact SG-SG 2.98Å; C545-G584 WeakPolarHBondContact CB-O 3.35Å
546D92Very high89.5Confident11 Ų1155.7 Ų55.76%0.05929%0.287CS..BIsolated β-bridgetrans-92.6161.5179.8-159.4-4.7000110R539 N542 N543R539-D546 IonicContact CZ-OD1 3.92Å; R539-D546 IonicContact CZ-OD2 3.66Å; R539-D546 VanDerWaalsContact NH1-CG 3.25Å; R539-D546 IonicContact NH1-OD1 3.75Å; R539-D546 PolarHBondContact NH1-OD1 2.9Å; R539-D546 IonicContact NH1-OD2 3.88Å; R539-D546 PolarHBondContact NH1-OD2 3.09Å; R539-D546 IonicContact NH2-OD1 2.61Å; R539-D546 PolarHBondContact NH2-OD1 2.99Å; N542-D546 VanDerWaalsContact CB-OD2 3.27Å; N542-D546 WeakPolarHBondContact CB-OD2 3.44Å; N542-D546 PolarHBondContact N-OD2 3.39Å; N542-D546 PolarHBondContact ND2-OD2 3.03Å; N543-D546 VanDerWaalsContact O-CB 3.31Å; N543-D546 WeakPolarHBondContact O-CB 3.25Å; N543-D546 PolarHBondContact O-N 3.21Å
547L90.6Very high89.4Confident9 Ų956.1 Ų56.15%0.04729%0.293CS..  trans-131.8155.2174-53.5166.5000109.1R539 V562 K564 T738 F744R539-L547 PolarHBondContact NH2-O 3.19Å; R539-L547 VanDerWaalsContact NH2-O 3.13Å; L547-V562 VanDerWaalsContact CB-O 3.25Å; L547-V562 WeakPolarHBondContact CB-O 3.16Å; L547-V562 HydrophobicContact CD1-CG1 4.44Å; L547-V562 PolarHBondContact N-O 3.4Å; L547-K564 HydrophobicContact CD1-CG 4.45Å; L547-K564 HydrophobicContact CD2-CD 4.44Å; L547-K564 HydrophobicContact CD2-CG 3.96Å; L547-K564 HydrophobicContact CG-CG 4.17Å; L547-T738 HydrophobicContact CD1-CG2 4.02Å; L547-F744 HydrophobicContact CB-CD2 4.36Å; L547-F744 HydrophobicContact CB-CE2 4.28Å; L547-F744 HydrophobicContact CD1-CB 4.01Å; L547-F744 HydrophobicContact CD1-CD2 4.15Å; L547-F744 HydrophobicContact CD1-CG 4.01Å; L547-F744 HydrophobicContact CD2-CD1 4.31Å
548P91.7Very high89.4Confident25 Ų2553.6 Ų53.616%0.16228%0.281CS..  trans-83.8138.817632.8-32.8000111.4I537 R539 Y550 F744I537-P548 HydrophobicContact CG2-CB 4.4Å; R539-P548 VanDerWaalsContact O-CA 3.25Å; R539-P548 WeakPolarHBondContact O-CA 3.47Å; R539-P548 WeakPolarHBondContact O-CB 3.37Å; P548-Y550 HydrophobicContact CG-CE2 4.33Å; P548-Y550 WeakPolarHBondContact O-CE2 3.34Å; P548-F744 HydrophobicContact CG-CZ 3.93Å; P548-F744 WeakPolarHBondContact O-CE2 3.36Å
549E91.1Very high89.3Confident7 Ų755.1 Ų55.13%0.03329%0.291CS..EExtended strand (participates in β ladder)trans-93.9150171.2-66.677-163.900112.5I537 C538 R539 D561 V562I537-E549 CarbonylContact C-O 3.56Å; I537-E549 WeakPolarHBondContact CA-O 3.19Å; C538-E549 PolarHBondContact N-O 3.11Å; R539-E549 WeakPolarHBondContact CB-OE2 3.31Å; R539-E549 IonicContact CZ-OE1 3.52Å; R539-E549 IonicContact CZ-OE2 2.69Å; R539-E549 IonicContact NE-OE1 3.48Å; R539-E549 IonicContact NE-OE2 2.68Å; R539-E549 PolarHBondContact NE-OE2 2.83Å; R539-E549 VanDerWaalsContact NH2-CD 3.3Å; R539-E549 IonicContact NH2-OE1 2.68Å; R539-E549 PolarHBondContact NH2-OE1 3.29Å; R539-E549 IonicContact NH2-OE2 2.85Å; R539-E549 PolarHBondContact NH2-OE2 2.9Å; R539-E549 PolarHBondContact O-N 2.88Å; R539-E549 VanDerWaalsContact O-N 3.15Å; E549-D561 WeakPolarHBondContact OE1-CA 3.44Å; E549-V562 HydrophobicContact CG-CG2 4.16Å; E549-V562 PolarHBondContact OE1-N 3.39Å
550Y90.9Very high89.1Confident84 Ų8457.6 Ų57.633%0.32932%0.317SS..EExtended strand (participates in β ladder)trans-119.4146.5178.4-55-94.9000110.2D535 Y536 I537 P548 P559 F744D535-Y550 WeakPolarHBondContact O-CD1 3.46Å; Y536-Y550 CarbonylContact O-C 3.52Å; Y536-Y550 VanDerWaalsContact O-CA 3.25Å; Y536-Y550 WeakPolarHBondContact O-CA 3.41Å; I537-Y550 HydrophobicContact CD1-CE1 4.15Å; I537-Y550 HydrophobicContact CG1-CD1 3.68Å; I537-Y550 HydrophobicContact CG1-CE1 3.37Å; P548-Y550 HydrophobicContact CG-CE2 4.33Å; P548-Y550 WeakPolarHBondContact O-CE2 3.34Å; Y550-P559 WeakPolarHBondContact O-CD 3.42Å; Y550-P559 WeakPolarHBondContact O-CG 3.25Å; Y550-F744 AromaticContact CE2-CE2 3.87Å; Y550-F744 HydrophobicContact CE2-CE2 3.87Å; Y550-F744 AromaticContact CE2-CZ 3.81Å; Y550-F744 HydrophobicContact CE2-CZ 3.81Å
551C93.3Very high88.9Confident2 Ų256 Ų561%0.01431%0.308CS..  trans-60.8137.7170.1-57.90000110.9C525 K534 D535 Y536 G553C525-C551 WeakPolarHBondContact CA-SG 3.42Å; C525-C551 HydrophobicContact CB-CB 3.8Å; C525-C551 WeakPolarHBondContact CB-SG 3.28Å; C525-C551 WeakPolarHBondContact SG-CA 3.43Å; C525-C551 WeakPolarHBondContact SG-CB 3.33Å; C525-C551 CovalentContact SG-SG 2.03Å; C525-C551 PolarHBondContact SG-SG 3.19Å; K534-C551 WeakPolarHBondContact CA-O 3.45Å; D535-C551 PolarHBondContact N-O 3.49Å; Y536-C551 PolarHBondContact O-N 3.04Å; Y536-C551 PolarHBondContact O-SG 3.24Å; C551-G553 VanDerWaalsContact C-N 3.34Å
552D89Confident89Confident52 Ų5254.7 Ų54.728%0.27830%0.298SS..  trans-73.5-27.3171.449.225.9000112.5K534 E554 I555K534-D552 WeakPolarHBondContact CB-O 3Å; K534-D552 WeakPolarHBondContact CD-O 3.08Å; K534-D552 VanDerWaalsContact CG-O 3.3Å; K534-D552 WeakPolarHBondContact CG-O 3.14Å; D552-E554 PolarHBondContact OD1-N 2.96Å; D552-I555 PolarHBondContact OD1-N 3.27Å
553G87.9Confident89.3Confident28 Ų2850.9 Ų50.929%0.28928%0.275SS..SBendtrans88.37.6-172.900000113.6C551C551-G553 VanDerWaalsContact C-N 3.34Å
554E86.6Confident89.6Confident161 Ų16151.3 Ų51.375%0.75228%0.275SS*.SBendtrans-118.4-28.5-176.3-62.5-176.9-175.600112.1D552D552-E554 PolarHBondContact OD1-N 2.96Å
555I85.8Confident89.6Confident98 Ų9848.2 Ų48.250%0.50326%0.26SS..  trans-126.6139.6-176-48.6-178.9000110.9C525 L531 D552 Q557C525-I555 WeakPolarHBondContact CB-O 3.49Å; L531-I555 VanDerWaalsContact CD2-C 3.4Å; D552-I555 PolarHBondContact OD1-N 3.27Å; I555-Q557 HydrophobicContact CG2-CB 4.31Å; I555-Q557 PolarHBondContact O-N 2.78Å
556G87Confident89.5Confident9 Ų950 Ų509%0.09327%0.27CS..SBendtrans-71.3-16.3-179.500000114.7S522 G523 C525 C526 L531S522-G556 CarbonylContact O-C 3.59Å; G523-G556 CarbonylContact C-O 3.51Å; G523-G556 VanDerWaalsContact CA-O 3.25Å; G523-G556 WeakPolarHBondContact CA-O 3.35Å; C525-G556 CarbonylContact C-O 3.13Å; C525-G556 VanDerWaalsContact C-O 3.26Å; C525-G556 VanDerWaalsContact CA-O 3.24Å; C525-G556 WeakPolarHBondContact CA-O 3.34Å; C525-G556 VanDerWaalsContact CB-O 3.3Å; C525-G556 WeakPolarHBondContact CB-O 3.28Å; C525-G556 PolarHBondContact N-O 3Å; C526-G556 PolarHBondContact N-O 3.17Å; C526-G556 VanDerWaalsContact N-O 3.15Å; L531-G556 VanDerWaalsContact CD2-N 3.32Å
557Q88Confident89.2Confident115 Ų11550.4 Ų50.454%0.53728%0.277SS..SBendtrans-94.1142.5-179.8-178.656.81000111.1I555I555-Q557 HydrophobicContact CG2-CB 4.31Å; I555-Q557 PolarHBondContact O-N 2.78Å
558C91.2Very high89Confident20 Ų2051.3 Ų51.314%0.13528%0.284CS..PPolyproline II helixtrans-64.2139.3173.6-166.50000110.1A524 C538A524-C558 HydrophobicContact CB-CB 4.36Å; C538-C558 VanDerWaalsContact C-SG 3.54Å; C538-C558 HydrophobicContact CB-CB 3.65Å; C538-C558 WeakPolarHBondContact CB-SG 3.01Å; C538-C558 WeakPolarHBondContact SG-CA 3.39Å; C538-C558 WeakPolarHBondContact SG-CB 3.1Å; C538-C558 CovalentContact SG-SG 2.04Å; C538-C558 PolarHBondContact SG-SG 3.15Å
559P89.6Confident88.8Confident52 Ų5254.1 Ų54.134%0.33830%0.302SS..PPolyproline II helixtrans-55.2159.8176.9-29.137.7000113.9Y550Y550-P559 WeakPolarHBondContact O-CD 3.42Å; Y550-P559 WeakPolarHBondContact O-CG 3.25Å
560S87.9Confident88.7Confident109 Ų10953.8 Ų53.876%0.76230%0.301SS*.PPolyproline II helixtrans-60.3138.8178.8-49.80000112.2V562S560-V562 WeakPolarHBondContact O-CG2 3.21Å; S560-V562 PolarHBondContact O-N 2.87Å
561D87.7Confident88.2Confident82 Ų8250.3 Ų50.344%0.43929%0.29SS..  trans-45.6119.5-178.8-169.4-45.4000113.4R539 E549 F563 N739R539-D561 IonicContact CZ-OD2 3.72Å; R539-D561 IonicContact NH1-OD2 3.58Å; R539-D561 IonicContact NH2-OD1 3.57Å; R539-D561 PolarHBondContact NH2-OD1 2.68Å; R539-D561 IonicContact NH2-OD2 3.88Å; E549-D561 WeakPolarHBondContact OE1-CA 3.44Å; D561-F563 WeakPolarHBondContact OD1-CD1 3.28Å; D561-N739 PolarHBondContact O-ND2 3.46Å
562V90.3Very high87.3Confident32 Ų3256.9 Ų56.919%0.19433%0.325CS..  trans-114.9111.3-176.5-164.50000109.3L547 E549 S560 T738L547-V562 VanDerWaalsContact CB-O 3.25Å; L547-V562 WeakPolarHBondContact CB-O 3.16Å; L547-V562 HydrophobicContact CD1-CG1 4.44Å; L547-V562 PolarHBondContact N-O 3.4Å; E549-V562 HydrophobicContact CG-CG2 4.16Å; E549-V562 PolarHBondContact OE1-N 3.39Å; S560-V562 WeakPolarHBondContact O-CG2 3.21Å; S560-V562 PolarHBondContact O-N 2.87Å; V562-T738 HydrophobicContact CG1-CG2 3.41Å; V562-T738 VanDerWaalsContact CG1-CG2 3.41Å
563F91.4Very high86.4Confident44 Ų4457 Ų5719%0.19333%0.33CS..BIsolated β-bridgetrans-120.7165.7-179.253.4-97.6000113.1D561 G584 T738 N739D561-F563 WeakPolarHBondContact OD1-CD1 3.28Å; F563-G584 VanDerWaalsContact CD2-N 3.32Å; F563-T738 CarbonylContact O-C 3.56Å; F563-T738 WeakPolarHBondContact O-CA 3.13Å; F563-N739 WeakPolarHBondContact CD1-ND2 3.17Å; F563-N739 HydrophobicContact CD2-CB 3.78Å; F563-N739 HydrophobicContact CE1-CB 4.38Å; F563-N739 WeakPolarHBondContact CE1-ND2 3.45Å; F563-N739 HydrophobicContact CE2-CB 3.58Å; F563-N739 HydrophobicContact CG-CB 4.27Å; F563-N739 HydrophobicContact CZ-CB 3.9Å; F563-N739 WeakPolarHBondContact CZ-ND2 3.49Å; F563-N739 PolarHBondContact N-ND2 3.31Å; F563-N739 PolarHBondContact O-N 2.91Å
564K90.6Very high85.4Confident52 Ų5266.2 Ų66.223%0.22636%0.362CS..BIsolated β-bridgetrans-66.4140.4178-57.2-173.6-176170.70110.4E544 C545 L547 V736E544-K564 WeakPolarHBondContact O-CD 3.31Å; E544-K564 VanDerWaalsContact O-CE 3.26Å; E544-K564 WeakPolarHBondContact O-CE 3.34Å; E544-K564 PolarHBondContact O-NZ 2.9Å; C545-K564 WeakPolarHBondContact O-CB 3.13Å; C545-K564 WeakPolarHBondContact O-CG 3.4Å; C545-K564 PolarHBondContact O-N 3.01Å; L547-K564 HydrophobicContact CD1-CG 4.45Å; L547-K564 HydrophobicContact CD2-CD 4.44Å; L547-K564 HydrophobicContact CD2-CG 3.96Å; L547-K564 HydrophobicContact CG-CG 4.17Å; K564-V736 HydrophobicContact CB-CG1 4.34Å; K564-V736 HydrophobicContact CD-CG1 3.86Å; K564-V736 HydrophobicContact CG-CG1 3.74Å
565K88.1Confident84.5Confident20 Ų2064.8 Ų64.89%0.08736%0.364CS..PPolyproline II helixtrans-51144.3-179.1-80.2-171.7172.4171.60113.4G567 S568 T720 C737 T738 N741K565-G567 PolarHBondContact O-N 2.78Å; K565-S568 VanDerWaalsContact O-CB 3.31Å; K565-S568 WeakPolarHBondContact O-CB 3.38Å; K565-S568 PolarHBondContact O-N 3.45Å; K565-S568 VanDerWaalsContact O-N 3.08Å; K565-S568 PolarHBondContact O-OG 3.09Å; K565-T720 PolarHBondContact NZ-O 3.09Å; K565-C737 WeakPolarHBondContact CE-SG 3.21Å; K565-C737 PolarHBondContact N-O 2.91Å; K565-C737 PolarHBondContact NZ-SG 3.28Å; K565-T738 VanDerWaalsContact CE-O 3.24Å; K565-T738 WeakPolarHBondContact CE-O 3.43Å; K565-T738 VanDerWaalsContact CG-O 3.25Å; K565-T738 WeakPolarHBondContact CG-O 3.35Å; K565-N741 VanDerWaalsContact CE-OD1 3.26Å; K565-N741 WeakPolarHBondContact CE-OD1 3.46Å; K565-N741 PolarHBondContact NZ-OD1 2.95Å
566N88Confident83.8Confident37 Ų3761.8 Ų61.820%0.19836%0.357CS..THydrogen-bonded Turntrans-48.9136.1168.6-71-8.5000110.6S568 C581 F582 Q583 H716N566-S568 VanDerWaalsContact C-N 3.34Å; N566-C581 CarbonylContact C-O 3.54Å; N566-C581 VanDerWaalsContact CA-O 3.25Å; N566-C581 WeakPolarHBondContact CA-O 3.3Å; N566-F582 HydrophobicContact CB-CD2 4.48Å; N566-Q583 PolarHBondContact OD1-N 2.71Å; N566-H716 WeakPolarHBondContact CB-O 3.47Å; N566-H716 PolarHBondContact ND2-O 2.78Å
567G85.7Confident83Confident20 Ų2065.9 Ų65.921%0.20638%0.376CS..THydrogen-bonded Turntrans86.1-5.1-177.400000115.4K565 Y580 C581K565-G567 PolarHBondContact O-N 2.78Å; G567-Y580 WeakPolarHBondContact O-CD1 3.47Å; G567-C581 PolarHBondContact N-O 3.23Å
568S87Confident82.5Confident29 Ų2963 Ų6320%0.20337%0.368CS..  trans-59.5135168.4-57.70000109.9K565 N566 Y580 C581K565-S568 VanDerWaalsContact O-CB 3.31Å; K565-S568 WeakPolarHBondContact O-CB 3.38Å; K565-S568 PolarHBondContact O-N 3.45Å; K565-S568 VanDerWaalsContact O-N 3.08Å; K565-S568 PolarHBondContact O-OG 3.09Å; N566-S568 VanDerWaalsContact C-N 3.34Å; S568-Y580 CarbonylContact O-C 3.56Å; S568-Y580 WeakPolarHBondContact O-CA 3.43Å; S568-C581 PolarHBondContact O-N 3.39Å
569P87.6Confident82.3Confident83 Ų8362 Ų6254%0.53936%0.362SS..EExtended strand (participates in β ladder)trans-71.2137.6-17628.9-35.2000111.9I577P569-I577 HydrophobicContact CB-CD1 3.65Å; P569-I577 HydrophobicContact CB-CG1 3.89Å; P569-I577 HydrophobicContact CB-CG2 3.82Å
570C89.2Confident82.2Confident0 Ų062.1 Ų62.10%036%0.356CS..EExtended strand (participates in β ladder)trans-144.6176.6-179.3740000112.1E544 C545 S578 G579 Y580 C586E544-C570 HydrophobicContact CG-CB 3.91Å; C545-C570 VanDerWaalsContact SG-CB 3.56Å; C570-S578 PolarHBondContact O-N 2.85Å; C570-G579 PolarHBondContact N-O 3.37Å; C570-G579 PolarHBondContact O-N 3.36Å; C570-G579 VanDerWaalsContact O-O 3.09Å; C570-Y580 PolarHBondContact SG-N 3.33Å; C570-C586 VanDerWaalsContact C-SG 3.6Å; C570-C586 HydrophobicContact CB-CB 3.76Å; C570-C586 WeakPolarHBondContact CB-SG 3.16Å; C570-C586 VanDerWaalsContact SG-CA 3.52Å; C570-C586 WeakPolarHBondContact SG-CB 3.31Å; C570-C586 CovalentContact SG-SG 2.03Å; C570-C586 PolarHBondContact SG-SG 3.41Å
571G81.1Confident82.4Confident11 Ų1157 Ų5711%0.11332%0.32CS..EExtended strand (participates in β ladder)trans63.656.4179.100000111E544 S573 S578 C586E544-G571 WeakPolarHBondContact OE1-CA 3.39Å; E544-G571 PolarHBondContact OE1-N 2.98Å; E544-G571 PolarHBondContact OE2-N 2.87Å; G571-S573 PolarHBondContact O-N 3.05Å; G571-S578 WeakPolarHBondContact O-CB 3.19Å; G571-S578 PolarHBondContact O-N 3.34Å; G571-S578 PolarHBondContact O-OG 2.95Å; G571-C586 PolarHBondContact N-SG 3.48Å; G571-C586 VanDerWaalsContact N-SG 3.35Å
572L74.2Confident82.5Confident140 Ų14054 Ų5473%0.73330%0.303SS*.EExtended strand (participates in β ladder)trans-67.393.5-176.5-71.7172.6000111.9I577L572-I577 HydrophobicContact CD2-CG1 4.27Å
573S70.5Confident82.3Confident55 Ų5558.3 Ų58.339%0.38532%0.321SS..EExtended strand (participates in β ladder)trans-83.6162.1174.2175.50000111.3G571 T575 G576G571-S573 PolarHBondContact O-N 3.05Å; S573-T575 PolarHBondContact O-N 3.43Å; S573-T575 PolarHBondContact OG-N 2.97Å; S573-T575 PolarHBondContact OG-OG1 3.22Å; S573-G576 WeakPolarHBondContact CA-O 3.46Å; S573-G576 WeakPolarHBondContact CB-O 3.43Å; S573-G576 PolarHBondContact N-O 3.03Å; S573-G576 PolarHBondContact O-N 3.17Å
574K66.6Low82.1Confident221 Ų22156.5 Ų56.596%0.96132%0.315SS*.THydrogen-bonded Turntrans-57.5-17.1167.4-63.7177.7-177.1171.90113.2
575T67.8Low82Confident132 Ų13261.6 Ų61.681%0.8133%0.334SS*.THydrogen-bonded Turntrans-96-0.7176.853.60000113.9S573S573-T575 PolarHBondContact O-N 3.43Å; S573-T575 PolarHBondContact OG-N 2.97Å; S573-T575 PolarHBondContact OG-OG1 3.22Å
576G71.4Confident82.1Confident34 Ų3461.4 Ų61.435%0.35134%0.335SS..EExtended strand (participates in β ladder)trans113.9-162.8-174.400000113.2S573S573-G576 WeakPolarHBondContact CA-O 3.46Å; S573-G576 WeakPolarHBondContact CB-O 3.43Å; S573-G576 PolarHBondContact N-O 3.03Å; S573-G576 PolarHBondContact O-N 3.17Å
577I68.7Low82.1Confident96 Ų9660.2 Ų60.249%0.49233%0.329SS..EExtended strand (participates in β ladder)trans-62.7130.8176.4-59.1158.3000108.9P569 L572 G579P569-I577 HydrophobicContact CB-CD1 3.65Å; P569-I577 HydrophobicContact CB-CG1 3.89Å; P569-I577 HydrophobicContact CB-CG2 3.82Å; L572-I577 HydrophobicContact CD2-CG1 4.27Å; I577-G579 WeakPolarHBondContact CG2-O 3Å
578S78.1Confident82.3Confident53 Ų5359.5 Ų59.537%0.37132%0.321SS..EExtended strand (participates in β ladder)trans-120.2-3.4178.171.40000114.6C570 G571 T588C570-S578 PolarHBondContact O-N 2.85Å; G571-S578 WeakPolarHBondContact O-CB 3.19Å; G571-S578 PolarHBondContact O-N 3.34Å; G571-S578 PolarHBondContact O-OG 2.95Å; S578-T588 WeakPolarHBondContact O-CG2 3.38Å
579G86.6Confident82.4Confident0 Ų059.3 Ų59.30%032%0.318CS..EExtended strand (participates in β ladder)trans-144.2167174.500000112.5C570 I577C570-G579 PolarHBondContact N-O 3.37Å; C570-G579 PolarHBondContact O-N 3.36Å; C570-G579 VanDerWaalsContact O-O 3.09Å; I577-G579 WeakPolarHBondContact CG2-O 3Å
580Y88.6Confident82.4Confident55 Ų5558.2 Ų58.222%0.21631%0.312CS..EExtended strand (participates in β ladder)trans-121.1141.6162.8-62.3-74.5000108.4G567 S568 C570 F582 P698 I704 L713G567-Y580 WeakPolarHBondContact O-CD1 3.47Å; S568-Y580 CarbonylContact O-C 3.56Å; S568-Y580 WeakPolarHBondContact O-CA 3.43Å; C570-Y580 PolarHBondContact SG-N 3.33Å; Y580-F582 PolarHBondContact O-N 3.01Å; Y580-P698 HydrophobicContact CD2-CG 4.1Å; Y580-I704 HydrophobicContact CD2-CG2 4.43Å; Y580-L713 HydrophobicContact CD1-CD2 4.02Å; Y580-L713 HydrophobicContact CD2-CD2 3.93Å; Y580-L713 HydrophobicContact CE1-CD2 4.27Å; Y580-L713 HydrophobicContact CE2-CD2 4.2Å; Y580-L713 HydrophobicContact CG-CD2 3.84Å
581C90.9Very high82.3Confident2 Ų262.2 Ų62.21%0.01433%0.333CS..  trans-58.9132.9171.3-63.70000109.4C545 N566 G567 S568 Y585C545-C581 VanDerWaalsContact CA-SG 3.55Å; C545-C581 HydrophobicContact CB-CB 3.63Å; C545-C581 WeakPolarHBondContact CB-SG 3.18Å; C545-C581 WeakPolarHBondContact SG-CA 3.49Å; C545-C581 WeakPolarHBondContact SG-CB 3.01Å; C545-C581 CovalentContact SG-SG 2.03Å; C545-C581 PolarHBondContact SG-SG 2.98Å; N566-C581 CarbonylContact C-O 3.54Å; N566-C581 VanDerWaalsContact CA-O 3.25Å; N566-C581 WeakPolarHBondContact CA-O 3.3Å; G567-C581 PolarHBondContact N-O 3.23Å; S568-C581 PolarHBondContact O-N 3.39Å; C581-Y585 WeakPolarHBondContact CA-O 3.48Å
582F89.7Confident82.7Confident18 Ų1862.5 Ų62.58%0.07933%0.331CS..BIsolated β-bridgetrans-145.1119.4175.7-164.3-93.9000108.7N566 Y580 G584 Y585 P587 I704 L706 H716N566-F582 HydrophobicContact CB-CD2 4.48Å; Y580-F582 PolarHBondContact O-N 3.01Å; F582-G584 VanDerWaalsContact C-N 3.25Å; F582-G584 PolarHBondContact O-N 3.37Å; F582-Y585 PolarHBondContact N-O 2.73Å; F582-Y585 PolarHBondContact O-N 3.02Å; F582-P587 HydrophobicContact CB-CG 4.42Å; F582-I704 HydrophobicContact CD2-CD1 3.98Å; F582-I704 HydrophobicContact CE2-CD1 3.79Å; F582-L706 HydrophobicContact CE1-CD2 3.73Å; F582-L706 HydrophobicContact CE2-CD2 4.06Å; F582-L706 HydrophobicContact CZ-CD1 4.3Å; F582-L706 HydrophobicContact CZ-CD2 3.42Å; F582-L706 VanDerWaalsContact CZ-CD2 3.42Å; F582-H716 HydrophobicContact CE2-CB 4.01Å
583Q86.6Confident83.5Confident122 Ų12255.8 Ų55.857%0.5730%0.296SS*.THydrogen-bonded Turntrans48.944.5-178.6-63177.4-29.400113.3N566 Y585N566-Q583 PolarHBondContact OD1-N 2.71Å; Q583-Y585 VanDerWaalsContact C-N 3.32Å; Q583-Y585 VanDerWaalsContact O-CD2 3.26Å; Q583-Y585 WeakPolarHBondContact O-CD2 3.23Å; Q583-Y585 PolarHBondContact O-N 2.86Å
584G86.7Confident84.3Confident6 Ų656.2 Ų56.26%0.06229%0.292CS..THydrogen-bonded Turntrans80.5-3.7178.300000116.7N543 C545 F563 F582N543-G584 PolarHBondContact ND2-O 3.47Å; N543-G584 PolarHBondContact OD1-O 2.98Å; C545-G584 WeakPolarHBondContact CB-O 3.35Å; F563-G584 VanDerWaalsContact CD2-N 3.32Å; F582-G584 VanDerWaalsContact C-N 3.25Å; F582-G584 PolarHBondContact O-N 3.37Å
585Y88.2Confident85.2Confident160 Ų16048.4 Ų48.463%0.62727%0.268SS*.BIsolated β-bridgetrans-111.4158178.2-60.8-75.8000112.8C581 F582 Q583 P587C581-Y585 WeakPolarHBondContact CA-O 3.48Å; F582-Y585 PolarHBondContact N-O 2.73Å; F582-Y585 PolarHBondContact O-N 3.02Å; Q583-Y585 VanDerWaalsContact C-N 3.32Å; Q583-Y585 VanDerWaalsContact O-CD2 3.26Å; Q583-Y585 WeakPolarHBondContact O-CD2 3.23Å; Q583-Y585 PolarHBondContact O-N 2.86Å; Y585-P587 WeakPolarHBondContact O-CD 3.24Å
586C90.3Very high86Confident16 Ų1642.4 Ų42.411%0.10823%0.231CC..  trans-104.182.1165.7-170.20000111.8E544 C570 G571 T588E544-C586 HydrophobicContact CG-CB 4.2Å; C570-C586 VanDerWaalsContact C-SG 3.6Å; C570-C586 HydrophobicContact CB-CB 3.76Å; C570-C586 WeakPolarHBondContact CB-SG 3.16Å; C570-C586 VanDerWaalsContact SG-CA 3.52Å; C570-C586 WeakPolarHBondContact SG-CB 3.31Å; C570-C586 CovalentContact SG-SG 2.03Å; C570-C586 PolarHBondContact SG-SG 3.41Å; G571-C586 PolarHBondContact N-SG 3.48Å; G571-C586 VanDerWaalsContact N-SG 3.35Å; C586-T588 PolarHBondContact O-N 2.98Å
587P88.8Confident86.7Confident12 Ų1240.9 Ų40.98%0.07822%0.215CC..  trans-73.7112.2177.530.3-35.4000111.4F582 Y585 K694 G696 P698F582-P587 HydrophobicContact CB-CG 4.42Å; Y585-P587 WeakPolarHBondContact O-CD 3.24Å; P587-K694 HydrophobicContact CB-CB 4.47Å; P587-G696 VanDerWaalsContact CG-C 3.43Å; P587-P698 VanDerWaalsContact O-CD 3.3Å; P587-P698 WeakPolarHBondContact O-CD 3.25Å
588T89Confident87.5Confident5 Ų536.9 Ų36.93%0.03120%0.198CC..  trans-124.1149.9169.678.20000110.5S578 C586 S590 L591 Q592S578-T588 WeakPolarHBondContact O-CG2 3.38Å; C586-T588 PolarHBondContact O-N 2.98Å; T588-S590 VanDerWaalsContact C-N 3.26Å; T588-S590 PolarHBondContact O-N 3.21Å; T588-L591 HydrophobicContact CG2-CD1 4.26Å; T588-L591 PolarHBondContact O-N 3.07Å; T588-L591 WeakPolarHBondContact OG1-CB 3.31Å; T588-L591 VanDerWaalsContact OG1-CG 3.3Å; T588-L591 WeakPolarHBondContact OG1-CG 3.49Å; T588-L591 PolarHBondContact OG1-N 2.76Å; T588-Q592 VanDerWaalsContact C-NE2 3.29Å; T588-Q592 WeakPolarHBondContact O-CG 3.3Å; T588-Q592 PolarHBondContact O-N 2.97Å; T588-Q592 VanDerWaalsContact O-N 3.1Å; T588-Q592 PolarHBondContact O-NE2 2.78Å
589L89.8Confident87.8Confident25 Ų2544.7 Ų44.713%0.13122%0.22CC..Hα-helixtrans-60.8-36.7179.9-65.7171.2000111.9C593 A603 L643 V693 T697L589-C593 PolarHBondContact O-N 3.01Å; L589-C593 PolarHBondContact O-SG 3.06Å; L589-C593 VanDerWaalsContact O-SG 3.38Å; L589-A603 HydrophobicContact CB-CB 3.58Å; L589-A603 HydrophobicContact CD1-CB 4.45Å; L589-L643 HydrophobicContact CD2-CD1 3.79Å; L589-V693 HydrophobicContact CD2-CB 4.46Å; L589-V693 HydrophobicContact CD2-CG1 3.81Å; L589-V693 HydrophobicContact CD2-CG2 3.74Å; L589-T697 HydrophobicContact CD2-CG2 3.68Å; L589-T697 HydrophobicContact CG-CG2 3.66Å
590S88.6Confident87.8Confident59 Ų5946.5 Ų46.541%0.41324%0.24SC..Hα-helixtrans-67.3-47.8178.6-59.50000112.1T588 Q592 C593 E594T588-S590 VanDerWaalsContact C-N 3.26Å; T588-S590 PolarHBondContact O-N 3.21Å; S590-Q592 VanDerWaalsContact C-N 3.27Å; S590-Q592 PolarHBondContact O-N 2.78Å; S590-C593 PolarHBondContact O-N 3.36Å; S590-C593 VanDerWaalsContact O-N 3.15Å; S590-E594 WeakPolarHBondContact O-CB 3.38Å; S590-E594 PolarHBondContact O-N 2.91Å
591L86.9Confident87.7Confident84 Ų8444.1 Ų44.144%0.4423%0.231SC..Hα-helixtrans-63-34.9177.8-70.3172.5000111.9T588 A595T588-L591 HydrophobicContact CG2-CD1 4.26Å; T588-L591 PolarHBondContact O-N 3.07Å; T588-L591 WeakPolarHBondContact OG1-CB 3.31Å; T588-L591 VanDerWaalsContact OG1-CG 3.3Å; T588-L591 WeakPolarHBondContact OG1-CG 3.49Å; T588-L591 PolarHBondContact OG1-N 2.76Å; L591-A595 WeakPolarHBondContact O-CB 3.38Å; L591-A595 PolarHBondContact O-N 2.89Å
592Q89.1Confident87.7Confident17 Ų1745.4 Ų45.48%0.07924%0.241CC..Hα-helixtrans-65.9-41.3173.8-73.3166.878.100112.2T588 S590 I596 L643 K694 T697T588-Q592 VanDerWaalsContact C-NE2 3.29Å; T588-Q592 WeakPolarHBondContact O-CG 3.3Å; T588-Q592 PolarHBondContact O-N 2.97Å; T588-Q592 VanDerWaalsContact O-N 3.1Å; T588-Q592 PolarHBondContact O-NE2 2.78Å; S590-Q592 VanDerWaalsContact C-N 3.27Å; S590-Q592 PolarHBondContact O-N 2.78Å; Q592-I596 WeakPolarHBondContact O-CD1 3.37Å; Q592-I596 WeakPolarHBondContact O-CG1 3.33Å; Q592-I596 PolarHBondContact O-N 2.82Å; Q592-L643 HydrophobicContact CB-CD1 4.15Å; Q592-L643 HydrophobicContact CB-CD2 3.79Å; Q592-K694 HydrophobicContact CG-CD 4.42Å; Q592-K694 HydrophobicContact CG-CG 4.47Å; Q592-T697 PolarHBondContact NE2-OG1 2.89Å
593C90.1Very high87.8Confident0 Ų045.7 Ų45.70%025%0.246CC..Hα-helixtrans-69-40.2175.5-73.20000113L589 S590 I596 W597 S602 C645L589-C593 PolarHBondContact O-N 3.01Å; L589-C593 PolarHBondContact O-SG 3.06Å; L589-C593 VanDerWaalsContact O-SG 3.38Å; S590-C593 PolarHBondContact O-N 3.36Å; S590-C593 VanDerWaalsContact O-N 3.15Å; C593-I596 PolarHBondContact O-N 3.01Å; C593-W597 PolarHBondContact O-N 2.9Å; C593-S602 PolarHBondContact SG-O 3.41Å; C593-S602 VanDerWaalsContact SG-O 3.38Å; C593-C645 WeakPolarHBondContact CA-SG 3.38Å; C593-C645 HydrophobicContact CB-CB 3.72Å; C593-C645 WeakPolarHBondContact CB-SG 3.42Å; C593-C645 VanDerWaalsContact SG-CA 3.5Å; C593-C645 WeakPolarHBondContact SG-CB 3.48Å; C593-C645 CovalentContact SG-SG 2.04Å; C593-C645 PolarHBondContact SG-SG 2.76Å
594E88.3Confident88Confident64 Ų6440.2 Ų40.230%0.29922%0.222SC..Hα-helixtrans-65.3-37.2175.6-174.9156.2-136.500111.9S590 I596 G598 Y599 G600 G601S590-E594 WeakPolarHBondContact O-CB 3.38Å; S590-E594 PolarHBondContact O-N 2.91Å; E594-I596 PolarHBondContact O-N 3.44Å; E594-G598 CarbonylContact O-C 3.49Å; E594-G598 WeakPolarHBondContact O-CA 3.27Å; E594-G598 PolarHBondContact O-N 3.04Å; E594-Y599 WeakPolarHBondContact OE1-CA 3.22Å; E594-Y599 VanDerWaalsContact OE1-CD2 3.23Å; E594-Y599 WeakPolarHBondContact OE1-CD2 3.39Å; E594-G600 PolarHBondContact OE1-N 2.68Å; E594-G600 VanDerWaalsContact OE1-N 3.1Å; E594-G601 PolarHBondContact N-O 2.97Å
595A85Confident88.3Confident56 Ų5642.4 Ų42.446%0.46323%0.232SC..Hα-helixtrans-72.5-4.1175.400000115.1L591 N654L591-A595 WeakPolarHBondContact O-CB 3.38Å; L591-A595 PolarHBondContact O-N 2.89Å; A595-N654 PolarHBondContact O-ND2 2.97Å
596I83.9Confident88.5Confident6 Ų640.4 Ų40.43%0.03122%0.223CC..Hα-helixtrans-115.3-46.7176.5-66.3163.2000110.6Q592 C593 E594 L643 P652 V653 T678 H690Q592-I596 WeakPolarHBondContact O-CD1 3.37Å; Q592-I596 WeakPolarHBondContact O-CG1 3.33Å; Q592-I596 PolarHBondContact O-N 2.82Å; C593-I596 PolarHBondContact O-N 3.01Å; E594-I596 PolarHBondContact O-N 3.44Å; I596-L643 HydrophobicContact CD1-CD2 3.66Å; I596-P652 HydrophobicContact CG2-CB 4.34Å; I596-P652 CarbonylContact O-C 3.5Å; I596-P652 WeakPolarHBondContact O-CA 3.42Å; I596-V653 PolarHBondContact O-N 2.87Å; I596-T678 HydrophobicContact CG2-CG2 4.31Å; I596-H690 VanDerWaalsContact CD1-O 3.23Å; I596-H690 WeakPolarHBondContact CD1-O 3.19Å
597W87.1Confident88.6Confident2 Ų242.7 Ų42.71%0.00823%0.232CC..Hα-helixtrans-100.19.6-175.8-5697.2000113.3C593 E649 P652 Y661 K676C593-W597 PolarHBondContact O-N 2.9Å; W597-E649 WeakPolarHBondContact O-CB 3.21Å; W597-E649 PolarHBondContact O-N 3Å; W597-P652 HydrophobicContact CH2-CG 4.29Å; W597-P652 HydrophobicContact CZ3-CG 4.2Å; W597-Y661 HydrophobicContact CH2-CD2 4.2Å; W597-Y661 HydrophobicContact CH2-CG 4.43Å; W597-Y661 HydrophobicContact CZ3-CD2 4.46Å; W597-K676 HydrophobicContact CD2-CB 4.37Å; W597-K676 HydrophobicContact CD2-CD 3.84Å; W597-K676 HydrophobicContact CE3-CD 3.86Å; W597-K676 HydrophobicContact CG-CD 4.37Å; W597-K676 HydrophobicContact CH2-CB 3.95Å; W597-K676 HydrophobicContact CH2-CD 4.36Å; W597-K676 HydrophobicContact CZ2-CB 3.55Å; W597-K676 HydrophobicContact CZ2-CD 4.39Å; W597-K676 HydrophobicContact CZ3-CD 4.1Å
598G84.2Confident88.8Confident13 Ų1342.1 Ų42.113%0.13423%0.229CC..  trans70.7-175.5-178.600000113.9E594 G600 G601E594-G598 CarbonylContact O-C 3.49Å; E594-G598 WeakPolarHBondContact O-CA 3.27Å; E594-G598 PolarHBondContact O-N 3.04Å; G598-G600 PolarHBondContact O-N 2.99Å; G598-G601 PolarHBondContact O-N 2.7Å
599Y86.2Confident89Confident216 Ų21641.9 Ų41.985%0.84723%0.227SC*.THydrogen-bonded Turntrans-52.4126.5-173.5-178.2-103.3000112.8E594 G601E594-Y599 WeakPolarHBondContact OE1-CA 3.22Å; E594-Y599 VanDerWaalsContact OE1-CD2 3.23Å; E594-Y599 WeakPolarHBondContact OE1-CD2 3.39Å; Y599-G601 VanDerWaalsContact C-N 3.35Å
600G84.8Confident89.2Confident39 Ų3944.6 Ų44.640%0.40224%0.239SC..THydrogen-bonded Turntrans81.74-176.600000115.6E594 G598 D647 G648E594-G600 PolarHBondContact OE1-N 2.68Å; E594-G600 VanDerWaalsContact OE1-N 3.1Å; G598-G600 PolarHBondContact O-N 2.99Å; G600-D647 VanDerWaalsContact O-CB 3.28Å; G600-D647 WeakPolarHBondContact O-CB 3.47Å; G600-G648 PolarHBondContact O-N 3.18Å
601G86.6Confident89.2Confident4 Ų446 Ų464%0.04124%0.239CC..EExtended strand (participates in β ladder)trans-63.7133.1161.500000110.6E594 G598 Y599E594-G601 PolarHBondContact N-O 2.97Å; G598-G601 PolarHBondContact O-N 2.7Å; Y599-G601 VanDerWaalsContact C-N 3.35Å
602S91.3Very high89.5Confident30 Ų3042.8 Ų42.821%0.2122%0.222CC..EExtended strand (participates in β ladder)trans-136.6164.3-176.377.10000112.7C593 A604 C645 K646C593-S602 PolarHBondContact SG-O 3.41Å; C593-S602 VanDerWaalsContact SG-O 3.38Å; S602-A604 PolarHBondContact O-N 3.38Å; S602-C645 CarbonylContact O-C 3.48Å; S602-C645 VanDerWaalsContact O-CA 3.24Å; S602-C645 WeakPolarHBondContact O-CA 3.15Å; S602-K646 PolarHBondContact N-O 3.39Å; S602-K646 PolarHBondContact O-N 3.33Å; S602-K646 VanDerWaalsContact O-O 3.12Å; S602-K646 WeakPolarHBondContact OG-CG 3.26Å
603A91.3Very high89.7Confident23 Ų2342 Ų4219%0.1922%0.218CC..EExtended strand (participates in β ladder)trans-63129.6177.300000111.2L589 K646L589-A603 HydrophobicContact CB-CB 3.58Å; L589-A603 HydrophobicContact CD1-CB 4.45Å; A603-K646 VanDerWaalsContact O-CE 3.25Å; A603-K646 WeakPolarHBondContact O-CE 3.36Å
604A92.2Very high89.8Confident8 Ų844.6 Ų44.67%0.06624%0.236CC..PPolyproline II helixtrans-64.3157.5174.400000111.7S602 C608 Y609 Q644S602-A604 PolarHBondContact O-N 3.38Å; A604-C608 HydrophobicContact CB-CB 3.85Å; A604-Y609 HydrophobicContact CB-CE2 4.36Å; A604-Y609 WeakPolarHBondContact O-CE2 3.01Å; A604-Q644 VanDerWaalsContact CB-C 3.45Å; A604-Q644 HydrophobicContact CB-CB 3.85Å; A604-Q644 VanDerWaalsContact CB-O 3.24Å; A604-Q644 WeakPolarHBondContact CB-O 3.4Å; A604-Q644 PolarHBondContact N-O 3.11Å
605D93Very high89.8Confident51 Ų5147.1 Ų47.127%0.27325%0.246SC..PPolyproline II helixtrans-62.6148.2174.9-54.5-90.5000110.9Q607 C608 K646 F673D605-Q607 PolarHBondContact O-N 3.12Å; D605-C608 WeakPolarHBondContact O-CB 3.33Å; D605-C608 PolarHBondContact O-N 2.55Å; D605-K646 IonicContact OD1-NZ 2.74Å; D605-K646 PolarHBondContact OD1-NZ 3.35Å; D605-K646 VanDerWaalsContact OD1-NZ 3.12Å; D605-K646 IonicContact OD2-NZ 3.12Å; D605-K646 PolarHBondContact OD2-NZ 3.01Å; D605-F673 HydrophobicContact CB-CD1 3.62Å; D605-F673 HydrophobicContact CB-CE1 3.95Å
606R91.4Very high89.8Confident119 Ų11945.4 Ų45.445%0.44923%0.234SC..Hα-helixtrans-51.7-28.7-175.2179.1173.3162.3123.48.3113.5C608 Y609 E610R606-C608 VanDerWaalsContact C-N 3.26Å; R606-C608 PolarHBondContact O-N 2.92Å; R606-Y609 WeakPolarHBondContact O-CB 2.95Å; R606-Y609 PolarHBondContact O-N 3.25Å; R606-Y609 VanDerWaalsContact O-N 3.17Å; R606-E610 HydrophobicContact CG-CG 4.22Å; R606-E610 IonicContact CZ-OE1 3.29Å; R606-E610 VanDerWaalsContact CZ-OE1 3.29Å; R606-E610 IonicContact NE-OE1 3.15Å; R606-E610 PolarHBondContact NE-OE1 2.84Å; R606-E610 IonicContact NH2-OE1 2.92Å; R606-E610 PolarHBondContact NH2-OE1 2.96Å; R606-E610 PolarHBondContact O-N 3.04Å
607Q92.3Very high89.9Confident63 Ų6346.9 Ų46.929%0.29425%0.245SC..Hα-helixtrans-51.4-38.6171.2-72.682.4-23.100113.3D605 Q611 I668 F673D605-Q607 PolarHBondContact O-N 3.12Å; Q607-Q611 WeakPolarHBondContact O-CB 3.29Å; Q607-Q611 WeakPolarHBondContact O-CG 3.42Å; Q607-Q611 PolarHBondContact O-N 3Å; Q607-I668 HydrophobicContact CB-CD1 4.03Å; Q607-I668 HydrophobicContact CG-CD1 4.13Å; Q607-F673 HydrophobicContact CB-CD1 4.45Å; Q607-F673 HydrophobicContact CB-CD2 4.43Å; Q607-F673 HydrophobicContact CB-CG 4.38Å; Q607-F673 HydrophobicContact CG-CD2 4.47Å; Q607-F673 HydrophobicContact CG-CE1 4.16Å; Q607-F673 HydrophobicContact CG-CE2 4.11Å; Q607-F673 HydrophobicContact CG-CZ 3.93Å
608C93.3Very high89.6Confident0 Ų050.1 Ų50.10%026%0.262CS..Hα-helixtrans-67-50.2175.8-67.50000111A604 D605 R606 E610 Q611 F612 Q644 E674 C675A604-C608 HydrophobicContact CB-CB 3.85Å; D605-C608 WeakPolarHBondContact O-CB 3.33Å; D605-C608 PolarHBondContact O-N 2.55Å; R606-C608 VanDerWaalsContact C-N 3.26Å; R606-C608 PolarHBondContact O-N 2.92Å; C608-E610 PolarHBondContact O-N 2.83Å; C608-Q611 PolarHBondContact O-N 3.13Å; C608-Q611 VanDerWaalsContact O-N 3.15Å; C608-F612 WeakPolarHBondContact O-CD2 3.37Å; C608-F612 PolarHBondContact O-N 3.38Å; C608-Q644 HydrophobicContact CB-CB 3.9Å; C608-Q644 HydrophobicContact CB-CG 4.19Å; C608-E674 PolarHBondContact SG-O 3.25Å; C608-E674 VanDerWaalsContact SG-O 3.35Å; C608-C675 HydrophobicContact CB-CB 3.7Å; C608-C675 WeakPolarHBondContact CB-SG 3.39Å; C608-C675 VanDerWaalsContact SG-CA 3.57Å; C608-C675 WeakPolarHBondContact SG-CB 3.22Å; C608-C675 CovalentContact SG-SG 2.03Å; C608-C675 PolarHBondContact SG-SG 2.99Å
609Y93.7Very high89.5Confident1 Ų152.1 Ų52.10%0.00427%0.27CS..Hα-helixtrans-56.1-49176.7-68.8-93.3000111.3A604 R606 Q611 N613 V638 Q644 V693A604-Y609 HydrophobicContact CB-CE2 4.36Å; A604-Y609 WeakPolarHBondContact O-CE2 3.01Å; R606-Y609 WeakPolarHBondContact O-CB 2.95Å; R606-Y609 PolarHBondContact O-N 3.25Å; R606-Y609 VanDerWaalsContact O-N 3.17Å; Y609-Q611 VanDerWaalsContact C-N 3.33Å; Y609-Q611 PolarHBondContact O-N 2.8Å; Y609-N613 VanDerWaalsContact O-CB 3.3Å; Y609-N613 WeakPolarHBondContact O-CB 3.35Å; Y609-N613 PolarHBondContact O-N 2.93Å; Y609-V638 WeakPolarHBondContact CD1-O 3.45Å; Y609-Q644 HydrophobicContact CD1-CB 4.35Å; Y609-Q644 HydrophobicContact CD1-CG 4.05Å; Y609-Q644 HydrophobicContact CD2-CB 3.97Å; Y609-Q644 HydrophobicContact CD2-CG 4.29Å; Y609-Q644 HydrophobicContact CE1-CB 4.11Å; Y609-Q644 HydrophobicContact CE1-CG 4.17Å; Y609-Q644 HydrophobicContact CE2-CB 3.68Å; Y609-Q644 HydrophobicContact CE2-CG 4.38Å; Y609-Q644 WeakPolarHBondContact CE2-O 3.26Å; Y609-Q644 HydrophobicContact CG-CB 4.29Å; Y609-Q644 HydrophobicContact CG-CG 4.11Å; Y609-Q644 PolarHBondContact OH-N 2.86Å; Y609-Q644 VanDerWaalsContact OH-N 3.14Å; Y609-Q644 PolarHBondContact OH-O 3.42Å; Y609-V693 HydrophobicContact CE1-CG2 4.25Å
610E93Very high89.6Confident82 Ų8241.9 Ų41.938%0.38323%0.229SC..Hα-helixtrans-64.1-32.6177.6-72.4178.5172.500113.4R606 C608 S614 V638R606-E610 HydrophobicContact CG-CG 4.22Å; R606-E610 IonicContact CZ-OE1 3.29Å; R606-E610 VanDerWaalsContact CZ-OE1 3.29Å; R606-E610 IonicContact NE-OE1 3.15Å; R606-E610 PolarHBondContact NE-OE1 2.84Å; R606-E610 IonicContact NH2-OE1 2.92Å; R606-E610 PolarHBondContact NH2-OE1 2.96Å; R606-E610 PolarHBondContact O-N 3.04Å; C608-E610 PolarHBondContact O-N 2.83Å; E610-S614 WeakPolarHBondContact O-CB 3.4Å; E610-S614 PolarHBondContact O-OG 2.73Å; E610-V638 HydrophobicContact CG-CG2 4.01Å
611Q90.5Very high89.9Confident87 Ų8740.5 Ų40.541%0.40721%0.213SC..Hα-helixtrans-84.5-29.4-179.8-77.8-67.6-34.400114.6Q607 C608 Y609 K615 I666 I668Q607-Q611 WeakPolarHBondContact O-CB 3.29Å; Q607-Q611 WeakPolarHBondContact O-CG 3.42Å; Q607-Q611 PolarHBondContact O-N 3Å; C608-Q611 PolarHBondContact O-N 3.13Å; C608-Q611 VanDerWaalsContact O-N 3.15Å; Y609-Q611 VanDerWaalsContact C-N 3.33Å; Y609-Q611 PolarHBondContact O-N 2.8Å; Q611-K615 VanDerWaalsContact O-CD 3.29Å; Q611-K615 WeakPolarHBondContact O-CD 3.1Å; Q611-K615 WeakPolarHBondContact O-CE 3.46Å; Q611-K615 PolarHBondContact O-NZ 3.36Å; Q611-I666 HydrophobicContact CB-CD1 4.13Å; Q611-I666 HydrophobicContact CG-CD1 4Å; Q611-I668 HydrophobicContact CG-CD1 3.96Å
612F91.8Very high90.1Very high18 Ų1841 Ų418%0.07922%0.215CC..Hα-helixtrans-102.6-49.8-176.3-72.6-77.8000112.1C608 S614 K615 N619 G620 T664 I666 C675C608-F612 WeakPolarHBondContact O-CD2 3.37Å; C608-F612 PolarHBondContact O-N 3.38Å; F612-S614 VanDerWaalsContact C-N 3.29Å; F612-S614 PolarHBondContact O-N 3.19Å; F612-K615 WeakPolarHBondContact O-CB 3.32Å; F612-K615 PolarHBondContact O-N 2.92Å; F612-K615 VanDerWaalsContact O-N 3.07Å; F612-N619 HydrophobicContact CD1-CB 4.16Å; F612-G620 CarbonylContact O-C 3.58Å; F612-T664 HydrophobicContact CZ-CG2 3.96Å; F612-I666 HydrophobicContact CE2-CD1 4.49Å; F612-I666 HydrophobicContact CE2-CG2 3.92Å; F612-I666 HydrophobicContact CZ-CG2 3.99Å; F612-C675 HydrophobicContact CD2-CB 4.14Å; F612-C675 HydrophobicContact CE2-CB 3.75Å
613N93.2Very high89.9Confident0 Ų039.9 Ų39.90%021%0.208CC..G310 helixtrans-71.8-25.3-170.2-62.7-0.8000112.8Y609 K615 G620 C633 V638 T642 Q644Y609-N613 VanDerWaalsContact O-CB 3.3Å; Y609-N613 WeakPolarHBondContact O-CB 3.35Å; Y609-N613 PolarHBondContact O-N 2.93Å; N613-K615 PolarHBondContact O-N 3.4Å; N613-G620 WeakPolarHBondContact OD1-CA 3.28Å; N613-C633 HydrophobicContact CB-CB 4.2Å; N613-C633 WeakPolarHBondContact O-CB 3.38Å; N613-C633 PolarHBondContact O-N 3.44Å; N613-C633 PolarHBondContact O-SG 3.05Å; N613-V638 PolarHBondContact ND2-O 3.41Å; N613-T642 PolarHBondContact ND2-N 2.77Å; N613-T642 PolarHBondContact ND2-O 3.2Å; N613-T642 PolarHBondContact OD1-O 2.96Å; N613-Q644 PolarHBondContact OD1-NE2 3.02Å
614S92.2Very high89.6Confident55 Ų5542.3 Ų42.339%0.38521%0.213SC..G310 helixtrans-67.6-13.1172.362.10000114.7E610 F612E610-S614 WeakPolarHBondContact O-CB 3.4Å; E610-S614 PolarHBondContact O-OG 2.73Å; F612-S614 VanDerWaalsContact C-N 3.29Å; F612-S614 PolarHBondContact O-N 3.19Å
615K89.1Confident89.3Confident116 Ų11644.9 Ų44.950%0.50423%0.225SC..G310 helixtrans-85.7-27.2-175.1-69.6173.5174.2140.50114.2Q611 F612 N613Q611-K615 VanDerWaalsContact O-CD 3.29Å; Q611-K615 WeakPolarHBondContact O-CD 3.1Å; Q611-K615 WeakPolarHBondContact O-CE 3.46Å; Q611-K615 PolarHBondContact O-NZ 3.36Å; F612-K615 WeakPolarHBondContact O-CB 3.32Å; F612-K615 PolarHBondContact O-N 2.92Å; F612-K615 VanDerWaalsContact O-N 3.07Å; N613-K615 PolarHBondContact O-N 3.4Å
616G85Confident88.9Confident21 Ų2147.5 Ų47.522%0.21625%0.254CS..  trans65.562.4-173.500000111.5G620G616-G620 PolarHBondContact N-O 3.05Å
617S84.9Confident88.5Confident37 Ų3747.3 Ų47.326%0.25926%0.262SS..BIsolated β-bridgetrans-143.8167.4-174.368.90000111.3N619 G620 H621S617-N619 PolarHBondContact O-N 3.3Å; S617-G620 PolarHBondContact N-O 3.3Å; S617-G620 CarbonylContact O-C 3.5Å; S617-G620 PolarHBondContact O-N 3.18Å; S617-G620 VanDerWaalsContact O-O 3.04Å; S617-H621 PolarHBondContact O-CD2 3.29Å; S617-H621 VanDerWaalsContact O-CD2 3.27Å
618I82Confident87.9Confident69 Ų6951.3 Ų51.335%0.35428%0.281SS..THydrogen-bonded Turntrans-54.8-25.5178.2-169.5165.8000114.6Y630 L660 S679I618-Y630 HydrophobicContact CB-CE1 4.43Å; I618-Y630 HydrophobicContact CB-CE2 4.02Å; I618-L660 HydrophobicContact CD1-CD2 4.29Å; I618-S679 WeakPolarHBondContact O-CB 3.42Å
619N81.8Confident87.5Confident56 Ų5657.6 Ų57.630%0.29931%0.31SS..THydrogen-bonded Turntrans-91.6-1177.1-62.9-10.6000113.7F612 S617 Q644F612-N619 HydrophobicContact CD1-CB 4.16Å; S617-N619 PolarHBondContact O-N 3.3Å; N619-Q644 PolarHBondContact O-NE2 2.86Å; N619-Q644 VanDerWaalsContact O-NE2 3.14Å
620G88.3Confident87.2Confident0 Ų060.8 Ų60.80%032%0.322CS..BIsolated β-bridgetrans174.9110.3-173.400000113.2F612 N613 G616 S617 T642F612-G620 CarbonylContact O-C 3.58Å; N613-G620 WeakPolarHBondContact OD1-CA 3.28Å; G616-G620 PolarHBondContact N-O 3.05Å; S617-G620 PolarHBondContact N-O 3.3Å; S617-G620 CarbonylContact O-C 3.5Å; S617-G620 PolarHBondContact O-N 3.18Å; S617-G620 VanDerWaalsContact O-O 3.04Å; G620-T642 WeakPolarHBondContact CA-OG1 3.41Å
621H91.2Very high87Confident11 Ų1160.3 Ų60.35%0.05132%0.322CS..  trans-157.9168.3-176.762.2105.1000111.7S617 G623 Y630 I631 C633 G641 T642S617-H621 PolarHBondContact O-CD2 3.29Å; S617-H621 VanDerWaalsContact O-CD2 3.27Å; H621-G623 PolarHBondContact ND1-N 3.35Å; H621-G623 PolarHBondContact ND1-O 3.26Å; H621-Y630 HydrophobicContact CB-CD1 3.98Å; H621-Y630 HydrophobicContact CB-CG 4.45Å; H621-Y630 AromaticContact CD2-CD1 3.6Å; H621-Y630 AromaticContact CD2-CE1 3.89Å; H621-Y630 AromaticContact CE1-CD1 3.86Å; H621-Y630 AromaticContact CE1-CE1 3.97Å; H621-Y630 AromaticContact CG-CD1 3.51Å; H621-Y630 AromaticContact ND1-CD1 3.66Å; H621-Y630 AromaticContact NE2-CD1 3.84Å; H621-Y630 AromaticContact NE2-CE1 3.74Å; H621-I631 CarbonylContact C-O 3.59Å; H621-I631 VanDerWaalsContact CA-O 3.26Å; H621-I631 WeakPolarHBondContact CA-O 3.48Å; H621-I631 VanDerWaalsContact CB-O 3.28Å; H621-I631 WeakPolarHBondContact CB-O 3.34Å; H621-C633 VanDerWaalsContact C-SG 3.54Å; H621-G641 CarbonylContact O-C 3.52Å; H621-G641 WeakPolarHBondContact O-CA 3.49Å; H621-T642 PolarHBondContact CD2-OG1 2.79Å; H621-T642 PolarHBondContact N-OG1 3.49Å; H621-T642 PolarHBondContact O-N 2.89Å; H621-T642 PolarHBondContact O-OG1 2.91Å
622C91.6Very high87.2Confident13 Ų1363.3 Ų63.39%0.08833%0.333CS..SBendtrans-110.670171.6-85.20000109.6I631 C633 Q708C622-I631 HydrophobicContact CB-CG2 4.44Å; C622-I631 PolarHBondContact N-O 2.75Å; C622-I631 WeakPolarHBondContact O-CB 3.4Å; C622-C633 VanDerWaalsContact CA-SG 3.58Å; C622-C633 HydrophobicContact CB-CB 4.12Å; C622-C633 WeakPolarHBondContact CB-SG 3.26Å; C622-C633 PolarHBondContact N-SG 2.42Å; C622-C633 VanDerWaalsContact N-SG 3.38Å; C622-C633 VanDerWaalsContact SG-CA 3.56Å; C622-C633 WeakPolarHBondContact SG-CB 3.15Å; C622-C633 CovalentContact SG-SG 2.03Å; C622-C633 PolarHBondContact SG-SG 3.32Å; C622-Q708 HydrophobicContact CB-CB 4.05Å
623G86.6Confident87.3Confident7 Ų762.9 Ų62.97%0.07233%0.332CS..  trans76.2-167.6-174.300000114.2H621 I631H621-G623 PolarHBondContact ND1-N 3.35Å; H621-G623 PolarHBondContact ND1-O 3.26Å; G623-I631 PolarHBondContact O-N 2.8Å; G623-I631 VanDerWaalsContact O-N 3.12Å
624R85.6Confident87.3Confident75 Ų7568.9 Ų68.928%0.28336%0.36SS..BIsolated β-bridgetrans-126153.5176-66.3-177.8-176.2158.45.9109.9H629 Y630 Q681R624-H629 CarbonylContact C-O 3.52Å; R624-H629 VanDerWaalsContact CA-O 3.28Å; R624-H629 WeakPolarHBondContact CA-O 3.46Å; R624-Y630 HydrophobicContact CG-CD1 4.06Å; R624-Y630 HydrophobicContact CG-CE1 4.21Å; R624-Y630 PolarHBondContact NH2-OH 3.18Å; R624-Q681 VanDerWaalsContact NH1-CD 3.3Å
625D84.2Confident87.2Confident61 Ų6171.2 Ų71.233%0.32638%0.375SS..  trans-81.9175.5172.288.7-22000112.3N627 E628 H629 I631D625-N627 PolarHBondContact O-N 3.36Å; D625-N627 VanDerWaalsContact OD1-CA 3.27Å; D625-N627 WeakPolarHBondContact OD1-CA 3.47Å; D625-N627 WeakPolarHBondContact OD1-CB 3.19Å; D625-N627 PolarHBondContact OD1-N 2.9Å; D625-N627 PolarHBondContact OD2-ND2 2.86Å; D625-E628 PolarHBondContact O-N 2.74Å; D625-E628 PolarHBondContact OD1-N 3Å; D625-H629 PolarHBondContact N-O 3.39Å; D625-H629 WeakPolarHBondContact OD1-CB 3.3Å; D625-H629 PolarHBondContact OD1-N 2.69Å; D625-H629 IonicContact OD1-ND1 2.73Å; D625-I631 HydrophobicContact CB-CD1 4.36Å; D625-I631 HydrophobicContact CB-CG1 4.33Å
626A84.4Confident87.4Confident107 Ų10773.6 Ų73.688%0.88439%0.387SS*.THydrogen-bonded Turntrans-66.5-3.6178.100000114.6
627N83.5Confident87.8Confident114 Ų11473.6 Ų73.661%0.6138%0.383SS*.THydrogen-bonded Turntrans-108.817.1173.9-47.1-76.4000111.2D625 H629D625-N627 PolarHBondContact O-N 3.36Å; D625-N627 VanDerWaalsContact OD1-CA 3.27Å; D625-N627 WeakPolarHBondContact OD1-CA 3.47Å; D625-N627 WeakPolarHBondContact OD1-CB 3.19Å; D625-N627 PolarHBondContact OD1-N 2.9Å; D625-N627 PolarHBondContact OD2-ND2 2.86Å; N627-H629 PolarHBondContact O-CE1 3.38Å; N627-H629 PolarHBondContact O-N 3.45Å; N627-H629 PolarHBondContact O-ND1 2.83Å
628E79.9Confident88.2Confident148 Ų14872.1 Ų72.169%0.69237%0.372SS*.SBendtrans62.712-175.6-52.3-167.2135.500116.1D625D625-E628 PolarHBondContact O-N 2.74Å; D625-E628 PolarHBondContact OD1-N 3Å
629H85.5Confident88.7Confident131 Ų13170.7 Ų70.761%0.60636%0.363SS*.PPolyproline II helixtrans-79.9136.1179.4-68.460.4000111.5R624 D625 N627 I631R624-H629 CarbonylContact C-O 3.52Å; R624-H629 VanDerWaalsContact CA-O 3.28Å; R624-H629 WeakPolarHBondContact CA-O 3.46Å; D625-H629 PolarHBondContact N-O 3.39Å; D625-H629 WeakPolarHBondContact OD1-CB 3.3Å; D625-H629 PolarHBondContact OD1-N 2.69Å; D625-H629 IonicContact OD1-ND1 2.73Å; N627-H629 PolarHBondContact O-CE1 3.38Å; N627-H629 PolarHBondContact O-N 3.45Å; N627-H629 PolarHBondContact O-ND1 2.83Å; H629-I631 PolarHBondContact O-N 2.89Å
630Y86.9Confident89.3Confident68 Ų6868 Ų6827%0.26735%0.349SS..BIsolated β-bridgetrans-66.1123.1178.6-68.3-74.5000112.1I618 H621 R624I618-Y630 HydrophobicContact CB-CE1 4.43Å; I618-Y630 HydrophobicContact CB-CE2 4.02Å; H621-Y630 HydrophobicContact CB-CD1 3.98Å; H621-Y630 HydrophobicContact CB-CG 4.45Å; H621-Y630 AromaticContact CD2-CD1 3.6Å; H621-Y630 AromaticContact CD2-CE1 3.89Å; H621-Y630 AromaticContact CE1-CD1 3.86Å; H621-Y630 AromaticContact CE1-CE1 3.97Å; H621-Y630 AromaticContact CG-CD1 3.51Å; H621-Y630 AromaticContact ND1-CD1 3.66Å; H621-Y630 AromaticContact NE2-CD1 3.84Å; H621-Y630 AromaticContact NE2-CE1 3.74Å; R624-Y630 HydrophobicContact CG-CD1 4.06Å; R624-Y630 HydrophobicContact CG-CE1 4.21Å; R624-Y630 PolarHBondContact NH2-OH 3.18Å
631I89.8Confident89.5Confident73 Ų7368 Ų6837%0.37435%0.349SS..PPolyproline II helixtrans-81.4130.3179.5-61.6171.4000109.3H621 C622 G623 D625 H629H621-I631 CarbonylContact C-O 3.59Å; H621-I631 VanDerWaalsContact CA-O 3.26Å; H621-I631 WeakPolarHBondContact CA-O 3.48Å; H621-I631 VanDerWaalsContact CB-O 3.28Å; H621-I631 WeakPolarHBondContact CB-O 3.34Å; C622-I631 HydrophobicContact CB-CG2 4.44Å; C622-I631 PolarHBondContact N-O 2.75Å; C622-I631 WeakPolarHBondContact O-CB 3.4Å; G623-I631 PolarHBondContact O-N 2.8Å; G623-I631 VanDerWaalsContact O-N 3.12Å; D625-I631 HydrophobicContact CB-CD1 4.36Å; D625-I631 HydrophobicContact CB-CG1 4.33Å; H629-I631 PolarHBondContact O-N 2.89Å
632K92.7Very high89.5Confident149 Ų14967.5 Ų67.565%0.64835%0.347SS*.PPolyproline II helixtrans-72.7136.4171.365-179.3-176173.30110.4
633C93.9Very high89.6Confident9 Ų967.2 Ų67.26%0.06134%0.344CS..PPolyproline II helixtrans-74.8141.7171.8-60.60000111.4N613 H621 C622 V638N613-C633 HydrophobicContact CB-CB 4.2Å; N613-C633 WeakPolarHBondContact O-CB 3.38Å; N613-C633 PolarHBondContact O-N 3.44Å; N613-C633 PolarHBondContact O-SG 3.05Å; H621-C633 VanDerWaalsContact C-SG 3.54Å; C622-C633 VanDerWaalsContact CA-SG 3.58Å; C622-C633 HydrophobicContact CB-CB 4.12Å; C622-C633 WeakPolarHBondContact CB-SG 3.26Å; C622-C633 PolarHBondContact N-SG 2.42Å; C622-C633 VanDerWaalsContact N-SG 3.38Å; C622-C633 VanDerWaalsContact SG-CA 3.56Å; C622-C633 WeakPolarHBondContact SG-CB 3.15Å; C622-C633 CovalentContact SG-SG 2.03Å; C622-C633 PolarHBondContact SG-SG 3.32Å; C633-V638 HydrophobicContact CB-CG1 4.35Å
634E93.1Very high89.9Confident126 Ų12667 Ų6759%0.58934%0.341SS*.PPolyproline II helixtrans-75158.8166.7-60.6-169.7131.200110.9E636 N637 V638E634-E636 PolarHBondContact O-N 2.93Å; E634-E636 VanDerWaalsContact O-N 3.08Å; E634-N637 CarbonylContact O-C 3.59Å; E634-N637 PolarHBondContact O-N 2.76Å; E634-V638 WeakPolarHBondContact O-CG1 3.47Å; E634-V638 PolarHBondContact O-N 2.72Å; E634-V638 VanDerWaalsContact O-N 3.17Å
635P91.5Very high90.2Very high105 Ų10563.4 Ų63.468%0.68233%0.328SS*.THydrogen-bonded Turntrans-56.9-27.9-174.3-27.636.8000115.3
636E91.9Very high90.6Very high165 Ų16562.7 Ų62.777%0.77132%0.322SS*.THydrogen-bonded Turntrans-80.3-29177-69.6159.3-139.800111.7E634 C710E634-E636 PolarHBondContact O-N 2.93Å; E634-E636 VanDerWaalsContact O-N 3.08Å; E636-C710 VanDerWaalsContact O-CB 3.31Å; E636-C710 WeakPolarHBondContact O-CB 3.39Å
637N93.9Very high90.9Very high22 Ų2261.8 Ų61.812%0.11830%0.303CS..THydrogen-bonded Turntrans-95-1.1-175.1-63.1-38.1000113.6E634 Q639 C640 T709 C710E634-N637 CarbonylContact O-C 3.59Å; E634-N637 PolarHBondContact O-N 2.76Å; N637-Q639 PolarHBondContact O-N 1.96Å; N637-Q639 VanDerWaalsContact O-N 3.1Å; N637-C640 PolarHBondContact O-N 2.52Å; N637-T709 WeakPolarHBondContact OD1-CA 3.47Å; N637-C710 PolarHBondContact OD1-N 2.58Å
638V94.1Very high91Very high5 Ų557.9 Ų57.93%0.0329%0.289CS..G310 helixtrans-56.9-31.1-173.4-63.60000114.3Y609 E610 N613 C633 E634 C640Y609-V638 WeakPolarHBondContact CD1-O 3.45Å; E610-V638 HydrophobicContact CG-CG2 4.01Å; N613-V638 PolarHBondContact ND2-O 3.41Å; C633-V638 HydrophobicContact CB-CG1 4.35Å; E634-V638 WeakPolarHBondContact O-CG1 3.47Å; E634-V638 PolarHBondContact O-N 2.72Å; E634-V638 VanDerWaalsContact O-N 3.17Å; V638-C640 VanDerWaalsContact C-N 3.28Å; V638-C640 PolarHBondContact O-N 3.01Å
639Q92.8Very high91.2Very high39 Ų3956.3 Ų56.318%0.18228%0.282CS..G310 helixtrans-81.5-2.3178.3-64.2-167.2-94.600114N637 C699N637-Q639 PolarHBondContact O-N 1.96Å; N637-Q639 VanDerWaalsContact O-N 3.1Å; Q639-C699 HydrophobicContact CB-CB 4.22Å; Q639-C699 PolarHBondContact OE1-O 2.73Å
640C94.1Very high91Very high0 Ų059.2 Ų59.20%029%0.287CS..G310 helixtrans-113.62.9-179.7-58.20000113.9N637 V638 C705 Q708N637-C640 PolarHBondContact O-N 2.52Å; V638-C640 VanDerWaalsContact C-N 3.28Å; V638-C640 PolarHBondContact O-N 3.01Å; C640-C705 WeakPolarHBondContact CA-SG 3.38Å; C640-C705 HydrophobicContact CB-CB 3.64Å; C640-C705 WeakPolarHBondContact CB-SG 3.37Å; C640-C705 WeakPolarHBondContact SG-CA 3.32Å; C640-C705 WeakPolarHBondContact SG-CB 3.44Å; C640-C705 CovalentContact SG-SG 2.04Å; C640-C705 PolarHBondContact SG-SG 2.98Å; C640-Q708 WeakPolarHBondContact CB-O 3.06Å; C640-Q708 VanDerWaalsContact O-CA 3.31Å; C640-Q708 WeakPolarHBondContact O-CA 3.5Å; C640-Q708 VanDerWaalsContact O-CB 3.31Å; C640-Q708 WeakPolarHBondContact O-CB 3.35Å; C640-Q708 WeakPolarHBondContact O-CG 3.39Å
641G92.4Very high90.6Very high0 Ų061.1 Ų61.10%030%0.298CS..SBendtrans-82.1-143172.100000113.2H621 L643 V693H621-G641 CarbonylContact O-C 3.52Å; H621-G641 WeakPolarHBondContact O-CA 3.49Å; G641-L643 PolarHBondContact O-N 2.82Å; G641-V693 WeakPolarHBondContact O-CG2 3.36Å; G641-V693 PolarHBondContact O-N 3.44Å
642T91.9Very high90.1Very high1 Ų158.1 Ų58.11%0.00628%0.284CS..BIsolated β-bridgetrans-54.1129.5172.6-47.30000111.2N613 G620 H621 Q644 A677 G691N613-T642 PolarHBondContact ND2-N 2.77Å; N613-T642 PolarHBondContact ND2-O 3.2Å; N613-T642 PolarHBondContact OD1-O 2.96Å; G620-T642 WeakPolarHBondContact CA-OG1 3.41Å; H621-T642 PolarHBondContact CD2-OG1 2.79Å; H621-T642 PolarHBondContact N-OG1 3.49Å; H621-T642 PolarHBondContact O-N 2.89Å; H621-T642 PolarHBondContact O-OG1 2.91Å; T642-Q644 PolarHBondContact O-N 2.82Å; T642-A677 HydrophobicContact CG2-CB 4.06Å; T642-G691 CarbonylContact C-O 3.58Å; T642-G691 VanDerWaalsContact CA-O 3.26Å; T642-G691 WeakPolarHBondContact CA-O 3.49Å; T642-G691 VanDerWaalsContact CG2-O 3.26Å; T642-G691 WeakPolarHBondContact CG2-O 3.15Å
643L92.4Very high89.4Confident6 Ų655.1 Ų55.13%0.03128%0.278CS..  trans-65.8124.9176.9-178.876.3000109.7L589 Q592 I596 G641 G691 V693L589-L643 HydrophobicContact CD2-CD1 3.79Å; Q592-L643 HydrophobicContact CB-CD1 4.15Å; Q592-L643 HydrophobicContact CB-CD2 3.79Å; I596-L643 HydrophobicContact CD1-CD2 3.66Å; G641-L643 PolarHBondContact O-N 2.82Å; L643-G691 PolarHBondContact N-O 2.74Å; L643-V693 HydrophobicContact CB-CG2 4.03Å; L643-V693 HydrophobicContact CD1-CG2 3.8Å
644Q92.8Very high88.2Confident2 Ų257.5 Ų57.51%0.00929%0.29CS..  trans-110125.1176.1-53.7-72.4-32.100108.9A604 C608 Y609 N613 N619 T642A604-Q644 VanDerWaalsContact CB-C 3.45Å; A604-Q644 HydrophobicContact CB-CB 3.85Å; A604-Q644 VanDerWaalsContact CB-O 3.24Å; A604-Q644 WeakPolarHBondContact CB-O 3.4Å; A604-Q644 PolarHBondContact N-O 3.11Å; C608-Q644 HydrophobicContact CB-CB 3.9Å; C608-Q644 HydrophobicContact CB-CG 4.19Å; Y609-Q644 HydrophobicContact CD1-CB 4.35Å; Y609-Q644 HydrophobicContact CD1-CG 4.05Å; Y609-Q644 HydrophobicContact CD2-CB 3.97Å; Y609-Q644 HydrophobicContact CD2-CG 4.29Å; Y609-Q644 HydrophobicContact CE1-CB 4.11Å; Y609-Q644 HydrophobicContact CE1-CG 4.17Å; Y609-Q644 HydrophobicContact CE2-CB 3.68Å; Y609-Q644 HydrophobicContact CE2-CG 4.38Å; Y609-Q644 WeakPolarHBondContact CE2-O 3.26Å; Y609-Q644 HydrophobicContact CG-CB 4.29Å; Y609-Q644 HydrophobicContact CG-CG 4.11Å; Y609-Q644 PolarHBondContact OH-N 2.86Å; Y609-Q644 VanDerWaalsContact OH-N 3.14Å; Y609-Q644 PolarHBondContact OH-O 3.42Å; N613-Q644 PolarHBondContact OD1-NE2 3.02Å; N619-Q644 PolarHBondContact O-NE2 2.86Å; N619-Q644 VanDerWaalsContact O-NE2 3.14Å; T642-Q644 PolarHBondContact O-N 2.82Å
645C93.2Very high86.7Confident1 Ų159 Ų591%0.00730%0.302CS..EExtended strand (participates in β ladder)trans-122.4162.3-175-57.70000112.2C593 S602 K676C593-C645 WeakPolarHBondContact CA-SG 3.38Å; C593-C645 HydrophobicContact CB-CB 3.72Å; C593-C645 WeakPolarHBondContact CB-SG 3.42Å; C593-C645 VanDerWaalsContact SG-CA 3.5Å; C593-C645 WeakPolarHBondContact SG-CB 3.48Å; C593-C645 CovalentContact SG-SG 2.04Å; C593-C645 PolarHBondContact SG-SG 2.76Å; S602-C645 CarbonylContact O-C 3.48Å; S602-C645 VanDerWaalsContact O-CA 3.24Å; S602-C645 WeakPolarHBondContact O-CA 3.15Å; C645-K676 HydrophobicContact CB-CB 4.35Å; C645-K676 PolarHBondContact N-O 3.06Å; C645-K676 WeakPolarHBondContact O-CB 3.26Å; C645-K676 PolarHBondContact O-N 2.88Å
646K92.8Very high85Confident46 Ų4656.3 Ų56.320%0.229%0.293CS..EExtended strand (participates in β ladder)trans-141.5166.617063.1178.3173.9-172.50109.5S602 A603 D605 E674S602-K646 PolarHBondContact N-O 3.39Å; S602-K646 PolarHBondContact O-N 3.33Å; S602-K646 VanDerWaalsContact O-O 3.12Å; S602-K646 WeakPolarHBondContact OG-CG 3.26Å; A603-K646 VanDerWaalsContact O-CE 3.25Å; A603-K646 WeakPolarHBondContact O-CE 3.36Å; D605-K646 IonicContact OD1-NZ 2.74Å; D605-K646 PolarHBondContact OD1-NZ 3.35Å; D605-K646 VanDerWaalsContact OD1-NZ 3.12Å; D605-K646 IonicContact OD2-NZ 3.12Å; D605-K646 PolarHBondContact OD2-NZ 3.01Å; K646-E674 WeakPolarHBondContact CA-OE2 3.17Å; K646-E674 HydrophobicContact CB-CB 4.12Å; K646-E674 HydrophobicContact CB-CG 4.46Å
647D90.5Very high83.5Confident88 Ų8848.7 Ų48.747%0.47126%0.258SS..EExtended strand (participates in β ladder)trans57.7-176-178-55.1-60.2000112.3G600 E674 K676G600-D647 VanDerWaalsContact O-CB 3.28Å; G600-D647 WeakPolarHBondContact O-CB 3.47Å; D647-E674 PolarHBondContact N-OE2 3Å; D647-K676 WeakPolarHBondContact O-CE 3.33Å; D647-K676 PolarHBondContact O-NZ 3.31Å
648G85.4Confident81.8Confident31 Ų3151.2 Ų51.232%0.3227%0.271SS..SBendtrans68.1-168-16800000113.4G600 K676G600-G648 PolarHBondContact O-N 3.18Å; G648-K676 PolarHBondContact O-NZ 3.36Å
649E84.6Confident80.1Confident116 Ų11659.8 Ų59.854%0.54231%0.311SS..  trans-65.2161.3-169.2-86.1-59.416200115.5W597 Q651 V653 K676W597-E649 WeakPolarHBondContact O-CB 3.21Å; W597-E649 PolarHBondContact O-N 3Å; E649-Q651 VanDerWaalsContact C-N 3.27Å; E649-Q651 PolarHBondContact O-N 3.17Å; E649-V653 HydrophobicContact CB-CG2 4.36Å; E649-K676 PolarHBondContact O-NZ 3.31Å
650R81.5Confident78.8Confident192 Ų19261.8 Ų61.873%0.72532%0.323SS*.SBendtrans-73.8-19.6-177.1-69179.3177.1-96.6-5113.9
651Q77Confident78Confident107 Ų10765.8 Ų65.850%0.534%0.338SS..SBendtrans-134.4159.6179.3-64.9-177.9-2600107.8E649 Y661E649-Q651 VanDerWaalsContact C-N 3.27Å; E649-Q651 PolarHBondContact O-N 3.17Å; Q651-Y661 HydrophobicContact CG-CE1 4.37Å; Q651-Y661 HydrophobicContact CG-CE2 4.4Å; Q651-Y661 PolarHBondContact NE2-OH 2.93Å; Q651-Y661 VanDerWaalsContact NE2-OH 3.1Å
652P79Confident77.5Confident11 Ų1166.7 Ų66.77%0.07134%0.344CS..  trans-57.6151169.9-22.134.4000111.3I596 W597 I657 Y661I596-P652 HydrophobicContact CG2-CB 4.34Å; I596-P652 CarbonylContact O-C 3.5Å; I596-P652 WeakPolarHBondContact O-CA 3.42Å; W597-P652 HydrophobicContact CH2-CG 4.29Å; W597-P652 HydrophobicContact CZ3-CG 4.2Å; P652-I657 HydrophobicContact CB-CB 3.93Å; P652-I657 HydrophobicContact CB-CG2 3.91Å; P652-I657 HydrophobicContact CG-CB 4.15Å; P652-I657 HydrophobicContact CG-CG2 3.71Å; P652-Y661 HydrophobicContact CG-CD1 4.43Å; P652-Y661 HydrophobicContact CG-CG 4.36Å
653V79Confident77.2Confident85 Ų8572.2 Ų72.252%0.51537%0.365SS..SBendtrans-92.2-14.6-179.4177.90000112.5I596 E649I596-V653 PolarHBondContact O-N 2.87Å; E649-V653 HydrophobicContact CB-CG2 4.36Å
654N68.9Low76.8Confident60 Ų6074.2 Ų74.232%0.32138%0.378SS..SBendtrans-97.3120.8-175.1-50.9-12.1000109.9A595 G656 I657A595-N654 PolarHBondContact O-ND2 2.97Å; N654-G656 PolarHBondContact O-N 2.94Å; N654-I657 HydrophobicContact CB-CD1 3.89Å; N654-I657 HydrophobicContact CB-CG1 4.41Å; N654-I657 PolarHBondContact O-N 3.28Å
655D61.1Low76.5Confident158 Ų15878.4 Ų78.485%0.84540%0.399SS*.THydrogen-bonded Turntrans-50.7133.4-179.8-69.7-51.7000112.1
656G56.8Low76.2Confident48 Ų4879.5 Ų79.550%0.49541%0.405SS..THydrogen-bonded Turntrans95.5-7.6175.800000115.4N654 D658N654-G656 PolarHBondContact O-N 2.94Å; G656-D658 VanDerWaalsContact C-N 3.27Å; G656-D658 PolarHBondContact N-OD2 3.34Å
657I60Low76Confident4 Ų481.1 Ų81.12%0.02142%0.422CS..  trans-81.9-10.5170.2-53.2-174000111.3P652 N654 Q659 L660 T678 V682 H690P652-I657 HydrophobicContact CB-CB 3.93Å; P652-I657 HydrophobicContact CB-CG2 3.91Å; P652-I657 HydrophobicContact CG-CB 4.15Å; P652-I657 HydrophobicContact CG-CG2 3.71Å; N654-I657 HydrophobicContact CB-CD1 3.89Å; N654-I657 HydrophobicContact CB-CG1 4.41Å; N654-I657 PolarHBondContact O-N 3.28Å; I657-Q659 VanDerWaalsContact C-N 3.26Å; I657-Q659 PolarHBondContact O-N 3.49Å; I657-L660 PolarHBondContact O-N 3.21Å; I657-T678 HydrophobicContact CG2-CG2 4.02Å; I657-T678 WeakPolarHBondContact CG2-OG1 3.41Å; I657-V682 HydrophobicContact CG1-CG2 3.89Å; I657-H690 HydrophobicContact CD1-CB 4.11Å
658D56.9Low75.8Confident75 Ų7579.2 Ų79.240%0.40141%0.411SS..THydrogen-bonded Turntrans-58.5-21.5-162.8-51.6-69.5000117G656 Y661G656-D658 VanDerWaalsContact C-N 3.27Å; G656-D658 PolarHBondContact N-OD2 3.34Å; D658-Y661 WeakPolarHBondContact O-CD1 3.48Å; D658-Y661 WeakPolarHBondContact O-CE1 3.25Å
659Q58.2Low75.7Confident185 Ų18588.1 Ų88.186%0.86444%0.441SS*.THydrogen-bonded Turntrans-92.9-14.8-169.3-57.6-169.63000114.3I657I657-Q659 VanDerWaalsContact C-N 3.26Å; I657-Q659 PolarHBondContact O-N 3.49Å
660L67.4Low75.7Confident82 Ų8285.9 Ų85.943%0.42945%0.449SS..SBendtrans-138.532.1-164.9-81.8171.4000114.6I618 I657 S679I618-L660 HydrophobicContact CD1-CD2 4.29Å; I657-L660 PolarHBondContact O-N 3.21Å; L660-S679 PolarHBondContact O-N 3.22Å; L660-S679 PolarHBondContact O-OG 2.98Å
661Y77.2Confident76Confident83 Ų8382.4 Ų82.433%0.32544%0.441SS..EExtended strand (participates in β ladder)trans-92.4154.3172.972.9-87000113.3W597 Q651 P652 D658W597-Y661 HydrophobicContact CH2-CD2 4.2Å; W597-Y661 HydrophobicContact CH2-CG 4.43Å; W597-Y661 HydrophobicContact CZ3-CD2 4.46Å; Q651-Y661 HydrophobicContact CG-CE1 4.37Å; Q651-Y661 HydrophobicContact CG-CE2 4.4Å; Q651-Y661 PolarHBondContact NE2-OH 2.93Å; Q651-Y661 VanDerWaalsContact NE2-OH 3.1Å; P652-Y661 HydrophobicContact CG-CD1 4.43Å; P652-Y661 HydrophobicContact CG-CG 4.36Å; D658-Y661 WeakPolarHBondContact O-CD1 3.48Å; D658-Y661 WeakPolarHBondContact O-CE1 3.25Å
662S80.7Confident76.5Confident19 Ų1984.2 Ų84.213%0.13345%0.45CS..EExtended strand (participates in β ladder)trans-130.1145.2176.374.20000111.1K676 A677S662-K676 WeakPolarHBondContact O-CA 3.37Å; S662-A677 PolarHBondContact N-O 3.4Å; S662-A677 PolarHBondContact O-N 2.74Å; S662-A677 PolarHBondContact OG-O 2.57Å
663R85.4Confident77.1Confident118 Ų11884 Ų8445%0.44545%0.448SS..EExtended strand (participates in β ladder)trans-140.8109.3174.7176.7175.3-178.5-83.5-6.1109.4E674 K676R663-E674 IonicContact CZ-OE1 2.7Å; R663-E674 IonicContact NE-OE1 3.28Å; R663-E674 PolarHBondContact NE-OE1 3.19Å; R663-E674 IonicContact NH2-OE1 2.72Å; R663-E674 PolarHBondContact NH2-OE1 3.21Å; R663-K676 HydrophobicContact CB-CG 4.49Å; R663-K676 HydrophobicContact CG-CG 4.13Å
664T84.3Confident77.6Confident48 Ų4881.8 Ų81.829%0.29443%0.432SS..EExtended strand (participates in β ladder)trans-117.2146.9-180-47.90000109.8F612 I666 C675F612-T664 HydrophobicContact CZ-CG2 3.96Å; T664-I666 HydrophobicContact CG2-CG2 4.01Å; T664-C675 PolarHBondContact N-O 3.35Å; T664-C675 PolarHBondContact O-N 3.14Å
665I87.9Confident78.7Confident89 Ų8979 Ų7946%0.45642%0.417SS..EExtended strand (participates in β ladder)trans-111.9123.6165.4-59.8175.3000106.8E672 F673I665-E672 HydrophobicContact CG2-CB 3.99Å; I665-E672 HydrophobicContact CG2-CG 4.43Å; I665-F673 WeakPolarHBondContact CA-O 3.49Å
666I86.8Confident80Confident25 Ų2571.6 Ų71.613%0.12838%0.377CS..EExtended strand (participates in β ladder)trans-109.5137.7178.963177.2000109.6Q611 F612 T664 I668 E672 F673 C675Q611-I666 HydrophobicContact CB-CD1 4.13Å; Q611-I666 HydrophobicContact CG-CD1 4Å; F612-I666 HydrophobicContact CE2-CD1 4.49Å; F612-I666 HydrophobicContact CE2-CG2 3.92Å; F612-I666 HydrophobicContact CZ-CG2 3.99Å; T664-I666 HydrophobicContact CG2-CG2 4.01Å; I666-I668 HydrophobicContact CD1-CD1 4.12Å; I666-E672 CarbonylContact O-C 3.6Å; I666-E672 WeakPolarHBondContact O-CA 3.43Å; I666-F673 HydrophobicContact CD1-CB 4.44Å; I666-F673 HydrophobicContact CG1-CB 3.87Å; I666-F673 HydrophobicContact CG1-CD2 4.48Å; I666-F673 PolarHBondContact N-O 3.33Å; I666-F673 PolarHBondContact O-N 3.19Å; I666-C675 VanDerWaalsContact CD1-SG 3.54Å
667S88.2Confident81.5Confident79 Ų7969.4 Ų69.455%0.55236%0.355SS*.EExtended strand (participates in β ladder)trans-106.9118.4174.2-168.30000110.1Q671S667-Q671 CarbonylContact C-O 3.59Å; S667-Q671 WeakPolarHBondContact CA-O 3Å
668I85.3Confident82.5Confident49 Ų4969.6 Ų69.625%0.25136%0.356SS..EExtended strand (participates in β ladder)trans-123.8122.8177.6-59.4-177.6000108.1Q607 Q611 I666 G670 Q671 F673Q607-I668 HydrophobicContact CB-CD1 4.03Å; Q607-I668 HydrophobicContact CG-CD1 4.13Å; Q611-I668 HydrophobicContact CG-CD1 3.96Å; I666-I668 HydrophobicContact CD1-CD1 4.12Å; I668-G670 PolarHBondContact O-N 2.97Å; I668-G670 VanDerWaalsContact O-N 3.08Å; I668-Q671 PolarHBondContact N-O 3.32Å; I668-Q671 PolarHBondContact O-N 2.87Å; I668-F673 HydrophobicContact CB-CD2 4.46Å; I668-F673 HydrophobicContact CB-CE2 4.06Å
669K84.5Confident83Confident217 Ų21766.8 Ų66.894%0.94334%0.342SS*.THydrogen-bonded Turntrans54.823.7-178.1-59.9171.4-177.9172.40114.1
670G83.4Confident82.9Confident70 Ų7058.3 Ų58.372%0.72230%0.304SS*.THydrogen-bonded Turntrans88.2-0.3-178.200000115.2I668I668-G670 PolarHBondContact O-N 2.97Å; I668-G670 VanDerWaalsContact O-N 3.08Å
671Q88.1Confident82.2Confident118 Ų11860.2 Ų60.255%0.55131%0.311SS*.EExtended strand (participates in β ladder)trans-95132168.3-176.2173.50.900109.5S667 I668 F673S667-Q671 CarbonylContact C-O 3.59Å; S667-Q671 WeakPolarHBondContact CA-O 3Å; I668-Q671 PolarHBondContact N-O 3.32Å; I668-Q671 PolarHBondContact O-N 2.87Å; Q671-F673 HydrophobicContact CB-CE2 3.8Å; Q671-F673 HydrophobicContact CB-CZ 3.96Å; Q671-F673 HydrophobicContact CG-CD2 4.44Å; Q671-F673 HydrophobicContact CG-CE1 4.11Å; Q671-F673 HydrophobicContact CG-CE2 3.76Å; Q671-F673 HydrophobicContact CG-CZ 3.58Å; Q671-F673 WeakPolarHBondContact O-CD2 2.99Å; Q671-F673 WeakPolarHBondContact O-CE2 3.49Å
672E88.2Confident80.7Confident146 Ų14659.1 Ų59.168%0.68231%0.312SS*.EExtended strand (participates in β ladder)trans-88.6137.9173.6-63.1-172.6158.700110.5I665 I666I665-E672 HydrophobicContact CG2-CB 3.99Å; I665-E672 HydrophobicContact CG2-CG 4.43Å; I666-E672 CarbonylContact O-C 3.6Å; I666-E672 WeakPolarHBondContact O-CA 3.43Å
673F90.5Very high78.7Confident7 Ų761.4 Ų61.43%0.03134%0.339CS..EExtended strand (participates in β ladder)trans-126.7130.8176.6-57.5-90.8000108.9D605 Q607 I665 I666 I668 Q671D605-F673 HydrophobicContact CB-CD1 3.62Å; D605-F673 HydrophobicContact CB-CE1 3.95Å; Q607-F673 HydrophobicContact CB-CD1 4.45Å; Q607-F673 HydrophobicContact CB-CD2 4.43Å; Q607-F673 HydrophobicContact CB-CG 4.38Å; Q607-F673 HydrophobicContact CG-CD2 4.47Å; Q607-F673 HydrophobicContact CG-CE1 4.16Å; Q607-F673 HydrophobicContact CG-CE2 4.11Å; Q607-F673 HydrophobicContact CG-CZ 3.93Å; I665-F673 WeakPolarHBondContact CA-O 3.49Å; I666-F673 HydrophobicContact CD1-CB 4.44Å; I666-F673 HydrophobicContact CG1-CB 3.87Å; I666-F673 HydrophobicContact CG1-CD2 4.48Å; I666-F673 PolarHBondContact N-O 3.33Å; I666-F673 PolarHBondContact O-N 3.19Å; I668-F673 HydrophobicContact CB-CD2 4.46Å; I668-F673 HydrophobicContact CB-CE2 4.06Å; Q671-F673 HydrophobicContact CB-CE2 3.8Å; Q671-F673 HydrophobicContact CB-CZ 3.96Å; Q671-F673 HydrophobicContact CG-CD2 4.44Å; Q671-F673 HydrophobicContact CG-CE1 4.11Å; Q671-F673 HydrophobicContact CG-CE2 3.76Å; Q671-F673 HydrophobicContact CG-CZ 3.58Å; Q671-F673 WeakPolarHBondContact O-CD2 2.99Å; Q671-F673 WeakPolarHBondContact O-CE2 3.49Å
674E90Very high76.3Confident37 Ų3760.4 Ų60.417%0.17335%0.35CS..EExtended strand (participates in β ladder)trans-84.1129.9170.8-175.7-178.3-127.200109.7C608 K646 D647 R663 K676C608-E674 PolarHBondContact SG-O 3.25Å; C608-E674 VanDerWaalsContact SG-O 3.35Å; K646-E674 WeakPolarHBondContact CA-OE2 3.17Å; K646-E674 HydrophobicContact CB-CB 4.12Å; K646-E674 HydrophobicContact CB-CG 4.46Å; D647-E674 PolarHBondContact N-OE2 3Å; R663-E674 IonicContact CZ-OE1 2.7Å; R663-E674 IonicContact NE-OE1 3.28Å; R663-E674 PolarHBondContact NE-OE1 3.19Å; R663-E674 IonicContact NH2-OE1 2.72Å; R663-E674 PolarHBondContact NH2-OE1 3.21Å; E674-K676 VanDerWaalsContact CD-CE 3.43Å; E674-K676 HydrophobicContact CG-CG 4.1Å; E674-K676 VanDerWaalsContact OE1-CE 3.29Å; E674-K676 WeakPolarHBondContact OE1-CE 3.3Å; E674-K676 VanDerWaalsContact OE2-CE 3.3Å; E674-K676 WeakPolarHBondContact OE2-CE 3Å
675C91.3Very high74Confident1 Ų164.6 Ų64.61%0.00737%0.371CS..EExtended strand (participates in β ladder)trans-125.8103.7174.4-43.70000108.6C608 F612 T664 I666C608-C675 HydrophobicContact CB-CB 3.7Å; C608-C675 WeakPolarHBondContact CB-SG 3.39Å; C608-C675 VanDerWaalsContact SG-CA 3.57Å; C608-C675 WeakPolarHBondContact SG-CB 3.22Å; C608-C675 CovalentContact SG-SG 2.03Å; C608-C675 PolarHBondContact SG-SG 2.99Å; F612-C675 HydrophobicContact CD2-CB 4.14Å; F612-C675 HydrophobicContact CE2-CB 3.75Å; T664-C675 PolarHBondContact N-O 3.35Å; T664-C675 PolarHBondContact O-N 3.14Å; I666-C675 VanDerWaalsContact CD1-SG 3.54Å
676K88.7Confident71.8Confident4 Ų462.9 Ų62.92%0.01737%0.367CS..EExtended strand (participates in β ladder)trans-99.8135.3169.5-52.5-178.1-1771800109.1W597 C645 D647 G648 E649 S662 R663 E674W597-K676 HydrophobicContact CD2-CB 4.37Å; W597-K676 HydrophobicContact CD2-CD 3.84Å; W597-K676 HydrophobicContact CE3-CD 3.86Å; W597-K676 HydrophobicContact CG-CD 4.37Å; W597-K676 HydrophobicContact CH2-CB 3.95Å; W597-K676 HydrophobicContact CH2-CD 4.36Å; W597-K676 HydrophobicContact CZ2-CB 3.55Å; W597-K676 HydrophobicContact CZ2-CD 4.39Å; W597-K676 HydrophobicContact CZ3-CD 4.1Å; C645-K676 HydrophobicContact CB-CB 4.35Å; C645-K676 PolarHBondContact N-O 3.06Å; C645-K676 WeakPolarHBondContact O-CB 3.26Å; C645-K676 PolarHBondContact O-N 2.88Å; D647-K676 WeakPolarHBondContact O-CE 3.33Å; D647-K676 PolarHBondContact O-NZ 3.31Å; G648-K676 PolarHBondContact O-NZ 3.36Å; E649-K676 PolarHBondContact O-NZ 3.31Å; S662-K676 WeakPolarHBondContact O-CA 3.37Å; R663-K676 HydrophobicContact CB-CG 4.49Å; R663-K676 HydrophobicContact CG-CG 4.13Å; E674-K676 VanDerWaalsContact CD-CE 3.43Å; E674-K676 HydrophobicContact CG-CG 4.1Å; E674-K676 VanDerWaalsContact OE1-CE 3.29Å; E674-K676 WeakPolarHBondContact OE1-CE 3.3Å; E674-K676 VanDerWaalsContact OE2-CE 3.3Å; E674-K676 WeakPolarHBondContact OE2-CE 3Å
677A88.2Confident69.7Low2 Ų269.4 Ų69.42%0.01739%0.391CS..EExtended strand (participates in β ladder)trans-147.5155.8174.400000109.9T642 S662T642-A677 HydrophobicContact CG2-CB 4.06Å; S662-A677 PolarHBondContact N-O 3.4Å; S662-A677 PolarHBondContact O-N 2.74Å; S662-A677 PolarHBondContact OG-O 2.57Å
678T80.9Confident67.7Low7 Ų769.1 Ų69.14%0.04339%0.387CS..EExtended strand (participates in β ladder)trans-121.1146.6173.2-1720000111.6I596 I657 H690 G691I596-T678 HydrophobicContact CG2-CG2 4.31Å; I657-T678 HydrophobicContact CG2-CG2 4.02Å; I657-T678 WeakPolarHBondContact CG2-OG1 3.41Å; T678-H690 WeakPolarHBondContact CG2-O 3.41Å; T678-G691 WeakPolarHBondContact O-CA 3.33Å
679S67.9Low66.4Low17 Ų1771.1 Ų71.112%0.11940%0.396CS..  trans-122.828.1-179.2610000111.8I618 L660 Q681I618-S679 WeakPolarHBondContact O-CB 3.42Å; L660-S679 PolarHBondContact O-N 3.22Å; L660-S679 PolarHBondContact O-OG 2.98Å; S679-Q681 PolarHBondContact O-N 2.69Å
680G55.5Low65.2Low6 Ų662.3 Ų62.36%0.06236%0.358CS..  trans-78.3107.2-178.700000113.5V682G680-V682 PolarHBondContact O-N 3.44Å
681Q52.5Low64.9Low123 Ų12359.3 Ų59.358%0.57533%0.327SS*.  trans-7394.3151.3-72-178.4-79.500108.1R624 S679 G683R624-Q681 VanDerWaalsContact NH1-CD 3.3Å; S679-Q681 PolarHBondContact O-N 2.69Å; Q681-G683 PolarHBondContact O-N 3.42Å
682V46.9Very low64.9Low59 Ų5954.7 Ų54.736%0.35831%0.306SS..  trans-70.3121.7172.1-176.50000108I657 G680I657-V682 HydrophobicContact CG1-CG2 3.89Å; G680-V682 PolarHBondContact O-N 3.44Å
683G38.6Very low65.1Low67 Ų6747.9 Ų47.969%0.69127%0.274SS*.SBendtrans-69.1146.7179.700000112.3Q681Q681-G683 PolarHBondContact O-N 3.42Å
684S35.1Very low65.1Low98 Ų9852.4 Ų52.469%0.68529%0.294SS*.SBendtrans77.376.8175-165.60000117.5S686S684-S686 PolarHBondContact O-N 3.01Å
685N34.9Very low65.1Low135 Ų13553.8 Ų53.872%0.72230%0.302SS*.SBendtrans61.1-4.4130.7-73.524.7000123.1L1440N685-L1440 HydrophobicContact CB-CD1 3.86Å
686S42.6Very low65.1Low54 Ų5453.8 Ų53.838%0.37830%0.302SS..SBendtrans-128.28.3179.355.70000117.2S684 Q1436S684-S686 PolarHBondContact O-N 3.01Å; S686-Q1436 VanDerWaalsContact CB-OE1 3.26Å; S686-Q1436 PolarHBondContact OG-OE1 3.26Å; S686-Q1436 VanDerWaalsContact OG-OE1 3.08Å
687Y42.5Very low65.2Low161 Ų16153.6 Ų53.663%0.63130%0.302SS*.SBendtrans-133.9134.9175.8-68.6-85.5000111.9H690Y687-H690 AromaticContact CD1-NE2 3.84Å
688P47Very low65.4Low73 Ų7355 Ų5547%0.47431%0.31SS..  trans-67.5158.5178.829.5-35.2000111.4H690P688-H690 PolarHBondContact O-CD2 2.86Å; P688-H690 PolarHBondContact O-N 3.42Å
689E56.6Low65.9Low92 Ų9255.1 Ų55.143%0.4331%0.312SS..  trans-62.592.2-174.4-170172.2-137.600112.1G691 L692E689-G691 PolarHBondContact O-N 3.31Å; E689-L692 PolarHBondContact O-N 3.48Å; E689-L692 WeakPolarHBondContact OE2-CD1 3.31Å
690H60.7Low66.9Low32 Ų3255.9 Ų55.915%0.14832%0.322CS..THydrogen-bonded Turntrans-65.99.4-167.7-83.3-80.6000115.6I596 I657 T678 Y687 P688I596-H690 VanDerWaalsContact CD1-O 3.23Å; I596-H690 WeakPolarHBondContact CD1-O 3.19Å; I657-H690 HydrophobicContact CD1-CB 4.11Å; T678-H690 WeakPolarHBondContact CG2-O 3.41Å; Y687-H690 AromaticContact CD1-NE2 3.84Å; P688-H690 PolarHBondContact O-CD2 2.86Å; P688-H690 PolarHBondContact O-N 3.42Å
691G76.4Confident68.4Low7 Ų763 Ų637%0.07236%0.358CS..THydrogen-bonded Turntrans-97.9-21.2172.600000115.1T642 L643 T678 E689T642-G691 CarbonylContact C-O 3.58Å; T642-G691 VanDerWaalsContact CA-O 3.26Å; T642-G691 WeakPolarHBondContact CA-O 3.49Å; T642-G691 VanDerWaalsContact CG2-O 3.26Å; T642-G691 WeakPolarHBondContact CG2-O 3.15Å; L643-G691 PolarHBondContact N-O 2.74Å; T678-G691 WeakPolarHBondContact O-CA 3.33Å; E689-G691 PolarHBondContact O-N 3.31Å
692L88.3Confident69.9Low20 Ų2060.5 Ų60.511%0.10535%0.349CS..BIsolated β-bridgetrans-99.8153.7-176.2-64.7177.4000112.3E689 K694 Q708E689-L692 PolarHBondContact O-N 3.48Å; E689-L692 WeakPolarHBondContact OE2-CD1 3.31Å; L692-K694 PolarHBondContact O-N 2.79Å; L692-Q708 HydrophobicContact CD1-CG 4.21Å
693V91.9Very high72Confident3 Ų360.7 Ų60.72%0.01835%0.348CS..PPolyproline II helixtrans-67.7128.6169.9173.50000109.4L589 Y609 G641 L643 T697 C705L589-V693 HydrophobicContact CD2-CB 4.46Å; L589-V693 HydrophobicContact CD2-CG1 3.81Å; L589-V693 HydrophobicContact CD2-CG2 3.74Å; Y609-V693 HydrophobicContact CE1-CG2 4.25Å; G641-V693 WeakPolarHBondContact O-CG2 3.36Å; G641-V693 PolarHBondContact O-N 3.44Å; L643-V693 HydrophobicContact CB-CG2 4.03Å; L643-V693 HydrophobicContact CD1-CG2 3.8Å; V693-T697 HydrophobicContact CG1-CG2 3.89Å; V693-C705 HydrophobicContact CG1-CB 4.34Å
694K90.2Very high74.6Confident103 Ų10357.5 Ų57.545%0.44832%0.315SS..PPolyproline II helixtrans-66.6146.6-179.8-69-172175.8-171.40112.2P587 Q592 L692 T697P587-K694 HydrophobicContact CB-CB 4.47Å; Q592-K694 HydrophobicContact CG-CD 4.42Å; Q592-K694 HydrophobicContact CG-CG 4.47Å; L692-K694 PolarHBondContact O-N 2.79Å; K694-T697 VanDerWaalsContact O-CB 3.25Å; K694-T697 WeakPolarHBondContact O-CB 3.34Å; K694-T697 PolarHBondContact O-N 3.39Å; K694-T697 PolarHBondContact O-OG1 2.04Å
695D91Very high77.4Confident66 Ų6652.9 Ų52.935%0.35328%0.283SS..THydrogen-bonded Turntrans-59.1147.2170.3-82.418.5000111.6T697 C705 L706 N707D695-T697 VanDerWaalsContact C-N 3.28Å; D695-T697 PolarHBondContact O-N 3.41Å; D695-C705 CarbonylContact C-O 3.33Å; D695-C705 WeakPolarHBondContact CA-O 3.34Å; D695-L706 HydrophobicContact CB-CD2 3.88Å; D695-N707 VanDerWaalsContact CG-N 3.27Å; D695-N707 PolarHBondContact OD1-N 3.32Å; D695-N707 PolarHBondContact OD2-N 3.41Å
696G90Very high80.1Confident0 Ų047.6 Ų47.60%025%0.254CS..THydrogen-bonded Turntrans82.7-15.3-169.500000115.2P587 I704 C705P587-G696 VanDerWaalsContact CG-C 3.43Å; G696-I704 WeakPolarHBondContact O-CG2 3.38Å; G696-C705 PolarHBondContact N-O 3.38Å
697T91.8Very high82.3Confident1 Ų150.8 Ų50.81%0.00627%0.267CS..  trans-63.2132.5-178.2-54.30000111.8L589 Q592 V693 K694 D695 C699 I704 C705L589-T697 HydrophobicContact CD2-CG2 3.68Å; L589-T697 HydrophobicContact CG-CG2 3.66Å; Q592-T697 PolarHBondContact NE2-OG1 2.89Å; V693-T697 HydrophobicContact CG1-CG2 3.89Å; K694-T697 VanDerWaalsContact O-CB 3.25Å; K694-T697 WeakPolarHBondContact O-CB 3.34Å; K694-T697 PolarHBondContact O-N 3.39Å; K694-T697 PolarHBondContact O-OG1 2.04Å; D695-T697 VanDerWaalsContact C-N 3.28Å; D695-T697 PolarHBondContact O-N 3.41Å; T697-C699 PolarHBondContact O-N 3.13Å; T697-I704 CarbonylContact O-C 3.52Å; T697-I704 WeakPolarHBondContact O-CA 3.44Å; T697-C705 PolarHBondContact O-N 3.38Å
698P92Very high84.6Confident30 Ų3045 Ų4520%0.19525%0.246CC..EExtended strand (participates in β ladder)trans-62.1129.9176.5-23.433.1000113.6Y580 P587 L703Y580-P698 HydrophobicContact CD2-CG 4.1Å; P587-P698 VanDerWaalsContact O-CD 3.3Å; P587-P698 WeakPolarHBondContact O-CD 3.25Å; P698-L703 WeakPolarHBondContact CA-O 3.41Å
699C92.3Very high86.7Confident11 Ų1144.1 Ų44.17%0.07424%0.239CC..EExtended strand (participates in β ladder)trans-117.42.1174.4590000113.2Q639 T697 L703 C710Q639-C699 HydrophobicContact CB-CB 4.22Å; Q639-C699 PolarHBondContact OE1-O 2.73Å; T697-C699 PolarHBondContact O-N 3.13Å; C699-L703 PolarHBondContact N-O 2.96Å; C699-C710 HydrophobicContact CB-CB 3.94Å; C699-C710 WeakPolarHBondContact CB-SG 3.35Å; C699-C710 WeakPolarHBondContact SG-CA 3.34Å; C699-C710 WeakPolarHBondContact SG-CB 3.38Å; C699-C710 CovalentContact SG-SG 2.04Å; C699-C710 PolarHBondContact SG-SG 3.18Å
700G88.2Confident88.6Confident33 Ų3341 Ų4134%0.3423%0.227SC..EExtended strand (participates in β ladder)trans170.2-176.9176.300000112.2N702 L703G700-N702 PolarHBondContact O-N 2.81Å; G700-L703 PolarHBondContact N-O 3.28Å; G700-L703 PolarHBondContact O-N 3.2Å
701D86.4Confident90.1Very high154 Ų15441.5 Ų41.582%0.82423%0.232SC*.THydrogen-bonded Turntrans-65.2108.2-178-61.9-35.1000111.2L703D701-L703 PolarHBondContact O-N 2.03Å
702N85.2Confident90.8Very high72 Ų7243.2 Ų43.239%0.38524%0.243SC..THydrogen-bonded Turntrans61.425.6-170.8-42.5-82.3000114.3G700 S712 L713 F714G700-N702 PolarHBondContact O-N 2.81Å; N702-S712 PolarHBondContact O-OG 2.86Å; N702-L713 PolarHBondContact O-N 3.11Å; N702-F714 HydrophobicContact CB-CE2 4.06Å; N702-F714 HydrophobicContact CB-CZ 4.32Å
703L91.1Very high90.8Very high62 Ų6242.8 Ų42.833%0.32524%0.241SC..EExtended strand (participates in β ladder)trans-117.9136.5175.2-53.5178.5000111.1P698 C699 G700 D701 V711P698-L703 WeakPolarHBondContact CA-O 3.41Å; C699-L703 PolarHBondContact N-O 2.96Å; G700-L703 PolarHBondContact N-O 3.28Å; G700-L703 PolarHBondContact O-N 3.2Å; D701-L703 PolarHBondContact O-N 2.03Å; L703-V711 CarbonylContact C-O 3.59Å; L703-V711 VanDerWaalsContact CA-O 3.22Å; L703-V711 WeakPolarHBondContact CA-O 3.46Å
704I92.5Very high90.6Very high1 Ų148.9 Ų48.91%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-126.5151.1177.455.6166.5000111Y580 F582 G696 T697 L706 V711 L713Y580-I704 HydrophobicContact CD2-CG2 4.43Å; F582-I704 HydrophobicContact CD2-CD1 3.98Å; F582-I704 HydrophobicContact CE2-CD1 3.79Å; G696-I704 WeakPolarHBondContact O-CG2 3.38Å; T697-I704 CarbonylContact O-C 3.52Å; T697-I704 WeakPolarHBondContact O-CA 3.44Å; I704-L706 HydrophobicContact CD1-CD1 4Å; I704-L706 HydrophobicContact CD1-CD2 4.23Å; I704-L706 HydrophobicContact CD1-CG 4.01Å; I704-L706 HydrophobicContact CG1-CG 4.35Å; I704-V711 HydrophobicContact CG1-CG2 4.46Å; I704-V711 PolarHBondContact N-O 3.49Å; I704-V711 PolarHBondContact O-N 2.93Å; I704-V711 VanDerWaalsContact O-O 3.13Å; I704-L713 HydrophobicContact CD1-CD1 3.92Å; I704-L713 HydrophobicContact CG1-CB 4.47Å; I704-L713 HydrophobicContact CG1-CD1 4.49Å; I704-L713 HydrophobicContact CG2-CB 4.44Å; I704-L713 HydrophobicContact CG2-CD1 4.22Å
705C93.5Very high90.4Very high0 Ų048.6 Ų48.60%028%0.276CS..EExtended strand (participates in β ladder)trans-72.4129.4168.3-63.40000110.2C640 V693 D695 G696 T697 T709C640-C705 WeakPolarHBondContact CA-SG 3.38Å; C640-C705 HydrophobicContact CB-CB 3.64Å; C640-C705 WeakPolarHBondContact CB-SG 3.37Å; C640-C705 WeakPolarHBondContact SG-CA 3.32Å; C640-C705 WeakPolarHBondContact SG-CB 3.44Å; C640-C705 CovalentContact SG-SG 2.04Å; C640-C705 PolarHBondContact SG-SG 2.98Å; V693-C705 HydrophobicContact CG1-CB 4.34Å; D695-C705 CarbonylContact C-O 3.33Å; D695-C705 WeakPolarHBondContact CA-O 3.34Å; G696-C705 PolarHBondContact N-O 3.38Å; T697-C705 PolarHBondContact O-N 3.38Å; C705-T709 CarbonylContact C-O 3.56Å; C705-T709 VanDerWaalsContact CA-O 3.31Å; C705-T709 WeakPolarHBondContact CA-O 3.48Å
706L91.5Very high89.9Confident25 Ų2549 Ų4913%0.13128%0.276CS..EExtended strand (participates in β ladder)trans-138.8130.7164.9-66.1179.9000109.5F582 D695 I704 Q708 T709 V711 H716F582-L706 HydrophobicContact CE1-CD2 3.73Å; F582-L706 HydrophobicContact CE2-CD2 4.06Å; F582-L706 HydrophobicContact CZ-CD1 4.3Å; F582-L706 HydrophobicContact CZ-CD2 3.42Å; F582-L706 VanDerWaalsContact CZ-CD2 3.42Å; D695-L706 HydrophobicContact CB-CD2 3.88Å; I704-L706 HydrophobicContact CD1-CD1 4Å; I704-L706 HydrophobicContact CD1-CD2 4.23Å; I704-L706 HydrophobicContact CD1-CG 4.01Å; I704-L706 HydrophobicContact CG1-CG 4.35Å; L706-Q708 PolarHBondContact O-N 2.92Å; L706-T709 PolarHBondContact N-O 3.24Å; L706-T709 PolarHBondContact O-N 3.21Å; L706-T709 PolarHBondContact O-OG1 3Å; L706-V711 HydrophobicContact CB-CG2 3.91Å; L706-V711 HydrophobicContact CD1-CG2 3.82Å; L706-V711 HydrophobicContact CG-CG2 3.93Å; L706-H716 VanDerWaalsContact CD1-CE1 3.49Å; L706-H716 WeakPolarHBondContact CD1-CE1 3.35Å; L706-H716 WeakPolarHBondContact CD1-NE2 3.33Å
707N89.2Confident89.6Confident120 Ų12051.1 Ų51.164%0.64229%0.289SS*.THydrogen-bonded Turntrans45.847.4-176.2-164.247.7000112.8D695 T709D695-N707 VanDerWaalsContact CG-N 3.27Å; D695-N707 PolarHBondContact OD1-N 3.32Å; D695-N707 PolarHBondContact OD2-N 3.41Å; N707-T709 PolarHBondContact O-N 3.2Å; N707-T709 VanDerWaalsContact O-N 3.16Å
708Q90.3Very high88.7Confident40 Ų4054.5 Ų54.519%0.18731%0.307CS..THydrogen-bonded Turntrans5917.2-175.5-57.583.669.600116.2C622 C640 L692 L706C622-Q708 HydrophobicContact CB-CB 4.05Å; C640-Q708 WeakPolarHBondContact CB-O 3.06Å; C640-Q708 VanDerWaalsContact O-CA 3.31Å; C640-Q708 WeakPolarHBondContact O-CA 3.5Å; C640-Q708 VanDerWaalsContact O-CB 3.31Å; C640-Q708 WeakPolarHBondContact O-CB 3.35Å; C640-Q708 WeakPolarHBondContact O-CG 3.39Å; L692-Q708 HydrophobicContact CD1-CG 4.21Å; L706-Q708 PolarHBondContact O-N 2.92Å
709T92.8Very high87.9Confident55 Ų5561.1 Ų61.134%0.33734%0.335SS..EExtended strand (participates in β ladder)trans-113.3143.9172.763.80000111.8N637 C705 L706 N707N637-T709 WeakPolarHBondContact OD1-CA 3.47Å; C705-T709 CarbonylContact C-O 3.56Å; C705-T709 VanDerWaalsContact CA-O 3.31Å; C705-T709 WeakPolarHBondContact CA-O 3.48Å; L706-T709 PolarHBondContact N-O 3.24Å; L706-T709 PolarHBondContact O-N 3.21Å; L706-T709 PolarHBondContact O-OG1 3Å; N707-T709 PolarHBondContact O-N 3.2Å; N707-T709 VanDerWaalsContact O-N 3.16Å
710C94.6Very high87.4Confident25 Ų2564.3 Ų64.317%0.16935%0.354CS..EExtended strand (participates in β ladder)trans-89.3105.1178.1-175.40000109.6E636 N637 C699E636-C710 VanDerWaalsContact O-CB 3.31Å; E636-C710 WeakPolarHBondContact O-CB 3.39Å; N637-C710 PolarHBondContact OD1-N 2.58Å; C699-C710 HydrophobicContact CB-CB 3.94Å; C699-C710 WeakPolarHBondContact CB-SG 3.35Å; C699-C710 WeakPolarHBondContact SG-CA 3.34Å; C699-C710 WeakPolarHBondContact SG-CB 3.38Å; C699-C710 CovalentContact SG-SG 2.04Å; C699-C710 PolarHBondContact SG-SG 3.18Å
711V93.2Very high87Confident44 Ų4469.7 Ų69.727%0.26737%0.368SS..EExtended strand (participates in β ladder)trans-121.9164.4-173.2-61.90000111.2L703 I704 L706L703-V711 CarbonylContact C-O 3.59Å; L703-V711 VanDerWaalsContact CA-O 3.22Å; L703-V711 WeakPolarHBondContact CA-O 3.46Å; I704-V711 HydrophobicContact CG1-CG2 4.46Å; I704-V711 PolarHBondContact N-O 3.49Å; I704-V711 PolarHBondContact O-N 2.93Å; I704-V711 VanDerWaalsContact O-O 3.13Å; L706-V711 HydrophobicContact CB-CG2 3.91Å; L706-V711 HydrophobicContact CD1-CG2 3.82Å; L706-V711 HydrophobicContact CG-CG2 3.93Å
712S91.9Very high87.1Confident43 Ų4362.6 Ų62.630%0.30133%0.331SS..EExtended strand (participates in β ladder)trans-70.8144.8177.8-170.40000111.9N702 F714 P715 H716N702-S712 PolarHBondContact O-OG 2.86Å; S712-F714 VanDerWaalsContact OG-CD2 3.32Å; S712-F714 WeakPolarHBondContact OG-CD2 3.36Å; S712-P715 VanDerWaalsContact O-CD 3.23Å; S712-P715 WeakPolarHBondContact O-CD 3.4Å; S712-H716 PolarHBondContact O-CD2 3.24Å
713L88.1Confident87.3Confident11 Ų1161.6 Ų61.66%0.05833%0.328CS..SBendtrans-66.4-33.6174.2176.459.3000112.6Y580 N702 I704 P715 H716 V717Y580-L713 HydrophobicContact CD1-CD2 4.02Å; Y580-L713 HydrophobicContact CD2-CD2 3.93Å; Y580-L713 HydrophobicContact CE1-CD2 4.27Å; Y580-L713 HydrophobicContact CE2-CD2 4.2Å; Y580-L713 HydrophobicContact CG-CD2 3.84Å; N702-L713 PolarHBondContact O-N 3.11Å; I704-L713 HydrophobicContact CD1-CD1 3.92Å; I704-L713 HydrophobicContact CG1-CB 4.47Å; I704-L713 HydrophobicContact CG1-CD1 4.49Å; I704-L713 HydrophobicContact CG2-CB 4.44Å; I704-L713 HydrophobicContact CG2-CD1 4.22Å; L713-P715 VanDerWaalsContact C-CD 3.47Å; L713-H716 PolarHBondContact O-N 2.73Å; L713-V717 HydrophobicContact CD1-CG2 3.83Å; L713-V717 HydrophobicContact CD2-CG2 4.44Å; L713-V717 HydrophobicContact CG-CG2 3.72Å; L713-V717 PolarHBondContact O-N 2.71Å
714F86.9Confident87Confident131 Ų13160.7 Ų60.758%0.57533%0.33SS*.G310 helixtrans-55.4-36.8-169.3-67.1-64.5000116.9N702 S712 H716N702-F714 HydrophobicContact CB-CE2 4.06Å; N702-F714 HydrophobicContact CB-CZ 4.32Å; S712-F714 VanDerWaalsContact OG-CD2 3.32Å; S712-F714 WeakPolarHBondContact OG-CD2 3.36Å; F714-H716 PolarHBondContact O-N 3.02Å
715P85.6Confident86.5Confident97 Ų9762.2 Ų62.263%0.6334%0.338SS*.G310 helixtrans-72.2-13176.8-17.933.5000114.4S712 L713S712-P715 VanDerWaalsContact O-CD 3.23Å; S712-P715 WeakPolarHBondContact O-CD 3.4Å; L713-P715 VanDerWaalsContact C-CD 3.47Å
716H81.5Confident85.7Confident73 Ų7368.5 Ų68.534%0.33838%0.382SS..G310 helixtrans-111.2-1.8-174.4-53.8-77.4000113.2N566 F582 L706 S712 L713 F714N566-H716 WeakPolarHBondContact CB-O 3.47Å; N566-H716 PolarHBondContact ND2-O 2.78Å; F582-H716 HydrophobicContact CE2-CB 4.01Å; L706-H716 VanDerWaalsContact CD1-CE1 3.49Å; L706-H716 WeakPolarHBondContact CD1-CE1 3.35Å; L706-H716 WeakPolarHBondContact CD1-NE2 3.33Å; S712-H716 PolarHBondContact O-CD2 3.24Å; L713-H716 PolarHBondContact O-N 2.73Å; F714-H716 PolarHBondContact O-N 3.02Å
717V82.7Confident85.1Confident46 Ų4674.7 Ų74.728%0.27941%0.41SS..SBendtrans-89.4122.9165.7-179.90000107.7L713 Q719L713-V717 HydrophobicContact CD1-CG2 3.83Å; L713-V717 HydrophobicContact CD2-CG2 4.44Å; L713-V717 HydrophobicContact CG-CG2 3.72Å; L713-V717 PolarHBondContact O-N 2.71Å; V717-Q719 PolarHBondContact O-N 3.02Å
718D73Confident84.6Confident72 Ų7271.5 Ų71.539%0.38541%0.406SS..  trans-66.7128.5176.2-173.710.3000110.9T720 N741D718-T720 VanDerWaalsContact CG-OG1 3.29Å; D718-T720 PolarHBondContact OD1-N 3.45Å; D718-T720 PolarHBondContact OD1-OG1 2.98Å; D718-T720 VanDerWaalsContact OD1-OG1 3.09Å; D718-T720 PolarHBondContact OD2-OG1 2.95Å; D718-N741 PolarHBondContact OD2-ND2 3.21Å; D718-N741 PolarHBondContact OD2-OD1 2.73Å
719Q76.4Confident84.3Confident168 Ų16872 Ų7279%0.78541%0.409SS*.  trans-91.3-11.5-173.7-62.7-175.522.800113.3V717V717-Q719 PolarHBondContact O-N 3.02Å
720T80.2Confident84Confident78 Ų7872.4 Ų72.448%0.47941%0.407SS..SBendtrans-64.1139.8166.6430000109.5K565 D718 N741K565-T720 PolarHBondContact NZ-O 3.09Å; D718-T720 VanDerWaalsContact CG-OG1 3.29Å; D718-T720 PolarHBondContact OD1-N 3.45Å; D718-T720 PolarHBondContact OD1-OG1 2.98Å; D718-T720 VanDerWaalsContact OD1-OG1 3.09Å; D718-T720 PolarHBondContact OD2-OG1 2.95Å; T720-N741 WeakPolarHBondContact CB-OD1 3.42Å; T720-N741 PolarHBondContact O-OD1 3.11Å; T720-N741 VanDerWaalsContact O-OD1 3.04Å; T720-N741 PolarHBondContact OG1-ND2 3.47Å; T720-N741 PolarHBondContact OG1-OD1 3.4Å
721K81.5Confident83.7Confident147 Ų14771.3 Ų71.364%0.63940%0.4SS*.PPolyproline II helixtrans-91.8148.4-178.9-69.7-176.9157.4-78.50110.2E730K721-E730 WeakPolarHBondContact CA-OE2 3.39Å; K721-E730 HydrophobicContact CB-CG 4.34Å; K721-E730 WeakPolarHBondContact CG-OE1 3.47Å; K721-E730 IonicContact NZ-OE1 2.67Å; K721-E730 PolarHBondContact NZ-OE1 2.85Å
722C88.4Confident83.5Confident5 Ų569.5 Ų69.53%0.03439%0.39CS..PPolyproline II helixtrans-67161.5164.3-84.90000111.1A724 E730 C737 N741 R742C722-A724 PolarHBondContact O-N 2.93Å; C722-E730 HydrophobicContact CB-CB 4.32Å; C722-E730 PolarHBondContact N-OE2 3.49Å; C722-C737 HydrophobicContact CB-CB 3.8Å; C722-C737 WeakPolarHBondContact CB-SG 3.3Å; C722-C737 WeakPolarHBondContact SG-CA 3.5Å; C722-C737 WeakPolarHBondContact SG-CB 3.33Å; C722-C737 CovalentContact SG-SG 2.02Å; C722-C737 PolarHBondContact SG-SG 3.19Å; C722-N741 VanDerWaalsContact SG-C 3.55Å; C722-R742 PolarHBondContact SG-O 2.96Å
723P88.2Confident83.3Confident50 Ų5074.4 Ų74.433%0.32541%0.408SS..PPolyproline II helixtrans-51.2138.5169.2-26.836.1000111.2C731 N752 D753P723-C731 PolarHBondContact O-N 3.48Å; P723-N752 VanDerWaalsContact CB-O 3.31Å; P723-N752 WeakPolarHBondContact CB-O 3.34Å; P723-N752 WeakPolarHBondContact CG-O 2.89Å; P723-D753 HydrophobicContact CB-CB 3.82Å
724A85.2Confident83.4Confident44 Ų4477 Ų7736%0.36442%0.419SS..BIsolated β-bridgetrans-134.3146.3-173.900000110.1C722 L729 E730C722-A724 PolarHBondContact O-N 2.93Å; A724-L729 VanDerWaalsContact CA-O 3.24Å; A724-L729 WeakPolarHBondContact CA-O 3.43Å; A724-L729 WeakPolarHBondContact CB-O 3.37Å; A724-E730 HydrophobicContact CB-CG 4.37Å
725N81.7Confident83.5Confident33 Ų3371.5 Ų71.518%0.17640%0.4CS..  trans-70.3179.9176.965.325.4000112.2Q727 G728 L729 S732N725-Q727 PolarHBondContact O-N 3.22Å; N725-Q727 WeakPolarHBondContact OD1-CA 3.26Å; N725-Q727 WeakPolarHBondContact OD1-CB 3.42Å; N725-Q727 PolarHBondContact OD1-N 3.29Å; N725-G728 PolarHBondContact O-N 3.03Å; N725-G728 PolarHBondContact OD1-N 2.83Å; N725-L729 PolarHBondContact N-O 2.9Å; N725-L729 PolarHBondContact OD1-N 3.2Å; N725-S732 WeakPolarHBondContact CB-OG 3.34Å; N725-S732 PolarHBondContact ND2-OG 3.06Å
726S77.7Confident83.7Confident131 Ų13169 Ų6992%0.91638%0.383SS*.THydrogen-bonded Turntrans-59.6-8.7177.659.80000115.8
727Q77.3Confident84.1Confident155 Ų15566.5 Ų66.572%0.72437%0.373SS*.THydrogen-bonded Turntrans-98-5.5174.8-54.4-177.9-2.600112.8N725 L729N725-Q727 PolarHBondContact O-N 3.22Å; N725-Q727 WeakPolarHBondContact OD1-CA 3.26Å; N725-Q727 WeakPolarHBondContact OD1-CB 3.42Å; N725-Q727 PolarHBondContact OD1-N 3.29Å; Q727-L729 HydrophobicContact CB-CD1 4.33Å; Q727-L729 HydrophobicContact CB-CG 4.36Å
728G79.2Confident84.5Confident54 Ų5464.5 Ų64.556%0.55736%0.361SS*.  trans81.712.9-177.800000114.5N725N725-G728 PolarHBondContact O-N 3.03Å; N725-G728 PolarHBondContact OD1-N 2.83Å
729L83.9Confident85.2Confident50 Ų5063.1 Ų63.126%0.26235%0.354SS..  trans-81.7114.6175.2-63.3169.7000109.4A724 N725 Q727 C731 S732 E733A724-L729 VanDerWaalsContact CA-O 3.24Å; A724-L729 WeakPolarHBondContact CA-O 3.43Å; A724-L729 WeakPolarHBondContact CB-O 3.37Å; N725-L729 PolarHBondContact N-O 2.9Å; N725-L729 PolarHBondContact OD1-N 3.2Å; Q727-L729 HydrophobicContact CB-CD1 4.33Å; Q727-L729 HydrophobicContact CB-CG 4.36Å; L729-C731 PolarHBondContact O-N 3.13Å; L729-S732 PolarHBondContact O-N 3.32Å; L729-S732 VanDerWaalsContact O-N 3.13Å; L729-E733 HydrophobicContact CB-CG 4.3Å; L729-E733 HydrophobicContact CD1-CG 4.08Å; L729-E733 HydrophobicContact CD2-CG 4.16Å; L729-E733 HydrophobicContact CG-CG 4.4Å
730E86.2Confident85.7Confident63 Ų6358.8 Ų58.829%0.29434%0.339SS..BIsolated β-bridgetrans-62.2131.1176.1-68.6-176.9-126.800109.9K721 C722 A724 S732K721-E730 WeakPolarHBondContact CA-OE2 3.39Å; K721-E730 HydrophobicContact CB-CG 4.34Å; K721-E730 WeakPolarHBondContact CG-OE1 3.47Å; K721-E730 IonicContact NZ-OE1 2.67Å; K721-E730 PolarHBondContact NZ-OE1 2.85Å; C722-E730 HydrophobicContact CB-CB 4.32Å; C722-E730 PolarHBondContact N-OE2 3.49Å; A724-E730 HydrophobicContact CB-CG 4.37Å; E730-S732 PolarHBondContact O-N 3.08Å; E730-S732 VanDerWaalsContact O-N 3.1Å
731C90Very high86Confident2 Ų257 Ų571%0.01433%0.327CS..G310 helixtrans53.825.6-173.9-49.20000114.5P723 L729 E733 H734 G735 C743 D753P723-C731 PolarHBondContact O-N 3.48Å; L729-C731 PolarHBondContact O-N 3.13Å; C731-E733 PolarHBondContact O-N 2.93Å; C731-H734 CarbonylContact O-C 3.54Å; C731-H734 PolarHBondContact O-N 2.86Å; C731-G735 WeakPolarHBondContact CB-O 3.35Å; C731-G735 PolarHBondContact O-N 2.92Å; C731-C743 WeakPolarHBondContact CA-SG 3.38Å; C731-C743 HydrophobicContact CB-CB 3.66Å; C731-C743 WeakPolarHBondContact CB-SG 3.48Å; C731-C743 WeakPolarHBondContact SG-CA 3.48Å; C731-C743 WeakPolarHBondContact SG-CB 3.02Å; C731-C743 CovalentContact SG-SG 2.04Å; C731-C743 PolarHBondContact SG-SG 2.99Å; C731-D753 CarbonylContact C-O 3.56Å; C731-D753 WeakPolarHBondContact CA-O 3.28Å
732S88.6Confident86.3Confident7 Ų758.8 Ų58.85%0.04933%0.329CS..G310 helixtrans55.816.6176.4-59.60000116.5N725 L729 E730 H734 D753N725-S732 WeakPolarHBondContact CB-OG 3.34Å; N725-S732 PolarHBondContact ND2-OG 3.06Å; L729-S732 PolarHBondContact O-N 3.32Å; L729-S732 VanDerWaalsContact O-N 3.13Å; E730-S732 PolarHBondContact O-N 3.08Å; E730-S732 VanDerWaalsContact O-N 3.1Å; S732-H734 PolarHBondContact O-CE1 2.9Å; S732-H734 PolarHBondContact O-N 2.92Å; S732-H734 PolarHBondContact O-ND1 3.36Å; S732-D753 VanDerWaalsContact CB-O 3.26Å; S732-D753 WeakPolarHBondContact CB-O 3.46Å; S732-D753 PolarHBondContact N-O 2.86Å; S732-D753 PolarHBondContact OG-O 3.02Å
733E86.6Confident86.5Confident145 Ų14559.5 Ų59.568%0.67833%0.334SS*.G310 helixtrans60.216.8-165.7-58.1-175.1151.300114.8L729 C731L729-E733 HydrophobicContact CB-CG 4.3Å; L729-E733 HydrophobicContact CD1-CG 4.08Å; L729-E733 HydrophobicContact CD2-CG 4.16Å; L729-E733 HydrophobicContact CG-CG 4.4Å; C731-E733 PolarHBondContact O-N 2.93Å
734H89.7Confident86.6Confident65 Ų6559.5 Ų59.530%0.30133%0.329SS..SBendtrans-124.934.4179.5-60.895.6000111.8C731 S732 C745 D746 W749 C754C731-H734 CarbonylContact O-C 3.54Å; C731-H734 PolarHBondContact O-N 2.86Å; S732-H734 PolarHBondContact O-CE1 2.9Å; S732-H734 PolarHBondContact O-N 2.92Å; S732-H734 PolarHBondContact O-ND1 3.36Å; H734-C745 WeakPolarHBondContact O-CA 3.4Å; H734-D746 WeakPolarHBondContact CA-OD2 3.31Å; H734-D746 PolarHBondContact O-N 2.88Å; H734-W749 HydrophobicContact CB-CB 4.14Å; H734-W749 HydrophobicContact CB-CD2 3.72Å; H734-W749 HydrophobicContact CB-CE3 4.24Å; H734-W749 HydrophobicContact CB-CG 3.65Å; H734-W749 AromaticContact CD2-CD1 3.97Å; H734-W749 AromaticContact CD2-CD2 3.86Å; H734-W749 AromaticContact CD2-CE2 3.2Å; H734-W749 AromaticContact CD2-CZ2 3.36Å; H734-W749 WeakPolarHBondContact CD2-CZ2 3.32Å; H734-W749 AromaticContact CD2-NE1 3.3Å; H734-W749 PolarHBondContact CD2-NE1 3.48Å; H734-W749 VanDerWaalsContact CD2-NE1 3.3Å; H734-W749 AromaticContact CE1-CH2 3.93Å; H734-W749 AromaticContact CE1-CZ2 3.86Å; H734-W749 AromaticContact CG-CD2 3.71Å; H734-W749 AromaticContact CG-CE2 3.56Å; H734-W749 AromaticContact CG-CZ2 3.86Å; H734-W749 AromaticContact CG-NE1 3.86Å; H734-W749 AromaticContact NE2-CE2 3.76Å; H734-W749 AromaticContact NE2-CH2 3.88Å; H734-W749 AromaticContact NE2-CZ2 3.35Å; H734-W749 WeakPolarHBondContact NE2-CZ2 3.3Å; H734-C754 HydrophobicContact CB-CB 4.29Å; H734-C754 WeakPolarHBondContact O-CB 3.36Å
735G89.4Confident86.9Confident17 Ų1759 Ų5918%0.17532%0.322CS..EExtended strand (participates in β ladder)trans175.5169.6179.200000112.8C731 F744 D746C731-G735 WeakPolarHBondContact CB-O 3.35Å; C731-G735 PolarHBondContact O-N 2.92Å; G735-F744 CarbonylContact C-O 3.15Å; G735-F744 WeakPolarHBondContact CA-O 3.21Å; G735-D746 PolarHBondContact N-OD2 2.9Å
736V90.5Very high87.2Confident44 Ų4461.2 Ų61.227%0.26733%0.334SS..EExtended strand (participates in β ladder)trans-110.7137.2-177.8-171.60000110.7K564 F744K564-V736 HydrophobicContact CB-CG1 4.34Å; K564-V736 HydrophobicContact CD-CG1 3.86Å; K564-V736 HydrophobicContact CG-CG1 3.74Å; V736-F744 PolarHBondContact N-O 2.96Å; V736-F744 PolarHBondContact O-N 3.37Å
737C90.7Very high87.5Confident21 Ų2163.2 Ų63.214%0.14233%0.331CS..EExtended strand (participates in β ladder)trans-79.6123.1179.3-175.50000111.7K565 C722K565-C737 WeakPolarHBondContact CE-SG 3.21Å; K565-C737 PolarHBondContact N-O 2.91Å; K565-C737 PolarHBondContact NZ-SG 3.28Å; C722-C737 HydrophobicContact CB-CB 3.8Å; C722-C737 WeakPolarHBondContact CB-SG 3.3Å; C722-C737 WeakPolarHBondContact SG-CA 3.5Å; C722-C737 WeakPolarHBondContact SG-CB 3.33Å; C722-C737 CovalentContact SG-SG 2.02Å; C722-C737 PolarHBondContact SG-SG 3.19Å
738T90.4Very high87.8Confident3 Ų356.7 Ų56.72%0.01831%0.305CS..BIsolated β-bridgetrans-84.4161.1-174.168.60000113.3L547 V562 F563 K565 T740 N741 R742 F744L547-T738 HydrophobicContact CD1-CG2 4.02Å; V562-T738 HydrophobicContact CG1-CG2 3.41Å; V562-T738 VanDerWaalsContact CG1-CG2 3.41Å; F563-T738 CarbonylContact O-C 3.56Å; F563-T738 WeakPolarHBondContact O-CA 3.13Å; K565-T738 VanDerWaalsContact CE-O 3.24Å; K565-T738 WeakPolarHBondContact CE-O 3.43Å; K565-T738 VanDerWaalsContact CG-O 3.25Å; K565-T738 WeakPolarHBondContact CG-O 3.35Å; T738-T740 PolarHBondContact O-N 3.21Å; T738-T740 VanDerWaalsContact O-N 3.16Å; T738-T740 PolarHBondContact OG1-N 3.08Å; T738-T740 PolarHBondContact OG1-OG1 3.02Å; T738-N741 PolarHBondContact O-N 2.96Å; T738-N741 PolarHBondContact OG1-N 3.35Å; T738-R742 WeakPolarHBondContact CG2-O 3.34Å; T738-R742 PolarHBondContact N-O 3.36Å; T738-R742 PolarHBondContact OG1-N 3.13Å; T738-R742 PolarHBondContact OG1-O 3.14Å; T738-R742 VanDerWaalsContact OG1-O 3.08Å; T738-F744 HydrophobicContact CG2-CB 3.98Å
739N87.9Confident88.3Confident43 Ų4358.1 Ų58.123%0.2329%0.294CS..THydrogen-bonded Turntrans-46.2-33.5162.962.4-9.6000113.6D561 F563 N741D561-N739 PolarHBondContact O-ND2 3.46Å; F563-N739 WeakPolarHBondContact CD1-ND2 3.17Å; F563-N739 HydrophobicContact CD2-CB 3.78Å; F563-N739 HydrophobicContact CE1-CB 4.38Å; F563-N739 WeakPolarHBondContact CE1-ND2 3.45Å; F563-N739 HydrophobicContact CE2-CB 3.58Å; F563-N739 HydrophobicContact CG-CB 4.27Å; F563-N739 HydrophobicContact CZ-CB 3.9Å; F563-N739 WeakPolarHBondContact CZ-ND2 3.49Å; F563-N739 PolarHBondContact N-ND2 3.31Å; F563-N739 PolarHBondContact O-N 2.91Å; N739-N741 VanDerWaalsContact C-N 3.32Å; N739-N741 PolarHBondContact O-N 2.67Å
740T85.9Confident88.3Confident78 Ų7856.1 Ų56.148%0.47929%0.286SS..THydrogen-bonded Turntrans-87.811.4179.246.10000114.2T738 R742T738-T740 PolarHBondContact O-N 3.21Å; T738-T740 VanDerWaalsContact O-N 3.16Å; T738-T740 PolarHBondContact OG1-N 3.08Å; T738-T740 PolarHBondContact OG1-OG1 3.02Å; T740-R742 PolarHBondContact O-N 2.82Å
741N87.2Confident88.2Confident41 Ų4155.2 Ų55.222%0.21929%0.293CS..SBendtrans58.829.3-178.7-69.1-86.8000114.4K565 D718 T720 C722 T738 N739K565-N741 VanDerWaalsContact CE-OD1 3.26Å; K565-N741 WeakPolarHBondContact CE-OD1 3.46Å; K565-N741 PolarHBondContact NZ-OD1 2.95Å; D718-N741 PolarHBondContact OD2-ND2 3.21Å; D718-N741 PolarHBondContact OD2-OD1 2.73Å; T720-N741 WeakPolarHBondContact CB-OD1 3.42Å; T720-N741 PolarHBondContact O-OD1 3.11Å; T720-N741 VanDerWaalsContact O-OD1 3.04Å; T720-N741 PolarHBondContact OG1-ND2 3.47Å; T720-N741 PolarHBondContact OG1-OD1 3.4Å; C722-N741 VanDerWaalsContact SG-C 3.55Å; T738-N741 PolarHBondContact O-N 2.96Å; T738-N741 PolarHBondContact OG1-N 3.35Å; N739-N741 VanDerWaalsContact C-N 3.32Å; N739-N741 PolarHBondContact O-N 2.67Å
742R88.8Confident88Confident184 Ų18461.9 Ų61.969%0.69433%0.329SS*.  trans-109.3160.1173.8-65.3178.7177.5179.9-1.6109.8C722 T738 T740C722-R742 PolarHBondContact SG-O 2.96Å; T738-R742 WeakPolarHBondContact CG2-O 3.34Å; T738-R742 PolarHBondContact N-O 3.36Å; T738-R742 PolarHBondContact OG1-N 3.13Å; T738-R742 PolarHBondContact OG1-O 3.14Å; T738-R742 VanDerWaalsContact OG1-O 3.08Å; T740-R742 PolarHBondContact O-N 2.82Å
743C91.4Very high88.1Confident20 Ų2063 Ų6314%0.13533%0.334CS..EExtended strand (participates in β ladder)trans-92.9122.8172.6-68.10000110.6C731 C754C731-C743 WeakPolarHBondContact CA-SG 3.38Å; C731-C743 HydrophobicContact CB-CB 3.66Å; C731-C743 WeakPolarHBondContact CB-SG 3.48Å; C731-C743 WeakPolarHBondContact SG-CA 3.48Å; C731-C743 WeakPolarHBondContact SG-CB 3.02Å; C731-C743 CovalentContact SG-SG 2.04Å; C731-C743 PolarHBondContact SG-SG 2.99Å; C743-C754 WeakPolarHBondContact CB-SG 3.28Å
744F91Very high88.3Confident50 Ų5056.1 Ų56.122%0.21930%0.302CS..EExtended strand (participates in β ladder)trans-89.5106.5167-176.9-81000107.6L547 P548 Y550 G735 V736 T738L547-F744 HydrophobicContact CB-CD2 4.36Å; L547-F744 HydrophobicContact CB-CE2 4.28Å; L547-F744 HydrophobicContact CD1-CB 4.01Å; L547-F744 HydrophobicContact CD1-CD2 4.15Å; L547-F744 HydrophobicContact CD1-CG 4.01Å; L547-F744 HydrophobicContact CD2-CD1 4.31Å; P548-F744 HydrophobicContact CG-CZ 3.93Å; P548-F744 WeakPolarHBondContact O-CE2 3.36Å; Y550-F744 AromaticContact CE2-CE2 3.87Å; Y550-F744 HydrophobicContact CE2-CE2 3.87Å; Y550-F744 AromaticContact CE2-CZ 3.81Å; Y550-F744 HydrophobicContact CE2-CZ 3.81Å; G735-F744 CarbonylContact C-O 3.15Å; G735-F744 WeakPolarHBondContact CA-O 3.21Å; V736-F744 PolarHBondContact N-O 2.96Å; V736-F744 PolarHBondContact O-N 3.37Å; T738-F744 HydrophobicContact CG2-CB 3.98Å
745C91.1Very high88.2Confident32 Ų3256 Ų5622%0.21631%0.309CS..EExtended strand (participates in β ladder)trans-81148.3-171-54.70000113.2H734 W749 C754H734-C745 WeakPolarHBondContact O-CA 3.4Å; C745-W749 HydrophobicContact CB-CB 4.17Å; C745-W749 WeakPolarHBondContact CB-O 3.42Å; C745-C754 WeakPolarHBondContact CA-SG 3.41Å; C745-C754 HydrophobicContact CB-CB 3.81Å; C745-C754 WeakPolarHBondContact CB-SG 3.07Å; C745-C754 WeakPolarHBondContact SG-CA 3.37Å; C745-C754 WeakPolarHBondContact SG-CB 3.18Å; C745-C754 CovalentContact SG-SG 2.04Å; C745-C754 PolarHBondContact SG-SG 3.39Å
746D88.8Confident88.1Confident80 Ų8057.8 Ų57.843%0.42832%0.318SS..PPolyproline II helixtrans-69.2153.7172.7-67.3-49.5000111.2H734 G735 G748 W749H734-D746 WeakPolarHBondContact CA-OD2 3.31Å; H734-D746 PolarHBondContact O-N 2.88Å; G735-D746 PolarHBondContact N-OD2 2.9Å; D746-G748 PolarHBondContact O-N 2.81Å; D746-G748 VanDerWaalsContact O-N 3.12Å; D746-W749 PolarHBondContact O-N 3.08Å
747M83.2Confident87.7Confident174 Ų17460.7 Ų60.786%0.85734%0.336SS*.THydrogen-bonded Turntrans-54.9118.7-177.6-70.9-177.9-75.200112.2
748G83.3Confident87Confident17 Ų1763.2 Ų63.218%0.17535%0.35CS..THydrogen-bonded Turntrans101.2-2.5-175.600000114.6D746 V757 V758D746-G748 PolarHBondContact O-N 2.81Å; D746-G748 VanDerWaalsContact O-N 3.12Å; G748-V757 CarbonylContact O-C 3.44Å; G748-V757 WeakPolarHBondContact O-CA 3.45Å; G748-V758 PolarHBondContact O-N 3.11Å
749W89.4Confident85.7Confident84 Ų8470.5 Ų70.532%0.31839%0.388SS..EExtended strand (participates in β ladder)trans-117.6159.2174.5-63.691.3000112H734 C745 D746 C754 S756 V757H734-W749 HydrophobicContact CB-CB 4.14Å; H734-W749 HydrophobicContact CB-CD2 3.72Å; H734-W749 HydrophobicContact CB-CE3 4.24Å; H734-W749 HydrophobicContact CB-CG 3.65Å; H734-W749 AromaticContact CD2-CD1 3.97Å; H734-W749 AromaticContact CD2-CD2 3.86Å; H734-W749 AromaticContact CD2-CE2 3.2Å; H734-W749 AromaticContact CD2-CZ2 3.36Å; H734-W749 WeakPolarHBondContact CD2-CZ2 3.32Å; H734-W749 AromaticContact CD2-NE1 3.3Å; H734-W749 PolarHBondContact CD2-NE1 3.48Å; H734-W749 VanDerWaalsContact CD2-NE1 3.3Å; H734-W749 AromaticContact CE1-CH2 3.93Å; H734-W749 AromaticContact CE1-CZ2 3.86Å; H734-W749 AromaticContact CG-CD2 3.71Å; H734-W749 AromaticContact CG-CE2 3.56Å; H734-W749 AromaticContact CG-CZ2 3.86Å; H734-W749 AromaticContact CG-NE1 3.86Å; H734-W749 AromaticContact NE2-CE2 3.76Å; H734-W749 AromaticContact NE2-CH2 3.88Å; H734-W749 AromaticContact NE2-CZ2 3.35Å; H734-W749 WeakPolarHBondContact NE2-CZ2 3.3Å; C745-W749 HydrophobicContact CB-CB 4.17Å; C745-W749 WeakPolarHBondContact CB-O 3.42Å; D746-W749 PolarHBondContact O-N 3.08Å; W749-C754 HydrophobicContact CB-CB 4.45Å; W749-C754 VanDerWaalsContact CE3-O 3.27Å; W749-S756 CarbonylContact C-O 3.53Å; W749-S756 WeakPolarHBondContact CA-O 3.15Å; W749-V757 HydrophobicContact CD2-CG2 4.45Å; W749-V757 HydrophobicContact CE3-CG2 3.94Å; W749-V757 HydrophobicContact CH2-CG2 3.73Å; W749-V757 HydrophobicContact CZ2-CG2 4.23Å; W749-V757 HydrophobicContact CZ3-CG2 3.56Å
750G83.7Confident84.2Confident9 Ų974 Ų749%0.09341%0.406CS..EExtended strand (participates in β ladder)trans-172.7-174.2-177.600000113.6C754 S756G750-C754 CarbonylContact O-C 3.54Å; G750-C754 WeakPolarHBondContact O-CA 3.28Å; G750-S756 PolarHBondContact N-O 3.3Å; G750-S756 PolarHBondContact O-N 3.32Å; G750-S756 VanDerWaalsContact O-N 3.07Å; G750-S756 PolarHBondContact O-OG 2.86Å
751G84.1Confident82.4Confident43 Ų4376.6 Ų76.644%0.44342%0.423SS..SBendtrans81.2163-165.400000111.6D753 C754G751-D753 PolarHBondContact O-N 2.92Å; G751-C754 PolarHBondContact O-N 2.76Å
752N87.4Confident80.3Confident143 Ų14379.8 Ų79.877%0.76544%0.444SS*.THydrogen-bonded Turntrans-60.8-24.7-166.7-64.112.2000114.6P723P723-N752 VanDerWaalsContact CB-O 3.31Å; P723-N752 WeakPolarHBondContact CB-O 3.34Å; P723-N752 WeakPolarHBondContact CG-O 2.89Å
753D90Very high77.9Confident30 Ų3075.4 Ų75.416%0.1645%0.447CS..THydrogen-bonded Turntrans-113.712.5178.769.6-21.5000113.1P723 C731 S732 G751 S755P723-D753 HydrophobicContact CB-CB 3.82Å; C731-D753 CarbonylContact C-O 3.56Å; C731-D753 WeakPolarHBondContact CA-O 3.28Å; S732-D753 VanDerWaalsContact CB-O 3.26Å; S732-D753 WeakPolarHBondContact CB-O 3.46Å; S732-D753 PolarHBondContact N-O 2.86Å; S732-D753 PolarHBondContact OG-O 3.02Å; G751-D753 PolarHBondContact O-N 2.92Å; D753-S755 VanDerWaalsContact CG-OG 3.27Å; D753-S755 PolarHBondContact O-N 2.9Å; D753-S755 WeakPolarHBondContact OD1-CB 3.42Å; D753-S755 PolarHBondContact OD1-N 2.69Å; D753-S755 VanDerWaalsContact OD1-N 3.13Å; D753-S755 PolarHBondContact OD1-OG 3.24Å; D753-S755 WeakPolarHBondContact OD2-CB 3.26Å; D753-S755 PolarHBondContact OD2-OG 3.18Å
754C90.7Very high75.4Confident0 Ų081.2 Ų81.20%048%0.476CS..SBendtrans54.724.8-173.7-49.50000115.1H734 C743 C745 W749 G750 G751H734-C754 HydrophobicContact CB-CB 4.29Å; H734-C754 WeakPolarHBondContact O-CB 3.36Å; C743-C754 WeakPolarHBondContact CB-SG 3.28Å; C745-C754 WeakPolarHBondContact CA-SG 3.41Å; C745-C754 HydrophobicContact CB-CB 3.81Å; C745-C754 WeakPolarHBondContact CB-SG 3.07Å; C745-C754 WeakPolarHBondContact SG-CA 3.37Å; C745-C754 WeakPolarHBondContact SG-CB 3.18Å; C745-C754 CovalentContact SG-SG 2.04Å; C745-C754 PolarHBondContact SG-SG 3.39Å; W749-C754 HydrophobicContact CB-CB 4.45Å; W749-C754 VanDerWaalsContact CE3-O 3.27Å; G750-C754 CarbonylContact O-C 3.54Å; G750-C754 WeakPolarHBondContact O-CA 3.28Å; G751-C754 PolarHBondContact O-N 2.76Å
755S88.4Confident73Confident64 Ų6484.4 Ų84.445%0.44850%0.501SS..  trans-81.9-12.9-179.364.40000114.9D753D753-S755 VanDerWaalsContact CG-OG 3.27Å; D753-S755 PolarHBondContact O-N 2.9Å; D753-S755 WeakPolarHBondContact OD1-CB 3.42Å; D753-S755 PolarHBondContact OD1-N 2.69Å; D753-S755 VanDerWaalsContact OD1-N 3.13Å; D753-S755 PolarHBondContact OD1-OG 3.24Å; D753-S755 WeakPolarHBondContact OD2-CB 3.26Å; D753-S755 PolarHBondContact OD2-OG 3.18Å
756S86.2Confident70.6Confident53 Ų5389.8 Ų89.837%0.37153%0.533SS..EExtended strand (participates in β ladder)trans-102.4138.6-178.671.40000112.4W749 G750W749-S756 CarbonylContact C-O 3.53Å; W749-S756 WeakPolarHBondContact CA-O 3.15Å; G750-S756 PolarHBondContact N-O 3.3Å; G750-S756 PolarHBondContact O-N 3.32Å; G750-S756 VanDerWaalsContact O-N 3.07Å; G750-S756 PolarHBondContact O-OG 2.86Å
757V82.9Confident68.2Low106 Ų10693.2 Ų93.264%0.64255%0.547SS*.EExtended strand (participates in β ladder)trans-83.2125.6174.9179.80000108.8G748 W749G748-V757 CarbonylContact O-C 3.44Å; G748-V757 WeakPolarHBondContact O-CA 3.45Å; W749-V757 HydrophobicContact CD2-CG2 4.45Å; W749-V757 HydrophobicContact CE3-CG2 3.94Å; W749-V757 HydrophobicContact CH2-CG2 3.73Å; W749-V757 HydrophobicContact CZ2-CG2 4.23Å; W749-V757 HydrophobicContact CZ3-CG2 3.56Å
758V74.6Confident65.9Low73 Ų7389.4 Ų89.444%0.44254%0.543SS..PPolyproline II helixtrans-102.6124.1178.9179.70000109.1G748 L760G748-V758 PolarHBondContact O-N 3.11Å; V758-L760 PolarHBondContact O-N 3.1Å
759L63.1Low63.8Low156 Ų15696.7 Ų96.782%0.81758%0.577SS**  trans-76107.9179.5-151.179.2000109.9T761L759-T761 PolarHBondContact O-N 2.81Å
760L56.1Low61.3Low116 Ų11698 Ų9861%0.60760%0.597SS**  trans-66.695.2-178.9-78.7154.5000111.9V758 T762V758-L760 PolarHBondContact O-N 3.1Å; L760-T762 VanDerWaalsContact C-N 3.28Å; L760-T762 PolarHBondContact O-N 3.2Å
761T48Very low59Low134 Ų134103.6 Ų103.682%0.82263%0.629SS**  trans-79.576.416752.30000110.1L759 A763L759-T761 PolarHBondContact O-N 2.81Å; T761-A763 PolarHBondContact O-N 2.97Å; T761-A763 VanDerWaalsContact O-N 3.12Å
762T43.3Very low57.1Low108 Ų108107.5 Ų107.566%0.66365%0.647SS**  trans-61.7110.4-174.3-48.10000112.5L760 L764L760-T762 VanDerWaalsContact C-N 3.28Å; L760-T762 PolarHBondContact O-N 3.2Å; T762-L764 PolarHBondContact O-N 3.31Å
763A38.7Very low54.7Low92 Ų92109.3 Ų109.376%0.7665%0.65SS**PPolyproline II helixtrans-66127160.600000108.9T761T761-A763 PolarHBondContact O-N 2.97Å; T761-A763 VanDerWaalsContact O-N 3.12Å
764L39.7Very low52Low142 Ų142115.4 Ų115.474%0.74368%0.683SS**PPolyproline II helixtrans-66.1139.8-177.2-129.873.8000110.6T762 T766T762-L764 PolarHBondContact O-N 3.31Å; L764-T766 PolarHBondContact O-N 3.15Å
765P39.9Very low49.4Very low117 Ų117121.9 Ų121.976%0.7672%0.723SS**PPolyproline II helixtrans-60.3124.1174.8-22.833.6000111.1E767P765-E767 PolarHBondContact O-N 2.88Å
766T40.7Very low46.7Very low144 Ų144125.9 Ų125.988%0.88374%0.738SS**  trans-67.1106.4176.7-57.80000109.9L764 A768L764-T766 PolarHBondContact O-N 3.15Å; T766-A768 PolarHBondContact O-N 3.02Å
767E38.4Very low44.2Very low152 Ų152132.9 Ų132.971%0.7176%0.761SS**PPolyproline II helixtrans-62128.5178.7-164.7170.8-153.400110.4P765 L769P765-E767 PolarHBondContact O-N 2.88Å; E767-L769 PolarHBondContact O-N 2.99Å
768A35.2Very low41.5Very low95 Ų95136.2 Ų136.279%0.78577%0.772SS**PPolyproline II helixtrans-68.3117.1-171.700000111.8T766T766-A768 PolarHBondContact O-N 3.02Å
769L39.2Very low39.7Very low169 Ų169142.2 Ų142.289%0.88580%0.796SS**PPolyproline II helixtrans-70.5126.3-179.5-13379.4000110.9E767E767-L769 PolarHBondContact O-N 2.99Å
770P36.8Very low38.1Very low113 Ų113143.3 Ų143.373%0.73479%0.794SS**PPolyproline II helixtrans-74.5143.9-177.729.1-35000112.5
771T35.6Very low37Very low125 Ų125146 Ų14677%0.76780%0.8SS**PPolyproline II helixtrans-61.9127.2173.348.50000111.5E773T771-E773 PolarHBondContact O-N 2.88Å
772P44.2Very low36.4Very low126 Ų126146.9 Ų146.982%0.81880%0.795SS**  trans-75.8108.8176.429.5-33.1000111
773E37.6Very low35.9Very low180 Ų180148 Ų14884%0.84180%0.802SS**  trans-66.3151.2170.8-73-165.9110.700112.4T771T771-E773 PolarHBondContact O-N 2.88Å
774N32.9Very low35.9Very low158 Ų158150 Ų15085%0.84581%0.807SS**  trans-65.1132.6-175.4-66.9-78.6000113.2
775T35.3Very low35.4Very low136 Ų136153.7 Ų153.783%0.83481%0.813SS**  trans-142.5117153.4-9.50000112.4K777T775-K777 PolarHBondContact O-N 3.36Å
776I31.5Very low35.3Very low149 Ų149151.2 Ų151.276%0.76481%0.809SS**  trans-79.9115-177.7-58.6168.5000109.9
777K34Very low35Very low199 Ų199149.7 Ų149.787%0.86580%0.799SS**  trans-138.6125159.6-74.3-170.2177.9175.90110.7T775T775-K777 PolarHBondContact O-N 3.36Å
778M27.7Very low35Very low177 Ų177148.2 Ų148.287%0.87281%0.806SS**  trans-98116.2174.6-58.9176-173.500109.6
779E35.7Very low35Very low199 Ų199150.2 Ų150.293%0.9380%0.803SS**  trans-148.9-172.4152.5-130.5177135.600111.6
780K30.7Very low35.1Very low179 Ų179150.8 Ų150.878%0.77880%0.801SS**  trans-151.7147-132.9176.3-169.3176.5-1760113.4
781K31.8Very low35.5Very low171 Ų171152.9 Ų152.974%0.74381%0.806SS**  trans71.1156.3166-105.9-168.3157.8-155.10113.9
782E35.9Very low35.8Very low153 Ų153158.2 Ų158.272%0.71581%0.812SS**  cis-135.9175.92.2-63.8-162.2126.800112.3
783T32.5Very low36.6Very low132 Ų132157.2 Ų157.281%0.8180%0.799SS**  trans-124.9139.5-179.853.30000113.2
784P38Very low37.9Very low133 Ų133151.7 Ų151.786%0.86478%0.78SS**  trans-77.2-178.3162.4-15.932.8000113.9
785Y31Very low39.6Very low221 Ų221149.8 Ų149.887%0.86777%0.774SS**  trans-149.6147.7-153.8-166.5-92.5000113.5T787Y785-T787 HydrophobicContact CD1-CG2 3.74Å; Y785-T787 HydrophobicContact CE1-CG2 3.35Å
786G36.2Very low41.4Very low65 Ų65149 Ų14967%0.6777%0.765SS**  trans156.968.6175.600000115.3
787T34.5Very low43.3Very low111 Ų111144.8 Ų144.868%0.68175%0.746SS**  74.9100.590.360.90000117.9Y785Y785-T787 HydrophobicContact CD1-CG2 3.74Å; Y785-T787 HydrophobicContact CE1-CG2 3.35Å
788S38.6Very low45.2Very low122 Ų122140 Ų14085%0.85373%0.728SS**  trans-162.1132.5130.961.30000110.5
789D34.5Very low47.8Very low137 Ų137135.5 Ų135.573%0.73371%0.71SS**  trans-91.5142-170.7-64-91.6000115
790Q41.4Very low50Low181 Ų181130 Ų13085%0.84669%0.686SS**  -169.8167.5123.1-99.3145.345.800112.4
791N46.8Very low52.5Low156 Ų156125.3 Ų125.383%0.83467%0.669SS**  trans64.436.1174.6-63.4-14.9000118.8I793N791-I793 VanDerWaalsContact C-N 3.31Å; N791-I793 PolarHBondContact O-N 3.41Å
792R41Very low55Low237 Ų237122.1 Ų122.189%0.89466%0.659SS**  trans-71.487.1156.5-66.4-169.983.8-179.87.8110.6S794R792-S794 PolarHBondContact O-N 2.93Å
793I60.5Low57.4Low106 Ų106118 Ų11854%0.54464%0.644SS.*  trans-58.5110.5160.4-63.7179000106.6N791 T797 M798N791-I793 VanDerWaalsContact C-N 3.31Å; N791-I793 PolarHBondContact O-N 3.41Å; I793-T797 VanDerWaalsContact CG2-OG1 3.31Å; I793-T797 WeakPolarHBondContact CG2-OG1 2.87Å; I793-M798 HydrophobicContact CG2-CE 4.49Å; I793-M798 HydrophobicContact CG2-CG 4.16Å
794S66.3Low60.1Low64 Ų64115.4 Ų115.445%0.44863%0.628SS.*  trans-55147.7-178.7175.60000111.3R792 L796 T797 M798R792-S794 PolarHBondContact O-N 2.93Å; S794-L796 PolarHBondContact O-N 3.05Å; S794-L796 VanDerWaalsContact O-N 3.1Å; S794-L796 WeakPolarHBondContact OG-CB 3.06Å; S794-L796 PolarHBondContact OG-N 3.15Å; S794-T797 WeakPolarHBondContact CA-OG1 3.47Å; S794-T797 WeakPolarHBondContact CB-OG1 3.4Å; S794-T797 PolarHBondContact N-OG1 3.3Å; S794-T797 WeakPolarHBondContact O-CA 3.45Å; S794-T797 PolarHBondContact O-N 3.48Å; S794-T797 PolarHBondContact O-OG1 3.46Å; S794-M798 PolarHBondContact O-N 3.39Å
795T66.8Low62.6Low117 Ų117113.4 Ų113.472%0.71861%0.61SS**Hα-helixtrans-52.2-32.9169.9-25.70000111.1M798 V799T795-M798 PolarHBondContact O-N 2.89Å; T795-V799 WeakPolarHBondContact O-CG2 3.33Å; T795-V799 PolarHBondContact O-N 2.9Å
796L74.5Confident65.4Low121 Ų121107.3 Ų107.363%0.63460%0.595SS**Hα-helixtrans-65-42.2175.6-144.8167.4000111.4S794 V799 I800S794-L796 PolarHBondContact O-N 3.05Å; S794-L796 VanDerWaalsContact O-N 3.1Å; S794-L796 WeakPolarHBondContact OG-CB 3.06Å; S794-L796 PolarHBondContact OG-N 3.15Å; L796-V799 PolarHBondContact O-N 3.16Å; L796-I800 HydrophobicContact CD2-CD1 3.62Å; L796-I800 HydrophobicContact CD2-CG1 4.18Å; L796-I800 VanDerWaalsContact O-CG1 3.25Å; L796-I800 WeakPolarHBondContact O-CG1 3.35Å; L796-I800 PolarHBondContact O-N 2.78Å
797T71.9Confident67.8Low60 Ų60110.9 Ų110.937%0.36859%0.592SS.*Hα-helixtrans-69.9-34.2173.1290000113.4I793 S794 I800 I801I793-T797 VanDerWaalsContact CG2-OG1 3.31Å; I793-T797 WeakPolarHBondContact CG2-OG1 2.87Å; S794-T797 WeakPolarHBondContact CA-OG1 3.47Å; S794-T797 WeakPolarHBondContact CB-OG1 3.4Å; S794-T797 PolarHBondContact N-OG1 3.3Å; S794-T797 WeakPolarHBondContact O-CA 3.45Å; S794-T797 PolarHBondContact O-N 3.48Å; S794-T797 PolarHBondContact O-OG1 3.46Å; T797-I800 PolarHBondContact O-N 3.14Å; T797-I801 VanDerWaalsContact O-CG1 3.3Å; T797-I801 WeakPolarHBondContact O-CG1 3.41Å; T797-I801 PolarHBondContact O-N 2.81Å
798M73.8Confident70.3Confident98 Ų98109.2 Ų109.248%0.48358%0.584SS.*Hα-helixtrans-64.4-42.1171-84.8-65.6-177.200112I793 S794 T795 I800 I801 L802I793-M798 HydrophobicContact CG2-CE 4.49Å; I793-M798 HydrophobicContact CG2-CG 4.16Å; S794-M798 PolarHBondContact O-N 3.39Å; T795-M798 PolarHBondContact O-N 2.89Å; M798-I800 VanDerWaalsContact C-N 3.34Å; M798-I800 PolarHBondContact O-N 3.37Å; M798-I801 PolarHBondContact O-N 2.68Å; M798-L802 WeakPolarHBondContact O-CG 3.37Å; M798-L802 PolarHBondContact O-N 3.41Å
799V81.2Confident72.8Confident83 Ų83106.9 Ų106.950%0.50357%0.565SS.*Hα-helixtrans-65.5-35.6173.3170.80000111.7T795 L796 T803T795-V799 WeakPolarHBondContact O-CG2 3.33Å; T795-V799 PolarHBondContact O-N 2.9Å; L796-V799 PolarHBondContact O-N 3.16Å; V799-T803 HydrophobicContact CG1-CG2 4.3Å; V799-T803 WeakPolarHBondContact O-CB 3.17Å; V799-T803 VanDerWaalsContact O-CG2 3.3Å; V799-T803 WeakPolarHBondContact O-CG2 3.33Å; V799-T803 PolarHBondContact O-N 3.26Å; V799-T803 PolarHBondContact O-OG1 3.08Å
800I81.6Confident75.4Confident84 Ų84108 Ų10843%0.43156%0.564SS.*Hα-helixtrans-63.2-46.5171.6-72.4162.9000110.7L796 T797 M798 T803 V804L796-I800 HydrophobicContact CD2-CD1 3.62Å; L796-I800 HydrophobicContact CD2-CG1 4.18Å; L796-I800 VanDerWaalsContact O-CG1 3.25Å; L796-I800 WeakPolarHBondContact O-CG1 3.35Å; L796-I800 PolarHBondContact O-N 2.78Å; T797-I800 PolarHBondContact O-N 3.14Å; M798-I800 VanDerWaalsContact C-N 3.34Å; M798-I800 PolarHBondContact O-N 3.37Å; I800-T803 PolarHBondContact O-N 3.29Å; I800-T803 PolarHBondContact O-OG1 2.99Å; I800-V804 HydrophobicContact CG2-CG2 4.39Å; I800-V804 WeakPolarHBondContact O-CB 3.45Å; I800-V804 VanDerWaalsContact O-CG2 3.26Å; I800-V804 WeakPolarHBondContact O-CG2 3.31Å; I800-V804 PolarHBondContact O-N 2.9Å
801I84.6Confident77.7Confident79 Ų79104.6 Ų104.641%0.40555%0.55SS..Hα-helixtrans-60.1-50.2177.9-70.2162.7000110.6T797 M798 T803 V804 I805T797-I801 VanDerWaalsContact O-CG1 3.3Å; T797-I801 WeakPolarHBondContact O-CG1 3.41Å; T797-I801 PolarHBondContact O-N 2.81Å; M798-I801 PolarHBondContact O-N 2.68Å; I801-T803 PolarHBondContact O-N 2.68Å; I801-V804 PolarHBondContact O-N 3.26Å; I801-I805 HydrophobicContact CG2-CD1 3.75Å; I801-I805 HydrophobicContact CG2-CG1 4.49Å; I801-I805 WeakPolarHBondContact O-CG1 3.44Å; I801-I805 PolarHBondContact O-N 2.72Å
802L84Confident79.5Confident105 Ų10599.5 Ų99.555%0.5553%0.527SS..Hα-helixtrans-61-43.8177.8-73.7168.4000112.5M798 V804 I805 V806M798-L802 WeakPolarHBondContact O-CG 3.37Å; M798-L802 PolarHBondContact O-N 3.41Å; L802-V804 VanDerWaalsContact C-N 3.32Å; L802-V804 PolarHBondContact O-N 3.31Å; L802-I805 PolarHBondContact O-N 3.4Å; L802-V806 WeakPolarHBondContact O-CB 3.42Å; L802-V806 WeakPolarHBondContact O-CG2 3.41Å; L802-V806 PolarHBondContact O-N 3.32Å
803T86.3Confident81.7Confident65 Ų6595 Ų9540%0.39951%0.514SS..Hα-helixtrans-72.2-23.2178.355.50000113.5V799 I800 I801 K807V799-T803 HydrophobicContact CG1-CG2 4.3Å; V799-T803 WeakPolarHBondContact O-CB 3.17Å; V799-T803 VanDerWaalsContact O-CG2 3.3Å; V799-T803 WeakPolarHBondContact O-CG2 3.33Å; V799-T803 PolarHBondContact O-N 3.26Å; V799-T803 PolarHBondContact O-OG1 3.08Å; I800-T803 PolarHBondContact O-N 3.29Å; I800-T803 PolarHBondContact O-OG1 2.99Å; I801-T803 PolarHBondContact O-N 2.68Å; T803-K807 WeakPolarHBondContact O-CB 3.46Å; T803-K807 WeakPolarHBondContact O-CD 3.34Å; T803-K807 WeakPolarHBondContact O-CG 3.25Å; T803-K807 PolarHBondContact O-N 2.89Å
804V89.2Confident82.9Confident78 Ų7892.3 Ų92.347%0.47351%0.507SS..Hα-helixtrans-72.4-49.1167.8167.70000110.4I800 I801 L802 V806 K807 C808I800-V804 HydrophobicContact CG2-CG2 4.39Å; I800-V804 WeakPolarHBondContact O-CB 3.45Å; I800-V804 VanDerWaalsContact O-CG2 3.26Å; I800-V804 WeakPolarHBondContact O-CG2 3.31Å; I800-V804 PolarHBondContact O-N 2.9Å; I801-V804 PolarHBondContact O-N 3.26Å; L802-V804 VanDerWaalsContact C-N 3.32Å; L802-V804 PolarHBondContact O-N 3.31Å; V804-V806 PolarHBondContact O-N 2.94Å; V804-K807 PolarHBondContact O-N 2.65Å; V804-K807 VanDerWaalsContact O-N 3.17Å; V804-C808 PolarHBondContact O-N 2.79Å; V804-C808 PolarHBondContact O-SG 2.66Å; V804-C808 VanDerWaalsContact O-SG 3.37Å
805I89Confident83.7Confident92 Ų9292.9 Ų92.947%0.47251%0.508SS..Hα-helixtrans-57.7-50.6178.4-68.7166.5000110.8I801 L802 K807 C808 V809I801-I805 HydrophobicContact CG2-CD1 3.75Å; I801-I805 HydrophobicContact CG2-CG1 4.49Å; I801-I805 WeakPolarHBondContact O-CG1 3.44Å; I801-I805 PolarHBondContact O-N 2.72Å; L802-I805 PolarHBondContact O-N 3.4Å; I805-K807 VanDerWaalsContact C-N 3.3Å; I805-K807 PolarHBondContact O-N 3.15Å; I805-C808 WeakPolarHBondContact O-CB 3.3Å; I805-C808 PolarHBondContact O-N 2.97Å; I805-C808 VanDerWaalsContact O-N 3.1Å; I805-V809 WeakPolarHBondContact O-CG2 3.3Å; I805-V809 PolarHBondContact O-N 3.47Å
806V90.2Very high84.4Confident93 Ų9392.6 Ų92.656%0.56450%0.501SS*.Hα-helixtrans-59.9-39.6178.1171.60000111.3L802 V804 V809 F810L802-V806 WeakPolarHBondContact O-CB 3.42Å; L802-V806 WeakPolarHBondContact O-CG2 3.41Å; L802-V806 PolarHBondContact O-N 3.32Å; V804-V806 PolarHBondContact O-N 2.94Å; V806-V809 PolarHBondContact O-N 2.93Å; V806-F810 WeakPolarHBondContact O-CB 3.44Å; V806-F810 PolarHBondContact O-N 3.17Å
807K87.8Confident84.6Confident139 Ų13989.3 Ų89.360%0.60449%0.492SS*.Hα-helixtrans-67.2-38.9174.5-77.5172.5-175.8173.20112.6T803 V804 I805 F810 I811T803-K807 WeakPolarHBondContact O-CB 3.46Å; T803-K807 WeakPolarHBondContact O-CD 3.34Å; T803-K807 WeakPolarHBondContact O-CG 3.25Å; T803-K807 PolarHBondContact O-N 2.89Å; V804-K807 PolarHBondContact O-N 2.65Å; V804-K807 VanDerWaalsContact O-N 3.17Å; I805-K807 VanDerWaalsContact C-N 3.3Å; I805-K807 PolarHBondContact O-N 3.15Å; K807-F810 PolarHBondContact O-N 3.41Å; K807-I811 VanDerWaalsContact O-CB 3.31Å; K807-I811 WeakPolarHBondContact O-CB 3.14Å; K807-I811 WeakPolarHBondContact O-CD1 3.48Å; K807-I811 WeakPolarHBondContact O-CG1 3.35Å; K807-I811 PolarHBondContact O-N 3.15Å
808C86.9Confident84.8Confident76 Ų7690.2 Ų90.251%0.51450%0.497SS..Hα-helixtrans-63.6-43.1175.7-72.90000111.7V804 I805 I811 S812V804-C808 PolarHBondContact O-N 2.79Å; V804-C808 PolarHBondContact O-SG 2.66Å; V804-C808 VanDerWaalsContact O-SG 3.37Å; I805-C808 WeakPolarHBondContact O-CB 3.3Å; I805-C808 PolarHBondContact O-N 2.97Å; I805-C808 VanDerWaalsContact O-N 3.1Å; C808-I811 PolarHBondContact O-N 2.98Å; C808-S812 PolarHBondContact O-N 2.89Å; C808-S812 PolarHBondContact O-OG 3.12Å
809V90.5Very high85Confident74 Ų7489.3 Ų89.345%0.44850%0.499SS..Hα-helixtrans-65.4-41.9174.2175.70000111.4I805 V806 I811 S812 F813I805-V809 WeakPolarHBondContact O-CG2 3.3Å; I805-V809 PolarHBondContact O-N 3.47Å; V806-V809 PolarHBondContact O-N 2.93Å; V809-I811 VanDerWaalsContact C-N 3.32Å; V809-I811 PolarHBondContact O-N 3.48Å; V809-S812 PolarHBondContact O-N 2.88Å; V809-S812 PolarHBondContact O-OG 2.84Å; V809-F813 HydrophobicContact CG1-CD2 4.04Å; V809-F813 HydrophobicContact CG1-CE2 4.38Å; V809-F813 PolarHBondContact O-N 3.32Å
810F89.7Confident84.3Confident161 Ų16192.8 Ų92.871%0.70651%0.505SS*.Hα-helixtrans-68-33.9177.6-141.2-84.3000112.3V806 K807 A814V806-F810 WeakPolarHBondContact O-CB 3.44Å; V806-F810 PolarHBondContact O-N 3.17Å; K807-F810 PolarHBondContact O-N 3.41Å; F810-A814 WeakPolarHBondContact O-CB 3.03Å; F810-A814 PolarHBondContact O-N 3.1Å
811I90Very high83.5Confident108 Ų10898 Ų9855%0.55452%0.519SS*.Hα-helixtrans-70.8-40.9173.6-71.1165.7000110.7K807 C808 V809 A814 T815K807-I811 VanDerWaalsContact O-CB 3.31Å; K807-I811 WeakPolarHBondContact O-CB 3.14Å; K807-I811 WeakPolarHBondContact O-CD1 3.48Å; K807-I811 WeakPolarHBondContact O-CG1 3.35Å; K807-I811 PolarHBondContact O-N 3.15Å; C808-I811 PolarHBondContact O-N 2.98Å; V809-I811 VanDerWaalsContact C-N 3.32Å; V809-I811 PolarHBondContact O-N 3.48Å; I811-A814 PolarHBondContact O-N 3.33Å; I811-T815 HydrophobicContact CG2-CG2 4.37Å; I811-T815 WeakPolarHBondContact O-CG2 3.32Å; I811-T815 PolarHBondContact O-N 2.94Å; I811-T815 PolarHBondContact O-OG1 3.09Å; I811-T815 VanDerWaalsContact O-OG1 3.11Å
812S84.8Confident82.1Confident50 Ų50103.2 Ų103.235%0.3553%0.534SS..Hα-helixtrans-65.9-43.1176.767.50000111.7C808 V809 A814 T815 L816C808-S812 PolarHBondContact O-N 2.89Å; C808-S812 PolarHBondContact O-OG 3.12Å; V809-S812 PolarHBondContact O-N 2.88Å; V809-S812 PolarHBondContact O-OG 2.84Å; S812-A814 VanDerWaalsContact C-N 3.34Å; S812-A814 PolarHBondContact O-N 3.45Å; S812-T815 PolarHBondContact O-N 3.09Å; S812-T815 PolarHBondContact O-OG1 3.06Å; S812-T815 VanDerWaalsContact O-OG1 3.05Å; S812-L816 VanDerWaalsContact O-CB 3.29Å; S812-L816 WeakPolarHBondContact O-CB 3.46Å; S812-L816 VanDerWaalsContact O-CG 3.25Å; S812-L816 WeakPolarHBondContact O-CG 3.5Å; S812-L816 PolarHBondContact O-N 3.41Å
813F85.7Confident80.4Confident143 Ų143106.2 Ų106.263%0.62754%0.542SS*.Hα-helixtrans-61.9-39.5171.3-96.8-83.6000112.5V809 A817V809-F813 HydrophobicContact CG1-CD2 4.04Å; V809-F813 HydrophobicContact CG1-CE2 4.38Å; V809-F813 PolarHBondContact O-N 3.32Å; F813-A817 WeakPolarHBondContact O-CB 3.34Å; F813-A817 PolarHBondContact O-N 3.16Å
814A85.2Confident78.6Confident48 Ų48107.6 Ų107.640%0.39755%0.551SS.*Hα-helixtrans-68-40.5176.700000112.5F810 I811 S812 A817 V818F810-A814 WeakPolarHBondContact O-CB 3.03Å; F810-A814 PolarHBondContact O-N 3.1Å; I811-A814 PolarHBondContact O-N 3.33Å; S812-A814 VanDerWaalsContact C-N 3.34Å; S812-A814 PolarHBondContact O-N 3.45Å; A814-A817 PolarHBondContact O-N 3.04Å; A814-V818 WeakPolarHBondContact O-CB 3.36Å; A814-V818 VanDerWaalsContact O-CG2 3.28Å; A814-V818 WeakPolarHBondContact O-CG2 3.39Å; A814-V818 PolarHBondContact O-N 2.92Å
815T83.4Confident76.4Confident77 Ų77109 Ų10947%0.47256%0.559SS.*Hα-helixtrans-69.6-41175.653.80000111.4I811 S812 V818 C819I811-T815 HydrophobicContact CG2-CG2 4.37Å; I811-T815 WeakPolarHBondContact O-CG2 3.32Å; I811-T815 PolarHBondContact O-N 2.94Å; I811-T815 PolarHBondContact O-OG1 3.09Å; I811-T815 VanDerWaalsContact O-OG1 3.11Å; S812-T815 PolarHBondContact O-N 3.09Å; S812-T815 PolarHBondContact O-OG1 3.06Å; S812-T815 VanDerWaalsContact O-OG1 3.05Å; T815-V818 PolarHBondContact O-N 2.97Å; T815-C819 WeakPolarHBondContact O-CB 3.35Å; T815-C819 PolarHBondContact O-N 2.8Å; T815-C819 PolarHBondContact O-SG 2.87Å
816L81.8Confident74.1Confident110 Ų110110.1 Ų110.158%0.57657%0.571SS**Hα-helixtrans-57.4-50171-75.8167.8000110.9S812 V818 C819 Y820S812-L816 VanDerWaalsContact O-CB 3.29Å; S812-L816 WeakPolarHBondContact O-CB 3.46Å; S812-L816 VanDerWaalsContact O-CG 3.25Å; S812-L816 WeakPolarHBondContact O-CG 3.5Å; S812-L816 PolarHBondContact O-N 3.41Å; L816-V818 VanDerWaalsContact C-N 3.32Å; L816-V818 PolarHBondContact O-N 2.99Å; L816-C819 PolarHBondContact O-N 3.38Å; L816-Y820 WeakPolarHBondContact O-CB 3.29Å; L816-Y820 PolarHBondContact O-N 3.48Å
817A78.4Confident71.5Confident53 Ų53114 Ų11444%0.43859%0.587SS.*Hα-helixtrans-63.1-33.6178.300000113.4F813 A814 R821F813-A817 WeakPolarHBondContact O-CB 3.34Å; F813-A817 PolarHBondContact O-N 3.16Å; A814-A817 PolarHBondContact O-N 3.04Å; A817-R821 VanDerWaalsContact O-CB 3.29Å; A817-R821 WeakPolarHBondContact O-CB 3.48Å; A817-R821 WeakPolarHBondContact O-CG 3.3Å; A817-R821 PolarHBondContact O-N 2.77Å
818V77.9Confident68.8Low79 Ų79115.6 Ų115.648%0.47959%0.594SS.*Hα-helixtrans-73.7-37.5173.5168.50000111.9A814 T815 L816 R821 R822A814-V818 WeakPolarHBondContact O-CB 3.36Å; A814-V818 VanDerWaalsContact O-CG2 3.28Å; A814-V818 WeakPolarHBondContact O-CG2 3.39Å; A814-V818 PolarHBondContact O-N 2.92Å; T815-V818 PolarHBondContact O-N 2.97Å; L816-V818 VanDerWaalsContact C-N 3.32Å; L816-V818 PolarHBondContact O-N 2.99Å; V818-R821 PolarHBondContact O-N 3.11Å; V818-R822 WeakPolarHBondContact O-CB 3.24Å; V818-R822 WeakPolarHBondContact O-CG 3.25Å; V818-R822 PolarHBondContact O-N 3.18Å
819C76.8Confident66.1Low78 Ų78122 Ų12253%0.52761%0.609SS.*Hα-helixtrans-67.5-42.2174-65.70000111.2T815 L816 R822 K823T815-C819 WeakPolarHBondContact O-CB 3.35Å; T815-C819 PolarHBondContact O-N 2.8Å; T815-C819 PolarHBondContact O-SG 2.87Å; L816-C819 PolarHBondContact O-N 3.38Å; C819-R822 PolarHBondContact O-N 2.77Å; C819-K823 PolarHBondContact O-N 3.04Å
820Y67.1Low63.4Low157 Ų157124.5 Ų124.562%0.61662%0.62SS**Hα-helixtrans-60.1-50.3173-143.5-92.6000110.2L816 R822 K823 T824L816-Y820 WeakPolarHBondContact O-CB 3.29Å; L816-Y820 PolarHBondContact O-N 3.48Å; Y820-R822 VanDerWaalsContact C-N 3.31Å; Y820-R822 PolarHBondContact O-N 3.35Å; Y820-K823 PolarHBondContact O-N 2.95Å; Y820-K823 VanDerWaalsContact O-N 3.12Å; Y820-T824 HydrophobicContact CD1-CG2 4.15Å; Y820-T824 HydrophobicContact CE1-CG2 4.39Å; Y820-T824 WeakPolarHBondContact O-CG2 3.42Å; Y820-T824 PolarHBondContact O-N 3.36Å; Y820-T824 PolarHBondContact O-OG1 3.05Å
821R64Low61Low192 Ų192121.1 Ų121.173%0.72561%0.614SS**Hα-helixtrans-60.4-35.6176.8-83.6-176.6167.2170.9-1.9113.7A817 V818 T824 T825A817-R821 VanDerWaalsContact O-CB 3.29Å; A817-R821 WeakPolarHBondContact O-CB 3.48Å; A817-R821 WeakPolarHBondContact O-CG 3.3Å; A817-R821 PolarHBondContact O-N 2.77Å; V818-R821 PolarHBondContact O-N 3.11Å; R821-T824 WeakPolarHBondContact CA-OG1 3.33Å; R821-T824 PolarHBondContact O-N 2.72Å; R821-T824 PolarHBondContact O-OG1 2.94Å; R821-T825 WeakPolarHBondContact O-CG2 3.26Å; R821-T825 PolarHBondContact O-N 2.89Å; R821-T825 PolarHBondContact O-OG1 3.23Å
822R56.1Low58.7Low190 Ų190122.4 Ų122.472%0.71763%0.629SS**Hα-helixtrans-69.2-39.2173.8-80.2-178.1170.3-177.7-3.1112.5V818 C819 Y820 T824 T825V818-R822 WeakPolarHBondContact O-CB 3.24Å; V818-R822 WeakPolarHBondContact O-CG 3.25Å; V818-R822 PolarHBondContact O-N 3.18Å; C819-R822 PolarHBondContact O-N 2.77Å; Y820-R822 VanDerWaalsContact C-N 3.31Å; Y820-R822 PolarHBondContact O-N 3.35Å; R822-T824 VanDerWaalsContact C-N 3.34Å; R822-T825 PolarHBondContact O-N 3.33Å; R822-T825 PolarHBondContact O-OG1 3.31Å; R822-T825 VanDerWaalsContact O-OG1 3.1Å
823K47.6Very low56.3Low168 Ų168129.8 Ų129.873%0.7365%0.651SS**Hα-helixtrans-64.7-35.1171.4-76.5-164.8172.4-167.70112.2C819 Y820 T825C819-K823 PolarHBondContact O-N 3.04Å; Y820-K823 PolarHBondContact O-N 2.95Å; Y820-K823 VanDerWaalsContact O-N 3.12Å; K823-T825 VanDerWaalsContact C-N 3.32Å; K823-T825 PolarHBondContact O-N 3.2Å
824T48Very low53.9Low94 Ų94127.2 Ų127.258%0.57765%0.651SS**THydrogen-bonded Turntrans-79.1-217958.90000115.5Y820 R821 R822Y820-T824 HydrophobicContact CD1-CG2 4.15Å; Y820-T824 HydrophobicContact CE1-CG2 4.39Å; Y820-T824 WeakPolarHBondContact O-CG2 3.42Å; Y820-T824 PolarHBondContact O-N 3.36Å; Y820-T824 PolarHBondContact O-OG1 3.05Å; R821-T824 WeakPolarHBondContact CA-OG1 3.33Å; R821-T824 PolarHBondContact O-N 2.72Å; R821-T824 PolarHBondContact O-OG1 2.94Å; R822-T824 VanDerWaalsContact C-N 3.34Å
825T43.2Very low51.3Low107 Ų107135 Ų13566%0.65668%0.676SS**THydrogen-bonded Turntrans-103.89.9-179.147.90000115R821 R822 K823R821-T825 WeakPolarHBondContact O-CG2 3.26Å; R821-T825 PolarHBondContact O-N 2.89Å; R821-T825 PolarHBondContact O-OG1 3.23Å; R822-T825 PolarHBondContact O-N 3.33Å; R822-T825 PolarHBondContact O-OG1 3.31Å; R822-T825 VanDerWaalsContact O-OG1 3.1Å; K823-T825 VanDerWaalsContact C-N 3.32Å; K823-T825 PolarHBondContact O-N 3.2Å
826T40.3Very low49Very low115 Ų115139.7 Ų139.771%0.70669%0.69SS**SBendtrans-144.153-17945.90000114.3
827L37.5Very low46.7Very low174 Ų174140.4 Ų140.491%0.91170%0.701SS**  trans-150.5134.5157.8-112.3158.8000110.2
828K29.8Very low44.5Very low174 Ų174146 Ų14676%0.75772%0.722SS**  trans-94.8132.4-171.1-163.1-175.8179-160.60109.2D830K828-D830 PolarHBondContact O-N 3.1Å
829Y29.9Very low42.5Very low211 Ų211146.8 Ų146.883%0.82774%0.736SS**  trans-79.7104.6-178.8-175.1-86.6000110.4P831Y829-P831 HydrophobicContact CE1-CB 4.47Å
830D33.5Very low40.6Very low125 Ų125153 Ų15367%0.66876%0.755SS**  trans-117.9121.9171.4-78.5-55.5000109.2K828K828-D830 PolarHBondContact O-N 3.1Å
831P40.9Very low38.8Very low91 Ų91150.7 Ų150.759%0.59176%0.761SS**  trans-84.7139.1-171.331.7-34.9000113.5Y829 Y833Y829-P831 HydrophobicContact CE1-CB 4.47Å; P831-Y833 PolarHBondContact O-N 2.97Å
832P40.6Very low37.6Very low134 Ų134153 Ų15387%0.8777%0.771SS**  trans-76.186.6-177.130.2-35.1000113.8
833Y35.9Very low36.5Very low205 Ų205147.5 Ų147.580%0.80477%0.774SS**  trans47.596.3138.8-139.3-89.4000119.6P831P831-Y833 PolarHBondContact O-N 2.97Å
834S33.8Very low35.8Very low89 Ų89143.5 Ų143.562%0.62278%0.781SS**  trans-69.6129.7162.964.90000111.4K836S834-K836 PolarHBondContact O-N 2.92Å; S834-K836 VanDerWaalsContact O-N 3.1Å
835K31.3Very low35.1Very low211 Ų211144.1 Ų144.192%0.91780%0.795SS**  trans-62.6109.8173.6-70.7176.8-178.91700110.9
836K34.6Very low34.7Very low177 Ų177143.5 Ų143.577%0.7780%0.801SS**  trans-124.7149.7165.3-77-174.4178.4177.70110S834S834-K836 PolarHBondContact O-N 2.92Å; S834-K836 VanDerWaalsContact O-N 3.1Å
837P32.9Very low34.3Very low125 Ų125144.4 Ų144.481%0.81281%0.807SS**  trans-75.3156-162.329.3-36.2000114.2A839P837-A839 PolarHBondContact O-N 3.22Å
838I32.5Very low34.2Very low171 Ų171140.6 Ų140.688%0.87780%0.8SS**  trans-64.2127-178.9-63165.5000111.1
839A35.6Very low34.6Very low95 Ų95137.7 Ų137.779%0.78580%0.799SS**  trans-129.2138.916300000109.2P837P837-A839 PolarHBondContact O-N 3.22Å
840K36.9Very low34.8Very low209 Ų209133.9 Ų133.991%0.90979%0.793SS**  trans-82.7141.1-177.5-69-177176.2-177.70111.1
841S31Very low35Very low107 Ų107134.9 Ų134.975%0.74879%0.793SS**  trans-86.3140.3175.5-177.70000112
842Y38.2Very low34.7Very low240 Ų240137.7 Ų137.794%0.94180%0.798SS**  trans-147.2139.5143-115.9-85000107.9
843G32.4Very low34.6Very low75 Ų75135.1 Ų135.177%0.77378%0.784SS**  trans-93.1163.6-162.500000116.5
844G33.7Very low34.8Very low85 Ų85132 Ų13288%0.87679%0.786SS**  trans-167.3143.9169.300000109.5
845A32.4Very low34.9Very low107 Ų107135.6 Ų135.688%0.88479%0.793SS**  trans-116.3145.6-170.400000112.8
846A35.1Very low35.1Very low94 Ų94132.5 Ų132.578%0.77778%0.782SS**  trans178.4112.714500000113.8
847T32.8Very low35.2Very low134 Ų134129.7 Ų129.782%0.82278%0.779SS**  trans18.7115.5140.455.90000122.9
848A34.4Very low35.3Very low94 Ų94127.4 Ų127.478%0.77777%0.766SS**  67.9176.6129.500000119.5
849P39.3Very low35.5Very low112 Ų112127 Ų12773%0.72776%0.764SS**  -134.2-173.1-73.541.8-27.4000115.2
850N32.9Very low35.4Very low132 Ų132129.6 Ų129.671%0.70677%0.765SS**  trans95.6136147.3-9512.6000123.6
851H37.4Very low35.3Very low145 Ų145123 Ų12367%0.67176%0.757SS**  trans91.9114.7142.9-75-52.9000124.3
852H36.2Very low35.4Very low150 Ų150123.1 Ų123.169%0.69476%0.758SS**  93.199.6129.8-85.5-59.4000123.2
853S37.8Very low35Very low81 Ų81117 Ų11757%0.56675%0.75SS**  57.6144.3117.660.10000119.8
854V40.4Very low34.8Very low139 Ų139122.3 Ų122.384%0.84275%0.752SS**  -137150.261.3176.20000114.3
855E34.9Very low34.4Very low164 Ų164125 Ų12577%0.76675%0.746SS**  trans-87.6-172.5179.4-53.5119.7120.800113.7
856E35.1Very low34.2Very low147 Ų147125.6 Ų125.669%0.68774%0.738SS**  cis-129.7-135.7-12.9-149.3-15516400108.3S858E856-S858 WeakPolarHBondContact OE1-CB 3.4Å; E856-S858 PolarHBondContact OE1-OG 2.89Å
857V38.2Very low33.7Very low118 Ų118131.7 Ų131.772%0.71574%0.742SS**  cis-140.7127.21.7-161.80000104.5
858S34.2Very low33.4Very low76 Ų76129.4 Ų129.453%0.53174%0.737SS.*  54.1141.677.5-90.60000115.6E856E856-S858 WeakPolarHBondContact OE1-CB 3.4Å; E856-S858 PolarHBondContact OE1-OG 2.89Å
859L37.5Very low33Very low162 Ų162131.8 Ų131.885%0.84874%0.736SS**  cis-145.3161.930.1-131.7131.9000114
860D33.1Very low32.5Very low150 Ų150135 Ų13580%0.80274%0.742SS**  trans-92.6167-179-151.4-26.5000112.8
861G35.4Very low32.3Very low71 Ų71135 Ų13573%0.73275%0.746SS**  trans-169.6119.5-178.500000116.4
862S31.5Very low32Very low110 Ų110131.4 Ų131.477%0.76975%0.749SS**  trans-118162-172.6-81.20000115.2
863S30Very low31.8Very low112 Ų112133.3 Ų133.378%0.78376%0.756SS**  trans79.7113.6153.8-69.30000121.9
864K28.2Very low31.6Very low185 Ų185138.5 Ų138.580%0.80476%0.763SS**  67.5137.1116.2-137.6-168.5-174.8178.70120.5
865L26.3Very low31.4Very low143 Ų143136.8 Ų136.875%0.74975%0.749SS**  trans91.8124.9156-59.5172.3000120.8
866V27.6Very low31.6Very low119 Ų119138.3 Ų138.372%0.72175%0.753SS**  82.8115.6127169.30000121.8
867Y24.9Very low31.5Very low221 Ų221134.8 Ų134.887%0.86776%0.756SS**  trans61.8131.1142.9-87.3-117.6000124.1
868A26.4Very low31.5Very low86 Ų86137.3 Ų137.371%0.71176%0.764SS**  79.4136.4128.800000123.6
869N25.8Very low31.5Very low144 Ų144142.9 Ų142.977%0.7778%0.781SS**  trans-1.9123.8149.4-67.3-12.3000118.9
870Q29.6Very low31.3Very low181 Ų181139 Ų13985%0.84678%0.78SS**  -171.6123.2107-102.7152.5102.600116.1
871T28.3Very low31.2Very low130 Ų130143 Ų14380%0.79878%0.784SS**  trans5.9128.1140.155.20000121.6
872G30.3Very low30.8Very low71 Ų71148.7 Ų148.773%0.73278%0.784SS**  106.9123.8100.900000120.5
873F33.5Very low30.7Very low189 Ų189152.2 Ų152.283%0.82978%0.781SS**  trans-145.4106.9158.3-123.4-104.1000107.2
874R33.4Very low30.6Very low190 Ų190152.2 Ų152.272%0.71778%0.777SS**  79.8138.280.3-72-178.779.2143.612.2113.2
875D36.1Very low30.6Very low103 Ų103149 Ų14955%0.55177%0.773SS**  cis-153.9161.413.2-141.5-39.6000115.1
876K38.7Very low30.5Very low196 Ų196148.4 Ų148.485%0.85278%0.779SS**  trans73.3131.8175.1-45.9158.4-165.2167.90116.7
877G33.2Very low30.5Very low73 Ų73145.4 Ų145.475%0.75377%0.772SS**  cis116.784.2-29.200000118.9
878I38.1Very low30.7Very low172 Ų172143.2 Ų143.288%0.88277%0.77SS**  trans-136.5154.8156.1-90.6173.8000109.4
879H34.2Very low30.7Very low192 Ų192146.1 Ų146.189%0.88977%0.773SS**  trans-111.1165.1-167.5-55.3-29.4000114.9
880G31.9Very low30.9Very low80 Ų80145 Ų14583%0.82577%0.767SS**  trans-176.589.7165.500000118.2
881R31.4Very low30.8Very low236 Ų236143.4 Ų143.489%0.89176%0.76SS**  trans-38.7133.4175.9-78173.2165.1-175.7-3.9119.9
882R27.3Very low30.8Very low190 Ų190141.3 Ų141.372%0.71775%0.751SS**  34.1114.6108.4-173.4-149.1-70.2-166.6-2.4119.4
883Y30.4Very low30.7Very low183 Ų183146.1 Ų146.172%0.71875%0.754SS**  165.3121.5123-100.5-74.8000113.4
884T28Very low30.5Very low112 Ų112140.9 Ų140.969%0.68775%0.746SS**  trans29.5164.3138.6630000125.7
885T27.3Very low30.4Very low119 Ų119138.7 Ų138.773%0.7374%0.743SS**  trans79.1112.4156.653.20000120.5
886C24Very low30.1Very low130 Ų130142.1 Ų142.188%0.87875%0.753SS**  37.7149.8118.3-470000122.1
887G27.8Very low29.8Very low56 Ų56135.9 Ų135.958%0.57775%0.745SS**  trans115.8101.3-177.500000108.1
888E28.2Very low29.8Very low174 Ų174140.5 Ų140.581%0.81375%0.751SS**  67.7125.768.5-63.5168.9120.800111.7
889D27.9Very low29.4Very low147 Ų147139.5 Ų139.579%0.78675%0.746SS**  trans61.8136.3132.6-61.56.5000118.9
890D29.7Very low29.2Very low120 Ų120139.1 Ų139.164%0.64274%0.742SS**  cis-165.4-167.6-0.5-163.6-6.8000107.7
891Q28Very low29Very low148 Ų148143.3 Ų143.369%0.69274%0.738SS**  trans54.2102141.7-79.9163.260.900118.1
892S27Very low28.9Very low87 Ų87138.5 Ų138.561%0.60873%0.725SS**  107.4-177.774.973.60000111.9
893H28.8Very low29Very low171 Ų171132.2 Ų132.279%0.79272%0.719SS**  trans65.8109-178.3-68.2-70.4000115.1
894A30Very low29.1Very low80 Ų80133.6 Ų133.666%0.66173%0.725SS**  8214467.700000111.5
895E29.5Very low29Very low143 Ų143131.9 Ų131.967%0.66873%0.729SS**  cis-165.5172.45.5-131-177.2147.100109.9
896K31.4Very low29.2Very low175 Ų175134.5 Ų134.576%0.76174%0.738SS**  trans52.6124.1151.1-66156.4178.5144.70118.6
897G30.6Very low29.5Very low66 Ų66134.3 Ų134.368%0.6873%0.732SS**  cis151.4-163.53.600000111.9
898I34.8Very low29.6Very low169 Ų169140.4 Ų140.487%0.86775%0.745SS**  trans67.296.4177-47.5176.8000112.4
899L28.7Very low29.7Very low151 Ų151134.9 Ų134.979%0.79174%0.735SS**  cis71.779.328.5-162.4131.4000115.7
900K30.8Very low29.7Very low185 Ų185135.6 Ų135.680%0.80473%0.734SS**  trans-175.1130.8133.5-99.4158.2-175.5178.10107.8
901K28.2Very low29.6Very low167 Ų167136.8 Ų136.873%0.72674%0.735SS**  cis74.8133.131.8-159.7-173.4176.3177.50113.4
902H29.3Very low29.6Very low136 Ų136136.3 Ų136.363%0.6374%0.737SS**  trans74.8136-173.6-50.9-86.5000113.7
903G28.9Very low29.7Very low57 Ų57139.4 Ų139.459%0.58874%0.739SS**  cis137.6169.3-3.300000112.3
904Y31.2Very low29.9Very low213 Ų213136.8 Ų136.884%0.83573%0.731SS**  trans65.3121.7-173.8-41.1-77.4000112
905G26.3Very low30.1Very low76 Ų76139.4 Ų139.478%0.78473%0.727SS**  cis90.494.913.300000110.2
906L31.7Very low30.3Very low174 Ų174142.3 Ų142.391%0.91173%0.732SS**  trans-141.9114.6174.2-119.6165.1000108.3
907V30Very low30.5Very low126 Ų126137 Ų13776%0.76473%0.727SS**  trans-87141.9175.2173.90000108.6
908H31.5Very low30.4Very low184 Ų184140.5 Ų140.585%0.85273%0.731SS**  trans146.3147.9160.7-83-68.3000107.5
909G28.4Very low30.6Very low58 Ų58139.2 Ų139.260%0.59873%0.726SS**  cis141.8123.6-1.600000111
910E28.1Very low30.6Very low161 Ų161138 Ų13875%0.75272%0.72SS**  trans66.3128.1159.2-64.9-162.784.700121.4
911Q27.9Very low30.7Very low146 Ų146137.2 Ų137.268%0.68272%0.719SS**  71.6149.1129.1-71.6-163.953.900123
912L29.1Very low30.8Very low137 Ų137133.5 Ų133.572%0.71771%0.714SS**  trans60.8122157.5-62.5156000117.7
913K28Very low31.1Very low153 Ų153133.2 Ų133.267%0.66572%0.717SS**  cis77.9102.142.4-175.5-117174.9-142.40114.1
914D34.4Very low31.4Very low115 Ų115136.3 Ų136.362%0.61572%0.72SS**  trans163.4165.9139.9-89.9-20.3000108
915K32.4Very low31.4Very low135 Ų135132.5 Ų132.559%0.58771%0.714SS**  cis174.8176.5-29.6178.9179.9172-136.40105.1
916W35.1Very low31.7Very low204 Ų204136 Ų13677%0.77371%0.71SS**  trans84.3134.5162.7-45.492.8000115
917G34.6Very low31.7Very low63 Ų63133.8 Ų133.865%0.64970%0.698SS**  cis-164.8-170.10.200000114.7
918D30.1Very low32Very low141 Ų141134 Ų13475%0.75469%0.694SS**  trans-54.5164.5-180-52.6-91.8000113
919D37Very low32.1Very low142 Ų142129.9 Ų129.976%0.75968%0.682SS**  -157171.568.3-125.1-46.7000117.9
920N29.7Very low32.5Very low125 Ų125133.5 Ų133.567%0.66868%0.683SS**  trans-60.1169.5171.7-57.1-92.8000111.8
921Q33.2Very low32.8Very low168 Ų168130.5 Ų130.579%0.78567%0.672SS**  cis-146145.532.7-101.3116.234.600108.6
922S30Very low33.2Very low90 Ų90125.2 Ų125.263%0.62966%0.656SS**  69.515974.595.70000115.7
923D36Very low33.4Very low129 Ų129123.8 Ų123.869%0.6965%0.654SS**  trans73.8141.6172.1-61.940000116.3
924N34Very low33.8Very low122 Ų122124.1 Ų124.165%0.65266%0.662SS**  cis-156137.6-12.1-106.4-27.6000109.1
925L31.9Very low33.7Very low134 Ų134122.3 Ų122.370%0.70266%0.663SS**  73.897.594.9-15565.1000112.9
926E32.8Very low33.7Very low149 Ų149121.1 Ų121.170%0.69667%0.671SS**  102.5142.6101.8-160.6178.2-147.700109.9
927L32.4Very low33.5Very low128 Ų128117.3 Ų117.367%0.6767%0.671SS**  -170.113869.2-117.794.9000112.6
928I34.6Very low33.5Very low131 Ų131119.8 Ų119.867%0.67268%0.679SS**  58.3137.4125.1-66.8-168.9000121
929T35.2Very low33.5Very low97 Ų97116.4 Ų116.460%0.59568%0.677SS**  cis-168.8145-9.333.40000113.8
930Q36.4Very low33.3Very low134 Ų134113.7 Ų113.763%0.62668%0.683SS**  trans65.8139.9130.6-68.6179.2-104.900127.4E1007Q930-E1007 WeakPolarHBondContact CA-OE2 3.12Å
931D34.4Very low33.4Very low97 Ų97112 Ų11252%0.51969%0.686SS.*  trans66.8143.6137.6-71.3-49000121.5A1006 E1007D931-A1006 WeakPolarHBondContact O-CB 3.31Å; D931-E1007 PolarHBondContact N-OE2 3.46Å
932G35.1Very low33.5Very low35 Ų35108.9 Ų108.936%0.36169%0.689SS.*  cis165.9153.6-11.300000117.1
933T35.3Very low33.6Very low107 Ų107109.1 Ų109.166%0.65670%0.696SS**  trans84124.2147.865.40000125.8
934L34.7Very low33.7Very low160 Ų160105.7 Ų105.784%0.83868%0.683SS**  87.1111.2126.8-73.1168.7000125.7
935A33.7Very low34.1Very low77 Ų77107 Ų10764%0.63669%0.685SS**  100.3117.8110.300000124.7
936S31.4Very low34.5Very low110 Ų110105.9 Ų105.977%0.76968%0.683SS**  trans69.2157.6139.974.20000119
937T32.2Very low35Very low124 Ų124104.4 Ų104.476%0.76168%0.676SS**  cis-155.1164.410.2-27.70000110.7
938S33.4Very low35.5Very low116 Ų116106.2 Ų106.281%0.81167%0.674SS**  trans40.7139.3149.1-158.50000121.5
939G31.2Very low36.2Very low69 Ų69103.8 Ų103.871%0.71167%0.666SS**  cis136.7111.81.700000113.1
940G31.2Very low36.5Very low86 Ų86105.1 Ų105.189%0.88767%0.668SS**  trans85.498.7157.300000119.2
941A32.5Very low36.9Very low89 Ų89105.9 Ų105.974%0.73667%0.67SS**  trans-157.973.8160.600000113
942A34.3Very low37.3Very low102 Ų102105.1 Ų105.184%0.84367%0.672SS**  trans-68.9156.6163.500000110.5
943A33.5Very low37.5Very low96 Ų96108.5 Ų108.579%0.79368%0.681SS**SBendtrans68.141175.900000117.6
944S38.6Very low38Very low57 Ų57111 Ų11140%0.39969%0.691SS.*SBendtrans-140.43159.9-150.20000115.1R948S944-R948 PolarHBondContact O-NH1 3.45Å; S944-R948 PolarHBondContact OG-NH1 3.27Å
945E40.6Very low38.4Very low149 Ų149105.3 Ų105.370%0.69667%0.671SS**SBendtrans-98-39.8-172-160.8154.7-150.400112.6E947 R948 T949E945-E947 VanDerWaalsContact C-N 3.26Å; E945-E947 PolarHBondContact O-N 2.88Å; E945-R948 PolarHBondContact O-N 3.49Å; E945-T949 PolarHBondContact O-N 3.3Å; E945-T949 VanDerWaalsContact O-N 3.09Å; E945-T949 PolarHBondContact O-OG1 2.89Å
946V42.2Very low38.8Very low110 Ų110109.1 Ų109.167%0.66767%0.67SS**Hα-helixtrans-56.6-38.5175.6176.70000112.1R948 L950V946-R948 VanDerWaalsContact C-N 3.29Å; V946-R948 PolarHBondContact O-N 3.43Å; V946-L950 HydrophobicContact CG1-CD1 3.97Å; V946-L950 WeakPolarHBondContact O-CB 3.45Å; V946-L950 PolarHBondContact O-N 3.36Å
947E42Very low39.6Very low119 Ų119110.9 Ų110.956%0.55667%0.665SS**Hα-helixtrans-74.8-15.3-179.7-147.4-148.9135.200113.8E945 K951E945-E947 VanDerWaalsContact C-N 3.26Å; E945-E947 PolarHBondContact O-N 2.88Å; E947-K951 WeakPolarHBondContact O-CD 3.18Å; E947-K951 IonicContact OE1-NZ 2.88Å; E947-K951 PolarHBondContact OE1-NZ 3.12Å
948R43.6Very low40.6Very low165 Ų165111.6 Ų111.662%0.62366%0.66SS**Hα-helixtrans-89.5-42.2172.1-73.4-176.9178.778.4-0.2111.4S944 E945 V946 L950 K951 S952S944-R948 PolarHBondContact O-NH1 3.45Å; S944-R948 PolarHBondContact OG-NH1 3.27Å; E945-R948 PolarHBondContact O-N 3.49Å; V946-R948 VanDerWaalsContact C-N 3.29Å; V946-R948 PolarHBondContact O-N 3.43Å; R948-L950 VanDerWaalsContact C-N 3.29Å; R948-L950 PolarHBondContact O-N 3.06Å; R948-K951 PolarHBondContact O-N 3.05Å; R948-S952 PolarHBondContact O-N 2.93Å
949T48.5Very low41.5Very low81 Ų81111.5 Ų111.550%0.49765%0.65SS.*Hα-helixtrans-65.2-32.2176.5-44.80000112.2E945 K951 S952E945-T949 PolarHBondContact O-N 3.3Å; E945-T949 VanDerWaalsContact O-N 3.09Å; E945-T949 PolarHBondContact O-OG1 2.89Å; T949-K951 VanDerWaalsContact C-N 3.29Å; T949-K951 PolarHBondContact O-N 2.99Å; T949-S952 PolarHBondContact O-OG 2.57Å
950L42.4Very low42.6Very low124 Ų124112.6 Ų112.665%0.64964%0.639SS**THydrogen-bonded Turntrans-74.8-11.5170.8-84.8165.1000114.5V946 R948V946-L950 HydrophobicContact CG1-CD1 3.97Å; V946-L950 WeakPolarHBondContact O-CB 3.45Å; V946-L950 PolarHBondContact O-N 3.36Å; R948-L950 VanDerWaalsContact C-N 3.29Å; R948-L950 PolarHBondContact O-N 3.06Å
951K43.4Very low43.8Very low150 Ų150113.2 Ų113.265%0.65262%0.621SS**THydrogen-bonded Turntrans-98.2-10.6174.2-80.8173177.61630113.8E947 R948 T949E947-K951 WeakPolarHBondContact O-CD 3.18Å; E947-K951 IonicContact OE1-NZ 2.88Å; E947-K951 PolarHBondContact OE1-NZ 3.12Å; R948-K951 PolarHBondContact O-N 3.05Å; T949-K951 VanDerWaalsContact C-N 3.29Å; T949-K951 PolarHBondContact O-N 2.99Å
952S44Very low45.4Very low81 Ų81113.1 Ų113.157%0.56661%0.606SS**SBendtrans-94.5-3.6176.459.70000115.1R948 T949R948-S952 PolarHBondContact O-N 2.93Å; T949-S952 PolarHBondContact O-OG 2.57Å
953L39.7Very low46.4Very low107 Ų107111.2 Ų111.256%0.5659%0.59SS**SBendtrans-96.8-8.2-176.4-90.1161.4000115.4G955 Y956L953-G955 PolarHBondContact O-N 3.13Å; L953-G955 VanDerWaalsContact O-N 3.14Å; L953-Y956 HydrophobicContact CD2-CD2 4.21Å
954N45.7Very low47.4Very low160 Ų160112 Ų11286%0.85658%0.58SS**THydrogen-bonded Turntrans-75.19.3176.1-86.47.3000114.8
955G43.1Very low48.5Very low40 Ų40117.1 Ų117.141%0.41259%0.591SS.*THydrogen-bonded Turntrans-91.7-29.5175.800000114.9L953 H957 E958L953-G955 PolarHBondContact O-N 3.13Å; L953-G955 VanDerWaalsContact O-N 3.14Å; G955-H957 PolarHBondContact O-N 2.9Å; G955-E958 PolarHBondContact O-N 2.89Å
956Y42.4Very low49.5Very low157 Ų157114 Ų11462%0.61658%0.579SS**THydrogen-bonded Turntrans-75.628-165.4-84.9-81000116L953 I960L953-Y956 HydrophobicContact CD2-CD2 4.21Å; Y956-I960 WeakPolarHBondContact O-CD1 3.41Å
957H48.1Very low49.7Very low146 Ų146112.1 Ų112.168%0.67658%0.575SS**THydrogen-bonded Turntrans-124.6-27.4172.1-98.428.1000114.4G955 L961G955-H957 PolarHBondContact O-N 2.9Å; H957-L961 WeakPolarHBondContact O-CB 3.29Å; H957-L961 VanDerWaalsContact O-CG 3.3Å; H957-L961 WeakPolarHBondContact O-CG 3.35Å; H957-L961 PolarHBondContact O-N 2.79Å
958E53.3Low49.9Very low140 Ų140110.2 Ų110.265%0.65458%0.58SS**Hα-helixtrans-73.3-46.4172.7-67.1-59.5146.900110.9G955 I960 L961 E962G955-E958 PolarHBondContact O-N 2.89Å; E958-I960 VanDerWaalsContact C-N 3.25Å; E958-I960 PolarHBondContact O-N 3.21Å; E958-L961 PolarHBondContact O-N 3.45Å; E958-L961 VanDerWaalsContact O-N 3.11Å; E958-E962 WeakPolarHBondContact O-CB 3.2Å; E958-E962 PolarHBondContact O-N 2.96Å
959D52Low50.3Low114 Ų114106.8 Ų106.861%0.6158%0.577SS**Hα-helixtrans-61.4-31.6-178.5-65-26.5000113.2A963D959-A963 WeakPolarHBondContact O-CB 3.45Å; D959-A963 PolarHBondContact O-N 2.92Å
960I54.4Low50.1Low91 Ų91110.8 Ų110.847%0.46759%0.59SS.*Hα-helixtrans-77.8-38.3177.2-62-178.4000110.9Y956 E958 L964Y956-I960 WeakPolarHBondContact O-CD1 3.41Å; E958-I960 VanDerWaalsContact C-N 3.25Å; E958-I960 PolarHBondContact O-N 3.21Å; I960-L964 HydrophobicContact CG2-CD1 4.19Å; I960-L964 WeakPolarHBondContact O-CB 3.35Å; I960-L964 WeakPolarHBondContact O-CG 3.17Å; I960-L964 PolarHBondContact O-N 3.1Å
961L56.1Low49.9Very low99 Ų99116.7 Ų116.752%0.51860%0.603SS.*Hα-helixtrans-66.5-39.5173.3-74.8172.4000111.4H957 E958 L964 R965H957-L961 WeakPolarHBondContact O-CB 3.29Å; H957-L961 VanDerWaalsContact O-CG 3.3Å; H957-L961 WeakPolarHBondContact O-CG 3.35Å; H957-L961 PolarHBondContact O-N 2.79Å; E958-L961 PolarHBondContact O-N 3.45Å; E958-L961 VanDerWaalsContact O-N 3.11Å; L961-L964 PolarHBondContact O-N 3.34Å; L961-R965 VanDerWaalsContact O-CB 3.26Å; L961-R965 WeakPolarHBondContact O-CB 3.4Å; L961-R965 PolarHBondContact O-N 3.34Å
962E65.5Low49.6Very low87 Ų87112.3 Ų112.341%0.40760%0.6SS.*Hα-helixtrans-73-35177.7-166.155.8-154.700111.7E958 R965 N966E958-E962 WeakPolarHBondContact O-CB 3.2Å; E958-E962 PolarHBondContact O-N 2.96Å; E962-R965 PolarHBondContact O-N 2.9Å; E962-R965 WeakPolarHBondContact OE2-CD 3.29Å; E962-R965 IonicContact OE2-NH1 3.54Å; E962-N966 WeakPolarHBondContact O-CB 3.22Å; E962-N966 PolarHBondContact O-N 2.76Å; E962-N966 PolarHBondContact O-ND2 3.33Å; E962-N966 PolarHBondContact OE1-ND2 3.45Å
963A54.5Low49.3Very low63 Ų63115.3 Ų115.352%0.52162%0.616SS.*Hα-helixtrans-63-42.4168.900000112.3D959 N966 A967D959-A963 WeakPolarHBondContact O-CB 3.45Å; D959-A963 PolarHBondContact O-N 2.92Å; A963-N966 PolarHBondContact O-N 2.61Å; A963-A967 WeakPolarHBondContact O-CB 3.46Å; A963-A967 PolarHBondContact O-N 3.49Å
964L56.2Low49.1Very low111 Ų111113 Ų11358%0.58162%0.618SS**Hα-helixtrans-68.5-34.9174.9-75168.3000112.4I960 L961 A967 A968I960-L964 HydrophobicContact CG2-CD1 4.19Å; I960-L964 WeakPolarHBondContact O-CB 3.35Å; I960-L964 WeakPolarHBondContact O-CG 3.17Å; I960-L964 PolarHBondContact O-N 3.1Å; L961-L964 PolarHBondContact O-N 3.34Å; L964-A967 PolarHBondContact O-N 2.91Å; L964-A968 WeakPolarHBondContact O-CB 3.36Å; L964-A968 PolarHBondContact O-N 3.46Å
965R60.7Low48.8Very low166 Ų166110.5 Ų110.563%0.62661%0.609SS**Hα-helixtrans-65.6-42.8175-165.9177.3-126.7141.23111.5L961 E962 A968 T969L961-R965 VanDerWaalsContact O-CB 3.26Å; L961-R965 WeakPolarHBondContact O-CB 3.4Å; L961-R965 PolarHBondContact O-N 3.34Å; E962-R965 PolarHBondContact O-N 2.9Å; E962-R965 WeakPolarHBondContact OE2-CD 3.29Å; E962-R965 IonicContact OE2-NH1 3.54Å; R965-A968 PolarHBondContact O-N 3.45Å; R965-T969 PolarHBondContact O-N 2.91Å
966N62.5Low48.3Very low84 Ų84111.5 Ų111.545%0.44962%0.618SS.*Hα-helixtrans-74.8-24.1175.3-73-67.5000113.3E962 A963 T969E962-N966 WeakPolarHBondContact O-CB 3.22Å; E962-N966 PolarHBondContact O-N 2.76Å; E962-N966 PolarHBondContact O-ND2 3.33Å; E962-N966 PolarHBondContact OE1-ND2 3.45Å; A963-N966 PolarHBondContact O-N 2.61Å; N966-T969 PolarHBondContact O-OG1 2.94Å; N966-T969 VanDerWaalsContact O-OG1 3.08Å
967A45.7Very low47.9Very low70 Ų70111.7 Ų111.758%0.57963%0.63SS**Hα-helixtrans-71.4-31.5167.300000112.6A963 L964A963-A967 WeakPolarHBondContact O-CB 3.46Å; A963-A967 PolarHBondContact O-N 3.49Å; L964-A967 PolarHBondContact O-N 2.91Å
968A45.8Very low47.3Very low79 Ų79111.1 Ų111.165%0.65364%0.637SS**Hα-helixtrans-76.1-27-179.600000114L964 R965 H970L964-A968 WeakPolarHBondContact O-CB 3.36Å; L964-A968 PolarHBondContact O-N 3.46Å; R965-A968 PolarHBondContact O-N 3.45Å; A968-H970 VanDerWaalsContact C-N 3.33Å; A968-H970 PolarHBondContact O-N 2.92Å
969T51.9Low46.3Very low93 Ų93110.3 Ų110.357%0.57164%0.644SS**THydrogen-bonded Turntrans-76.1-12.6-175.845.40000114.9R965 N966R965-T969 PolarHBondContact O-N 2.91Å; N966-T969 PolarHBondContact O-OG1 2.94Å; N966-T969 VanDerWaalsContact O-OG1 3.08Å
970H44.4Very low45.4Very low165 Ų165112.2 Ų112.276%0.76466%0.66SS**THydrogen-bonded Turntrans-100.812.2-171.4-85.6-73.7000116.8A968A968-H970 VanDerWaalsContact C-N 3.33Å; A968-H970 PolarHBondContact O-N 2.92Å
971R38.6Very low44.1Very low248 Ų248111.3 Ų111.394%0.93667%0.673SS**  trans-110.268.1173.6-76.9-170.4169.6-172.6-2.4113.4
972G37Very low42.7Very low57 Ų57112.9 Ų112.959%0.58869%0.692SS**  trans-127.697.1178.800000115.1
973T38.4Very low40.8Very low145 Ų145111.9 Ų111.989%0.8971%0.705SS**  trans67.9147.6169.178.30000117
974G34.9Very low39.4Very low59 Ų59113.9 Ų113.961%0.60872%0.715SS**  trans-176.1-42.8179.900000119.6
975T38.7Very low38.3Very low107 Ų107117.8 Ų117.866%0.65674%0.735SS**  trans51.9101.2171.654.10000119.6R1075T975-R1075 PolarHBondContact OG1-NH1 3.38Å
976G33Very low36.9Very low60 Ų60113.7 Ų113.762%0.61973%0.732SS**  89.1105.9129.600000120.6
977N34.9Very low35.5Very low161 Ų161115.4 Ų115.486%0.86174%0.737SS**  -178.6144.2108.8-91.61.9000111.1
978T34.3Very low34.8Very low134 Ų134119.8 Ų119.882%0.82275%0.746SS**  trans-96.7155.9170.547.40000110.8
979P32.8Very low34.4Very low123 Ų123125 Ų12580%0.79976%0.759SS**  -138.4171.3109.539-28.8000113.9
980V33.8Very low33.6Very low155 Ų155127.9 Ų127.994%0.93977%0.77SS**  trans-81.1137.2171.4177.60000109.3
981G26.3Very low32.9Very low72 Ų72127.3 Ų127.374%0.74276%0.762SS**  trans-167129.1178.800000113.9
982S26.2Very low32.6Very low132 Ų132124.8 Ų124.892%0.92376%0.757SS**  trans-65.7157.3-178.3-42.10000115.1
983G25.9Very low32.6Very low66 Ų66128.4 Ų128.468%0.6877%0.768SS**  trans110.4151.1138.100000118.4
984S26.4Very low32.1Very low104 Ų104129.3 Ų129.373%0.72777%0.767SS**  trans3892.7157.258.40000118.4S986S984-S986 VanDerWaalsContact C-N 3.26Å; S984-S986 PolarHBondContact O-N 3.1Å
985L32.5Very low32Very low193 Ų193134.8 Ų134.8100%1.0178%0.777SS**  trans-8379.1149.7-77.4177.9000109.5
986S31.4Very low31.9Very low80 Ų80137.4 Ų137.456%0.55979%0.787SS**  trans-80.1135.5179.251.20000112.9S984 E988S984-S986 VanDerWaalsContact C-N 3.26Å; S984-S986 PolarHBondContact O-N 3.1Å; S986-E988 VanDerWaalsContact C-N 3.3Å; S986-E988 PolarHBondContact O-N 2.95Å
987E32.6Very low31.8Very low120 Ų120141.4 Ų141.456%0.56180%0.803SS**SBendtrans57.9-4.4137.1-104.6-179.4113.300122.7R991E987-R991 VanDerWaalsContact CD-NH1 3.33Å; E987-R991 IonicContact OE1-CZ 3.99Å; E987-R991 IonicContact OE1-NH1 3.89Å; E987-R991 PolarHBondContact OE1-NH1 2.86Å; E987-R991 IonicContact OE1-NH2 2.73Å; E987-R991 PolarHBondContact OE1-NH2 3.1Å
988E31.9Very low31.7Very low162 Ų162140 Ų14076%0.75780%0.796SS**SBendtrans-88-38.5-176.8-154.666.9-139.600113S986 L990 R991S986-E988 VanDerWaalsContact C-N 3.3Å; S986-E988 PolarHBondContact O-N 2.95Å; E988-L990 VanDerWaalsContact C-N 3.29Å; E988-L990 PolarHBondContact O-N 3.23Å; E988-R991 PolarHBondContact O-N 3.48Å
989M36.3Very low31.6Very low188 Ų188139.9 Ų139.993%0.92679%0.79SS**THydrogen-bonded Turntrans-81.6-8.1-179.6-149166.8-163.800113.7
990L35.2Very low31.6Very low155 Ų155139 Ų13981%0.81279%0.787SS**THydrogen-bonded Turntrans-93.10.2174.6-113160.8000113.1E988E988-L990 VanDerWaalsContact C-N 3.29Å; E988-L990 PolarHBondContact O-N 3.23Å
991R30.9Very low31.4Very low153 Ų153140 Ų14058%0.57778%0.781SS**SBendtrans-110.98-176.2-85.4-156.3175.483.57.3116.6E987 E988E987-R991 VanDerWaalsContact CD-NH1 3.33Å; E987-R991 IonicContact OE1-CZ 3.99Å; E987-R991 IonicContact OE1-NH1 3.89Å; E987-R991 PolarHBondContact OE1-NH1 2.86Å; E987-R991 IonicContact OE1-NH2 2.73Å; E987-R991 PolarHBondContact OE1-NH2 3.1Å; E988-R991 PolarHBondContact O-N 3.48Å
992K32Very low31.8Very low194 Ų194145 Ų14584%0.84379%0.79SS**SBendtrans-112.218.3-179.7-144.4169.9-176.51740116.3
993T35.8Very low32.1Very low134 Ų134142 Ų14282%0.82278%0.779SS**SBendtrans-122.819.9176-32.10000112.3
994L28.6Very low32.5Very low164 Ų164149.9 Ų149.986%0.85979%0.79SS**SBendtrans-142.330.1-173.6-116.1172.6000113.9
995Q33.1Very low32.9Very low174 Ų174149 Ų14981%0.81379%0.785SS**SBendtrans-146.457.3179.2-162.6166.40.200113.5
996D37Very low33Very low162 Ų162142.1 Ų142.187%0.86676%0.755SS**  trans-155.48.4160.3-102.2-29000114.4N998D996-N998 VanDerWaalsContact C-N 3.26Å; D996-N998 PolarHBondContact O-N 3.39Å; D996-N998 VanDerWaalsContact O-N 3.09Å
997C30.3Very low33.2Very low143 Ų143142.4 Ų142.497%0.96675%0.748SS**  trans-85.751.4175.8-730000112.8
998N31.3Very low33.3Very low133 Ų133143 Ų14371%0.71175%0.751SS**  trans-148.5143.4174.6-161.113.6000113.2D996D996-N998 VanDerWaalsContact C-N 3.26Å; D996-N998 PolarHBondContact O-N 3.39Å; D996-N998 VanDerWaalsContact O-N 3.09Å
999N34.3Very low33.4Very low131 Ų131143 Ų14370%0.70174%0.744SS**  trans78.7134.2177.4-54.5-45.4000119.7
1000S32.2Very low33.3Very low103 Ų103142 Ų14272%0.7274%0.735SS**  trans49.9107.8156.546.70000118.5
1001Q30.1Very low33.3Very low177 Ų177144.2 Ų144.283%0.82773%0.733SS**  56.8117.650.6-51.7-175-19.700115.8
1002L33.1Very low33.3Very low177 Ų177143.9 Ų143.993%0.92774%0.743SS**  162.9143.3117.4-87.5159.5000112.6
1003G33.1Very low33.3Very low68 Ų68143.1 Ų143.170%0.70175%0.746SS**  trans136.8122.8178.400000112
1004Y33.6Very low33Very low232 Ų232139.9 Ų139.991%0.9174%0.739SS**  trans-151.5156.6-156.6-135.9-92.7000115.7
1005S34.6Very low33.3Very low87 Ų87137.7 Ų137.761%0.60874%0.737SS**  trans100.5125.8144.4-128.50000123.5
1006A36.5Very low33.1Very low47 Ų47139.2 Ų139.239%0.38874%0.741SS.*  trans65.3146.5131.100000122.7D931D931-A1006 WeakPolarHBondContact O-CB 3.31Å
1007E35.6Very low32.7Very low86 Ų86136.4 Ų136.440%0.40273%0.734SS.*  cis-173161.6-10.1-106.7-149.8103.100107.8Q930 D931Q930-E1007 WeakPolarHBondContact CA-OE2 3.12Å; D931-E1007 PolarHBondContact N-OE2 3.46Å
1008Q34.6Very low32.6Very low134 Ų134134.2 Ų134.263%0.62672%0.72SS**  cis-170.1-163.8-18.7-151.7-132.8105.500110.9
1009Y32.4Very low32.8Very low160 Ų160134 Ų13463%0.62773%0.729SS**  trans106.2108.3146.6-118.3-83.8000122.1
1010K35.1Very low32.6Very low169 Ų169137 Ų13774%0.73573%0.731SS**  trans64.4141.1168.6-80.8166.5178.3172.20118.2
1011R35.9Very low32.6Very low200 Ų200141.1 Ų141.176%0.75574%0.739SS**  cis175138-34.9-109.5174.7-168.1-159.84.9106.4
1012N29.1Very low32.6Very low147 Ų147138.1 Ų138.179%0.78673%0.729SS**  cis-159.7129.2-15-134.563.2000109.3
1013I32.6Very low32.7Very low178 Ų178136.9 Ų136.991%0.91372%0.721SS**  trans-140.1141.8169.7-67.5178.4000106.9
1014G30.1Very low32.3Very low65 Ų65140 Ų14067%0.6773%0.731SS**  trans130.2105.516500000117.2
1015S34.7Very low32.2Very low119 Ų119136 Ų13683%0.83273%0.725SS**  trans20.6124.2141.4-48.20000122.1
1016K28.4Very low32.1Very low205 Ų205139.7 Ų139.789%0.89174%0.738SS**  trans-174151.6146.7-98.3150.3-176.81790107.6
1017S29.3Very low31.9Very low104 Ų104142.3 Ų142.373%0.72776%0.76SS**  cis-165.1138.1-3.948.80000113.2
1018S27.2Very low31.6Very low96 Ų96143.1 Ų143.167%0.67178%0.781SS**  48.9107.9124-174.80000121.7
1019S35.5Very low31.4Very low128 Ų128143.1 Ų143.190%0.89579%0.79SS**  trans-137.8119.9142.2-48.80000106.2
1020R30.9Very low31.3Very low194 Ų194143.3 Ų143.373%0.73280%0.796SS**  cis8166.112.4-154.6-165.8172.7162.7-0.1117.5
1021E33.2Very low30.9Very low190 Ų190139.2 Ų139.289%0.88879%0.794SS**  trans-128.6126.6140.1-85.1158.2177.400104.7
1022N30.3Very low30.5Very low115 Ų115137 Ų13762%0.61580%0.796SS**  cis58.198.329.9-83.132.3000113.8
1023I33.7Very low30.4Very low150 Ų150136.7 Ų136.777%0.76979%0.793SS**  -179.7133.4116.5-92.4154.7000109.7D1025I1023-D1025 HydrophobicContact CG2-CB 3.89Å
1024C26.1Very low30.3Very low133 Ų133135.8 Ų135.890%0.89979%0.788SS**  trans-96.4117.6158-60.10000106.9
1025D31.5Very low30.3Very low150 Ų150139.9 Ų139.980%0.80280%0.795SS**  trans-151.1150166.9-121.2-39.5000112.9I1023I1023-D1025 HydrophobicContact CG2-CB 3.89Å
1026N30.9Very low30.1Very low163 Ų163136.9 Ų136.987%0.87278%0.783SS**  trans-99.8116.4-176.9-93.8-38.6000110.7
1027A32.4Very low30.4Very low103 Ų103133.6 Ų133.685%0.85179%0.786SS**  trans-153.5102.8160.900000112
1028A29.7Very low30.7Very low103 Ų103132.7 Ų132.785%0.85179%0.793SS**  trans-89.3135.3156.700000108.7
1029V31.4Very low31.1Very low133 Ų133132.2 Ų132.281%0.80680%0.803SS**  trans-165.7131.7156.71380000110.2
1030H28.8Very low31.1Very low165 Ų165129.4 Ų129.476%0.76480%0.795SS**  trans14.7115.6155.5-61.8-101.6000121.9
1031A26.9Very low31.3Very low83 Ų83129.1 Ų129.169%0.68681%0.806SS**  49.9151.199.800000122.8
1032I27.6Very low31.5Very low153 Ų153124 Ų12479%0.78580%0.804SS**  trans87.1103.1157.9-58.4163.5000118.4
1033I28.3Very low31.8Very low141 Ų141121.9 Ų121.972%0.72381%0.81SS**  34.4114.6126.3-52.2174.6000119.6
1034L29.4Very low32.1Very low158 Ų158124.5 Ų124.583%0.82782%0.821SS**  trans58.2163.2151.9-57.7171000116.8
1035D29.6Very low32.6Very low152 Ų152121.4 Ų121.481%0.81381%0.812SS**  cis-159.9169.322.5-160.94.1000112.9
1036G31Very low32.9Very low56 Ų56123.1 Ų123.158%0.57782%0.82SS**  trans76.4110.4133.700000121.8
1037S35.4Very low33.2Very low136 Ų136118.6 Ų118.695%0.95181%0.812SS**  180136.7119.2-80.40000112.1
1038G35.3Very low33.5Very low84 Ų84119.4 Ų119.487%0.86681%0.812SS**  trans-178.9-44.9177.200000117.1
1039G35.4Very low33.8Very low86 Ų86119.3 Ų119.389%0.88781%0.805SS**  trans93.1145.9175.500000115.6
1040G35Very low34Very low70 Ų70120 Ų12072%0.72281%0.809SS**  trans-176.3-41.3-177.900000119.2
1041L35.9Very low34.4Very low187 Ų187115.4 Ų115.498%0.97981%0.807SS**  trans64.6138.3-175.2-49.4163.6000114.3
1042G35.9Very low34.7Very low82 Ų82116.8 Ų116.885%0.84582%0.818SS**  cis154145.1-3.400000109
1043G37.5Very low35.1Very low71 Ų71113.6 Ų113.673%0.73282%0.823SS**  cis175.2-172.2-4.300000111.6
1044M39.6Very low35.3Very low205 Ų205110.9 Ų110.9100%1.0183%0.829SS**  trans73.5132.4172.8-46.4-175.7-172.300118
1045G37.5Very low35.6Very low69 Ų69106.9 Ų106.971%0.71183%0.827SS**  cis163.2153.1-16.100000116.6
1046L37Very low36Very low185 Ų185104.9 Ų104.997%0.96983%0.825SS**  trans71.6139.5156.2-48.7173.8000119.3
1047G37.9Very low36.2Very low68 Ų68108.4 Ų108.470%0.70184%0.835SS**  cis165.5172.9-11.900000116.2
1048S37.6Very low36.4Very low121 Ų121106.7 Ų106.785%0.84682%0.823SS**  trans80.1147.2150.5-58.60000121.3
1049S37.7Very low36.5Very low100 Ų100110.3 Ų110.370%0.69982%0.819SS**  cis-178.5143.6-11.9510000115.5
1050V35.2Very low36.5Very low148 Ų148111.7 Ų111.790%0.89782%0.815SS**  trans65150144.1174.60000119
1051G36Very low36.5Very low69 Ų69112.3 Ų112.371%0.71182%0.822SS**  cis131.8160.82.100000112.2
1052A34.7Very low36.6Very low111 Ų111106.9 Ų106.992%0.91781%0.811SS**  cis-172.2163.5-10.900000111.8
1053G34.2Very low36.8Very low87 Ų87111.9 Ų111.990%0.89782%0.815SS**  trans92.8167.1171.500000117.2
1054G33.8Very low37.4Very low83 Ų83114.5 Ų114.586%0.85682%0.819SS**  cis159.2126.7-13.300000116.1
1055G34.8Very low37.6Very low75 Ų75108.5 Ų108.577%0.77381%0.81SS**  trans83.3170.9166.800000118.3
1056S38.4Very low37.6Very low110 Ų110115 Ų11577%0.76982%0.821SS**  cis-175.5170.1-12.3-90.30000112.4
1057T35.5Very low37.3Very low130 Ų130109.8 Ų109.880%0.79881%0.812SS**  trans66.8126.7155.438.10000120
1058S38.8Very low37.1Very low99 Ų99109.9 Ų109.969%0.69281%0.813SS**  96.3154.559.9810000112.9
1059M38.7Very low36.7Very low160 Ų160110.7 Ų110.779%0.78881%0.813SS**  cis-153.1147.548.4-57.5-173.276.900111.8
1060S35.3Very low36.3Very low115 Ų115113.6 Ų113.680%0.80482%0.818SS**  65143.487.6-39.60000116.7
1061G35.2Very low36Very low84 Ų84113 Ų11387%0.86681%0.809SS**  cis145.4153.81.300000110.4
1062G38.1Very low35.8Very low73 Ų73117.1 Ų117.175%0.75381%0.809SS**  cis171.3-165.90.200000111.5
1063M39.7Very low35.6Very low186 Ų186118.3 Ų118.392%0.91680%0.795SS**  trans81.9172.4163.1-60-69.7174.900119.6
1064P50.8Low35.6Very low126 Ų126123 Ų12382%0.81879%0.794SS**  -138179.2-77.142.2-24.2000116.3
1065G43.5Very low35.3Very low80 Ų80126 Ų12683%0.82578%0.779SS**  trans-173.7165.9174.200000117.9
1066H36Very low35.2Very low205 Ų205127.4 Ų127.495%0.94978%0.777SS**  trans-129.5146.6-168.9-112.8-85.1000114.2
1067G31.5Very low34.8Very low76 Ų76129.5 Ų129.578%0.78478%0.775SS**  110.3127.7129.500000122.6
1068G33.7Very low34.7Very low70 Ų70132 Ų13272%0.72278%0.777SS**  trans86169.6148.800000119.5
1069T29.1Very low34.2Very low137 Ų137134.9 Ų134.984%0.8478%0.78SS**  cis177.6164.8-49.824.90000109.9
1070M30Very low33.7Very low162 Ų162133 Ų13380%0.79877%0.772SS**  trans81.1129.2179.9-56.8-81.4-179.100114.5
1071L28.9Very low33.5Very low136 Ų136135.7 Ų135.771%0.71277%0.772SS**  cis83.614445.7-67.1165.2000113
1072H31.9Very low33.3Very low154 Ų154140 Ų14071%0.71377%0.769SS**  cis-150.916520.8-134.2-66.4000113.7
1073H29.3Very low33.1Very low136 Ų136142.9 Ų142.963%0.6378%0.775SS**  trans-56.2161.9163.9-69.6-70.3000113.8
1074H34.5Very low32.5Very low186 Ų186139 Ų13986%0.86177%0.766SS**  -148146.8117.5-123.4-77.5000114.9
1075R27.3Very low31.7Very low145 Ų145139.5 Ų139.555%0.54777%0.767SS.*  trans-130.2134.7178.1159.9178.3165.7168.2-8.4108.6T975T975-R1075 PolarHBondContact OG1-NH1 3.38Å
1076S33.2Very low30.9Very low106 Ų106142.2 Ų142.274%0.74177%0.767SS**  trans-172.6124.2161.3-91.40000105.9
1077Q29.6Very low30.7Very low153 Ų153136.9 Ų136.972%0.71576%0.759SS**  50.2108.456.4-73.6-167.5-20.500114
1078H33.6Very low30.8Very low182 Ų182140 Ų14084%0.84376%0.757SS**  -155.2153.4125.7-120-85.1000111.4
1079Q28.2Very low30.5Very low160 Ų160144.5 Ų144.575%0.74876%0.759SS**  trans-83.5167.2169.6-54.1152.9-13.500108.1
1080L27.6Very low30.7Very low120 Ų120143.6 Ų143.663%0.62876%0.755SS**  -174.9170.961.9-94.6114.2000111.7
1081H31.9Very low30.5Very low173 Ų173142.6 Ų142.680%0.80175%0.748SS**  trans76.6122.9151.6-66.2-34000122.6
1082Q30.8Very low30.7Very low174 Ų174145.4 Ų145.481%0.81376%0.758SS**  trans-73.2166.8149.3-60.6168.3-46.700110.3
1083P33.5Very low30.5Very low134 Ų134144.2 Ų144.287%0.8776%0.756SS**  -143.6-174.896.938.4-23.1000114.7
1084S28Very low30.6Very low103 Ų103144.7 Ų144.772%0.7276%0.764SS**  trans-123.8140.4-168.1-44.50000114.2
1085T32.8Very low30.6Very low138 Ų138143.7 Ų143.785%0.84777%0.765SS**  trans-165.7134.1156.538.40000107.1
1086V28.1Very low30.6Very low137 Ų137145 Ų14583%0.8378%0.782SS**  cis89.887.328-173.90000115.1
1087A32.2Very low30.6Very low93 Ų93147.7 Ų147.777%0.76979%0.789SS**  trans-177.1149.9150.200000107.3
1088L32Very low30.7Very low142 Ų142144.5 Ų144.574%0.74379%0.788SS**  cis154.391-16.6-112.2165.8000106.8
1089Q28.5Very low30.7Very low163 Ų163141.9 Ų141.976%0.76279%0.788SS**  trans57169.6143.9-79.5-178.8-10.600121.3
1090P33Very low30.8Very low118 Ų118139 Ų13977%0.76679%0.785SS**  cis-121.4-175.62.539.4-23000116
1091Q26Very low31Very low141 Ų141139.1 Ų139.166%0.65979%0.791SS**  trans-75.1159.7-171.8-54.1132.7-90.600115.1
1092Q32Very low31.2Very low195 Ų195133.5 Ų133.591%0.91178%0.779SS**  -126.6153.2124.7-75.5-169.8-105.300108.7
1093L29.4Very low31.7Very low130 Ų130129.3 Ų129.368%0.68177%0.767SS**  trans-88.4164.4171.8-60.789000108.2
1094D30.8Very low32.3Very low146 Ų146127.6 Ų127.678%0.78175%0.75SS**  -164.2170.775.7-79.1-39.7000112.8
1095D33.4Very low33.3Very low165 Ų165129.5 Ų129.588%0.88274%0.742SS**  trans66.1111.5170.8-61.9-45000119.6
1096D28.3Very low34.5Very low172 Ų172123.3 Ų123.392%0.9270%0.704SS**  trans-82.6129.6170.1-79.3-85.2000111.5
1097D32Very low35.7Very low163 Ų163124.3 Ų124.387%0.87269%0.692SS**  trans-126120.6164.7-138-24.3000109.2
1098A33.4Very low36.8Very low86 Ų86123 Ų12371%0.71167%0.672SS**  trans-75.1141.8-170.900000111.3S1100A1098-S1100 PolarHBondContact O-N 3.4Å
1099P32.3Very low38.1Very low127 Ų127119.6 Ų119.683%0.82566%0.655SS**  trans-67.2106.4-175.726.8-34.5000111.4T1101P1099-T1101 PolarHBondContact O-N 3.37Å
1100S29.9Very low39.8Very low100 Ų100117.8 Ų117.870%0.69965%0.646SS**  trans-48.5130.2173.5178.40000111.6A1098 G1102A1098-S1100 PolarHBondContact O-N 3.4Å; S1100-G1102 PolarHBondContact O-N 2.88Å
1101T32.3Very low41.3Very low122 Ų122114.4 Ų114.475%0.74862%0.622SS**  trans-69.792.3-177.840.60000111.1P1099P1099-T1101 PolarHBondContact O-N 3.37Å
1102G36Very low43Very low54 Ų54108.1 Ų108.156%0.55759%0.592SS**PPolyproline II helixtrans-59.3158.2175.300000113.5S1100 L1104S1100-G1102 PolarHBondContact O-N 2.88Å; G1102-L1104 PolarHBondContact O-N 3.38Å
1103P42Very low44.5Very low87 Ų87102.5 Ų102.557%0.56557%0.568SS**PPolyproline II helixtrans-62.1127.4-169.224.4-34.9000112.7R1105P1103-R1105 PolarHBondContact O-N 3.2Å; P1103-R1105 VanDerWaalsContact O-N 3.16Å
1104L45.3Very low46.1Very low98 Ų98103.6 Ų103.651%0.51356%0.563SS.*PPolyproline II helixtrans-54.6116.6178.3-70.9154.1000110.6G1102 I1106 Q1115G1102-L1104 PolarHBondContact O-N 3.38Å; L1104-I1106 HydrophobicContact CB-CD1 4.07Å; L1104-Q1115 HydrophobicContact CD2-CB 4.48Å
1105R48.5Very low47.4Very low143 Ų14399.5 Ų99.554%0.5454%0.539SS..  trans-103.2103.8170.4-80.8-176.9171.6156.2-1.8108.7P1103P1103-R1105 PolarHBondContact O-N 3.2Å; P1103-R1105 VanDerWaalsContact O-N 3.16Å
1106I59.4Low48.5Very low8 Ų893 Ų934%0.04150%0.504CS..BIsolated β-bridgetrans-96.2140.1178.4-58.9117.7000109.1Y65 L1104 N1108 D1111 L1112Y65-I1106 HydrophobicContact CE1-CB 4.36Å; Y65-I1106 HydrophobicContact CE1-CG2 4.01Å; Y65-I1106 VanDerWaalsContact OH-CG2 3.32Å; Y65-I1106 WeakPolarHBondContact OH-CG2 3.24Å; L1104-I1106 HydrophobicContact CB-CD1 4.07Å; I1106-N1108 WeakPolarHBondContact CG2-O 3.4Å; I1106-D1111 HydrophobicContact CG2-CB 4.16Å; I1106-L1112 HydrophobicContact CB-CD1 4.5Å; I1106-L1112 HydrophobicContact CD1-CD1 3.65Å; I1106-L1112 HydrophobicContact CG1-CD1 3.79Å; I1106-L1112 HydrophobicContact CG2-CB 3.85Å; I1106-L1112 HydrophobicContact CG2-CD1 4.17Å
1107R52.5Low49.6Very low158 Ų15890.7 Ų90.760%0.59649%0.488SS*.  trans-109.2-20.8178.1-65.2-176.3175.9124.3-3.9114.7Y64Y64-R1107 HydrophobicContact CE1-CG 3.97Å
1108N56.7Low50.5Low65 Ų6589.4 Ų89.435%0.34848%0.476SS..SBendtrans-158.5176.4178.164.120000109.9I1106 E1110 D1111 L1112I1106-N1108 WeakPolarHBondContact CG2-O 3.4Å; N1108-E1110 VanDerWaalsContact C-N 3.26Å; N1108-E1110 PolarHBondContact O-N 2.85Å; N1108-E1110 PolarHBondContact OD1-N 2.86Å; N1108-E1110 VanDerWaalsContact OD1-N 3.14Å; N1108-D1111 WeakPolarHBondContact OD1-CB 3.5Å; N1108-D1111 PolarHBondContact OD1-N 3.4Å; N1108-L1112 PolarHBondContact O-N 2.83Å
1109L59.3Low51.2Low71 Ų7190.1 Ų90.137%0.37247%0.465SS..Hα-helixtrans-66.9-25.1179.4-174.762000113.2V57 L1112 I1113V57-L1109 HydrophobicContact CG1-CD1 4.21Å; L1109-L1112 HydrophobicContact CD1-CD2 4.05Å; L1109-L1112 WeakPolarHBondContact O-CB 3.28Å; L1109-L1112 PolarHBondContact O-N 2.95Å; L1109-I1113 HydrophobicContact CD1-CD1 4.45Å; L1109-I1113 HydrophobicContact CG-CD1 4.04Å; L1109-I1113 VanDerWaalsContact O-CG1 3.31Å; L1109-I1113 WeakPolarHBondContact O-CG1 3.25Å; L1109-I1113 PolarHBondContact O-N 3.17Å
1110E62.4Low51.6Low124 Ų12487.3 Ų87.358%0.57945%0.448SS*.Hα-helixtrans-75.6-41.8-179.7-58.4-177.4169.200112.1N1108 L1112 I1113 R1114N1108-E1110 VanDerWaalsContact C-N 3.26Å; N1108-E1110 PolarHBondContact O-N 2.85Å; N1108-E1110 PolarHBondContact OD1-N 2.86Å; N1108-E1110 VanDerWaalsContact OD1-N 3.14Å; E1110-L1112 VanDerWaalsContact C-N 3.26Å; E1110-L1112 PolarHBondContact O-N 3.38Å; E1110-I1113 PolarHBondContact O-N 3.25Å; E1110-R1114 WeakPolarHBondContact O-CB 3.42Å; E1110-R1114 WeakPolarHBondContact O-CD 3.5Å; E1110-R1114 WeakPolarHBondContact O-CG 3.41Å; E1110-R1114 PolarHBondContact O-N 3.05Å
1111D64.5Low52.1Low48 Ų4886.1 Ų86.126%0.25744%0.44SS..Hα-helixtrans-59-40.5170.2-81.8-13.9000110.3I1106 N1108 Q1115I1106-D1111 HydrophobicContact CG2-CB 4.16Å; N1108-D1111 WeakPolarHBondContact OD1-CB 3.5Å; N1108-D1111 PolarHBondContact OD1-N 3.4Å; D1111-Q1115 WeakPolarHBondContact O-CB 3.37Å; D1111-Q1115 WeakPolarHBondContact O-CG 3.33Å; D1111-Q1115 PolarHBondContact O-N 3.13Å
1112L63Low52.4Low8 Ų890 Ų904%0.04244%0.441CS..Hα-helixtrans-59.3-57.3175.4-167.273.4000110.4L47 I1106 N1108 L1109 E1110 R1114 Q1115 L1116L47-L1112 HydrophobicContact CD1-CD2 3.66Å; I1106-L1112 HydrophobicContact CB-CD1 4.5Å; I1106-L1112 HydrophobicContact CD1-CD1 3.65Å; I1106-L1112 HydrophobicContact CG1-CD1 3.79Å; I1106-L1112 HydrophobicContact CG2-CB 3.85Å; I1106-L1112 HydrophobicContact CG2-CD1 4.17Å; N1108-L1112 PolarHBondContact O-N 2.83Å; L1109-L1112 HydrophobicContact CD1-CD2 4.05Å; L1109-L1112 WeakPolarHBondContact O-CB 3.28Å; L1109-L1112 PolarHBondContact O-N 2.95Å; E1110-L1112 VanDerWaalsContact C-N 3.26Å; E1110-L1112 PolarHBondContact O-N 3.38Å; L1112-R1114 VanDerWaalsContact C-N 3.33Å; L1112-R1114 PolarHBondContact O-N 3.11Å; L1112-Q1115 PolarHBondContact O-N 2.85Å; L1112-Q1115 VanDerWaalsContact O-N 3.15Å; L1112-L1116 HydrophobicContact CD1-CD1 4.44Å; L1112-L1116 HydrophobicContact CD2-CD1 4.26Å; L1112-L1116 HydrophobicContact CG-CD1 3.78Å; L1112-L1116 HydrophobicContact CG-CG 4.43Å; L1112-L1116 WeakPolarHBondContact O-CB 3.31Å; L1112-L1116 WeakPolarHBondContact O-CG 3.49Å; L1112-L1116 PolarHBondContact O-N 3.38Å
1113I63.8Low52.5Low78 Ų7894.8 Ų94.840%0.445%0.448SS..Hα-helixtrans-58.5-44.7-177.8-69165.2000110.7L1109 E1110 Q1115 L1116 E1117L1109-I1113 HydrophobicContact CD1-CD1 4.45Å; L1109-I1113 HydrophobicContact CG-CD1 4.04Å; L1109-I1113 VanDerWaalsContact O-CG1 3.31Å; L1109-I1113 WeakPolarHBondContact O-CG1 3.25Å; L1109-I1113 PolarHBondContact O-N 3.17Å; E1110-I1113 PolarHBondContact O-N 3.25Å; I1113-Q1115 PolarHBondContact O-N 2.85Å; I1113-L1116 PolarHBondContact O-N 2.81Å; I1113-E1117 HydrophobicContact CG2-CG 4.21Å; I1113-E1117 WeakPolarHBondContact O-CB 3.37Å; I1113-E1117 VanDerWaalsContact O-CG 3.28Å; I1113-E1117 WeakPolarHBondContact O-CG 3.44Å; I1113-E1117 PolarHBondContact O-N 3.27Å
1114R61.5Low51.9Low152 Ų15298 Ų9857%0.57446%0.458SS*.Hα-helixtrans-63.2-37.2177.7-70.6164.2-178.2-100.33.8113.3E1110 L1112 H1118E1110-R1114 WeakPolarHBondContact O-CB 3.42Å; E1110-R1114 WeakPolarHBondContact O-CD 3.5Å; E1110-R1114 WeakPolarHBondContact O-CG 3.41Å; E1110-R1114 PolarHBondContact O-N 3.05Å; L1112-R1114 VanDerWaalsContact C-N 3.33Å; L1112-R1114 PolarHBondContact O-N 3.11Å; R1114-H1118 WeakPolarHBondContact O-CB 3.3Å; R1114-H1118 PolarHBondContact O-CD2 3.29Å; R1114-H1118 PolarHBondContact O-N 3.31Å; R1114-H1118 VanDerWaalsContact O-N 3.12Å
1115Q58.5Low51.5Low60 Ų6098.9 Ų98.928%0.2847%0.472SS..Hα-helixtrans-72.1-40.1177.9-73.3169.915.700111.3L1104 D1111 L1112 I1113 H1118 H1119L1104-Q1115 HydrophobicContact CD2-CB 4.48Å; D1111-Q1115 WeakPolarHBondContact O-CB 3.37Å; D1111-Q1115 WeakPolarHBondContact O-CG 3.33Å; D1111-Q1115 PolarHBondContact O-N 3.13Å; L1112-Q1115 PolarHBondContact O-N 2.85Å; L1112-Q1115 VanDerWaalsContact O-N 3.15Å; I1113-Q1115 PolarHBondContact O-N 2.85Å; Q1115-H1118 PolarHBondContact O-N 3.12Å; Q1115-H1119 PolarHBondContact O-N 2.82Å; Q1115-H1119 VanDerWaalsContact O-N 3.09Å
1116L57.2Low50.9Low29 Ų2998.2 Ų98.215%0.15249%0.486CS..Hα-helixtrans-64.3-49.9174.9-66.3169.7000111.6V40 E44 L1112 I1113 H1118 H1119 S1120V40-L1116 HydrophobicContact CG1-CD2 3.3Å; E44-L1116 HydrophobicContact CG-CD1 3.89Å; E44-L1116 HydrophobicContact CG-CD2 4.25Å; E44-L1116 HydrophobicContact CG-CG 4.46Å; L1112-L1116 HydrophobicContact CD1-CD1 4.44Å; L1112-L1116 HydrophobicContact CD2-CD1 4.26Å; L1112-L1116 HydrophobicContact CG-CD1 3.78Å; L1112-L1116 HydrophobicContact CG-CG 4.43Å; L1112-L1116 WeakPolarHBondContact O-CB 3.31Å; L1112-L1116 WeakPolarHBondContact O-CG 3.49Å; L1112-L1116 PolarHBondContact O-N 3.38Å; I1113-L1116 PolarHBondContact O-N 2.81Å; L1116-H1118 VanDerWaalsContact C-N 3.29Å; L1116-H1118 PolarHBondContact O-N 2.9Å; L1116-H1119 PolarHBondContact O-N 3.46Å; L1116-H1119 VanDerWaalsContact O-N 3.1Å; L1116-S1120 PolarHBondContact O-N 3.18Å
1117E51.8Low49.7Very low124 Ų124104 Ų10458%0.57953%0.528SS*.Hα-helixtrans-56.7-41.3175.3-74.9175.8160.700111.8I1113 S1120 S1121I1113-E1117 HydrophobicContact CG2-CG 4.21Å; I1113-E1117 WeakPolarHBondContact O-CB 3.37Å; I1113-E1117 VanDerWaalsContact O-CG 3.28Å; I1113-E1117 WeakPolarHBondContact O-CG 3.44Å; I1113-E1117 PolarHBondContact O-N 3.27Å; E1117-S1120 PolarHBondContact O-N 2.94Å; E1117-S1121 WeakPolarHBondContact O-CB 3.44Å; E1117-S1121 PolarHBondContact O-N 2.95Å; E1117-S1121 PolarHBondContact O-OG 3.31Å
1118H50.6Low48.8Very low135 Ų135100.2 Ų100.263%0.62554%0.537SS*.Hα-helixtrans-68-34.1176.3-89.1-44.3000113.9R1114 Q1115 L1116 S1121R1114-H1118 WeakPolarHBondContact O-CB 3.3Å; R1114-H1118 PolarHBondContact O-CD2 3.29Å; R1114-H1118 PolarHBondContact O-N 3.31Å; R1114-H1118 VanDerWaalsContact O-N 3.12Å; Q1115-H1118 PolarHBondContact O-N 3.12Å; L1116-H1118 VanDerWaalsContact C-N 3.29Å; L1116-H1118 PolarHBondContact O-N 2.9Å; H1118-S1121 PolarHBondContact O-OG 2.86Å
1119H47.8Very low47.9Very low101 Ų101101.9 Ų101.947%0.46855%0.554SS.*Hα-helixtrans-70.6-47.4171.7-90.9-100.1000111.5Q1115 L1116 S1121 R1122Q1115-H1119 PolarHBondContact O-N 2.82Å; Q1115-H1119 VanDerWaalsContact O-N 3.09Å; L1116-H1119 PolarHBondContact O-N 3.46Å; L1116-H1119 VanDerWaalsContact O-N 3.1Å; H1119-S1121 PolarHBondContact O-N 2.79Å; H1119-R1122 PolarHBondContact O-N 3.48Å; H1119-R1122 VanDerWaalsContact O-N 3.11Å
1120S40.1Very low46.9Very low69 Ų69107.2 Ų107.248%0.48358%0.577SS.*Hα-helixtrans-58.5-34.7177.8-173.50000112.7L1116 E1117 R1122 H1123L1116-S1120 PolarHBondContact O-N 3.18Å; E1117-S1120 PolarHBondContact O-N 2.94Å; S1120-R1122 PolarHBondContact O-N 3.35Å; S1120-R1122 VanDerWaalsContact O-N 3.15Å; S1120-H1123 PolarHBondContact O-N 2.91Å
1121S41Very low45.7Very low74 Ų74107.8 Ų107.852%0.51758%0.584SS.*THydrogen-bonded Turntrans-64.8-12.2178.672.50000115.4E1117 H1118 H1119E1117-S1121 WeakPolarHBondContact O-CB 3.44Å; E1117-S1121 PolarHBondContact O-N 2.95Å; E1117-S1121 PolarHBondContact O-OG 3.31Å; H1118-S1121 PolarHBondContact O-OG 2.86Å; H1119-S1121 PolarHBondContact O-N 2.79Å
1122R38.7Very low44.4Very low205 Ų205112.7 Ų112.777%0.77461%0.609SS**THydrogen-bonded Turntrans-91.7-9.1-178.7-66.1-173.2-179.7-153.5-0.1114.6H1119 S1120H1119-R1122 PolarHBondContact O-N 3.48Å; H1119-R1122 VanDerWaalsContact O-N 3.11Å; S1120-R1122 PolarHBondContact O-N 3.35Å; S1120-R1122 VanDerWaalsContact O-N 3.15Å
1123H37Very low43.2Very low154 Ų154122.5 Ų122.571%0.71365%0.645SS**SBendtrans-11419.5-177.3-83.2-94.5000114.6S1120S1120-H1123 PolarHBondContact O-N 2.91Å
1124M30.2Very low41.9Very low154 Ų154126.5 Ų126.576%0.75966%0.664SS**  trans-121.786.9-179.3-73.5-80.49900112.2
1125S36.4Very low40.9Very low116 Ų116123.2 Ų123.281%0.81167%0.665SS**  trans-116.6120.1176.7-68.70000111.6
1126P37.3Very low39.8Very low129 Ų129129.2 Ų129.284%0.83869%0.693SS**  trans-83.1123.5-178.1-14.230.9000115.4
1127S33.6Very low39Very low131 Ų131133.8 Ų133.892%0.91672%0.722SS**  trans11.1133.8153-50.30000123.3
1128G33.3Very low38.3Very low77 Ų77136.3 Ų136.379%0.79473%0.734SS**  trans122139149.600000115.1
1129S38.3Very low37.7Very low101 Ų101134 Ų13471%0.70674%0.738SS**  cis-169.4147.3-8.250.60000110.4
1130E37.9Very low37.2Very low183 Ų183134.9 Ų134.986%0.85575%0.747SS**  trans65.9145157.9-73.1170.6-170.100118
1131D36.7Very low37.1Very low135 Ų135141.3 Ų141.372%0.72276%0.76SS**  cis-163.7-167-14.8-155.9-19.2000109.6
1132I38.5Very low36.9Very low151 Ų151145.3 Ų145.377%0.77477%0.77SS**  trans87.267.1165-39.6-178.1000118.4
1133R36.2Very low36.8Very low214 Ų214146.8 Ų146.881%0.80878%0.778SS**  43148.1108.8-134.8-172.5-164107.81.7123.3
1134M37.6Very low36.6Very low162 Ų162148 Ų14880%0.79878%0.776SS**  trans93.4134.8156.7-61.4161.656.700118.3
1135S39.7Very low36.9Very low84 Ų84147.6 Ų147.659%0.58778%0.776SS**  cis-173.7127.7-16.146.90000113.4
1136E35.2Very low36.6Very low185 Ų185147.7 Ų147.786%0.86476%0.764SS**  trans58.1162.4142.5-53.4171.6148.300118.9
1137T40.8Very low36.5Very low125 Ų125147.3 Ų147.377%0.76776%0.764SS**  cis-149.7170.412.549.10000108.5
1138E37Very low36.3Very low177 Ų177146.8 Ų146.883%0.82776%0.76SS**  cis-174.5168.9-23.2178.4172.6173.800107.2
1139A38.2Very low36.3Very low88 Ų88148 Ų14873%0.72776%0.762SS**  trans79.3145.7164.800000118.9
1140D37.5Very low36Very low119 Ų119147.8 Ų147.864%0.63677%0.767SS**  cis-145.3133.53.8-142.8-1.9000113.9
1141R37.7Very low35.5Very low203 Ų203144.9 Ų144.977%0.76677%0.766SS**  trans21.2152.4145.4-65.8170.7-167.4144.92122.4
1142H36.9Very low35.2Very low159 Ų159144.4 Ų144.474%0.73677%0.773SS**  cis-173.8144.7-19-117.4-35.3000109.1
1143Y35.8Very low34.7Very low236 Ų236145.9 Ų145.993%0.92578%0.777SS**  trans-147.6153.3147.2-131-91.3000109.5
1144R34.7Very low34.4Very low180 Ų180140.4 Ų140.468%0.67977%0.771SS**  trans-153.6147.9-167-178.4-170.3177.1127.3-0.6111.6E1146R1144-E1146 IonicContact CZ-OE1 2.72Å; R1144-E1146 IonicContact NE-OE1 3.66Å; R1144-E1146 PolarHBondContact NE-OE1 2.92Å; R1144-E1146 IonicContact NH2-OE1 2.66Å; R1144-E1146 PolarHBondContact NH2-OE1 3.47Å
1145L36.3Very low34.1Very low145 Ų145137.5 Ų137.576%0.75977%0.767SS**  trans139.8139.3138.6-91.799.8000111.2
1146E30.3Very low33.6Very low118 Ų118142.7 Ų142.755%0.55178%0.782SS**  cis-165.6178.7-23-157.7141.3-115.800109.8R1144R1144-E1146 IonicContact CZ-OE1 2.72Å; R1144-E1146 IonicContact NE-OE1 3.66Å; R1144-E1146 PolarHBondContact NE-OE1 2.92Å; R1144-E1146 IonicContact NH2-OE1 2.66Å; R1144-E1146 PolarHBondContact NH2-OE1 3.47Å
1147S34Very low33.4Very low120 Ų120137.7 Ų137.784%0.83978%0.78SS**  trans88111.2169.5-44.90000116.6
1148S29.6Very low32.9Very low120 Ų120136.4 Ų136.484%0.83978%0.776SS**  trans-139.2177.9171.259.30000109.1
1149A32.6Very low32.5Very low102 Ų102134.4 Ų134.484%0.84377%0.771SS**  trans70.1152.7179.600000115.9
1150A33.2Very low32.4Very low97 Ų97137.8 Ų137.880%0.80277%0.772SS**  cis-163.3169.2-22.900000109.5
1151C26.2Very low32.2Very low123 Ų123139.5 Ų139.583%0.83178%0.776SS**  trans-69143.1172-50.40000112.1
1152S31.9Very low31.9Very low125 Ų125136.3 Ų136.387%0.87477%0.773SS**  trans-172162.1133-83.90000112.7
1153E28Very low32Very low182 Ų182132.4 Ų132.485%0.8576%0.762SS**  trans-85.1174-164.9-54.4172110.100115.7
1154S28.5Very low31.9Very low99 Ų99129.3 Ų129.369%0.69276%0.756SS**  trans87.3107.2139.6-71.70000121.7
1155S31.4Very low31.9Very low101 Ų101125.3 Ų125.371%0.70676%0.755SS**  92.3125.9118.975.70000121.6
1156Q30.5Very low31.9Very low192 Ų192125 Ų12590%0.89775%0.75SS**  trans72.6116143.3-67177.428.700121.9
1157G30.3Very low32.1Very low80 Ų80127.4 Ų127.483%0.82576%0.758SS**  trans85.2162.6143.400000117.3
1158S29.5Very low32.2Very low98 Ų98127.6 Ų127.669%0.68575%0.754SS**  cis-171.8127-16.7149.90000110
1159N30.4Very low32.6Very low136 Ų136125.8 Ų125.873%0.72775%0.747SS**  trans71.4160.2153.5-80.3-60000121.7
1160Q35.5Very low32.6Very low158 Ų158126.2 Ų126.274%0.73874%0.739SS**  trans74.799.6163-74.5149.343.800117.2
1161Q32.5Very low32.7Very low155 Ų155129.8 Ų129.872%0.72474%0.743SS**  77.3138.164.4-72.1179.5-40.100110.4
1162I31Very low33Very low136 Ų136131.1 Ų131.170%0.69774%0.737SS**  cis169.9167.316.1-112.7172.3000105.1
1163P39.2Very low33.1Very low78 Ų78128.7 Ų128.751%0.50672%0.724SS.*  cis-146.8-171.5-25.544.8-26.4000115.7
1164Q33.5Very low33.2Very low171 Ų171124.2 Ų124.280%0.79971%0.713SS**  trans65.1154.8143.1-73.1147.529.900120.4
1165S36.3Very low33.4Very low95 Ų95129.3 Ų129.366%0.66472%0.718SS**  cis-143135.80.1103.10000110.2
1166Q36.1Very low33.3Very low139 Ų139129.4 Ų129.465%0.6572%0.719SS**  63.3139.1103.5-64.2-172.626.200115.2
1167K34.9Very low33.3Very low169 Ų169130.3 Ų130.374%0.73571%0.714SS**  cis-168.1164.516.3-116.5158.8177.1150.50106.4
1168T35.7Very low33.3Very low123 Ų123131.1 Ų131.176%0.75571%0.708SS**  cis-169.5166.4-16.813.60000105.3
1169A36.8Very low33.2Very low82 Ų82132 Ų13268%0.67871%0.712SS**  cis-122.4-165.77.900000109.6
1170T32.6Very low33.1Very low112 Ų112137.2 Ų137.269%0.68772%0.722SS**  cis74.51291712.90000116
1171I36.8Very low33Very low171 Ų171135.4 Ų135.488%0.87772%0.724SS**  cis-102.7147.336.9-64.7173.4000115.1
1172H32.4Very low32.9Very low152 Ų152139.5 Ų139.570%0.70473%0.733SS**  trans-124.7176.2175.8-131.5-96000106.9S1174H1172-S1174 PolarHBondContact CE1-OG 2.9Å; H1172-S1174 PolarHBondContact ND1-OG 3.48Å
1173A32.6Very low33Very low74 Ų74137.2 Ų137.261%0.61273%0.729SS**  cis-150.3153.79.400000107.8
1174S30.9Very low32.7Very low87 Ų87140.7 Ų140.761%0.60874%0.743SS**  50119.570.5-17.10000115H1172H1172-S1174 PolarHBondContact CE1-OG 2.9Å; H1172-S1174 PolarHBondContact ND1-OG 3.48Å
1175Y32.4Very low32.7Very low206 Ų206142.2 Ų142.281%0.80875%0.75SS**  -166.4144120.3-123-88.6000112.1
1176S29Very low32.6Very low104 Ų104144.4 Ų144.473%0.72775%0.75SS**  trans-125.1137.3168.3168.50000108.6
1177R31.9Very low32.5Very low210 Ų210143.7 Ų143.779%0.79276%0.76SS**  trans-169.9115.8157.1-109156.6-155.5-110.62114.3
1178S29.3Very low32.5Very low98 Ų98144 Ų14469%0.68576%0.756SS**  trans59.9124.4131.364.30000122.8
1179C27.1Very low32.4Very low116 Ų116148.1 Ų148.178%0.78477%0.765SS**  89.898.3129.4-70.80000122.5
1180R28.2Very low32.1Very low245 Ų245149.6 Ų149.693%0.92577%0.765SS**  trans79.8152.3131.7-76.9-173.8172.3175.7-1.4119.2
1181P34.7Very low32.2Very low120 Ų120154.3 Ų154.378%0.77978%0.777SS**  trans-104.3159.4-160.539.8-34.4000114.2
1182R30.2Very low31.9Very low242 Ų242149.8 Ų149.891%0.91377%0.772SS**  trans-152.8159.6147.7-133.2176.6177.697.80.3111.6
1183S32.4Very low32Very low88 Ų88146.5 Ų146.562%0.61578%0.779SS**  trans-79.1154.9-176.549.60000113.8
1184D32.5Very low32Very low150 Ų150154.2 Ų154.280%0.80279%0.792SS**  trans35.6123.5138.8-42.9-33000120.3
1185E34.1Very low32.2Very low203 Ų203160 Ų16095%0.94980%0.802SS**  -160.7161.6112-111.6-172.4138.300112.7
1186E33.6Very low32.4Very low142 Ų142160.3 Ų160.366%0.66480%0.802SS**  trans-103.9135.9-173.7-178.6-170.2152.900111.8R1188E1186-R1188 IonicContact OE1-CZ 3.61Å; E1186-R1188 IonicContact OE1-NH2 3.39Å; E1186-R1188 PolarHBondContact OE1-NH2 3.32Å
1187S34.7Very low32.6Very low123 Ų123163.7 Ų163.786%0.8681%0.806SS**  trans-153106.8155.6-33.80000114.7
1188R33.8Very low32.9Very low175 Ų175159.1 Ų159.166%0.6680%0.804SS**  trans-65135.2169.2173-167.5-46.9146.716.2113.1E1186E1186-R1188 IonicContact OE1-CZ 3.61Å; E1186-R1188 IonicContact OE1-NH2 3.39Å; E1186-R1188 PolarHBondContact OE1-NH2 3.32Å
1189F34.1Very low33.1Very low211 Ų211158.7 Ų158.793%0.92581%0.806SS**  trans-146.7141.4152.2-104-73.3000113
1190T31.3Very low33.5Very low113 Ų113158.7 Ų158.769%0.69381%0.808SS**  trans-119.2141.4179.6310000110.7
1191F33.6Very low33.9Very low211 Ų211152.4 Ų152.493%0.92580%0.801SS**  -176.1162.6125.5-118.9-103.9000110.1
1192G30.8Very low33.9Very low75 Ų75150.2 Ų150.277%0.77380%0.801SS**  trans-118.5176.5-17400000115
1193G34.1Very low34.1Very low83 Ų83149 Ų14986%0.85680%0.796SS**  trans-152.4132.6174.400000112.4
1194R33.7Very low34.4Very low236 Ų236152.7 Ų152.789%0.89180%0.803SS**  trans-108.5150.8175.7-65.2175.4172.3179.2-3.6110.3
1195Y35.7Very low34.6Very low209 Ų209149.8 Ų149.882%0.8280%0.8SS**  trans176.3148.4146.7-92.3-49.4000108.7
1196R35.1Very low35.1Very low212 Ų212145.5 Ų145.580%0.879%0.79SS**  cis-157.8157.3-0.6-154.7167.4-153.4160.35111
1197Q33.2Very low35.4Very low176 Ų176146.8 Ų146.882%0.82280%0.795SS**  trans-83.3-172.9166.5-80.1-177.8-23.600110.9
1198P39.4Very low35.6Very low113 Ų113148.5 Ų148.573%0.73479%0.79SS**  cis-155.6158.921.844.7-22000123.1
1199A33.1Very low35.7Very low90 Ų90144.1 Ų144.174%0.74479%0.786SS**  48.1157.5128.200000127
1200S36.2Very low36Very low116 Ų116142.9 Ų142.981%0.81178%0.783SS**  trans88153.6148.778.70000120.6
1201S35.4Very low36.2Very low113 Ų113142.8 Ų142.879%0.7979%0.786SS**  cis-171.7142-32.156.20000114
1202G35.9Very low36.8Very low74 Ų74137.1 Ų137.176%0.76377%0.771SS**  trans78.8175.6161.500000118.2
1203R34.5Very low37.1Very low216 Ų216142.1 Ų142.182%0.81577%0.774SS**  cis-172.8155.2-11.8-134.6178.4-170.3-158.29.3111.4
1204H37.3Very low37.3Very low165 Ų165142.5 Ų142.576%0.76477%0.769SS**  trans66158.3169.2-55.9-70.4000117.4
1205A38.1Very low37.4Very low89 Ų89141.5 Ų141.574%0.73677%0.771SS**  cis-170164.5-26.500000108.7
1206P44.1Very low37.4Very low113 Ų113135.4 Ų135.473%0.73477%0.772SS**  trans-109.3167.3-17040.4-34.6000115.8
1207H39.6Very low37.6Very low170 Ų170133.2 Ų133.279%0.78777%0.77SS**  trans-177.4146.1143.4-102.6-66.7000116.4
1208Q38.4Very low37.9Very low159 Ų159133.1 Ų133.174%0.74377%0.769SS**  trans67.2102.4141.4-76.7163.4-3.800125.2
1209S35.9Very low37.7Very low83 Ų83132.4 Ų132.458%0.5876%0.763SS**  38.3134.6115.358.80000124.3
1210H40Very low38.1Very low185 Ų185135.9 Ų135.986%0.85676%0.764SS**  174178.4112.3-92-65.2000114.7
1211S36.2Very low38.2Very low110 Ų110137.4 Ų137.477%0.76976%0.758SS**  trans-165.7-170.3-172.9-1510000108.2
1212P45.2Very low38.2Very low92 Ų92136.5 Ų136.560%0.59775%0.752SS**  cis-145.3-171.8-0.145.4-25.9000118.1
1213H38.8Very low38.4Very low180 Ų180140.3 Ų140.383%0.83375%0.749SS**  trans66.5142.1153.4-61.6-49.5000123.3
1214A38.4Very low38.6Very low91 Ų91133.9 Ų133.975%0.75274%0.742SS**  154.9125108.700000118.3
1215F35.7Very low38.7Very low216 Ų216134.9 Ų134.995%0.94775%0.747SS**  trans29.2146.9142.8-64.5-86.1000126.7
1216G36Very low38.6Very low80 Ų80133.4 Ų133.483%0.82574%0.74SS**  trans172.5134.7154.200000116.9
1217H38.8Very low38.4Very low167 Ų167137.4 Ų137.477%0.77375%0.748SS**  trans-107.7159.9179.7-86-106.5000113.6
1218H38.1Very low38.2Very low173 Ų173132.9 Ų132.980%0.80174%0.74SS**  174.2-171.3111-95.1-66.9000116
1219T36.7Very low38.1Very low98 Ų98131 Ų13160%0.60174%0.74SS**  trans-137.3-173.9-143.942.90000115.6
1220H40.6Very low38.2Very low164 Ų164135.6 Ų135.676%0.75975%0.752SS**  trans104.5146.2164.3-64.5-79.1000118.5
1221H38Very low37.9Very low147 Ų147130 Ų13068%0.68174%0.744SS**  cis-174.6166.3-27.8-141.8-94.9000112.4
1222S36.8Very low38.3Very low95 Ų95129.9 Ų129.966%0.66474%0.741SS**  trans74.1151.3151.6-64.10000121
1223H39.4Very low38Very low153 Ų153133.7 Ų133.771%0.70875%0.75SS**  cis-171.5162.1-24-128.6-74.1000113
1224A38.2Very low37.7Very low82 Ų82129.7 Ų129.768%0.67874%0.743SS**  trans72157.8149.100000120.4
1225H38.6Very low37.6Very low186 Ų186129.4 Ų129.486%0.86174%0.736SS**  cis-171.3151.6-30.1-107.1-64.9000110.7
1226G36.7Very low37.5Very low57 Ų57127.1 Ų127.159%0.58873%0.727SS**  trans126.6113.7135.300000122.1
1227H40.6Very low37.5Very low197 Ų197131.2 Ų131.291%0.91273%0.725SS**  trans61.7167.2143.6-55.8-81.5000122.4
1228A34.2Very low37.2Very low75 Ų75127.9 Ų127.962%0.6272%0.72SS**  -176.4161-6700000113.4
1229T36.7Very low36.9Very low120 Ų120124.5 Ų124.574%0.73672%0.716SS**  trans91.5145.6153.677.40000122.7
1230H38.6Very low36.7Very low179 Ų179127.9 Ų127.983%0.82972%0.724SS**  trans67.8114.8154.8-62.7-59.9000123.6
1231G32.9Very low36.3Very low67 Ų67125.8 Ų125.869%0.69172%0.724SS**  trans-114.8-147.6135.100000108.7
1232P45.9Very low36.1Very low109 Ų109126.3 Ų126.371%0.70873%0.726SS**  cis-129.5-169.1-18.241-24.6000112.1
1233H37.5Very low35.8Very low171 Ų171128 Ų12879%0.79273%0.727SS**  trans148.3113.1136.7-84.8-72.2000117.1
1234S33.1Very low35.6Very low96 Ų96129.8 Ų129.867%0.67174%0.735SS**  79.2124.4111.4-153.20000123.9
1235S36.4Very low35.3Very low86 Ų86132.6 Ų132.660%0.60174%0.735SS**  81.4116.2126.456.50000124.7
1236H34.8Very low35.3Very low167 Ų167132.7 Ų132.777%0.77374%0.735SS**  trans65161.6134.1-71.8-106.4000118.3
1237H34.6Very low35.4Very low167 Ų167136.4 Ų136.477%0.77374%0.742SS**  cis-147168.111.2-139.2-72.6000111.8
1238S32Very low35.3Very low96 Ų96134.7 Ų134.767%0.67173%0.734SS**  trans-80.3172.6-170.4-33.40000118.1
1239S32Very low35.6Very low103 Ų103134 Ų13472%0.7273%0.734SS**  trans96111.5138.158.50000124
1240H33.1Very low35.7Very low168 Ų168134.5 Ų134.578%0.77873%0.731SS**  76.4124127.3-78.1-64.2000125.2
1241T31.6Very low35.6Very low121 Ų121135.2 Ų135.274%0.74273%0.728SS**  trans73.3153.2141.362.30000119.1
1242H33.6Very low35.8Very low157 Ų157138.7 Ų138.773%0.72773%0.726SS**  cis-158.2159.87.7-148.7-118000112.5
1243L31.7Very low35.2Very low130 Ų130139.2 Ų139.268%0.68173%0.728SS**  trans38.1138.8156.5-86.7175.8000123.5
1244Q34.9Very low35.1Very low191 Ų191135.3 Ų135.389%0.89373%0.725SS**  -164.7-168.396.4-157.9135.86.800111.9
1245Q32.7Very low35.1Very low141 Ų141137.6 Ų137.666%0.65973%0.73SS**  trans-159.9157.4-147.9172.5-173-2.800112.5
1246E37.2Very low35.1Very low188 Ų188141 Ų14188%0.87974%0.736SS**  trans-158.7172.4159.7-115.5160.9-15100111.2
1247D39.2Very low35.1Very low136 Ų136140 Ų14073%0.72773%0.731SS**  trans-128.7-172.8-162.5-44.4-80.7000112.4
1248E39.3Very low35Very low161 Ų161137.9 Ų137.975%0.75272%0.722SS**  cis-169.6171.712.1-150.7-80.699.900109.6
1249G39.3Very low34.9Very low60 Ų60143 Ų14362%0.61973%0.726SS**  trans147.384.4143.100000125.2
1250I38.6Very low34.9Very low130 Ų130146.9 Ų146.967%0.66773%0.733SS**  79116.9120.4-72.1164.2000125.7
1251Y38.2Very low34.9Very low194 Ų194145 Ų14576%0.76173%0.733SS**  trans68.5153.5140.8-80.9-123.3000123.6
1252E35.2Very low35Very low140 Ų140145.7 Ų145.765%0.65474%0.737SS**  cis-170.6144.3-26.6-149.6-169.7-178.100114.2
1253T34.5Very low34.9Very low121 Ų121143.9 Ų143.974%0.74273%0.733SS**  trans54136.9150.5440000127.2
1254A35.3Very low35.1Very low89 Ų89142.5 Ų142.574%0.73674%0.739SS**  123.1111.3127.100000122.2
1255D33.6Very low34.9Very low144 Ų144142.6 Ų142.677%0.7773%0.732SS**  trans64101.7131.5-63.9-7.5000127.1
1256H35.3Very low35Very low158 Ų158144.3 Ų144.373%0.73175%0.745SS**  73.2138.9110.8-91.8-83000127
1257H36Very low34.8Very low144 Ų144142 Ų14267%0.66774%0.738SS**  trans80101.7149.3-81.4-71.6000124.6
1258E30.7Very low34.3Very low124 Ų124140.9 Ų140.958%0.57974%0.74SS**  68.3133.7115.8-110.5-172.3119.700125
1259R30.1Very low34.1Very low204 Ų204141 Ų14177%0.7774%0.74SS**  trans73.5157.7159.1-56.7179.2-167.8-172.46.4115.7
1260Q32Very low33.8Very low183 Ų183146.2 Ų146.286%0.85575%0.748SS**  cis-145.1179.212.8-150.5160.34.100112.8
1261V32.8Very low33.7Very low130 Ų130146.4 Ų146.479%0.78876%0.756SS**  trans-90.6152.1-171.4-176.30000112.6
1262V34.7Very low33.6Very low135 Ų135142.2 Ų142.282%0.81875%0.752SS**  trans169.5113.3130.2156.80000113.9
1263D31.9Very low33.4Very low119 Ų119142.8 Ų142.864%0.63676%0.76SS**  trans26.2123.7140.4-16210.2000122.2R1265D1263-R1265 IonicContact OD1-NH1 3.07Å; D1263-R1265 IonicContact OD2-NH1 3.68Å; D1263-R1265 PolarHBondContact OD2-NH1 3.47Å
1264A35.3Very low33.3Very low100 Ų100141.5 Ų141.583%0.82676%0.756SS**  trans-155.7143.3148.200000111.5
1265R29.8Very low33.6Very low193 Ų193146.4 Ų146.473%0.72876%0.763SS**  trans-97159.1-175.9-65.8164.8167.665.3-3.3113.5D1263D1263-R1265 IonicContact OD1-NH1 3.07Å; D1263-R1265 IonicContact OD2-NH1 3.68Å; D1263-R1265 PolarHBondContact OD2-NH1 3.47Å
1266L35.2Very low34.2Very low178 Ų178142.4 Ų142.493%0.93275%0.747SS**  trans-156.3167.3137.9-109.7160000110.5
1267D33.3Very low34.6Very low140 Ų140139.3 Ų139.375%0.74974%0.736SS**  trans-115.1169.5-135.4-122.3-53.6000117.8
1268C28.4Very low35.3Very low111 Ų111138.9 Ų138.975%0.7574%0.738SS**  trans-84.2167.6-172.5-56.40000114.9
1269H36.1Very low35.9Very low164 Ų164137.2 Ų137.276%0.75973%0.729SS**  trans-151.5135152.4-129.4-100.7000114
1270E33.3Very low36.8Very low170 Ų170131.4 Ų131.479%0.79471%0.713SS**  trans59.4122.2163.7-75.1161.1126.300121.6
1271T35.5Very low37.7Very low134 Ų134128.1 Ų128.182%0.82270%0.697SS**  trans-106-178.6167.554.20000110.6
1272P36.8Very low38.6Very low106 Ų106123.9 Ų123.969%0.68868%0.676SS**  -144.7161.397.939.3-24.7000116.7
1273D31.4Very low39.3Very low151 Ų151122 Ų12281%0.80766%0.658SS**  trans60.186151.2-52.9-18.3000121.2
1274S32.4Very low40.2Very low95 Ų95122.1 Ų122.166%0.66466%0.655SS**  trans-106.597.9158.2-64.90000111.7
1275E40.3Very low41Very low191 Ų191122 Ų12289%0.89364%0.637SS**  trans-89.91.8164.9-78.4-169.6107.400112.8
1276S48Very low41.8Very low61 Ų61117.9 Ų117.943%0.42763%0.629SS.*Hα-helixtrans-72.4-41.7-176.548.30000114.6F1279 I1280S1276-F1279 WeakPolarHBondContact O-CB 3.41Å; S1276-F1279 PolarHBondContact O-N 2.89Å; S1276-F1279 VanDerWaalsContact O-N 3.16Å; S1276-I1280 PolarHBondContact O-N 2.84Å
1277D42.6Very low42.1Very low93 Ų93112.8 Ų112.850%0.49761%0.613SS.*Hα-helixtrans-80.8-30.8-158.1-56.9-13.7000112.2F1279 I1280 Q1281D1277-F1279 VanDerWaalsContact C-N 3.3Å; D1277-F1279 PolarHBondContact O-N 3.37Å; D1277-I1280 PolarHBondContact O-N 3.48Å; D1277-Q1281 PolarHBondContact O-N 3.43Å
1278D50.2Low42.4Very low134 Ų134115.6 Ų115.672%0.71761%0.613SS**Hα-helixtrans-65-33.4169.5-81.8-14000111.7A1282D1278-A1282 VanDerWaalsContact O-CB 3.3Å; D1278-A1282 WeakPolarHBondContact O-CB 3.28Å; D1278-A1282 PolarHBondContact O-N 2.87Å
1279F44.6Very low42.9Very low90 Ų90119.4 Ų119.440%0.39561%0.611SS.*Hα-helixtrans-69.5-38.4175.5-175.1-104.5000111.7S1276 D1277 A1282 Q1283S1276-F1279 WeakPolarHBondContact O-CB 3.41Å; S1276-F1279 PolarHBondContact O-N 2.89Å; S1276-F1279 VanDerWaalsContact O-N 3.16Å; D1277-F1279 VanDerWaalsContact C-N 3.3Å; D1277-F1279 PolarHBondContact O-N 3.37Å; F1279-A1282 PolarHBondContact O-N 3.34Å; F1279-Q1283 HydrophobicContact CE1-CG 4.06Å; F1279-Q1283 HydrophobicContact CZ-CG 4.15Å; F1279-Q1283 PolarHBondContact O-N 2.92Å
1280I48.3Very low43.1Very low82 Ų82115.9 Ų115.942%0.42161%0.611SS.*Hα-helixtrans-67.5-41.9175.6-64.1171.5000110.7S1276 D1277 Q1283 Q1284S1276-I1280 PolarHBondContact O-N 2.84Å; D1277-I1280 PolarHBondContact O-N 3.48Å; I1280-Q1283 PolarHBondContact O-N 3.5Å; I1280-Q1284 WeakPolarHBondContact O-CG 3.4Å; I1280-Q1284 PolarHBondContact O-N 3.33Å
1281Q50.2Low43.4Very low113 Ų113112.7 Ų112.753%0.52861%0.607SS.*Hα-helixtrans-63.9-39.8172.1-73.4-160.633.800112.4D1277 Q1284 Q1285D1277-Q1281 PolarHBondContact O-N 3.43Å; Q1281-Q1284 PolarHBondContact O-N 2.91Å; Q1281-Q1285 WeakPolarHBondContact O-CB 3.33Å; Q1281-Q1285 VanDerWaalsContact O-CG 3.31Å; Q1281-Q1285 WeakPolarHBondContact O-CG 3.1Å; Q1281-Q1285 PolarHBondContact O-N 3.21Å
1282A52Low43.3Very low41 Ų41114 Ų11434%0.33960%0.604SS.*Hα-helixtrans-62.9-41.9175.300000112.2D1278 F1279 Q1285 L1286D1278-A1282 VanDerWaalsContact O-CB 3.3Å; D1278-A1282 WeakPolarHBondContact O-CB 3.28Å; D1278-A1282 PolarHBondContact O-N 2.87Å; F1279-A1282 PolarHBondContact O-N 3.34Å; A1282-Q1285 PolarHBondContact O-N 2.93Å; A1282-L1286 WeakPolarHBondContact O-CB 3.43Å; A1282-L1286 WeakPolarHBondContact O-CG 3.5Å; A1282-L1286 PolarHBondContact O-N 3.44Å
1283Q48.9Very low43.2Very low97 Ų97116.1 Ų116.145%0.45361%0.61SS.*Hα-helixtrans-63.4-42.2172.7-84.2-169.9-21.300112.3F1279 I1280 Q1285 L1286 A1287F1279-Q1283 HydrophobicContact CE1-CG 4.06Å; F1279-Q1283 HydrophobicContact CZ-CG 4.15Å; F1279-Q1283 PolarHBondContact O-N 2.92Å; I1280-Q1283 PolarHBondContact O-N 3.5Å; Q1283-Q1285 VanDerWaalsContact C-N 3.32Å; Q1283-Q1285 PolarHBondContact O-N 3.13Å; Q1283-L1286 PolarHBondContact O-N 3.45Å; Q1283-A1287 VanDerWaalsContact O-CB 3.27Å; Q1283-A1287 WeakPolarHBondContact O-CB 3.44Å; Q1283-A1287 PolarHBondContact O-N 3.19Å
1284Q52.1Low43.3Very low120 Ų120115.6 Ų115.656%0.56161%0.612SS**Hα-helixtrans-68.6-28.7177.6-70.8-176.517.600113.1I1280 Q1281 R1288I1280-Q1284 WeakPolarHBondContact O-CG 3.4Å; I1280-Q1284 PolarHBondContact O-N 3.33Å; Q1281-Q1284 PolarHBondContact O-N 2.91Å; Q1284-R1288 WeakPolarHBondContact O-CG 3.26Å; Q1284-R1288 PolarHBondContact O-N 2.83Å
1285Q51.1Low43.2Very low98 Ų98117 Ų11746%0.45862%0.616SS.*Hα-helixtrans-74.2-44.5171.4-70.4175.928.500111.4Q1281 A1282 Q1283 A1287 R1288 W1289Q1281-Q1285 WeakPolarHBondContact O-CB 3.33Å; Q1281-Q1285 VanDerWaalsContact O-CG 3.31Å; Q1281-Q1285 WeakPolarHBondContact O-CG 3.1Å; Q1281-Q1285 PolarHBondContact O-N 3.21Å; A1282-Q1285 PolarHBondContact O-N 2.93Å; Q1283-Q1285 VanDerWaalsContact C-N 3.32Å; Q1283-Q1285 PolarHBondContact O-N 3.13Å; Q1285-A1287 PolarHBondContact O-N 2.87Å; Q1285-R1288 PolarHBondContact O-N 3.14Å; Q1285-R1288 VanDerWaalsContact O-N 3.09Å; Q1285-W1289 PolarHBondContact O-N 2.91Å
1286L47.1Very low42.6Very low106 Ų106112.9 Ų112.956%0.55561%0.608SS**Hα-helixtrans-61.9-39.9174.6-77.7164.8000112.6A1282 Q1283 R1288 W1289 A1290A1282-L1286 WeakPolarHBondContact O-CB 3.43Å; A1282-L1286 WeakPolarHBondContact O-CG 3.5Å; A1282-L1286 PolarHBondContact O-N 3.44Å; Q1283-L1286 PolarHBondContact O-N 3.45Å; L1286-R1288 PolarHBondContact O-N 2.83Å; L1286-W1289 HydrophobicContact CD2-CE3 4.38Å; L1286-W1289 PolarHBondContact O-N 3.46Å; L1286-W1289 VanDerWaalsContact O-N 3.13Å; L1286-A1290 WeakPolarHBondContact O-CB 3.48Å; L1286-A1290 PolarHBondContact O-N 3.28Å
1287A41.2Very low41.7Very low71 Ų71114.9 Ų114.959%0.58762%0.617SS**Hα-helixtrans-65.5-23.6174.900000113.1Q1283 Q1285Q1283-A1287 VanDerWaalsContact O-CB 3.27Å; Q1283-A1287 WeakPolarHBondContact O-CB 3.44Å; Q1283-A1287 PolarHBondContact O-N 3.19Å; Q1285-A1287 PolarHBondContact O-N 2.87Å
1288R39.8Very low41Very low199 Ų199116.3 Ų116.375%0.75163%0.629SS**Hα-helixtrans-82.8-30170.7-74.2178.8178.2-176.12.5112.9Q1284 Q1285 L1286Q1284-R1288 WeakPolarHBondContact O-CG 3.26Å; Q1284-R1288 PolarHBondContact O-N 2.83Å; Q1285-R1288 PolarHBondContact O-N 3.14Å; Q1285-R1288 VanDerWaalsContact O-N 3.09Å; L1286-R1288 PolarHBondContact O-N 2.83Å
1289W38.6Very low40.1Very low191 Ų191116.6 Ų116.672%0.72364%0.635SS**Hα-helixtrans-81.7-21.2175.8-66-16.7000114Q1285 L1286 S1291Q1285-W1289 PolarHBondContact O-N 2.91Å; L1286-W1289 HydrophobicContact CD2-CE3 4.38Å; L1286-W1289 PolarHBondContact O-N 3.46Å; L1286-W1289 VanDerWaalsContact O-N 3.13Å; W1289-S1291 VanDerWaalsContact C-N 3.26Å; W1289-S1291 PolarHBondContact O-N 2.82Å
1290A41.1Very low39.5Very low90 Ų90119 Ų11974%0.74465%0.652SS**THydrogen-bonded Turntrans-78.7-1179.100000114.8L1286L1286-A1290 WeakPolarHBondContact O-CB 3.48Å; L1286-A1290 PolarHBondContact O-N 3.28Å
1291S38.7Very low38.7Very low103 Ų103122.5 Ų122.572%0.7267%0.672SS**THydrogen-bonded Turntrans-108.75.2-173.5-169.50000114.6W1289W1289-S1291 VanDerWaalsContact C-N 3.26Å; W1289-S1291 PolarHBondContact O-N 2.82Å
1292E34Very low37.8Very low161 Ų161124.8 Ų124.875%0.75268%0.682SS**SBendtrans-130.8160.9178.5-63.3-171.5125.700111
1293D35.6Very low37Very low152 Ų152128.3 Ų128.381%0.81370%0.702SS**  trans6370.5171.6-63.4-12.2000120
1294V32.1Very low36.4Very low140 Ų140129.8 Ų129.885%0.84872%0.72SS**  trans-80.5135.7133.4179.40000108.3
1295V31.1Very low35.5Very low124 Ų124129.9 Ų129.975%0.75273%0.734SS**SBendtrans97.7104.1-178.6-1740000115.7
1296S27.6Very low34.5Very low104 Ų104128.8 Ų128.873%0.72775%0.749SS**  trans15.2124.5142.3-164.50000120.5
1297V28.4Very low33.9Very low103 Ų103130 Ų13062%0.62476%0.761SS**  trans152.9121.1131.2160.80000111.6
1298V27.7Very low33.3Very low123 Ų123135.3 Ų135.375%0.74578%0.775SS**  trans34.2108.8152.4-175.10000118.7
1299V31.6Very low33.1Very low140 Ų140131.6 Ų131.685%0.84878%0.78SS**PPolyproline II helixtrans-91.4127.4157.9177.90000109.9
1300L31.9Very low32.7Very low142 Ų142130.4 Ų130.474%0.74379%0.788SS**PPolyproline II helixtrans-96.5131.7162-96.1160.7000108.2
1301D32.6Very low32.4Very low155 Ų155132 Ų13283%0.82979%0.794SS**PPolyproline II helixtrans-64.7139.3178-108.1-40.6000112.3
1302Q31Very low31.9Very low161 Ų161136.2 Ų136.275%0.75280%0.802SS**  trans-138.4135.2153.9-94.1-163.7-20.600110.5
1303P34.4Very low32Very low115 Ų115134.2 Ų134.275%0.74780%0.803SS**PPolyproline II helixtrans-89.7151.4-164.634.5-36.5000113.9
1304P37Very low31.8Very low128 Ų128136.6 Ų136.683%0.83180%0.802SS**PPolyproline II helixtrans-71.9134.1163.631.4-33.3000110.6
1305S32.2Very low31.9Very low122 Ų122136.7 Ų136.785%0.85380%0.796SS**PPolyproline II helixtrans-84.6121.7-178.657.60000112.9
1306G31.2Very low31.9Very low75 Ų75137.2 Ų137.277%0.77380%0.795SS**  trans-137.5109.8167.300000111
1307T34.5Very low32.3Very low132 Ų132138.7 Ų138.781%0.8180%0.799SS**  trans-97.3121.8-175.851.10000112.2
1308M28.8Very low32.6Very low181 Ų181137 Ų13789%0.89280%0.802SS**  trans-123.5127.9163.2-81.2-82102.200108.6
1309S35Very low33.5Very low122 Ų122137.3 Ų137.385%0.85381%0.806SS**  trans-148.9114.9168.9-71.10000109.3
1310D31.1Very low33.7Very low165 Ų165138.9 Ų138.988%0.88281%0.809SS**  trans-65142.1173.5-79.3-64000112.4
1311S34.8Very low33.9Very low124 Ų124137.9 Ų137.987%0.86781%0.813SS**  trans-171.6102149-84.30000112.3
1312Q27.2Very low34.2Very low191 Ų191133.6 Ų133.689%0.89381%0.806SS**  trans-133.2143.6152.8-92.1-167.2-24.300108.2
1313P36.5Very low34.4Very low119 Ų119130.7 Ų130.777%0.77381%0.809SS**  -146.3174.6104.738.7-24.5000115.7
1314Y31.2Very low34.5Very low203 Ų203132.2 Ų132.280%0.79681%0.81SS**  trans99.7114.6143.4-120.2-125.8000121
1315I34.3Very low34.3Very low141 Ų141130.3 Ų130.372%0.72380%0.804SS**  trans67.9148.5147.7-75-177000118.9
1316D30.2Very low34.5Very low136 Ų136131.6 Ų131.673%0.72780%0.797SS**  cis-179.3174-32.5-171.215.3000106.5
1317V36.3Very low34.8Very low135 Ų135134.6 Ų134.682%0.81879%0.791SS**  trans71.3133.2170.7-166.80000115
1318G34.7Very low34.9Very low66 Ų66134.5 Ų134.568%0.6878%0.781SS**  cis172.61670.600000110.5
1319P46.4Very low35.4Very low130 Ų130132.2 Ų132.284%0.84477%0.768SS**  trans-125.1158.6-150.440.7-28.9000118.1
1320I36.8Very low35.9Very low174 Ų174131.7 Ų131.789%0.89276%0.762SS**  trans-154156.5168.5-44.5175.9000109.1
1321S36.3Very low36.1Very low121 Ų121130.1 Ų130.185%0.84675%0.749SS**  -167.8157-59.1-166.10000110.4
1322G37.8Very low36.1Very low65 Ų65130.5 Ų130.567%0.6774%0.737SS**  trans104.5118.6176.600000113.5
1323A35.9Very low36.5Very low99 Ų99128.2 Ų128.282%0.81873%0.726SS**  cis74.1137.537.200000112.8
1324I36Very low36.3Very low148 Ų148129.4 Ų129.476%0.75972%0.721SS**  cis-144.5131.629.8-69.3172.3000108.7
1325A33.9Very low36.4Very low87 Ų87125.9 Ų125.972%0.71971%0.712SS**  56.2155102.400000117.1
1326Q36.8Very low36.2Very low150 Ų150125.7 Ų125.770%0.70171%0.708SS**  cis-171.4145.137-131.2170.5-13.500112.8
1327Q36.3Very low36.4Very low137 Ų137126 Ų12664%0.6471%0.705SS**  trans64.2152.2138.1-77171.2-24.800122
1328Q36.9Very low36.1Very low131 Ų131126.7 Ų126.761%0.61270%0.7SS**  cis-167.3163.6-3.9-132.4158.5-1300116.2
1329H38.2Very low35.9Very low133 Ų133131.1 Ų131.162%0.61670%0.702SS**  trans70.3153.6157.3-72.8-66.3000120.6H1331H1329-H1331 AromaticContact CE1-NE2 3.5Å; H1329-H1331 PolarHBondContact CE1-NE2 3Å; H1329-H1331 AromaticContact ND1-CD2 3.6Å; H1329-H1331 AromaticContact ND1-NE2 3.28Å; H1329-H1331 PolarHBondContact ND1-NE2 2.94Å
1330P46.2Very low35.2Very low110 Ų110131.4 Ų131.471%0.71469%0.693SS**  cis-132.2145.7-5.335.7-17.1000118.1
1331H35.6Very low34.9Very low133 Ų133130.2 Ų130.262%0.61668%0.683SS**  48.1146.7129.8-64-77.5000124.1H1329H1329-H1331 AromaticContact CE1-NE2 3.5Å; H1329-H1331 PolarHBondContact CE1-NE2 3Å; H1329-H1331 AromaticContact ND1-CD2 3.6Å; H1329-H1331 AromaticContact ND1-NE2 3.28Å; H1329-H1331 PolarHBondContact ND1-NE2 2.94Å
1332Q33.8Very low34.9Very low131 Ų131133 Ų13361%0.61268%0.683SS**  cis-176.1157.3-21.2-134.1-178.6-24.200112.7
1333Q35.7Very low35Very low144 Ų144134.5 Ų134.567%0.67368%0.68SS**  trans59.6178.2147.7-79.9165.8-22.700120.2
1334Q33.8Very low35Very low143 Ų143136.8 Ų136.867%0.66867%0.674SS**  -172.4144.7-64.4-111.7-172.9-20.800110.4
1335Q31.6Very low34.8Very low129 Ų129136.2 Ų136.260%0.60367%0.668SS**  trans65.3124.3143.6-67.4-173.535.200122.9
1336Q31.8Very low34.9Very low138 Ų138139 Ų13965%0.64567%0.666SS**  82.9141.7126.4-74.7-16861.500123.4
1337Q32.6Very low34.8Very low141 Ų141138.6 Ų138.666%0.65966%0.664SS**  trans79.3122.3145.5-76.2179.261.500122.6
1338Q31.3Very low34.6Very low151 Ų151135.1 Ų135.171%0.70667%0.665SS**  60.8114.6127.5-62.3-176.335.200122.1
1339Q30.4Very low34.4Very low158 Ų158134.2 Ų134.274%0.73866%0.664SS**  51.3136.9119.2-70.6-166.71700123
1340Q30.8Very low34.2Very low136 Ų136134.7 Ų134.764%0.63667%0.667SS**  trans85.4112.5143.8-75.217972.700121
1341Q31.5Very low33.7Very low150 Ų150136 Ų13670%0.70166%0.663SS**  73.1116.7129-62.717424.900120.7
1342H35.2Very low33.6Very low179 Ų179136.9 Ų136.983%0.82967%0.667SS**  41.5163.6120.2-66-59.4000122.3
1343P40Very low33.5Very low96 Ų96135.2 Ų135.262%0.62367%0.67SS**  cis-117.8-166.7-8.417.79.2000109.9
1344H36.9Very low33.4Very low148 Ų148134 Ų13469%0.68568%0.677SS**  cis-134.1155.913.3-86.2-83000108.8
1345Q32.3Very low33.3Very low136 Ų136131.6 Ų131.664%0.63668%0.682SS**  56.7125.171.1-116.5174.2-1.700111.3
1346H35.9Very low33.2Very low144 Ų144130.6 Ų130.667%0.66770%0.696SS**  cis-133.7156.529.2-95.4-104.1000114.6
1347H34.1Very low33.3Very low142 Ų142128.6 Ų128.666%0.65770%0.703SS**  trans22149.6130.1-62.5-111.9000120.5D1349H1347-D1349 IonicContact CE1-OD2 3.07Å; H1347-D1349 IonicContact CG-OD2 2.74Å; H1347-D1349 IonicContact ND1-OD2 3.02Å; H1347-D1349 PolarHBondContact ND1-OD2 3.1Å
1348G32Very low33.4Very low65 Ų65127.2 Ų127.267%0.6772%0.716SS**  cis-154.6156.813.500000111.7
1349D32.7Very low33.7Very low112 Ų112123.6 Ų123.660%0.59972%0.718SS**  95.5108.670-76-44.1000110.8H1347H1347-D1349 IonicContact CE1-OD2 3.07Å; H1347-D1349 IonicContact CG-OD2 2.74Å; H1347-D1349 IonicContact ND1-OD2 3.02Å; H1347-D1349 PolarHBondContact ND1-OD2 3.1Å
1350H33.5Very low34Very low143 Ų143122.1 Ų122.166%0.66273%0.726SS**  trans65.9162.2142.4-73-80.2000119.4
1351H35.6Very low34.4Very low136 Ų136119.3 Ų119.363%0.6373%0.733SS**  cis-131.4150-12.9-104.6-70.5000105.1
1352Q33.6Very low34.7Very low153 Ų153118.2 Ų118.272%0.71574%0.742SS**  41.814982.4-63.4-179.7-800114.4
1353S33.3Very low34.9Very low96 Ų96113.3 Ų113.367%0.67174%0.74SS**  cis178.7-154.5-11.4-87.50000103.9
1354S32.2Very low34.9Very low118 Ų118115.7 Ų115.783%0.82575%0.752SS**  trans79.3148.9147.885.40000116.8
1355A31.7Very low35Very low92 Ų92113.1 Ų113.176%0.7676%0.757SS**  cis-168.1165-20.100000109.4
1356A30.6Very low35.3Very low109 Ų109111.2 Ų111.290%0.90176%0.764SS**  trans-161.975.2145.500000112.4
1357A33.4Very low35.4Very low95 Ų95109 Ų10979%0.78577%0.771SS**SBendtrans-148.783.3166.600000112.1
1358A35.5Very low35.5Very low113 Ų113108.4 Ų108.493%0.93478%0.777SS**  trans55.1130.6163.600000120.5
1359G35.8Very low35.8Very low74 Ų74110.4 Ų110.476%0.76378%0.781SS**  trans153.567.3161.700000119.5
1360S37.5Very low36Very low128 Ų128111.4 Ų111.490%0.89579%0.791SS**  trans30.9126.7148.558.80000122.8
1361G38.5Very low36.1Very low76 Ų76108.7 Ų108.778%0.78479%0.793SS**  trans150.271.6149.800000121.6
1362S39.2Very low36.1Very low128 Ų128109.3 Ų109.390%0.89580%0.801SS**  trans5.7132.4152.756.40000123.7
1363G39.6Very low36.2Very low76 Ų76107.3 Ų107.378%0.78480%0.804SS**  trans152.285.5142.400000124
1364V39.4Very low36.1Very low145 Ų145108.2 Ų108.288%0.87981%0.811SS**  trans53.2100.8138-168.30000123.9
1365A38.5Very low36.3Very low95 Ų95111 Ų11179%0.78581%0.814SS**  64.6137.9125.800000128.1
1366A38.9Very low36.3Very low96 Ų96115.5 Ų115.579%0.79382%0.822SS**  trans103.586.7132.400000125.4
1367A38.2Very low36.4Very low96 Ų96115.1 Ų115.179%0.79382%0.819SS**  68154.2121.600000127
1368T36.7Very low36.2Very low130 Ų130118.9 Ų118.980%0.79883%0.825SS**  trans97.482.4156.467.10000125
1369S37.1Very low36.3Very low107 Ų107118.5 Ų118.575%0.74881%0.813SS**  60.2139.9112.669.70000127.2
1370V37.3Very low36.2Very low133 Ų133122.6 Ų122.681%0.80682%0.816SS**  trans109.8103.6144.7-1700000122
1371A36.6Very low36Very low86 Ų86122.3 Ų122.371%0.71181%0.808SS**  trans64.8150.3134.600000128
1372N35.7Very low35.9Very low150 Ų150124.4 Ų124.480%0.80281%0.808SS**  trans86.4113147.5-79.110.8000125.2
1373S35.2Very low35.7Very low110 Ų110125.5 Ų125.577%0.76980%0.804SS**  85.9138123.9-580000123.7
1374S31.6Very low35.3Very low116 Ų116125.4 Ų125.481%0.81180%0.802SS**  trans-66.2160.9-170-32.50000119.2
1375I35.3Very low34.8Very low176 Ų176126.9 Ų126.990%0.90380%0.803SS**  trans-166.5160.6140.5-103154.3000110.6
1376M31.4Very low34.5Very low186 Ų186127 Ų12792%0.91680%0.799SS**  trans-100.5150.6-169-58.3-156.8-65.500115.9
1377A33Very low34Very low102 Ų102129.5 Ų129.584%0.84380%0.804SS**  trans-160.5153.1149.600000112.3
1378L29.8Very low33.7Very low173 Ų173129.4 Ų129.491%0.90680%0.797SS**  trans-141.4175.3178.7-87173.4000107.9
1379P37.8Very low33.4Very low105 Ų105131.8 Ų131.868%0.68280%0.799SS**  cis-130-170.9-15.834.9-15.6000112.7
1380I32.9Very low33Very low161 Ų161137.1 Ų137.183%0.82680%0.803SS**  178.1145.3122.9-91.7159.4000110.4
1381V32.9Very low32.6Very low122 Ų122138.2 Ų138.274%0.73981%0.805SS**  trans-138.5146.8-178.8174.80000109.3
1382P37Very low32.2Very low120 Ų120143.1 Ų143.178%0.77981%0.806SS**  trans-110.9131.4156.934.5-25000112.7
1383N34.2Very low32Very low151 Ų151146.4 Ų146.481%0.80781%0.809SS**  trans-46.8156.3176.6-47-19.1000114.4
1384G32.4Very low31.9Very low73 Ų73146 Ų14675%0.75380%0.804SS**  cis97.185.25.900000113.8
1385I29Very low31.7Very low176 Ų176145.3 Ų145.390%0.90380%0.798SS**  trans-108.6110.7157.3-63.3179.6000106.7
1386S32.5Very low31.8Very low99 Ų99142.6 Ų142.669%0.69279%0.792SS**  trans-121.1127.1171.2166.60000107S1388S1386-S1388 PolarHBondContact O-N 3.44Å; S1386-S1388 VanDerWaalsContact O-N 3.1Å
1387V28.4Very low31.8Very low147 Ų147139.4 Ų139.489%0.89179%0.786SS**  trans-81.480.2164.8-177.20000106.6Q1389V1387-Q1389 PolarHBondContact O-N 3.31Å
1388S32Very low31.5Very low94 Ų94139.7 Ų139.766%0.65778%0.781SS**  trans-72.9120.3172.8-1700000108.5S1386S1386-S1388 PolarHBondContact O-N 3.44Å; S1386-S1388 VanDerWaalsContact O-N 3.1Å
1389Q30Very low31.6Very low180 Ų180137.6 Ų137.684%0.84178%0.776SS**  trans-51.8143.2153.7-83.9171.5-54.800108.3V1387V1387-Q1389 PolarHBondContact O-N 3.31Å
1390R29.1Very low31.2Very low220 Ų220140.7 Ų140.783%0.8378%0.781SS**  trans-112.193.9-175.2-153.9177.4-163.7162.93.4107.6Y1392R1390-Y1392 PolarHBondContact O-N 2.91Å
1391D27.3Very low31.2Very low156 Ų156138.5 Ų138.583%0.83478%0.775SS**  trans-52.7111.9166.4-71.1-56.9000108.5
1392Y29.5Very low31.1Very low188 Ų188140.8 Ų140.874%0.73778%0.778SS**  trans-14087.6176.6-144.1-91.1000108.3R1390 P1394R1390-Y1392 PolarHBondContact O-N 2.91Å; Y1392-P1394 HydrophobicContact CD1-CG 4.46Å; Y1392-P1394 WeakPolarHBondContact O-CD 3.26Å
1393Y30.4Very low30.8Very low220 Ų220139.9 Ų139.986%0.86377%0.774SS**  trans-80.4118165.3-102.8-95.7000109.4
1394P32.9Very low30.6Very low102 Ų102138.7 Ų138.766%0.66278%0.778SS**  trans-122.196.3153.537.1-29.4000111.4Y1392Y1392-P1394 HydrophobicContact CD1-CG 4.46Å; Y1392-P1394 WeakPolarHBondContact O-CD 3.26Å
1395S28.6Very low30.6Very low100 Ų100138.8 Ų138.870%0.69978%0.779SS**  trans-65.6164.1142.9-41.20000108.7
1396P36.5Very low30.7Very low119 Ų119135.6 Ų135.677%0.77377%0.772SS**  cis-126.7-157.97.745.9-28.7000110.2
1397P31.7Very low30.5Very low120 Ų120136 Ų13678%0.77977%0.771SS**  cis-130.1168.7-2.542.3-26000116.7
1398S26.1Very low30.7Very low107 Ų107137 Ų13775%0.74877%0.769SS**  trans-78.9136.5174.3-41.10000113
1399T33.2Very low30.7Very low129 Ų129139 Ų13979%0.79177%0.768SS**  trans-144.4109.5145.251.70000104.2
1400E28.3Very low31.1Very low171 Ų171135.8 Ų135.880%0.79976%0.763SS**  47.6117.771.6-56-169.1155.700110.1
1401T33Very low31.5Very low114 Ų114130.3 Ų130.370%0.69976%0.756SS**  cis-149150.24447.70000114.7
1402E30.8Very low31.6Very low171 Ų171130.3 Ų130.380%0.79975%0.754SS**  trans45.1122.7136.8-57.3173.3116.200120
1403S31.3Very low31.8Very low100 Ų100133.4 Ų133.470%0.69976%0.764SS**  cis91.6144.629.299.90000116.8
1404S30.1Very low31.9Very low127 Ų127134.6 Ų134.689%0.88877%0.767SS**  trans67.6156.1170.2-520000115.9
1405G31.4Very low31.9Very low75 Ų75133.3 Ų133.377%0.77377%0.772SS**  cis150.8163.53.700000108.5
1406S31.1Very low32Very low109 Ų109136.1 Ų136.176%0.76278%0.779SS**  cis-161.5162.1-14.473.40000110.6
1407V29.1Very low31.9Very low108 Ų108140.1 Ų140.166%0.65579%0.787SS**  trans28.5132.3144.4-1780000121.3Q1409V1407-Q1409 HydrophobicContact CG1-CG 4.2Å
1408I31.9Very low31.9Very low167 Ų167139.6 Ų139.686%0.85679%0.787SS**  trans-129112.1145-60.1179.8000110
1409Q32.3Very low32.1Very low135 Ų135139.3 Ų139.363%0.63179%0.791SS**  trans-93.5153.4158.2-69.5-172.9-10.400109.1V1407V1407-Q1409 HydrophobicContact CG1-CG 4.2Å
1410P38.1Very low32Very low114 Ų114138.2 Ų138.274%0.7479%0.794SS**  -155.9-162.393.640-17.5000113.5
1411P37.1Very low32.1Very low105 Ų105134.7 Ų134.768%0.68279%0.794SS**  -132.5154.4-68.239.5-24.5000115.4
1412I30.6Very low31.9Very low156 Ų156134.7 Ų134.780%0.881%0.806SS**  trans37.3115.4140.2-50.4169.8000119.2
1413R32.9Very low32Very low252 Ų252131.3 Ų131.395%0.95181%0.807SS**  trans-150.5138.2135.6-119.9177.1-171.1-162.21.4113.4
1414R32Very low32.2Very low246 Ų246130.4 Ų130.493%0.92881%0.806SS**  trans-85.5146.8178.7-67.6175.3172.6163.2-4.1111.6
1415G34.6Very low32.4Very low74 Ų74128.7 Ų128.776%0.76380%0.799SS**  trans-164.1120.2164.400000111.5
1416L30.7Very low32.6Very low160 Ų160128.8 Ų128.884%0.83879%0.793SS**  trans-85134.2173.5-83.268.5000110.3
1417Q33.5Very low33Very low202 Ų202129.7 Ų129.794%0.94479%0.789SS**  trans-162168.1134.8-114.3144.595.800111.7
1418S31.7Very low33.6Very low110 Ų110129.2 Ų129.277%0.76979%0.787SS**  trans-127.2152.5-15354.30000114.6
1419A31.4Very low33.8Very low101 Ų101124 Ų12484%0.83577%0.769SS**  trans67.8111.1154.200000119.3
1420A30.6Very low34Very low105 Ų105120.7 Ų120.787%0.86877%0.765SS**  -17797.7127.800000111.7
1421A30.6Very low34.1Very low97 Ų97121.2 Ų121.280%0.80276%0.76SS**  trans-156.624.2171.800000114.7A1423A1421-A1423 PolarHBondContact O-N 3.49Å
1422A29.1Very low34.2Very low114 Ų114119.3 Ų119.394%0.94275%0.749SS**  trans-81.479.4-179.600000111.4
1423A32.8Very low34.6Very low100 Ų100118.9 Ų118.983%0.82674%0.744SS**SBendtrans-149.6-0.7-177.600000116.5A1421A1421-A1423 PolarHBondContact O-N 3.49Å
1424A33.7Very low34.9Very low82 Ų82112.8 Ų112.868%0.67873%0.726SS**SBendtrans-126.515.3-169.100000115.1
1425A35.4Very low35.4Very low90 Ų90108 Ų10874%0.74471%0.714SS**  trans-101.917.2-171.800000114.6
1426A36.3Very low35.7Very low77 Ų77109.1 Ų109.164%0.63670%0.7SS**SBendtrans-95.3-45.2-179.600000112.6
1427D37.8Very low36.1Very low128 Ų128108.2 Ų108.268%0.68469%0.691SS**THydrogen-bonded Turntrans-78.3-24.1-173.2-57.4-59.9000113.6A1429 A1430D1427-A1429 VanDerWaalsContact C-N 3.32Å; D1427-A1429 PolarHBondContact O-N 2.93Å; D1427-A1430 PolarHBondContact O-N 3.36Å
1428T41.8Very low36.6Very low98 Ų98102.3 Ų102.360%0.60167%0.666SS**Hα-helixtrans-72.6-19.918030.70000114.2
1429A37.5Very low37.1Very low59 Ų59103.9 Ų103.949%0.48866%0.661SS.*Hα-helixtrans-74.2-25.4174.600000113D1427 S1432D1427-A1429 VanDerWaalsContact C-N 3.32Å; D1427-A1429 PolarHBondContact O-N 2.93Å; A1429-S1432 PolarHBondContact O-OG 3.23Å
1430A36.7Very low37.4Very low65 Ų65103.7 Ų103.754%0.53765%0.645SS.*Hα-helixtrans-75.5-37.6177.600000112.2D1427 H1434D1427-A1430 PolarHBondContact O-N 3.36Å; A1430-H1434 PolarHBondContact O-N 3.28Å
1431L39.3Very low37.8Very low124 Ų124105.8 Ų105.865%0.64964%0.641SS**Hα-helixtrans-68.9-38.8179.6-86.279.6000112.7Q1433 H1434 Q1435L1431-Q1433 PolarHBondContact O-N 3.38Å; L1431-H1434 PolarHBondContact O-N 3.41Å; L1431-Q1435 PolarHBondContact O-N 2.61Å
1432S39.4Very low38Very low65 Ų65106.3 Ų106.346%0.45563%0.627SS.*Hα-helixtrans-67.9-36-178.862.50000112.9A1429 Q1435 Q1436A1429-S1432 PolarHBondContact O-OG 3.23Å; S1432-Q1435 PolarHBondContact O-N 2.99Å; S1432-Q1436 PolarHBondContact O-N 3.47Å; S1432-Q1436 VanDerWaalsContact O-N 3.11Å
1433Q39.8Very low38.3Very low147 Ų147107.9 Ų107.969%0.68762%0.619SS**Hα-helixtrans-65-39.4171.6-72.8-167.4-22.600112.1L1431 Q1435 Q1436 Q1437L1431-Q1433 PolarHBondContact O-N 3.38Å; Q1433-Q1435 VanDerWaalsContact C-N 3.34Å; Q1433-Q1435 PolarHBondContact O-N 3.23Å; Q1433-Q1436 PolarHBondContact O-N 2.99Å; Q1433-Q1437 PolarHBondContact O-N 3.45Å
1434H38.1Very low38.4Very low124 Ų124108.4 Ų108.457%0.57461%0.614SS**Hα-helixtrans-67.3-36.5178.4-155.442.3000112A1430 L1431 Q1437A1430-H1434 PolarHBondContact O-N 3.28Å; L1431-H1434 PolarHBondContact O-N 3.41Å; H1434-Q1437 PolarHBondContact O-N 2.89Å
1435Q42.2Very low38.3Very low146 Ų146112.6 Ų112.668%0.68262%0.623SS**Hα-helixtrans-71.8-35.3178.6-156.3167.115.600112.9L1431 S1432 Q1433 Q1437L1431-Q1435 PolarHBondContact O-N 2.61Å; S1432-Q1435 PolarHBondContact O-N 2.99Å; Q1433-Q1435 VanDerWaalsContact C-N 3.34Å; Q1433-Q1435 PolarHBondContact O-N 3.23Å; Q1435-Q1437 VanDerWaalsContact C-N 3.34Å
1436Q40.8Very low38.2Very low98 Ų98118.1 Ų118.146%0.45863%0.626SS.*Hα-helixtrans-69.6-27.4172.8-75.6-168.1-16.400113.6S686 S1432 Q1433S686-Q1436 VanDerWaalsContact CB-OE1 3.26Å; S686-Q1436 PolarHBondContact OG-OE1 3.26Å; S686-Q1436 VanDerWaalsContact OG-OE1 3.08Å; S1432-Q1436 PolarHBondContact O-N 3.47Å; S1432-Q1436 VanDerWaalsContact O-N 3.11Å; Q1433-Q1436 PolarHBondContact O-N 2.99Å
1437Q39.9Very low37.8Very low140 Ų140122.4 Ų122.465%0.65463%0.633SS**Hα-helixtrans-78.9-21.9-177.4-162.5160.73100113.8Q1433 H1434 Q1435Q1433-Q1437 PolarHBondContact O-N 3.45Å; H1434-Q1437 PolarHBondContact O-N 2.89Å; Q1435-Q1437 VanDerWaalsContact C-N 3.34Å
1438L43.9Very low37.5Very low79 Ų79125.5 Ų125.541%0.41464%0.643SS.*Hα-helixtrans-75.4-36.9176.1-84.1157.8000113.1L1440 L1441L1438-L1440 PolarHBondContact O-N 2.91Å; L1438-L1440 VanDerWaalsContact O-N 3.15Å; L1438-L1441 PolarHBondContact O-N 2.92Å
1439Q41.5Very low37Very low143 Ų143127.8 Ų127.867%0.66865%0.647SS**G310 helixtrans-66.6-15.6-179.1-71.5-176.4-35.200114.1
1440L39.3Very low36.8Very low97 Ų97131.4 Ų131.451%0.50867%0.665SS.*G310 helixtrans-86.30.6176.5-80168.2000114.6N685 L1438N685-L1440 HydrophobicContact CB-CD1 3.86Å; L1438-L1440 PolarHBondContact O-N 2.91Å; L1438-L1440 VanDerWaalsContact O-N 3.15Å
1441L38.1Very low36.5Very low149 Ų149135.3 Ų135.378%0.7867%0.672SS**G310 helixtrans-104.6-0.1175.9-76165.1000113.8L1438L1438-L1441 PolarHBondContact O-N 2.92Å
1442Q35.5Very low36.3Very low108 Ų108138.5 Ų138.551%0.50568%0.684SS.*  trans-11361.8-177.7-66.5174.5-48.300112.3V486V486-Q1442 VanDerWaalsContact CG1-NE2 3.26Å
1443L34.4Very low35.9Very low146 Ų146143.2 Ų143.276%0.76470%0.698SS**  trans-110.4119.5165.6-86.7166.9000109.5I1445L1443-I1445 PolarHBondContact O-N 3.24Å
1444P35.1Very low35.6Very low111 Ų111145.1 Ų145.172%0.72171%0.707SS**  trans-72.9120.2-172.728-34000111.4Y1446P1444-Y1446 VanDerWaalsContact C-N 3.35Å; P1444-Y1446 PolarHBondContact O-N 2.97Å
1445I32Very low35.3Very low170 Ų170147.5 Ų147.587%0.87272%0.718SS**  trans-77.287.5175.2-56.8-179000109.2L1443L1443-I1445 PolarHBondContact O-N 3.24Å
1446Y32.5Very low35.2Very low206 Ų206144.8 Ų144.881%0.80871%0.713SS**  trans-66.2151.4168.9-129.1-96.4000111.1P1444P1444-Y1446 VanDerWaalsContact C-N 3.35Å; P1444-Y1446 PolarHBondContact O-N 2.97Å
1447Q28.6Very low34.9Very low167 Ų167147.3 Ų147.378%0.7873%0.725SS**  trans-61.2140.4-175.7-58.1169.2-14.600113.2
1448Q31.3Very low34.6Very low193 Ų193148 Ų14890%0.90273%0.728SS**  -168.6163.8126.5-107.5161.565.800115.9
1449H31.8Very low34.2Very low146 Ų146150.1 Ų150.168%0.67675%0.749SS**  trans-62.7147.5-169.6-76.7-116.7000115.8H1451H1449-H1451 VanDerWaalsContact C-N 3.29Å; H1449-H1451 HydrophobicContact CB-CB 4.36Å; H1449-H1451 AromaticContact CG-CD2 3.94Å; H1449-H1451 AromaticContact ND1-CD2 3.59Å; H1449-H1451 AromaticContact ND1-NE2 3.86Å; H1449-H1451 PolarHBondContact O-N 3.24Å
1450P32.4Very low34Very low135 Ų135146.3 Ų146.388%0.87775%0.749SS**  trans-75.779.8154.533.6-33000110.6
1451H31.4Very low34Very low147 Ų147148.7 Ų148.768%0.68176%0.762SS**  trans-115101.9169.4-96.7-52.7000110.9H1449H1449-H1451 VanDerWaalsContact C-N 3.29Å; H1449-H1451 HydrophobicContact CB-CB 4.36Å; H1449-H1451 AromaticContact CG-CD2 3.94Å; H1449-H1451 AromaticContact ND1-CD2 3.59Å; H1449-H1451 AromaticContact ND1-NE2 3.86Å; H1449-H1451 PolarHBondContact O-N 3.24Å
1452Q33.5Very low34Very low192 Ų192147.9 Ų147.990%0.89776%0.764SS**  trans-15199.9156.2-117.117236.800112.2
1453H31.5Very low34.2Very low164 Ų164147.9 Ų147.976%0.75978%0.775SS**  trans-66.9138.5140.8-73.9-101.5000107.2
1454H33.8Very low34.5Very low186 Ų186145.6 Ų145.686%0.86177%0.771SS**  -177.8130.8106.3-102.3-79.8000114.7
1455H32.8Very low34.8Very low174 Ų174145 Ų14581%0.80677%0.77SS**  trans-70.5177.3158.1-110.7-21.4000111.1
1456P39.1Very low35.2Very low89 Ų89143.6 Ų143.658%0.57876%0.764SS**  cis-142.4-153.8-1028.9-2000113.7
1457Q33.8Very low35.5Very low152 Ų152140.5 Ų140.571%0.7176%0.762SS**  trans83.4143.9151.1-74176.9-87.200120
1458Q33.6Very low36Very low153 Ų153136.2 Ų136.272%0.71575%0.75SS**  cis-166.2174.8-19.4-132.9167.5-1.200112.3
1459S37Very low36.4Very low124 Ų124135.5 Ų135.587%0.86775%0.747SS**  trans67.2149.4178.972.70000116
1460G36.1Very low36.5Very low64 Ų64133.2 Ų133.266%0.6675%0.747SS**  cis-176.9156.5-7.500000107.3
1461D39Very low36.6Very low146 Ų146135 Ų13578%0.78174%0.744SS**  cis-155.21609.9-78.6-44.1000111.1
1462T39.5Very low36.7Very low133 Ų133135.9 Ų135.982%0.81675%0.748SS**  trans49.4139.7153.354.80000120.8
1463S39.3Very low36.8Very low107 Ų107133.9 Ų133.975%0.74874%0.742SS**  cis179.8166350.90000107.4
1464S40.4Very low36.8Very low98 Ų98131.5 Ų131.569%0.68573%0.734SS**  cis-170.9163.9-14.2450000109.2
1465S41Very low37Very low99 Ų99130.2 Ų130.269%0.69273%0.729SS**  trans69.8144.9162.371.60000118.9
1466N41.4Very low37Very low140 Ų140128.6 Ų128.675%0.74973%0.726SS**  cis-164.1150.9-12.6-105.5-10.8000110.4
1467N38.8Very low36.8Very low141 Ų141127.5 Ų127.575%0.75473%0.73SS**  trans62.1148.5153.5-66.41.5000119.3
1468S39.6Very low36.8Very low78 Ų78126.6 Ų126.655%0.54574%0.739SS.*  cis-166.3140.7-11-101.90000110.8
1469Q38Very low36.8Very low177 Ų177129.3 Ų129.383%0.82775%0.745SS**  trans57.5155.5134.6-61.8178.5-30.900120.6
1470S35.1Very low36.9Very low98 Ų98129 Ų12969%0.68574%0.74SS**  cis-172.3-178.3-20.4-92.50000108.3
1471E34.6Very low36.8Very low174 Ų174132.7 Ų132.781%0.81374%0.74SS**  trans69.4104.9164.9-49.8-174.913400115.9
1472Q33.5Very low36.6Very low164 Ų164136.6 Ų136.677%0.76675%0.745SS**  cis68.781.9-1.2-160-172.243.200118.4I1474Q1472-I1474 HydrophobicContact CG-CD1 3.5Å; Q1472-I1474 HydrophobicContact CG-CG1 4.09Å
1473I34.2Very low36.3Very low150 Ų150138.7 Ų138.777%0.76974%0.743SS**  trans-151.3115.7150.8-63.5-171.6000104.4
1474I33.3Very low35.8Very low115 Ų115145.8 Ų145.859%0.5976%0.764SS**  cis79.5147.728.8-48.1-173.7000113.4Q1472Q1472-I1474 HydrophobicContact CG-CD1 3.5Å; Q1472-I1474 HydrophobicContact CG-CG1 4.09Å
1475E36.2Very low35.5Very low159 Ų159148.2 Ų148.274%0.74377%0.768SS**  trans85.6144170.9-57.2-144.296.800119.2
1476N34.1Very low35.3Very low140 Ų140150.8 Ų150.875%0.74977%0.772SS**  cis-166.4158.4-32.8-113.4-26000111.1
1477G34.2Very low34.9Very low65 Ų65151.4 Ų151.467%0.6777%0.773SS**  trans91.4147164.400000116.6
1478C33.9Very low34.7Very low133 Ų133152 Ų15290%0.89977%0.774SS**  cis-149.3156.8-3.6-93.90000112.3
1479Y33.7Very low34.4Very low211 Ų211156.6 Ų156.683%0.82779%0.788SS**  trans-61.2157170.6-93.1-93.4000112.6
1480P38.6Very low34.1Very low118 Ų118155.3 Ų155.377%0.76679%0.786SS**  -137.7165.672.838.9-23.3000117
1481E35.3Very low34.1Very low140 Ų140159.4 Ų159.465%0.65479%0.793SS**  trans-63.8156.5166.5-65.9166.381.100112.5
1482Y33.5Very low34Very low228 Ų228158.2 Ų158.289%0.89479%0.791SS**  trans-129.9124.2139.3-106.1-93.1000108.3
1483K33.4Very low34.1Very low177 Ų177157.8 Ų157.877%0.7779%0.793SS**  trans-82130160.3-78.5-175.9175.3-178.70108.3
1484H28.3Very low34Very low257 Ų257158.5 Ų158.5100%1.1980%0.796SS**  trans-152.20140.5-131.7-51000111.5

Retrieved 1,484 of 1,484 residues in 567.9 ms (Link to these results)

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